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 2j9p_1_A DATA FIRST_RESID 5 DATA SEQUENCE DALSGQIDKI LADHPALEGA MAGITVRSAE TGAVLYEHSG DTRMRPASSL DATA SEQUENCE KLLTAAAALS VLGENYSFTT EVRTDGTLKG KKLNGNLYLK GKGDPTLLPS DATA SEQUENCE DFDKMAEILK HSGVKVIKGN LIGDDTWHDD MRLSPDMPWS DEYTYYGAPI DATA SEQUENCE SALTASPNED YDAGTVIVEV TPNQKEGEEP AVSVSPKTDY ITIKNDAKTT DATA SEQUENCE AAGSEKDLTI EREHGTNTIT IEGSVPVDAN KTKEWISVWE PAGYALDLFK DATA SEQUENCE QSLKKQGITV KGDIKTGEAP SSSDVLLSHR SMPLSKLFVP FMKLSNNGHA DATA SEQUENCE EVLVKEMGKV KKGEGSWEKG LEVLNSTLPE FGVDSKSLVL RDGSGISHID DATA SEQUENCE AVSSDQLSQL LYDIQDQSWF SAYLNSLPVA GNPDRMVGGT LRNRMKGTPA DATA SEQUENCE QGKVRAKTGS LSTVSSLSGY AETKSGKKLV FSILLNGLID EEDGKDIEDQ DATA SEQUENCE IAVILANQ 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.323 176.300 0.039 0.000 2.045 5 D CA 0.000 54.025 54.000 0.042 0.000 0.868 5 D CB 0.000 40.822 40.800 0.036 0.000 0.688 6 A N -0.175 122.660 122.820 0.025 0.000 1.874 6 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 6 A C 2.212 179.796 177.584 -0.000 0.000 1.189 6 A CA 1.196 53.239 52.037 0.010 0.000 0.615 6 A CB -1.066 17.935 19.000 0.002 0.000 0.830 6 A HN 0.474 nan 8.150 nan 0.000 0.443 7 L N -0.048 121.175 121.223 0.001 0.000 2.013 7 L HA -0.214 4.125 4.340 -0.000 0.000 0.212 7 L C 2.663 179.501 176.870 -0.053 0.000 1.073 7 L CA 2.095 56.916 54.840 -0.032 0.000 0.753 7 L CB -0.295 41.762 42.059 -0.003 0.000 0.890 7 L HN 0.396 nan 8.230 nan 0.000 0.432 8 S N -0.320 115.427 115.700 0.078 0.000 2.355 8 S HA -0.120 4.349 4.470 -0.000 0.000 0.222 8 S C 1.846 176.512 174.600 0.109 0.000 1.031 8 S CA 1.080 59.414 58.200 0.222 0.000 0.993 8 S CB -0.677 62.717 63.200 0.324 0.000 0.859 8 S HN 0.688 nan 8.310 nan 0.000 0.453 9 G N 1.303 110.142 108.800 0.065 0.000 2.446 9 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.217 9 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.217 9 G C 1.332 176.232 174.900 0.000 0.000 1.168 9 G CA 0.842 45.966 45.100 0.041 0.000 0.771 9 G HN 0.506 nan 8.290 nan 0.000 0.551 10 Q N -0.231 119.547 119.800 -0.038 0.000 2.050 10 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 10 Q C 2.655 178.590 176.000 -0.108 0.000 0.980 10 Q CA 1.131 56.894 55.803 -0.067 0.000 0.840 10 Q CB -0.203 28.486 28.738 -0.082 0.000 0.898 10 Q HN 0.523 nan 8.270 nan 0.000 0.424 11 I N 0.946 121.396 120.570 -0.200 0.000 2.252 11 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 11 I C 1.661 177.693 176.117 -0.141 0.000 1.102 11 I CA 0.955 62.075 61.300 -0.300 0.000 1.385 11 I CB -0.318 37.225 38.000 -0.762 0.000 1.064 11 I HN 0.181 nan 8.210 nan 0.000 0.414 12 D N 0.958 121.353 120.400 -0.007 0.000 2.178 12 D HA -0.202 4.438 4.640 -0.000 0.000 0.201 12 D C 2.079 178.408 176.300 0.048 0.000 0.980 12 D CA 1.084 55.148 54.000 0.106 0.000 0.842 12 D CB -0.093 40.815 40.800 0.179 0.000 0.948 12 D HN 0.321 nan 8.370 nan 0.000 0.472 13 K N 0.696 121.107 120.400 0.017 0.000 2.097 13 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 13 K C 2.006 178.616 176.600 0.017 0.000 1.050 13 K CA 0.524 56.821 56.287 0.016 0.000 0.938 13 K CB 0.127 32.629 32.500 0.004 0.000 0.718 13 K HN 0.004 nan 8.250 nan 0.000 0.442 14 I N 1.556 122.121 120.570 -0.009 0.000 2.493 14 I HA -0.222 3.948 4.170 -0.000 0.000 0.254 14 I C 1.992 178.128 176.117 0.031 0.000 1.160 14 I CA 1.196 62.502 61.300 0.009 0.000 1.445 14 I CB -0.545 37.418 38.000 -0.061 0.000 1.086 14 I HN 0.245 nan 8.210 nan 0.000 0.433 15 L N -0.144 121.074 121.223 -0.008 0.000 2.416 15 L HA 0.105 4.445 4.340 -0.000 0.000 0.216 15 L C 2.722 179.618 176.870 0.043 0.000 1.098 15 L CA 0.436 55.267 54.840 -0.017 0.000 0.840 15 L CB -0.552 41.452 42.059 -0.091 0.000 0.981 15 L HN 0.067 nan 8.230 nan 0.000 0.462 16 A N 1.666 124.518 122.820 0.053 0.000 1.834 16 A HA -0.251 4.068 4.320 -0.000 0.000 0.216 16 A C 1.975 179.593 177.584 0.057 0.000 1.203 16 A CA 2.115 54.186 52.037 0.057 0.000 0.621 16 A CB -0.766 18.263 19.000 0.048 0.000 0.841 16 A HN 0.538 nan 8.150 nan 0.000 0.446 17 D N -0.210 120.221 120.400 0.051 0.000 2.096 17 D HA -0.200 4.439 4.640 -0.000 0.000 0.200 17 D C 0.469 176.797 176.300 0.046 0.000 0.980 17 D CA 1.180 55.197 54.000 0.028 0.000 0.860 17 D CB -1.557 39.239 40.800 -0.006 0.000 1.005 17 D HN 0.525 nan 8.370 nan 0.000 0.449 18 H N 2.467 121.531 119.070 -0.011 0.000 2.527 18 H HA -0.093 4.463 4.556 -0.001 0.000 0.238 18 H C -1.414 173.910 175.328 -0.007 0.000 0.658 18 H CA 0.312 56.352 56.048 -0.012 0.000 1.429 18 H CB 0.174 29.924 29.762 -0.020 0.000 1.348 18 H HN 0.249 nan 8.280 nan 0.000 0.379 19 P HA -0.099 nan 4.420 nan 0.000 0.234 19 P C 0.918 178.257 177.300 0.065 0.000 1.167 19 P CA 1.207 64.326 63.100 0.030 0.000 0.763 19 P CB 0.308 32.002 31.700 -0.010 0.000 0.835 20 A N -0.034 122.865 122.820 0.132 0.000 2.014 20 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 20 A C 1.917 179.544 177.584 0.072 0.000 1.163 20 A CA 0.993 53.099 52.037 0.115 0.000 0.652 20 A CB -1.102 18.007 19.000 0.182 0.000 0.808 20 A HN 0.111 nan 8.150 nan 0.000 0.449 21 L N 0.458 121.728 121.223 0.078 0.000 2.554 21 L HA 0.090 4.429 4.340 -0.000 0.000 0.226 21 L C 0.504 177.399 176.870 0.042 0.000 1.137 21 L CA 0.433 55.299 54.840 0.042 0.000 0.863 21 L CB -0.514 41.563 42.059 0.029 0.000 0.985 21 L HN 0.340 nan 8.230 nan 0.000 0.451 22 E N 0.459 120.686 120.200 0.045 0.000 2.341 22 E HA 0.254 4.604 4.350 -0.000 0.000 0.256 22 E C 1.157 177.775 176.600 0.030 0.000 1.125 22 E CA 0.627 57.049 56.400 0.036 0.000 0.939 22 E CB -0.153 29.565 29.700 0.030 0.000 0.991 22 E HN 0.364 nan 8.360 nan 0.000 0.458 23 G N 2.335 111.153 108.800 0.030 0.000 2.176 23 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 23 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 23 G C 0.297 175.213 174.900 0.026 0.000 0.979 23 G CA 0.037 45.153 45.100 0.026 0.000 0.641 23 G HN 0.730 nan 8.290 nan 0.000 0.530 24 A N -0.197 122.641 122.820 0.030 0.000 2.284 24 A HA 1.027 5.347 4.320 -0.000 0.000 0.317 24 A C 0.218 177.823 177.584 0.036 0.000 1.120 24 A CA -0.000 52.053 52.037 0.027 0.000 0.900 24 A CB 0.817 19.830 19.000 0.021 0.000 1.319 24 A HN 1.467 nan 8.150 nan 0.000 0.494 25 M N -1.234 118.387 119.600 0.035 0.000 2.518 25 M HA 0.807 5.287 4.480 -0.000 0.000 0.300 25 M C -0.809 175.517 176.300 0.043 0.000 1.175 25 M CA -0.711 54.621 55.300 0.054 0.000 0.890 25 M CB 2.302 34.934 32.600 0.054 0.000 1.710 25 M HN 0.920 nan 8.290 nan 0.000 0.453 26 A N 1.318 124.179 122.820 0.068 0.000 2.359 26 A HA 0.870 5.190 4.320 -0.000 0.000 0.303 26 A C -0.409 177.248 177.584 0.122 0.000 1.066 26 A CA -0.524 51.526 52.037 0.022 0.000 0.730 26 A CB 1.496 20.416 19.000 -0.132 0.000 1.211 26 A HN 1.112 nan 8.150 nan 0.000 0.439 27 G N 1.418 110.274 108.800 0.094 0.000 2.502 27 G HA2 0.609 4.569 3.960 -0.000 0.000 0.311 27 G HA3 0.609 4.569 3.960 -0.000 0.000 0.311 27 G C -0.885 174.086 174.900 0.119 0.000 1.270 27 G CA -0.335 44.840 45.100 0.125 0.000 0.948 27 G HN 0.653 nan 8.290 nan 0.000 0.487 28 I N 1.526 122.201 120.570 0.175 0.000 2.607 28 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 28 I C -0.591 175.669 176.117 0.238 0.000 1.129 28 I CA -0.604 60.819 61.300 0.206 0.000 1.042 28 I CB 2.978 41.128 38.000 0.250 0.000 1.242 28 I HN 0.317 nan 8.210 nan 0.000 0.421 29 T N 4.742 119.422 114.554 0.211 0.000 2.916 29 T HA 0.608 4.958 4.350 -0.000 0.000 0.298 29 T C -0.808 174.022 174.700 0.217 0.000 1.031 29 T CA -0.555 61.658 62.100 0.189 0.000 0.993 29 T CB 2.432 71.360 68.868 0.100 0.000 1.045 29 T HN 0.182 nan 8.240 nan 0.000 0.454 30 V N 3.667 123.713 119.914 0.220 0.000 2.656 30 V HA 0.681 4.801 4.120 -0.000 0.000 0.307 30 V C -0.409 175.762 176.094 0.129 0.000 1.051 30 V CA -0.974 61.442 62.300 0.194 0.000 0.893 30 V CB 1.998 33.921 31.823 0.166 0.000 0.999 30 V HN 0.784 nan 8.190 nan 0.000 0.426 31 R N 1.848 122.412 120.500 0.105 0.000 2.771 31 R HA 0.601 4.940 4.340 -0.000 0.000 0.274 31 R C -0.570 175.764 176.300 0.057 0.000 0.987 31 R CA -0.683 55.442 56.100 0.043 0.000 0.908 31 R CB 1.988 32.282 30.300 -0.011 0.000 1.213 31 R HN 0.642 nan 8.270 nan 0.000 0.468 32 S N 0.678 116.385 115.700 0.011 0.000 2.537 32 S HA 0.125 4.595 4.470 -0.000 0.000 0.286 32 S C 1.194 175.859 174.600 0.108 0.000 1.299 32 S CA 0.115 58.341 58.200 0.043 0.000 1.067 32 S CB 0.946 64.148 63.200 0.005 0.000 0.864 32 S HN 0.716 nan 8.310 nan 0.000 0.494 33 A N 3.868 126.796 122.820 0.180 0.000 2.066 33 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 33 A C 1.976 179.740 177.584 0.301 0.000 1.157 33 A CA 1.336 53.540 52.037 0.279 0.000 0.670 33 A CB -0.473 18.651 19.000 0.207 0.000 0.804 33 A HN 0.973 nan 8.150 nan 0.000 0.453 34 E N -0.321 119.993 120.200 0.190 0.000 2.060 34 E HA -0.116 4.234 4.350 -0.000 0.000 0.189 34 E C 1.781 178.507 176.600 0.210 0.000 0.974 34 E CA 1.571 58.069 56.400 0.163 0.000 0.808 34 E CB 0.064 29.811 29.700 0.080 0.000 0.768 34 E HN 0.625 nan 8.360 nan 0.000 0.453 35 T N -3.963 110.627 114.554 0.061 0.000 3.010 35 T HA 0.328 4.678 4.350 -0.000 0.000 0.257 35 T C 1.385 175.804 174.700 -0.468 0.000 1.020 35 T CA 0.449 62.504 62.100 -0.075 0.000 0.938 35 T CB 0.875 69.709 68.868 -0.058 0.000 1.049 35 T HN 0.330 nan 8.240 nan 0.000 0.522 36 G N 1.685 109.966 108.800 -0.866 0.000 2.189 36 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.267 36 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.267 36 G C 0.352 174.954 174.900 -0.498 0.000 0.975 36 G CA -0.002 44.311 45.100 -1.311 0.000 0.644 36 G HN 1.266 nan 8.290 nan 0.000 0.537 37 A N -0.144 122.504 122.820 -0.288 0.000 2.450 37 A HA 0.627 4.947 4.320 -0.000 0.000 0.255 37 A C 0.776 178.307 177.584 -0.088 0.000 1.096 37 A CA 0.487 52.436 52.037 -0.147 0.000 0.778 37 A CB 1.189 20.133 19.000 -0.093 0.000 1.031 37 A HN 1.628 nan 8.150 nan 0.000 0.494 38 V N 5.205 125.084 119.914 -0.058 0.000 2.479 38 V HA 0.165 4.284 4.120 -0.000 0.000 0.281 38 V C 0.779 176.880 176.094 0.012 0.000 1.031 38 V CA 0.214 62.506 62.300 -0.013 0.000 1.038 38 V CB 0.024 31.837 31.823 -0.017 0.000 0.981 38 V HN 0.786 nan 8.190 nan 0.000 0.478 39 L N 6.770 128.027 121.223 0.056 0.000 2.513 39 L HA 0.373 4.713 4.340 -0.000 0.000 0.222 39 L C 0.018 176.982 176.870 0.156 0.000 1.096 39 L CA 0.186 55.074 54.840 0.080 0.000 0.857 39 L CB -0.107 41.999 42.059 0.079 0.000 1.026 39 L HN 0.719 nan 8.230 nan 0.000 0.469 40 Y N 1.178 121.486 120.300 0.014 0.000 2.474 40 Y HA 0.427 4.977 4.550 -0.001 0.000 0.326 40 Y C -1.489 174.433 175.900 0.037 0.000 1.160 40 Y CA -1.409 56.705 58.100 0.024 0.000 1.056 40 Y CB 1.410 39.884 38.460 0.023 0.000 1.330 40 Y HN 0.169 nan 8.280 nan 0.000 0.447 41 E N 4.187 124.021 120.200 -0.611 0.000 2.352 41 E HA 0.390 4.740 4.350 -0.000 0.000 0.280 41 E C -2.333 174.006 176.600 -0.435 0.000 0.930 41 E CA -0.842 55.373 56.400 -0.309 0.000 0.765 41 E CB 1.910 31.526 29.700 -0.140 0.000 1.219 41 E HN 0.624 nan 8.360 nan 0.000 0.434 42 H N 2.552 121.499 119.070 -0.205 0.000 3.108 42 H HA 0.272 4.828 4.556 -0.001 0.000 0.329 42 H C -0.823 174.489 175.328 -0.026 0.000 0.978 42 H CA -0.062 55.920 56.048 -0.109 0.000 1.413 42 H CB 1.131 30.922 29.762 0.049 0.000 1.670 42 H HN 0.724 nan 8.280 nan 0.000 0.512 43 S N 2.429 118.085 115.700 -0.074 0.000 3.533 43 S HA -0.220 4.250 4.470 -0.000 0.000 0.347 43 S C 1.687 176.308 174.600 0.036 0.000 1.101 43 S CA 0.828 59.026 58.200 -0.004 0.000 1.009 43 S CB -1.307 61.950 63.200 0.094 0.000 0.916 43 S HN 0.929 nan 8.310 nan 0.000 0.496 44 G N 1.936 110.745 108.800 0.015 0.000 2.479 44 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 44 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 44 G C 0.900 175.810 174.900 0.018 0.000 1.115 44 G CA 1.182 46.297 45.100 0.026 0.000 0.757 44 G HN 0.847 nan 8.290 nan 0.000 0.560 45 D N -0.242 120.161 120.400 0.004 0.000 2.395 45 D HA 0.023 4.663 4.640 -0.000 0.000 0.213 45 D C 0.920 177.225 176.300 0.009 0.000 1.110 45 D CA 0.139 54.142 54.000 0.006 0.000 0.835 45 D CB -0.573 40.225 40.800 -0.004 0.000 0.965 45 D HN 0.178 nan 8.370 nan 0.000 0.505 46 T N -1.376 113.186 114.554 0.014 0.000 2.733 46 T HA 0.333 4.683 4.350 -0.000 0.000 0.294 46 T C 0.252 174.967 174.700 0.024 0.000 0.956 46 T CA -0.889 61.221 62.100 0.017 0.000 0.987 46 T CB 1.287 70.165 68.868 0.017 0.000 0.920 46 T HN -0.014 nan 8.240 nan 0.000 0.470 47 R N 3.527 124.040 120.500 0.021 0.000 2.523 47 R HA 0.261 4.601 4.340 -0.000 0.000 0.281 47 R C -0.138 176.178 176.300 0.026 0.000 0.969 47 R CA 0.707 56.821 56.100 0.023 0.000 1.093 47 R CB 0.166 30.479 30.300 0.021 0.000 0.917 47 R HN 0.724 nan 8.270 nan 0.000 0.408 48 M N 2.335 121.950 119.600 0.025 0.000 2.622 48 M HA 0.339 4.818 4.480 -0.000 0.000 0.276 48 M C -0.607 175.705 176.300 0.020 0.000 1.265 48 M CA -0.914 54.401 55.300 0.027 0.000 0.850 48 M CB 2.532 35.150 32.600 0.030 0.000 1.720 48 M HN 0.392 nan 8.290 nan 0.000 0.465 49 R N 2.269 122.782 120.500 0.023 0.000 2.399 49 R HA 0.121 4.461 4.340 -0.000 0.000 0.324 49 R C -1.633 174.658 176.300 -0.014 0.000 1.030 49 R CA -1.005 55.100 56.100 0.008 0.000 0.984 49 R CB 0.233 30.552 30.300 0.032 0.000 0.961 49 R HN 0.322 nan 8.270 nan 0.000 0.433 50 P HA -0.058 nan 4.420 nan 0.000 0.224 50 P C 0.127 177.390 177.300 -0.062 0.000 1.157 50 P CA 1.128 64.206 63.100 -0.036 0.000 0.799 50 P CB 0.340 32.024 31.700 -0.027 0.000 0.809 51 A N 0.022 122.788 122.820 -0.090 0.000 6.086 51 A HA -0.205 4.114 4.320 -0.000 0.000 0.252 51 A C 1.579 179.103 177.584 -0.101 0.000 2.197 51 A CA 0.943 52.906 52.037 -0.124 0.000 0.706 51 A CB -2.406 16.524 19.000 -0.117 0.000 1.023 51 A HN 0.151 nan 8.150 nan 0.000 0.358 52 S N -0.049 115.585 115.700 -0.110 0.000 2.528 52 S HA -0.011 4.459 4.470 -0.000 0.000 0.244 52 S C 1.760 176.299 174.600 -0.103 0.000 0.982 52 S CA 1.337 59.476 58.200 -0.103 0.000 0.953 52 S CB -0.425 62.702 63.200 -0.122 0.000 0.754 52 S HN 0.884 nan 8.310 nan 0.000 0.529 53 S N 1.363 117.008 115.700 -0.091 0.000 2.507 53 S HA 0.033 4.503 4.470 -0.000 0.000 0.235 53 S C 1.603 176.163 174.600 -0.066 0.000 0.988 53 S CA 0.296 58.442 58.200 -0.090 0.000 0.944 53 S CB -0.226 62.926 63.200 -0.080 0.000 0.762 53 S HN 0.447 nan 8.310 nan 0.000 0.526 54 L N 1.874 123.069 121.223 -0.047 0.000 2.141 54 L HA -0.013 4.326 4.340 -0.000 0.000 0.209 54 L C 1.933 178.804 176.870 0.002 0.000 1.094 54 L CA 1.598 56.431 54.840 -0.011 0.000 0.763 54 L CB -0.300 41.759 42.059 -0.000 0.000 0.908 54 L HN 0.089 nan 8.230 nan 0.000 0.437 55 K N -0.829 119.550 120.400 -0.034 0.000 2.218 55 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 55 K C 1.884 178.444 176.600 -0.067 0.000 1.046 55 K CA 1.128 57.388 56.287 -0.045 0.000 0.933 55 K CB -0.351 32.030 32.500 -0.198 0.000 0.728 55 K HN 0.207 nan 8.250 nan 0.000 0.454 56 L N 0.791 121.979 121.223 -0.058 0.000 2.263 56 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 56 L C 1.846 178.815 176.870 0.166 0.000 1.111 56 L CA 1.543 56.414 54.840 0.052 0.000 0.773 56 L CB -0.390 41.692 42.059 0.038 0.000 0.906 56 L HN 0.194 nan 8.230 nan 0.000 0.439 57 L N -2.661 118.627 121.223 0.109 0.000 2.221 57 L HA -0.045 4.294 4.340 -0.000 0.000 0.202 57 L C 2.221 179.191 176.870 0.167 0.000 1.074 57 L CA 0.677 55.598 54.840 0.135 0.000 0.795 57 L CB -0.673 41.454 42.059 0.113 0.000 0.960 57 L HN 0.074 nan 8.230 nan 0.000 0.458 58 T N 0.353 114.997 114.554 0.150 0.000 2.746 58 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 58 T C 1.994 176.822 174.700 0.214 0.000 1.039 58 T CA 1.416 63.619 62.100 0.171 0.000 1.142 58 T CB -0.209 68.771 68.868 0.187 0.000 0.866 58 T HN 0.402 nan 8.240 nan 0.000 0.444 59 A N 1.474 124.425 122.820 0.218 0.000 1.877 59 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 59 A C 2.659 180.492 177.584 0.415 0.000 1.186 59 A CA 1.852 54.074 52.037 0.308 0.000 0.620 59 A CB -1.174 17.751 19.000 -0.124 0.000 0.822 59 A HN 0.505 nan 8.150 nan 0.000 0.443 60 A N -0.115 122.940 122.820 0.392 0.000 1.858 60 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 60 A C 2.551 180.218 177.584 0.138 0.000 1.190 60 A CA 2.262 54.383 52.037 0.140 0.000 0.617 60 A CB -1.184 17.779 19.000 -0.062 0.000 0.827 60 A HN 1.109 nan 8.150 nan 0.000 0.443 61 A N -0.109 122.873 122.820 0.271 0.000 1.883 61 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 61 A C 2.529 180.175 177.584 0.104 0.000 1.186 61 A CA 2.435 54.639 52.037 0.279 0.000 0.624 61 A CB -1.117 18.014 19.000 0.219 0.000 0.822 61 A HN 1.129 nan 8.150 nan 0.000 0.444 62 A N -0.456 122.404 122.820 0.067 0.000 1.902 62 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 62 A C 2.159 179.639 177.584 -0.174 0.000 1.181 62 A CA 1.512 53.540 52.037 -0.014 0.000 0.623 62 A CB -0.603 18.460 19.000 0.105 0.000 0.818 62 A HN 0.478 nan 8.150 nan 0.000 0.443 63 L N -0.861 120.152 121.223 -0.351 0.000 2.201 63 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 63 L C 2.844 179.292 176.870 -0.703 0.000 1.105 63 L CA 1.263 55.624 54.840 -0.798 0.000 0.775 63 L CB -0.260 40.877 42.059 -1.538 0.000 0.913 63 L HN 0.472 nan 8.230 nan 0.000 0.440 64 S N -0.808 114.705 115.700 -0.311 0.000 2.348 64 S HA -0.095 4.375 4.470 -0.000 0.000 0.219 64 S C 1.874 176.513 174.600 0.066 0.000 1.033 64 S CA 0.896 59.200 58.200 0.172 0.000 0.974 64 S CB 0.085 63.539 63.200 0.424 0.000 0.868 64 S HN 0.140 nan 8.310 nan 0.000 0.459 65 V N 1.942 121.850 119.914 -0.009 0.000 2.239 65 V HA -0.070 4.050 4.120 -0.000 0.000 0.242 65 V C 2.321 178.356 176.094 -0.099 0.000 1.038 65 V CA 1.350 63.624 62.300 -0.044 0.000 1.002 65 V CB -0.631 31.153 31.823 -0.065 0.000 0.641 65 V HN 0.350 nan 8.190 nan 0.000 0.449 66 L N 0.014 121.111 121.223 -0.210 0.000 2.109 66 L HA 0.306 4.646 4.340 -0.000 0.000 0.207 66 L C 1.193 177.994 176.870 -0.115 0.000 1.086 66 L CA 1.721 56.365 54.840 -0.327 0.000 0.760 66 L CB -1.534 40.105 42.059 -0.700 0.000 0.910 66 L HN 0.628 nan 8.230 nan 0.000 0.437 67 G N -0.390 108.327 108.800 -0.139 0.000 2.692 67 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 67 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 67 G C 0.653 175.480 174.900 -0.122 0.000 1.243 67 G CA 0.038 45.094 45.100 -0.073 0.000 0.782 67 G HN 0.418 nan 8.290 nan 0.000 0.625 68 E N -0.199 119.935 120.200 -0.110 0.000 2.347 68 E HA -0.066 4.283 4.350 -0.000 0.000 0.196 68 E C 1.442 177.991 176.600 -0.085 0.000 1.008 68 E CA 1.196 57.506 56.400 -0.150 0.000 0.852 68 E CB -0.025 29.624 29.700 -0.086 0.000 0.783 68 E HN 0.529 nan 8.360 nan 0.000 0.505 69 N N -0.389 118.290 118.700 -0.034 0.000 2.322 69 N HA 0.017 4.757 4.740 -0.000 0.000 0.194 69 N C -0.781 174.690 175.510 -0.065 0.000 1.126 69 N CA -0.331 52.692 53.050 -0.045 0.000 0.845 69 N CB 0.144 38.609 38.487 -0.037 0.000 0.976 69 N HN 0.138 nan 8.380 nan 0.000 0.475 70 Y N 1.246 121.443 120.300 -0.171 0.000 2.425 70 Y HA 0.162 4.711 4.550 -0.000 0.000 0.331 70 Y C -0.172 175.561 175.900 -0.279 0.000 1.157 70 Y CA 0.069 58.032 58.100 -0.228 0.000 1.372 70 Y CB 0.537 38.838 38.460 -0.264 0.000 1.253 70 Y HN -0.163 nan 8.280 nan 0.000 0.536 71 S N 5.257 120.573 115.700 -0.641 0.000 2.548 71 S HA 0.537 5.007 4.470 -0.000 0.000 0.286 71 S C -1.246 173.009 174.600 -0.574 0.000 1.098 71 S CA -0.691 57.260 58.200 -0.416 0.000 0.930 71 S CB 0.879 63.896 63.200 -0.305 0.000 1.070 71 S HN 0.481 nan 8.310 nan 0.000 0.480 72 F N 1.321 121.163 119.950 -0.180 0.000 2.378 72 F HA 0.550 5.077 4.527 -0.000 0.000 0.319 72 F C 1.224 176.841 175.800 -0.305 0.000 1.155 72 F CA -0.261 57.636 58.000 -0.173 0.000 1.157 72 F CB 0.783 39.710 39.000 -0.121 0.000 1.252 72 F HN 0.306 nan 8.300 nan 0.000 0.550 73 T N -0.025 114.426 114.554 -0.171 0.000 2.893 73 T HA 0.542 4.891 4.350 -0.000 0.000 0.291 73 T C -0.871 173.680 174.700 -0.249 0.000 1.028 73 T CA -0.717 61.225 62.100 -0.263 0.000 0.995 73 T CB 1.720 70.385 68.868 -0.339 0.000 1.051 73 T HN 0.480 nan 8.240 nan 0.000 0.470 74 T N 3.188 117.643 114.554 -0.166 0.000 2.879 74 T HA 0.475 4.824 4.350 -0.000 0.000 0.290 74 T C -0.837 173.805 174.700 -0.097 0.000 0.993 74 T CA -0.803 61.225 62.100 -0.119 0.000 0.975 74 T CB 1.223 70.074 68.868 -0.029 0.000 0.981 74 T HN 0.577 nan 8.240 nan 0.000 0.439 75 E N 1.501 121.627 120.200 -0.122 0.000 2.277 75 E HA 0.686 5.036 4.350 -0.000 0.000 0.266 75 E C -1.095 175.462 176.600 -0.071 0.000 0.901 75 E CA -1.100 55.247 56.400 -0.089 0.000 0.782 75 E CB 2.395 32.036 29.700 -0.097 0.000 1.228 75 E HN 0.218 nan 8.360 nan 0.000 0.424 76 V N 2.291 122.186 119.914 -0.031 0.000 2.459 76 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 76 V C -0.196 175.936 176.094 0.064 0.000 1.029 76 V CA -0.559 61.751 62.300 0.015 0.000 0.874 76 V CB 1.213 33.069 31.823 0.055 0.000 0.985 76 V HN 0.601 nan 8.190 nan 0.000 0.438 77 R N 1.936 122.515 120.500 0.132 0.000 2.855 77 R HA 0.856 5.196 4.340 -0.000 0.000 0.266 77 R C -0.880 175.582 176.300 0.269 0.000 1.034 77 R CA -0.713 55.485 56.100 0.163 0.000 0.944 77 R CB 2.318 32.692 30.300 0.124 0.000 1.219 77 R HN 0.669 nan 8.270 nan 0.000 0.474 78 T N -1.221 113.472 114.554 0.232 0.000 2.821 78 T HA 0.219 4.568 4.350 -0.000 0.000 0.306 78 T C -0.685 174.140 174.700 0.209 0.000 1.313 78 T CA -0.629 61.604 62.100 0.221 0.000 1.012 78 T CB 1.534 70.462 68.868 0.101 0.000 1.298 78 T HN 0.556 nan 8.240 nan 0.000 0.502 79 D N 1.418 121.936 120.400 0.198 0.000 2.394 79 D HA 0.190 4.830 4.640 -0.000 0.000 0.237 79 D C 1.539 177.888 176.300 0.081 0.000 1.028 79 D CA 0.756 54.845 54.000 0.148 0.000 0.937 79 D CB -1.001 39.888 40.800 0.148 0.000 1.072 79 D HN 0.707 nan 8.370 nan 0.000 0.457 80 G N 0.093 108.928 108.800 0.058 0.000 2.492 80 G HA2 0.217 4.177 3.960 -0.000 0.000 0.308 80 G HA3 0.217 4.177 3.960 -0.000 0.000 0.308 80 G C 0.639 175.560 174.900 0.034 0.000 1.323 80 G CA 1.544 46.666 45.100 0.035 0.000 1.132 80 G HN 0.424 nan 8.290 nan 0.000 0.630 81 T N -4.092 110.476 114.554 0.023 0.000 2.605 81 T HA 0.523 4.873 4.350 -0.000 0.000 0.216 81 T C -0.224 174.485 174.700 0.015 0.000 0.812 81 T CA 0.240 62.353 62.100 0.021 0.000 1.352 81 T CB 0.216 69.095 68.868 0.019 0.000 1.694 81 T HN 2.092 nan 8.240 nan 0.000 0.440 82 L N 1.064 122.294 121.223 0.012 0.000 2.263 82 L HA 0.019 4.359 4.340 -0.000 0.000 0.574 82 L C 0.532 177.407 176.870 0.008 0.000 1.000 82 L CA 0.820 55.665 54.840 0.008 0.000 1.256 82 L CB -0.718 41.344 42.059 0.005 0.000 1.933 82 L HN 1.026 nan 8.230 nan 0.000 0.985 83 K N 3.343 123.748 120.400 0.007 0.000 2.469 83 K HA 0.424 4.744 4.320 -0.000 0.000 0.201 83 K C 1.012 177.613 176.600 0.003 0.000 1.028 83 K CA 0.294 56.585 56.287 0.007 0.000 1.170 83 K CB 0.471 32.975 32.500 0.007 0.000 0.874 83 K HN 0.700 nan 8.250 nan 0.000 0.507 84 G N 1.706 110.507 108.800 0.001 0.000 2.672 84 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.200 84 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.200 84 G C 0.843 175.740 174.900 -0.005 0.000 1.819 84 G CA 0.252 45.351 45.100 -0.002 0.000 0.902 84 G HN 0.215 nan 8.290 nan 0.000 0.512 85 K N -1.156 119.240 120.400 -0.006 0.000 2.620 85 K HA 0.185 4.505 4.320 -0.000 0.000 0.208 85 K C -0.179 176.414 176.600 -0.010 0.000 1.582 85 K CA 0.089 56.370 56.287 -0.010 0.000 1.083 85 K CB 0.648 33.140 32.500 -0.013 0.000 1.420 85 K HN 0.327 nan 8.250 nan 0.000 0.582 86 K N 1.751 122.145 120.400 -0.009 0.000 2.339 86 K HA 0.300 4.620 4.320 -0.000 0.000 0.264 86 K C -0.746 175.849 176.600 -0.008 0.000 0.986 86 K CA -0.879 55.401 56.287 -0.011 0.000 0.866 86 K CB 1.710 34.203 32.500 -0.013 0.000 1.103 86 K HN -0.025 nan 8.250 nan 0.000 0.441 87 L N 3.322 124.539 121.223 -0.009 0.000 2.477 87 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 87 L C -0.261 176.604 176.870 -0.008 0.000 1.157 87 L CA 0.375 55.212 54.840 -0.005 0.000 0.889 87 L CB 0.014 42.070 42.059 -0.006 0.000 1.158 87 L HN 0.499 nan 8.230 nan 0.000 0.473 88 N N 5.461 124.160 118.700 -0.002 0.000 3.188 88 N HA 0.431 5.171 4.740 -0.000 0.000 0.279 88 N C 0.027 175.537 175.510 0.001 0.000 1.213 88 N CA 0.412 53.461 53.050 -0.002 0.000 1.138 88 N CB 0.738 39.227 38.487 0.002 0.000 1.417 88 N HN 0.866 nan 8.380 nan 0.000 0.526 89 G N 0.181 108.975 108.800 -0.010 0.000 2.325 89 G HA2 0.089 4.049 3.960 -0.000 0.000 0.295 89 G HA3 0.089 4.049 3.960 -0.000 0.000 0.295 89 G C -1.411 173.458 174.900 -0.053 0.000 1.274 89 G CA -0.900 44.194 45.100 -0.010 0.000 0.857 89 G HN 0.301 nan 8.290 nan 0.000 0.499 90 N N -0.688 117.956 118.700 -0.093 0.000 2.509 90 N HA 0.539 5.278 4.740 -0.000 0.000 0.287 90 N C -1.068 174.234 175.510 -0.346 0.000 1.121 90 N CA -0.481 52.412 53.050 -0.261 0.000 0.977 90 N CB 2.164 40.398 38.487 -0.422 0.000 1.167 90 N HN 0.356 nan 8.380 nan 0.000 0.476 91 L N 2.752 123.761 121.223 -0.357 0.000 2.322 91 L HA 0.442 4.782 4.340 -0.000 0.000 0.281 91 L C -1.589 175.082 176.870 -0.332 0.000 1.014 91 L CA -0.460 54.254 54.840 -0.210 0.000 0.815 91 L CB 0.501 42.534 42.059 -0.043 0.000 1.247 91 L HN 0.442 nan 8.230 nan 0.000 0.421 92 Y N 4.770 125.105 120.300 0.057 0.000 2.409 92 Y HA 0.590 5.140 4.550 -0.001 0.000 0.339 92 Y C -0.513 175.384 175.900 -0.005 0.000 1.033 92 Y CA -0.816 57.301 58.100 0.029 0.000 1.094 92 Y CB 1.834 40.300 38.460 0.009 0.000 1.210 92 Y HN 0.480 nan 8.280 nan 0.000 0.456 93 L N 4.252 125.530 121.223 0.093 0.000 2.356 93 L HA 0.439 4.779 4.340 -0.000 0.000 0.264 93 L C -0.725 176.113 176.870 -0.053 0.000 1.029 93 L CA -0.581 54.196 54.840 -0.105 0.000 0.897 93 L CB 0.331 42.217 42.059 -0.289 0.000 1.256 93 L HN 0.507 nan 8.230 nan 0.000 0.444 94 K N 3.373 123.748 120.400 -0.042 0.000 2.267 94 K HA 0.607 4.927 4.320 -0.000 0.000 0.282 94 K C -0.004 176.528 176.600 -0.115 0.000 1.078 94 K CA -0.382 55.872 56.287 -0.055 0.000 0.903 94 K CB 0.802 33.269 32.500 -0.056 0.000 1.111 94 K HN 0.790 nan 8.250 nan 0.000 0.475 95 G N 3.077 111.812 108.800 -0.109 0.000 2.367 95 G HA2 0.250 4.210 3.960 -0.000 0.000 0.314 95 G HA3 0.250 4.210 3.960 -0.000 0.000 0.314 95 G C -0.570 174.170 174.900 -0.267 0.000 1.130 95 G CA -0.568 44.439 45.100 -0.155 0.000 0.864 95 G HN 0.625 nan 8.290 nan 0.000 0.486 96 K N 1.374 121.517 120.400 -0.428 0.000 3.237 96 K HA 0.394 4.714 4.320 -0.000 0.000 0.197 96 K C 1.013 177.342 176.600 -0.452 0.000 1.133 96 K CA 0.061 55.806 56.287 -0.903 0.000 0.944 96 K CB 0.998 32.595 32.500 -1.505 0.000 0.952 96 K HN 0.941 nan 8.250 nan 0.000 0.515 97 G N 0.738 109.400 108.800 -0.231 0.000 2.284 97 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.230 97 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.230 97 G C 0.030 174.749 174.900 -0.301 0.000 1.021 97 G CA -0.099 44.996 45.100 -0.008 0.000 0.619 97 G HN 0.513 nan 8.290 nan 0.000 0.510 98 D N 2.443 122.692 120.400 -0.252 0.000 2.554 98 D HA 0.196 4.836 4.640 -0.000 0.000 0.251 98 D C -0.550 175.527 176.300 -0.371 0.000 1.213 98 D CA -0.243 53.524 54.000 -0.388 0.000 0.900 98 D CB 1.107 41.805 40.800 -0.170 0.000 1.135 98 D HN 0.327 nan 8.370 nan 0.000 0.522 99 P HA 0.042 nan 4.420 nan 0.000 0.268 99 P C 0.524 177.716 177.300 -0.180 0.000 1.329 99 P CA 0.188 63.124 63.100 -0.274 0.000 0.899 99 P CB 0.231 31.730 31.700 -0.335 0.000 1.378 100 T N -3.445 110.906 114.554 -0.339 0.000 3.069 100 T HA 0.227 4.577 4.350 -0.000 0.000 0.252 100 T C 0.816 175.428 174.700 -0.147 0.000 1.053 100 T CA -0.306 61.521 62.100 -0.454 0.000 0.964 100 T CB -0.439 67.806 68.868 -1.038 0.000 1.005 100 T HN -0.066 nan 8.240 nan 0.000 0.532 101 L N 1.932 123.077 121.223 -0.130 0.000 2.525 101 L HA 0.297 4.637 4.340 -0.000 0.000 0.278 101 L C 0.065 176.845 176.870 -0.150 0.000 1.218 101 L CA 0.034 54.739 54.840 -0.226 0.000 0.878 101 L CB 0.377 42.237 42.059 -0.331 0.000 1.127 101 L HN 0.253 nan 8.230 nan 0.000 0.492 102 L N 4.738 125.826 121.223 -0.225 0.000 2.319 102 L HA 0.366 4.706 4.340 -0.000 0.000 0.267 102 L C -1.624 175.154 176.870 -0.154 0.000 1.011 102 L CA -1.723 53.072 54.840 -0.075 0.000 0.818 102 L CB 1.782 43.856 42.059 0.025 0.000 1.316 102 L HN 0.303 nan 8.230 nan 0.000 0.432 103 P HA -0.175 nan 4.420 nan 0.000 0.217 103 P C 1.390 178.735 177.300 0.076 0.000 1.148 103 P CA 1.254 64.440 63.100 0.143 0.000 0.828 103 P CB 0.213 31.984 31.700 0.119 0.000 0.783 104 S N -2.047 113.649 115.700 -0.007 0.000 2.481 104 S HA -0.091 4.378 4.470 -0.000 0.000 0.231 104 S C 1.611 176.153 174.600 -0.098 0.000 0.996 104 S CA 0.877 59.064 58.200 -0.022 0.000 0.942 104 S CB -0.872 62.319 63.200 -0.016 0.000 0.768 104 S HN 0.041 nan 8.310 nan 0.000 0.520 105 D N 1.392 121.645 120.400 -0.245 0.000 2.123 105 D HA 0.078 4.718 4.640 -0.000 0.000 0.200 105 D C 1.286 177.370 176.300 -0.361 0.000 0.976 105 D CA 0.825 54.575 54.000 -0.416 0.000 0.831 105 D CB -0.440 39.987 40.800 -0.621 0.000 0.974 105 D HN 0.554 nan 8.370 nan 0.000 0.469 106 F N 1.034 120.957 119.950 -0.046 0.000 2.546 106 F HA -0.059 4.467 4.527 -0.000 0.000 0.298 106 F C 2.015 177.887 175.800 0.120 0.000 1.120 106 F CA 0.267 58.318 58.000 0.085 0.000 1.456 106 F CB 0.168 39.268 39.000 0.166 0.000 1.088 106 F HN -0.156 nan 8.300 nan 0.000 0.572 107 D N 0.404 120.896 120.400 0.153 0.000 2.162 107 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 107 D C 1.996 178.320 176.300 0.040 0.000 0.964 107 D CA 0.915 54.967 54.000 0.086 0.000 0.847 107 D CB -0.115 40.711 40.800 0.043 0.000 0.988 107 D HN 0.201 nan 8.370 nan 0.000 0.480 108 K N 0.183 120.574 120.400 -0.015 0.000 2.147 108 K HA -0.010 4.309 4.320 -0.000 0.000 0.205 108 K C 2.193 178.787 176.600 -0.011 0.000 1.049 108 K CA 0.784 57.041 56.287 -0.049 0.000 0.936 108 K CB 0.035 32.469 32.500 -0.110 0.000 0.722 108 K HN 0.107 nan 8.250 nan 0.000 0.446 109 M N -0.101 119.530 119.600 0.051 0.000 2.064 109 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 109 M C 2.427 178.840 176.300 0.188 0.000 1.073 109 M CA 1.776 57.168 55.300 0.153 0.000 1.124 109 M CB -0.406 32.375 32.600 0.301 0.000 1.326 109 M HN 0.222 nan 8.290 nan 0.000 0.410 110 A N -0.099 122.837 122.820 0.193 0.000 1.940 110 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 110 A C 2.068 179.672 177.584 0.033 0.000 1.176 110 A CA 1.593 53.653 52.037 0.038 0.000 0.631 110 A CB -0.699 18.269 19.000 -0.054 0.000 0.814 110 A HN 0.453 nan 8.150 nan 0.000 0.446 111 E N 0.008 120.225 120.200 0.028 0.000 2.038 111 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 111 E C 1.869 178.456 176.600 -0.021 0.000 1.000 111 E CA 1.724 58.123 56.400 -0.003 0.000 0.803 111 E CB -0.364 29.306 29.700 -0.050 0.000 0.750 111 E HN 0.862 nan 8.360 nan 0.000 0.448 112 I N -1.454 119.098 120.570 -0.030 0.000 3.605 112 I HA -0.000 4.170 4.170 -0.000 0.000 0.301 112 I C 1.541 177.686 176.117 0.046 0.000 1.267 112 I CA 0.423 61.708 61.300 -0.025 0.000 1.236 112 I CB -0.071 37.911 38.000 -0.030 0.000 1.010 112 I HN -0.042 nan 8.210 nan 0.000 0.491 113 L N -0.271 120.991 121.223 0.065 0.000 2.575 113 L HA 0.212 4.552 4.340 -0.000 0.000 0.228 113 L C 2.297 179.208 176.870 0.069 0.000 1.075 113 L CA -0.026 54.854 54.840 0.067 0.000 0.867 113 L CB -0.250 41.846 42.059 0.062 0.000 1.097 113 L HN 0.094 nan 8.230 nan 0.000 0.485 114 K N 0.231 120.691 120.400 0.100 0.000 2.007 114 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 114 K C 2.029 178.703 176.600 0.123 0.000 1.047 114 K CA 1.570 57.919 56.287 0.104 0.000 0.937 114 K CB -0.214 32.375 32.500 0.148 0.000 0.718 114 K HN 0.242 nan 8.250 nan 0.000 0.438 115 H N -0.224 118.846 119.070 -0.001 0.000 2.456 115 H HA -0.020 4.536 4.556 -0.000 0.000 0.296 115 H C 2.087 177.416 175.328 0.002 0.000 1.079 115 H CA 1.388 57.436 56.048 0.000 0.000 1.322 115 H CB -0.167 29.596 29.762 0.002 0.000 1.388 115 H HN 0.085 nan 8.280 nan 0.000 0.538 116 S N -1.496 114.280 115.700 0.127 0.000 2.453 116 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 116 S C 1.893 176.516 174.600 0.039 0.000 1.005 116 S CA 1.152 59.394 58.200 0.070 0.000 0.949 116 S CB -0.235 63.000 63.200 0.059 0.000 0.774 116 S HN 0.789 nan 8.310 nan 0.000 0.510 117 G N -0.447 108.371 108.800 0.030 0.000 2.612 117 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.200 117 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.200 117 G C 0.105 175.007 174.900 0.002 0.000 1.053 117 G CA -0.207 44.896 45.100 0.006 0.000 0.707 117 G HN 0.600 nan 8.290 nan 0.000 0.497 118 V N 2.458 122.378 119.914 0.010 0.000 2.613 118 V HA 0.116 4.236 4.120 -0.000 0.000 0.289 118 V C 1.514 177.601 176.094 -0.011 0.000 0.985 118 V CA 2.144 64.444 62.300 -0.000 0.000 1.181 118 V CB 0.742 32.568 31.823 0.004 0.000 0.883 118 V HN 0.593 nan 8.190 nan 0.000 0.465 119 K N 3.957 124.346 120.400 -0.018 0.000 2.373 119 K HA 0.391 4.711 4.320 -0.000 0.000 0.200 119 K C -0.126 176.455 176.600 -0.031 0.000 1.054 119 K CA 0.127 56.399 56.287 -0.025 0.000 1.065 119 K CB 1.049 33.536 32.500 -0.023 0.000 0.886 119 K HN 0.526 nan 8.250 nan 0.000 0.546 120 V N 1.546 121.442 119.914 -0.030 0.000 2.737 120 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 120 V C -1.883 174.190 176.094 -0.034 0.000 1.163 120 V CA -0.755 61.524 62.300 -0.034 0.000 0.925 120 V CB 1.466 33.272 31.823 -0.028 0.000 1.037 120 V HN 0.079 nan 8.190 nan 0.000 0.433 121 I N 6.782 127.325 120.570 -0.044 0.000 2.321 121 I HA 0.474 4.643 4.170 -0.000 0.000 0.291 121 I C 0.977 177.068 176.117 -0.043 0.000 0.998 121 I CA -0.398 60.875 61.300 -0.045 0.000 1.227 121 I CB 1.735 39.699 38.000 -0.059 0.000 1.368 121 I HN 0.638 nan 8.210 nan 0.000 0.466 122 K N 3.705 124.084 120.400 -0.035 0.000 2.305 122 K HA 0.111 4.431 4.320 -0.000 0.000 0.199 122 K C 1.263 177.841 176.600 -0.036 0.000 1.047 122 K CA 0.236 56.504 56.287 -0.030 0.000 0.976 122 K CB 0.236 32.724 32.500 -0.021 0.000 0.765 122 K HN 0.838 nan 8.250 nan 0.000 0.474 123 G N 0.964 109.734 108.800 -0.050 0.000 2.666 123 G HA2 0.113 4.072 3.960 -0.000 0.000 0.207 123 G HA3 0.113 4.072 3.960 -0.000 0.000 0.207 123 G C -0.309 174.546 174.900 -0.076 0.000 1.481 123 G CA -0.597 44.466 45.100 -0.062 0.000 1.071 123 G HN 0.097 nan 8.290 nan 0.000 0.572 124 N N -0.649 117.987 118.700 -0.108 0.000 2.477 124 N HA 0.322 5.062 4.740 -0.000 0.000 0.284 124 N C -1.158 174.267 175.510 -0.142 0.000 1.182 124 N CA -0.606 52.384 53.050 -0.100 0.000 0.949 124 N CB 2.435 40.876 38.487 -0.077 0.000 1.204 124 N HN 0.128 nan 8.380 nan 0.000 0.526 125 L N 2.508 123.676 121.223 -0.091 0.000 2.255 125 L HA 0.460 4.800 4.340 -0.000 0.000 0.289 125 L C -0.992 175.846 176.870 -0.054 0.000 1.046 125 L CA -0.420 54.379 54.840 -0.069 0.000 0.816 125 L CB 0.198 42.236 42.059 -0.035 0.000 1.197 125 L HN 0.403 nan 8.230 nan 0.000 0.427 126 I N 4.005 124.523 120.570 -0.087 0.000 2.378 126 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 126 I C 0.655 176.827 176.117 0.092 0.000 0.992 126 I CA -0.462 60.844 61.300 0.010 0.000 1.154 126 I CB 1.860 39.882 38.000 0.037 0.000 1.315 126 I HN 0.555 nan 8.210 nan 0.000 0.448 127 G N 3.698 112.538 108.800 0.066 0.000 2.350 127 G HA2 0.247 4.206 3.960 -0.000 0.000 0.306 127 G HA3 0.247 4.206 3.960 -0.000 0.000 0.306 127 G C -0.850 174.088 174.900 0.063 0.000 1.094 127 G CA -0.182 44.939 45.100 0.035 0.000 0.953 127 G HN 0.564 nan 8.290 nan 0.000 0.420 128 D N 2.314 122.753 120.400 0.064 0.000 2.412 128 D HA 0.187 4.826 4.640 -0.000 0.000 0.224 128 D C 0.124 176.438 176.300 0.024 0.000 1.093 128 D CA -0.733 53.298 54.000 0.052 0.000 0.850 128 D CB 1.444 42.267 40.800 0.039 0.000 1.046 128 D HN 0.426 nan 8.370 nan 0.000 0.507 129 D N 0.997 121.417 120.400 0.034 0.000 2.501 129 D HA -0.047 4.592 4.640 -0.000 0.000 0.226 129 D C 1.211 177.551 176.300 0.066 0.000 1.198 129 D CA -0.156 53.865 54.000 0.034 0.000 0.830 129 D CB -0.197 40.621 40.800 0.029 0.000 1.014 129 D HN 0.273 nan 8.370 nan 0.000 0.496 130 T N -4.125 110.475 114.554 0.076 0.000 3.051 130 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 130 T C 1.505 176.277 174.700 0.121 0.000 1.127 130 T CA 0.052 62.201 62.100 0.081 0.000 1.107 130 T CB -0.872 68.030 68.868 0.056 0.000 0.898 130 T HN 0.425 nan 8.240 nan 0.000 0.517 131 W N 2.118 123.366 121.300 -0.087 0.000 2.321 131 W HA -0.141 4.519 4.660 -0.001 0.000 0.306 131 W C 0.276 176.791 176.519 -0.007 0.000 1.217 131 W CA 1.179 58.457 57.345 -0.111 0.000 1.257 131 W CB -0.045 29.265 29.460 -0.250 0.000 1.145 131 W HN 0.369 nan 8.180 nan 0.000 0.509 132 H N -0.082 119.044 119.070 0.092 0.000 2.676 132 H HA 0.141 4.696 4.556 -0.001 0.000 0.352 132 H C 0.180 175.483 175.328 -0.043 0.000 1.193 132 H CA -0.417 55.600 56.048 -0.051 0.000 1.243 132 H CB 0.570 30.314 29.762 -0.030 0.000 1.751 132 H HN -0.101 nan 8.280 nan 0.000 0.567 133 D N -0.559 119.879 120.400 0.064 0.000 2.312 133 D HA -0.110 4.530 4.640 -0.000 0.000 0.244 133 D C 0.752 177.090 176.300 0.063 0.000 1.328 133 D CA -0.176 53.848 54.000 0.040 0.000 0.965 133 D CB 0.528 41.341 40.800 0.023 0.000 1.140 133 D HN 0.623 nan 8.370 nan 0.000 0.523 134 D N -1.522 118.914 120.400 0.060 0.000 2.350 134 D HA -0.054 4.586 4.640 -0.000 0.000 0.213 134 D C 0.682 177.028 176.300 0.076 0.000 1.031 134 D CA -0.212 53.824 54.000 0.060 0.000 0.861 134 D CB -0.187 40.642 40.800 0.048 0.000 0.926 134 D HN 0.301 nan 8.370 nan 0.000 0.520 135 M N 0.906 120.577 119.600 0.119 0.000 2.246 135 M HA 0.099 4.579 4.480 -0.000 0.000 0.350 135 M C 0.808 177.247 176.300 0.232 0.000 1.406 135 M CA 0.155 55.568 55.300 0.188 0.000 1.089 135 M CB 1.215 33.998 32.600 0.305 0.000 1.782 135 M HN -0.191 nan 8.290 nan 0.000 0.457 136 R N 2.705 123.306 120.500 0.168 0.000 2.397 136 R HA 0.410 4.750 4.340 -0.000 0.000 0.241 136 R C -0.671 175.752 176.300 0.206 0.000 0.914 136 R CA 0.403 56.590 56.100 0.145 0.000 1.071 136 R CB 0.555 30.844 30.300 -0.019 0.000 1.116 136 R HN 0.562 nan 8.270 nan 0.000 0.524 137 L N -0.725 120.615 121.223 0.196 0.000 2.393 137 L HA 0.459 4.799 4.340 -0.000 0.000 0.260 137 L C -0.257 176.421 176.870 -0.319 0.000 1.002 137 L CA -1.097 53.777 54.840 0.057 0.000 0.818 137 L CB 2.210 44.273 42.059 0.006 0.000 1.369 137 L HN -0.120 nan 8.230 nan 0.000 0.412 138 S N 1.415 116.871 115.700 -0.407 0.000 2.573 138 S HA 0.062 4.532 4.470 -0.000 0.000 0.277 138 S C -1.625 172.584 174.600 -0.652 0.000 1.346 138 S CA -0.731 56.956 58.200 -0.855 0.000 1.034 138 S CB 0.940 63.917 63.200 -0.373 0.000 0.879 138 S HN 0.462 nan 8.310 nan 0.000 0.528 139 P HA -0.113 nan 4.420 nan 0.000 0.215 139 P C 0.191 177.368 177.300 -0.205 0.000 1.163 139 P CA 1.211 64.073 63.100 -0.395 0.000 0.894 139 P CB 0.119 31.601 31.700 -0.364 0.000 0.791 140 D N -1.809 118.488 120.400 -0.173 0.000 2.525 140 D HA 0.118 4.758 4.640 -0.000 0.000 0.229 140 D C 0.344 176.620 176.300 -0.041 0.000 1.202 140 D CA 0.029 53.985 54.000 -0.072 0.000 0.828 140 D CB -0.374 40.402 40.800 -0.041 0.000 1.008 140 D HN 0.231 nan 8.370 nan 0.000 0.493 141 M N 1.891 121.451 119.600 -0.066 0.000 2.120 141 M HA 0.257 4.737 4.480 -0.000 0.000 0.354 141 M C -2.419 173.885 176.300 0.006 0.000 1.287 141 M CA -1.291 53.988 55.300 -0.034 0.000 1.103 141 M CB 0.975 33.539 32.600 -0.060 0.000 1.623 141 M HN -0.328 nan 8.290 nan 0.000 0.471 142 P HA -0.137 nan 4.420 nan 0.000 0.264 142 P C 0.278 177.544 177.300 -0.056 0.000 1.179 142 P CA 0.125 63.229 63.100 0.007 0.000 0.763 142 P CB 0.151 31.820 31.700 -0.053 0.000 0.806 143 W N 2.541 123.818 121.300 -0.037 0.000 2.465 143 W HA -0.100 4.559 4.660 -0.000 0.000 0.268 143 W C 0.786 177.209 176.519 -0.160 0.000 1.242 143 W CA 1.192 58.462 57.345 -0.125 0.000 1.248 143 W CB -1.928 27.468 29.460 -0.106 0.000 1.118 143 W HN 0.328 nan 8.180 nan 0.000 0.587 144 S N 0.082 114.903 115.700 -1.465 0.000 2.555 144 S HA -0.122 4.348 4.470 -0.000 0.000 0.230 144 S C 0.854 175.105 174.600 -0.581 0.000 0.978 144 S CA 1.160 58.570 58.200 -1.316 0.000 0.934 144 S CB -0.397 62.183 63.200 -1.033 0.000 0.766 144 S HN 0.113 nan 8.310 nan 0.000 0.533 145 D N 1.260 121.374 120.400 -0.476 0.000 2.398 145 D HA 0.124 4.764 4.640 -0.000 0.000 0.210 145 D C 1.456 177.440 176.300 -0.526 0.000 1.094 145 D CA 0.056 53.733 54.000 -0.539 0.000 0.839 145 D CB -0.032 40.551 40.800 -0.362 0.000 0.963 145 D HN 0.517 nan 8.370 nan 0.000 0.506 146 E N 0.384 120.407 120.200 -0.295 0.000 2.147 146 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 146 E C 1.779 178.339 176.600 -0.067 0.000 1.005 146 E CA 1.210 57.549 56.400 -0.102 0.000 0.810 146 E CB -0.283 29.443 29.700 0.043 0.000 0.736 146 E HN 0.563 nan 8.360 nan 0.000 0.460 147 Y N 0.341 120.573 120.300 -0.114 0.000 2.490 147 Y HA 0.218 4.768 4.550 -0.000 0.000 0.285 147 Y C 1.322 177.160 175.900 -0.103 0.000 1.117 147 Y CA 0.223 58.287 58.100 -0.060 0.000 1.262 147 Y CB -0.418 38.012 38.460 -0.050 0.000 1.043 147 Y HN -0.300 nan 8.280 nan 0.000 0.553 148 T N 0.994 114.868 114.554 -1.135 0.000 2.795 148 T HA -0.052 4.298 4.350 -0.000 0.000 0.314 148 T C 0.805 175.184 174.700 -0.536 0.000 1.069 148 T CA 0.420 61.904 62.100 -1.026 0.000 1.071 148 T CB 0.313 68.240 68.868 -1.569 0.000 0.988 148 T HN 0.562 nan 8.240 nan 0.000 0.543 149 Y N 1.646 121.754 120.300 -0.321 0.000 2.286 149 Y HA -0.018 4.532 4.550 -0.000 0.000 0.293 149 Y C 1.860 177.697 175.900 -0.105 0.000 1.124 149 Y CA 1.084 59.135 58.100 -0.083 0.000 1.178 149 Y CB -1.154 37.360 38.460 0.090 0.000 1.010 149 Y HN 0.790 nan 8.280 nan 0.000 0.536 150 Y N -0.070 119.755 120.300 -0.792 0.000 2.632 150 Y HA 0.455 5.004 4.550 -0.001 0.000 0.301 150 Y C 1.730 177.478 175.900 -0.254 0.000 1.172 150 Y CA 0.067 57.860 58.100 -0.511 0.000 1.328 150 Y CB -0.541 37.492 38.460 -0.713 0.000 1.016 150 Y HN 0.143 nan 8.280 nan 0.000 0.529 151 G N -0.120 108.348 108.800 -0.554 0.000 3.377 151 G HA2 0.464 4.424 3.960 -0.000 0.000 0.257 151 G HA3 0.464 4.424 3.960 -0.000 0.000 0.257 151 G C 0.472 175.272 174.900 -0.166 0.000 1.038 151 G CA 0.018 44.910 45.100 -0.348 0.000 0.809 151 G HN 0.571 nan 8.290 nan 0.000 0.526 152 A N 0.906 123.671 122.820 -0.092 0.000 2.492 152 A HA 0.539 4.859 4.320 -0.000 0.000 0.236 152 A C -2.023 175.602 177.584 0.068 0.000 1.078 152 A CA -0.536 51.512 52.037 0.020 0.000 0.773 152 A CB 0.004 19.056 19.000 0.086 0.000 1.023 152 A HN 0.180 nan 8.150 nan 0.000 0.504 153 P HA 0.180 nan 4.420 nan 0.000 0.269 153 P C -0.725 176.649 177.300 0.123 0.000 1.215 153 P CA 0.167 63.319 63.100 0.088 0.000 0.780 153 P CB 0.332 32.059 31.700 0.044 0.000 0.898 154 I N 1.246 121.904 120.570 0.147 0.000 2.378 154 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 154 I C 0.263 176.438 176.117 0.097 0.000 0.992 154 I CA -0.182 61.195 61.300 0.130 0.000 1.154 154 I CB 0.926 39.016 38.000 0.150 0.000 1.315 154 I HN 0.256 nan 8.210 nan 0.000 0.448 155 S N 3.397 119.151 115.700 0.090 0.000 2.556 155 S HA 0.705 5.175 4.470 -0.000 0.000 0.271 155 S C 0.662 175.307 174.600 0.076 0.000 1.135 155 S CA 0.102 58.353 58.200 0.085 0.000 0.858 155 S CB 1.964 65.204 63.200 0.067 0.000 1.114 155 S HN 0.703 nan 8.310 nan 0.000 0.468 156 A N 2.810 125.657 122.820 0.046 0.000 1.969 156 A HA 0.238 4.557 4.320 -0.000 0.000 0.218 156 A C 0.834 178.377 177.584 -0.069 0.000 1.169 156 A CA 0.773 52.757 52.037 -0.089 0.000 0.635 156 A CB -0.334 18.593 19.000 -0.122 0.000 0.810 156 A HN 0.731 nan 8.150 nan 0.000 0.445 157 L N 0.267 121.478 121.223 -0.021 0.000 2.298 157 L HA 0.545 4.885 4.340 -0.000 0.000 0.284 157 L C -0.438 176.444 176.870 0.019 0.000 1.013 157 L CA 0.048 54.877 54.840 -0.018 0.000 0.824 157 L CB 1.515 43.558 42.059 -0.027 0.000 1.221 157 L HN 0.324 nan 8.230 nan 0.000 0.418 158 T N 3.065 117.648 114.554 0.048 0.000 2.648 158 T HA 0.845 5.194 4.350 -0.000 0.000 0.304 158 T C -1.882 172.905 174.700 0.145 0.000 1.312 158 T CA 0.067 62.226 62.100 0.099 0.000 1.023 158 T CB 1.837 70.773 68.868 0.112 0.000 1.612 158 T HN 0.775 nan 8.240 nan 0.000 0.487 159 A N 0.760 123.683 122.820 0.172 0.000 2.604 159 A HA 0.755 5.074 4.320 -0.000 0.000 0.295 159 A C -1.044 176.695 177.584 0.258 0.000 1.067 159 A CA -0.532 51.606 52.037 0.170 0.000 0.683 159 A CB 1.700 20.770 19.000 0.116 0.000 1.281 159 A HN 0.678 nan 8.150 nan 0.000 0.407 160 S N 1.860 117.702 115.700 0.238 0.000 2.537 160 S HA 0.691 5.160 4.470 -0.000 0.000 0.301 160 S C -1.896 172.860 174.600 0.259 0.000 1.092 160 S CA -1.158 57.223 58.200 0.301 0.000 1.048 160 S CB 1.825 65.243 63.200 0.363 0.000 1.053 160 S HN 0.648 nan 8.310 nan 0.000 0.501 161 P HA 0.022 nan 4.420 nan 0.000 0.221 161 P C -0.103 177.282 177.300 0.142 0.000 1.155 161 P CA 1.009 64.225 63.100 0.192 0.000 0.812 161 P CB 0.000 31.787 31.700 0.144 0.000 0.801 162 N N -0.979 117.813 118.700 0.153 0.000 3.316 162 N HA 0.084 4.823 4.740 -0.000 0.000 0.300 162 N C 0.076 175.447 175.510 -0.232 0.000 1.567 162 N CA -0.713 52.358 53.050 0.034 0.000 0.821 162 N CB -0.026 38.531 38.487 0.118 0.000 1.748 162 N HN -0.274 nan 8.380 nan 0.000 0.603 163 E N -1.028 118.937 120.200 -0.391 0.000 2.416 163 E HA 0.057 4.407 4.350 -0.000 0.000 0.189 163 E C -0.429 175.624 176.600 -0.912 0.000 1.091 163 E CA 0.137 55.954 56.400 -0.971 0.000 0.889 163 E CB -0.053 29.367 29.700 -0.466 0.000 1.015 163 E HN 0.395 nan 8.360 nan 0.000 0.479 164 D N -0.444 119.666 120.400 -0.484 0.000 2.346 164 D HA -0.038 4.601 4.640 -0.000 0.000 0.206 164 D C -0.508 175.748 176.300 -0.073 0.000 1.001 164 D CA 0.227 54.076 54.000 -0.252 0.000 0.871 164 D CB 0.139 40.773 40.800 -0.277 0.000 0.943 164 D HN 0.102 nan 8.370 nan 0.000 0.518 165 Y N 0.614 120.976 120.300 0.103 0.000 3.057 165 Y HA -0.218 4.332 4.550 -0.000 0.000 0.192 165 Y C -0.477 175.532 175.900 0.181 0.000 1.448 165 Y CA -0.372 57.833 58.100 0.175 0.000 1.065 165 Y CB -2.397 36.218 38.460 0.258 0.000 1.369 165 Y HN 0.021 nan 8.280 nan 0.000 0.460 166 D N 1.161 121.706 120.400 0.243 0.000 2.558 166 D HA 0.446 5.086 4.640 -0.000 0.000 0.221 166 D C 0.815 177.291 176.300 0.293 0.000 1.143 166 D CA 0.489 54.621 54.000 0.221 0.000 1.010 166 D CB 0.354 41.261 40.800 0.180 0.000 1.068 166 D HN 0.540 nan 8.370 nan 0.000 0.511 167 A N 0.423 123.415 122.820 0.287 0.000 2.561 167 A HA 0.368 4.687 4.320 -0.000 0.000 0.234 167 A C 1.552 179.291 177.584 0.259 0.000 1.055 167 A CA 0.705 52.898 52.037 0.261 0.000 0.756 167 A CB 0.106 19.221 19.000 0.191 0.000 0.986 167 A HN 0.725 nan 8.150 nan 0.000 0.505 168 G N 1.049 110.037 108.800 0.313 0.000 2.147 168 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.244 168 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.244 168 G C 0.378 175.384 174.900 0.177 0.000 1.005 168 G CA 1.240 46.504 45.100 0.272 0.000 0.713 168 G HN 2.502 nan 8.290 nan 0.000 0.515 169 T N -3.267 111.432 114.554 0.241 0.000 2.887 169 T HA 0.888 5.238 4.350 -0.000 0.000 0.292 169 T C -0.165 174.600 174.700 0.109 0.000 1.087 169 T CA -0.182 62.011 62.100 0.153 0.000 1.009 169 T CB 2.855 71.908 68.868 0.308 0.000 1.203 169 T HN 1.689 nan 8.240 nan 0.000 0.518 170 V N -1.159 118.757 119.914 0.004 0.000 3.040 170 V HA 0.773 4.893 4.120 -0.000 0.000 0.312 170 V C -0.780 175.202 176.094 -0.187 0.000 1.115 170 V CA -1.408 60.873 62.300 -0.032 0.000 0.998 170 V CB 1.511 33.298 31.823 -0.061 0.000 1.042 170 V HN 1.025 nan 8.190 nan 0.000 0.433 171 I N 2.391 122.778 120.570 -0.305 0.000 2.336 171 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 171 I C -0.671 175.268 176.117 -0.297 0.000 0.991 171 I CA -0.810 60.155 61.300 -0.558 0.000 1.227 171 I CB 1.833 39.359 38.000 -0.790 0.000 1.366 171 I HN 0.436 nan 8.210 nan 0.000 0.466 172 V N 5.859 125.633 119.914 -0.234 0.000 2.334 172 V HA 0.282 4.402 4.120 -0.000 0.000 0.281 172 V C -0.043 175.984 176.094 -0.111 0.000 1.016 172 V CA -0.607 61.620 62.300 -0.121 0.000 0.832 172 V CB 1.311 33.101 31.823 -0.055 0.000 0.999 172 V HN 0.712 nan 8.190 nan 0.000 0.439 173 E N 3.931 124.074 120.200 -0.096 0.000 2.092 173 E HA 0.510 4.860 4.350 -0.000 0.000 0.271 173 E C -1.253 175.326 176.600 -0.035 0.000 0.919 173 E CA -0.457 55.902 56.400 -0.069 0.000 0.760 173 E CB 1.685 31.339 29.700 -0.076 0.000 1.106 173 E HN 0.525 nan 8.360 nan 0.000 0.408 174 V N 4.518 124.421 119.914 -0.018 0.000 2.350 174 V HA 0.296 4.416 4.120 -0.000 0.000 0.276 174 V C 0.144 176.236 176.094 -0.003 0.000 1.028 174 V CA -0.359 61.936 62.300 -0.008 0.000 0.860 174 V CB 1.462 33.285 31.823 -0.000 0.000 0.990 174 V HN 0.696 nan 8.190 nan 0.000 0.453 175 T N 7.867 122.419 114.554 -0.004 0.000 2.887 175 T HA 0.525 4.875 4.350 -0.000 0.000 0.288 175 T C -2.715 171.985 174.700 -0.000 0.000 1.021 175 T CA -1.192 60.907 62.100 -0.001 0.000 1.000 175 T CB 2.475 71.341 68.868 -0.003 0.000 1.034 175 T HN 0.475 nan 8.240 nan 0.000 0.467 176 P HA 0.259 nan 4.420 nan 0.000 0.281 176 P C -1.029 176.271 177.300 0.000 0.000 1.249 176 P CA -0.552 62.549 63.100 0.001 0.000 0.810 176 P CB 0.818 32.520 31.700 0.003 0.000 1.008 177 N N 0.234 118.934 118.700 -0.000 0.000 2.502 177 N HA 0.152 4.892 4.740 -0.000 0.000 0.280 177 N C -0.230 175.280 175.510 0.000 0.000 1.223 177 N CA -0.824 52.226 53.050 -0.000 0.000 0.966 177 N CB 0.406 38.892 38.487 -0.001 0.000 1.203 177 N HN 0.189 nan 8.380 nan 0.000 0.565 178 Q N 1.225 121.025 119.800 0.000 0.000 2.274 178 Q HA 0.092 4.432 4.340 -0.000 0.000 0.280 178 Q C -0.563 175.437 176.000 0.000 0.000 1.047 178 Q CA 0.527 56.330 55.803 0.000 0.000 0.907 178 Q CB 0.271 29.009 28.738 0.000 0.000 1.171 178 Q HN 0.514 nan 8.270 nan 0.000 0.381 179 K N 1.290 121.690 120.400 0.001 0.000 7.055 179 K HA -0.155 4.165 4.320 -0.000 0.000 0.623 179 K C -0.649 175.951 176.600 0.000 0.000 2.571 179 K CA 0.514 56.802 56.287 0.000 0.000 1.982 179 K CB -0.293 32.207 32.500 0.000 0.000 2.344 179 K HN 0.761 nan 8.250 nan 0.000 0.202 180 E N 0.221 120.421 120.200 0.001 0.000 2.392 180 E HA 0.394 4.744 4.350 -0.000 0.000 0.256 180 E C 1.366 177.966 176.600 -0.000 0.000 1.145 180 E CA 0.400 56.801 56.400 0.001 0.000 0.929 180 E CB 0.275 29.976 29.700 0.001 0.000 0.998 180 E HN 0.771 nan 8.360 nan 0.000 0.442 181 G N 0.801 109.601 108.800 -0.000 0.000 2.383 181 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.229 181 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.229 181 G C 0.297 175.196 174.900 -0.002 0.000 1.089 181 G CA 0.410 45.509 45.100 -0.001 0.000 0.640 181 G HN 0.506 nan 8.290 nan 0.000 0.510 182 E N 2.349 122.548 120.200 -0.001 0.000 2.360 182 E HA 0.483 4.833 4.350 -0.000 0.000 0.269 182 E C 0.888 177.487 176.600 -0.002 0.000 1.022 182 E CA 0.080 56.479 56.400 -0.002 0.000 0.887 182 E CB 0.302 30.001 29.700 -0.002 0.000 0.990 182 E HN 0.668 nan 8.360 nan 0.000 0.426 183 E N 5.104 125.302 120.200 -0.003 0.000 2.392 183 E HA 0.151 4.501 4.350 -0.000 0.000 0.264 183 E C -2.032 174.566 176.600 -0.004 0.000 1.024 183 E CA -1.680 54.718 56.400 -0.004 0.000 0.903 183 E CB 0.192 29.889 29.700 -0.005 0.000 0.963 183 E HN 0.244 nan 8.360 nan 0.000 0.432 184 P HA -0.028 nan 4.420 nan 0.000 0.269 184 P C -0.614 176.684 177.300 -0.005 0.000 1.215 184 P CA -0.125 62.974 63.100 -0.003 0.000 0.780 184 P CB 0.786 32.485 31.700 -0.002 0.000 0.898 185 A N 2.468 125.285 122.820 -0.005 0.000 2.407 185 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 185 A C -0.177 177.402 177.584 -0.009 0.000 1.082 185 A CA -0.197 51.836 52.037 -0.006 0.000 0.785 185 A CB 0.051 19.047 19.000 -0.006 0.000 1.020 185 A HN 0.387 nan 8.150 nan 0.000 0.489 186 V N 2.283 122.190 119.914 -0.011 0.000 2.462 186 V HA 0.351 4.471 4.120 -0.000 0.000 0.288 186 V C 0.185 176.268 176.094 -0.018 0.000 1.020 186 V CA -0.371 61.920 62.300 -0.015 0.000 0.857 186 V CB 1.413 33.228 31.823 -0.014 0.000 1.013 186 V HN 0.987 nan 8.190 nan 0.000 0.431 187 S N 4.246 119.930 115.700 -0.026 0.000 2.554 187 S HA 0.753 5.223 4.470 -0.000 0.000 0.278 187 S C -0.640 173.934 174.600 -0.043 0.000 1.242 187 S CA -0.364 57.818 58.200 -0.030 0.000 1.051 187 S CB 1.406 64.585 63.200 -0.035 0.000 0.986 187 S HN 0.493 nan 8.310 nan 0.000 0.502 188 V N 4.369 124.264 119.914 -0.032 0.000 2.483 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.297 188 V C -0.733 175.348 176.094 -0.022 0.000 1.027 188 V CA -0.671 61.609 62.300 -0.034 0.000 0.855 188 V CB 1.797 33.616 31.823 -0.007 0.000 0.995 188 V HN 0.928 nan 8.190 nan 0.000 0.424 189 S N 7.317 122.987 115.700 -0.051 0.000 2.552 189 S HA 0.597 5.066 4.470 -0.000 0.000 0.314 189 S C -2.611 172.003 174.600 0.023 0.000 1.099 189 S CA -1.163 57.024 58.200 -0.021 0.000 1.070 189 S CB 2.116 65.278 63.200 -0.062 0.000 0.998 189 S HN 0.620 nan 8.310 nan 0.000 0.474 190 P HA 0.247 nan 4.420 nan 0.000 0.277 190 P C -1.049 176.316 177.300 0.110 0.000 1.271 190 P CA -0.726 62.439 63.100 0.107 0.000 0.795 190 P CB 0.662 32.443 31.700 0.135 0.000 1.101 191 K N 0.570 121.021 120.400 0.083 0.000 2.349 191 K HA 0.402 4.721 4.320 -0.000 0.000 0.288 191 K C 0.015 176.681 176.600 0.109 0.000 1.058 191 K CA 0.132 56.464 56.287 0.075 0.000 0.953 191 K CB 0.085 32.615 32.500 0.049 0.000 0.997 191 K HN 0.443 nan 8.250 nan 0.000 0.477 192 T N 0.702 115.333 114.554 0.128 0.000 2.883 192 T HA 0.184 4.534 4.350 -0.000 0.000 0.301 192 T C -0.210 174.578 174.700 0.147 0.000 1.158 192 T CA -0.852 61.352 62.100 0.174 0.000 1.007 192 T CB 1.681 70.729 68.868 0.300 0.000 1.186 192 T HN 0.425 nan 8.240 nan 0.000 0.499 193 D N -0.357 120.147 120.400 0.174 0.000 2.379 193 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 193 D C 0.145 176.542 176.300 0.163 0.000 1.065 193 D CA 0.317 54.398 54.000 0.135 0.000 0.848 193 D CB 0.323 41.194 40.800 0.119 0.000 0.949 193 D HN 0.439 nan 8.370 nan 0.000 0.509 194 Y N 0.998 121.361 120.300 0.106 0.000 2.676 194 Y HA 0.219 4.769 4.550 -0.000 0.000 0.331 194 Y C -0.205 175.738 175.900 0.072 0.000 1.128 194 Y CA 0.103 58.274 58.100 0.118 0.000 1.360 194 Y CB 0.016 38.598 38.460 0.203 0.000 1.176 194 Y HN -0.194 nan 8.280 nan 0.000 0.518 195 I N 0.478 121.091 120.570 0.070 0.000 2.731 195 I HA 0.048 4.218 4.170 -0.000 0.000 0.286 195 I C -0.694 175.429 176.117 0.011 0.000 1.421 195 I CA -0.315 60.999 61.300 0.024 0.000 1.071 195 I CB 1.715 39.736 38.000 0.034 0.000 1.375 195 I HN 0.022 nan 8.210 nan 0.000 0.425 196 T N 4.900 119.446 114.554 -0.015 0.000 2.807 196 T HA 0.730 5.080 4.350 -0.000 0.000 0.279 196 T C -0.359 174.331 174.700 -0.017 0.000 0.993 196 T CA -0.705 61.386 62.100 -0.015 0.000 0.970 196 T CB 1.895 70.746 68.868 -0.028 0.000 0.950 196 T HN 0.207 nan 8.240 nan 0.000 0.441 197 I N 2.650 123.213 120.570 -0.013 0.000 2.440 197 I HA 0.438 4.608 4.170 -0.000 0.000 0.294 197 I C 0.400 176.505 176.117 -0.019 0.000 0.995 197 I CA -0.655 60.636 61.300 -0.016 0.000 1.306 197 I CB 1.421 39.414 38.000 -0.012 0.000 1.407 197 I HN 0.813 nan 8.210 nan 0.000 0.501 198 K N 5.124 125.510 120.400 -0.024 0.000 2.507 198 K HA 0.252 4.572 4.320 -0.000 0.000 0.253 198 K C -0.450 176.136 176.600 -0.022 0.000 0.969 198 K CA -0.423 55.850 56.287 -0.024 0.000 0.908 198 K CB 0.740 33.222 32.500 -0.031 0.000 1.127 198 K HN 0.403 nan 8.250 nan 0.000 0.437 199 N N 4.117 122.806 118.700 -0.018 0.000 3.229 199 N HA 0.069 4.809 4.740 -0.000 0.000 0.275 199 N C -1.044 174.457 175.510 -0.014 0.000 1.225 199 N CA -0.113 52.927 53.050 -0.015 0.000 1.119 199 N CB 0.615 39.095 38.487 -0.012 0.000 1.392 199 N HN 0.552 nan 8.380 nan 0.000 0.520 200 D N 0.600 120.990 120.400 -0.017 0.000 2.881 200 D HA 0.157 4.797 4.640 -0.000 0.000 0.240 200 D C 0.173 176.466 176.300 -0.012 0.000 1.249 200 D CA 0.066 54.057 54.000 -0.014 0.000 0.839 200 D CB 0.378 41.168 40.800 -0.017 0.000 1.042 200 D HN 0.376 nan 8.370 nan 0.000 0.475 201 A N 1.051 123.865 122.820 -0.010 0.000 2.387 201 A HA 0.787 5.107 4.320 -0.000 0.000 0.298 201 A C -0.246 177.335 177.584 -0.005 0.000 1.165 201 A CA -0.704 51.328 52.037 -0.007 0.000 0.814 201 A CB 2.093 21.088 19.000 -0.007 0.000 1.357 201 A HN 0.115 nan 8.150 nan 0.000 0.443 202 K N -0.665 119.733 120.400 -0.003 0.000 2.568 202 K HA 0.541 4.861 4.320 -0.000 0.000 0.273 202 K C -1.190 175.410 176.600 -0.000 0.000 0.951 202 K CA -0.488 55.797 56.287 -0.002 0.000 0.854 202 K CB 1.229 33.728 32.500 -0.002 0.000 1.424 202 K HN 0.711 nan 8.250 nan 0.000 0.427 203 T N -0.299 114.255 114.554 -0.000 0.000 2.761 203 T HA 0.249 4.599 4.350 -0.000 0.000 0.296 203 T C 0.556 175.257 174.700 0.001 0.000 0.934 203 T CA -0.325 61.776 62.100 0.001 0.000 1.091 203 T CB 0.518 69.387 68.868 0.001 0.000 0.896 203 T HN 0.651 nan 8.240 nan 0.000 0.515 204 T N 0.567 115.122 114.554 0.002 0.000 2.884 204 T HA 0.734 5.083 4.350 -0.000 0.000 0.277 204 T C 0.510 175.212 174.700 0.003 0.000 0.976 204 T CA -0.870 61.232 62.100 0.003 0.000 0.956 204 T CB 0.719 69.589 68.868 0.003 0.000 1.113 204 T HN 0.980 nan 8.240 nan 0.000 0.554 205 A N 0.532 123.353 122.820 0.003 0.000 2.407 205 A HA 0.627 4.947 4.320 -0.000 0.000 0.248 205 A C 0.963 178.549 177.584 0.004 0.000 1.082 205 A CA -0.327 51.711 52.037 0.003 0.000 0.785 205 A CB -0.899 18.103 19.000 0.003 0.000 1.020 205 A HN 1.476 nan 8.150 nan 0.000 0.489 206 A N 0.901 123.723 122.820 0.004 0.000 2.586 206 A HA 0.446 4.766 4.320 -0.000 0.000 0.231 206 A C 1.684 179.271 177.584 0.005 0.000 1.055 206 A CA 1.173 53.212 52.037 0.004 0.000 0.756 206 A CB -0.570 18.432 19.000 0.004 0.000 0.988 206 A HN 2.783 nan 8.150 nan 0.000 0.509 207 G N 0.779 109.582 108.800 0.005 0.000 2.475 207 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.209 207 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.209 207 G C 0.736 175.640 174.900 0.006 0.000 1.127 207 G CA 0.383 45.486 45.100 0.005 0.000 0.681 207 G HN 1.541 nan 8.290 nan 0.000 0.517 208 S N 2.137 117.840 115.700 0.006 0.000 2.587 208 S HA 0.479 4.948 4.470 -0.000 0.000 0.260 208 S C 0.411 175.016 174.600 0.008 0.000 1.353 208 S CA 0.649 58.853 58.200 0.007 0.000 0.995 208 S CB 1.239 64.442 63.200 0.006 0.000 0.912 208 S HN 1.008 nan 8.310 nan 0.000 0.568 209 E N 0.353 120.559 120.200 0.009 0.000 2.334 209 E HA 0.317 4.667 4.350 -0.000 0.000 0.256 209 E C -1.292 175.316 176.600 0.012 0.000 0.958 209 E CA -1.107 55.300 56.400 0.011 0.000 0.821 209 E CB 0.552 30.259 29.700 0.012 0.000 1.269 209 E HN 0.430 nan 8.360 nan 0.000 0.413 210 K N 1.023 121.432 120.400 0.016 0.000 2.165 210 K HA 0.010 4.330 4.320 -0.000 0.000 0.270 210 K C -0.438 176.173 176.600 0.018 0.000 1.091 210 K CA 0.290 56.588 56.287 0.018 0.000 1.019 210 K CB -0.152 32.362 32.500 0.023 0.000 1.101 210 K HN 0.364 nan 8.250 nan 0.000 0.397 211 D N 3.167 123.575 120.400 0.014 0.000 2.561 211 D HA 0.044 4.684 4.640 -0.000 0.000 0.232 211 D C -0.750 175.557 176.300 0.011 0.000 1.198 211 D CA -0.331 53.676 54.000 0.013 0.000 0.826 211 D CB 0.116 40.921 40.800 0.009 0.000 0.992 211 D HN 0.195 nan 8.370 nan 0.000 0.490 212 L N 1.207 122.440 121.223 0.015 0.000 2.326 212 L HA 0.484 4.824 4.340 -0.000 0.000 0.278 212 L C 0.015 176.896 176.870 0.018 0.000 1.092 212 L CA 0.086 54.935 54.840 0.015 0.000 0.810 212 L CB 1.365 43.435 42.059 0.018 0.000 1.153 212 L HN 0.170 nan 8.230 nan 0.000 0.439 213 T N 3.298 117.857 114.554 0.007 0.000 2.991 213 T HA 0.672 5.021 4.350 -0.000 0.000 0.303 213 T C -0.640 174.051 174.700 -0.016 0.000 1.015 213 T CA -0.573 61.529 62.100 0.003 0.000 1.007 213 T CB 0.614 69.475 68.868 -0.013 0.000 1.034 213 T HN 0.372 nan 8.240 nan 0.000 0.446 214 I N 3.440 124.010 120.570 -0.000 0.000 2.406 214 I HA 0.656 4.826 4.170 -0.000 0.000 0.290 214 I C -0.157 175.913 176.117 -0.078 0.000 0.999 214 I CA -0.753 60.538 61.300 -0.016 0.000 1.124 214 I CB 1.717 39.739 38.000 0.037 0.000 1.289 214 I HN 0.918 nan 8.210 nan 0.000 0.441 215 E N 5.323 125.410 120.200 -0.189 0.000 2.429 215 E HA 0.452 4.802 4.350 -0.000 0.000 0.280 215 E C -1.338 175.118 176.600 -0.241 0.000 1.068 215 E CA -1.250 54.887 56.400 -0.439 0.000 0.837 215 E CB 2.026 30.988 29.700 -1.231 0.000 1.357 215 E HN 0.423 nan 8.360 nan 0.000 0.455 216 R N 1.246 121.644 120.500 -0.170 0.000 2.239 216 R HA 0.169 4.508 4.340 -0.000 0.000 0.332 216 R C -0.688 175.598 176.300 -0.023 0.000 0.988 216 R CA -0.377 55.712 56.100 -0.018 0.000 0.859 216 R CB 0.919 31.289 30.300 0.118 0.000 1.148 216 R HN 0.517 nan 8.270 nan 0.000 0.482 217 E N 2.678 122.851 120.200 -0.044 0.000 2.652 217 E HA -0.186 4.164 4.350 -0.000 0.000 0.255 217 E C -0.246 176.391 176.600 0.061 0.000 0.952 217 E CA 0.685 57.083 56.400 -0.003 0.000 0.947 217 E CB 0.324 30.002 29.700 -0.036 0.000 0.912 217 E HN 0.518 nan 8.360 nan 0.000 0.489 218 H N 1.627 120.727 119.070 0.050 0.000 3.192 218 H HA -0.102 4.454 4.556 -0.001 0.000 0.295 218 H C 1.383 176.590 175.328 -0.202 0.000 0.943 218 H CA 0.677 56.768 56.048 0.072 0.000 1.416 218 H CB 0.116 30.043 29.762 0.274 0.000 1.434 218 H HN 0.838 nan 8.280 nan 0.000 0.565 219 G N 3.271 111.888 108.800 -0.305 0.000 2.241 219 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 219 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 219 G C 0.491 174.578 174.900 -1.355 0.000 0.998 219 G CA 0.546 44.911 45.100 -1.226 0.000 0.621 219 G HN 0.937 nan 8.290 nan 0.000 0.519 220 T N -2.572 111.568 114.554 -0.691 0.000 2.937 220 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 220 T C 0.256 174.786 174.700 -0.283 0.000 1.012 220 T CA 0.050 61.865 62.100 -0.476 0.000 0.997 220 T CB 1.863 70.581 68.868 -0.251 0.000 1.136 220 T HN 0.127 nan 8.240 nan 0.000 0.551 221 N N 0.643 119.243 118.700 -0.168 0.000 2.538 221 N HA 0.276 5.016 4.740 -0.000 0.000 0.291 221 N C -0.755 174.717 175.510 -0.064 0.000 1.323 221 N CA -0.379 52.637 53.050 -0.057 0.000 0.934 221 N CB 0.391 38.813 38.487 -0.108 0.000 1.255 221 N HN 0.831 nan 8.380 nan 0.000 0.509 222 T N -1.484 113.032 114.554 -0.063 0.000 2.840 222 T HA 0.431 4.781 4.350 -0.000 0.000 0.287 222 T C -0.323 174.354 174.700 -0.038 0.000 0.991 222 T CA -0.678 61.391 62.100 -0.052 0.000 0.964 222 T CB 0.699 69.528 68.868 -0.064 0.000 0.954 222 T HN -0.009 nan 8.240 nan 0.000 0.438 223 I N 4.977 125.531 120.570 -0.027 0.000 2.352 223 I HA 0.288 4.457 4.170 -0.000 0.000 0.290 223 I C 0.962 177.056 176.117 -0.038 0.000 1.036 223 I CA -0.636 60.649 61.300 -0.026 0.000 1.336 223 I CB 1.251 39.245 38.000 -0.010 0.000 1.407 223 I HN 0.810 nan 8.210 nan 0.000 0.497 224 T N 5.134 119.653 114.554 -0.057 0.000 2.767 224 T HA 0.496 4.845 4.350 -0.000 0.000 0.288 224 T C -0.306 174.362 174.700 -0.053 0.000 0.963 224 T CA -0.671 61.396 62.100 -0.055 0.000 1.019 224 T CB 1.829 70.658 68.868 -0.064 0.000 0.923 224 T HN 0.315 nan 8.240 nan 0.000 0.468 225 I N 2.478 123.026 120.570 -0.036 0.000 2.378 225 I HA 0.550 4.720 4.170 -0.000 0.000 0.291 225 I C -0.354 175.748 176.117 -0.024 0.000 0.992 225 I CA -0.677 60.607 61.300 -0.027 0.000 1.154 225 I CB 1.313 39.302 38.000 -0.017 0.000 1.315 225 I HN 0.919 nan 8.210 nan 0.000 0.448 226 E N 3.806 123.992 120.200 -0.023 0.000 2.459 226 E HA 0.709 5.059 4.350 -0.000 0.000 0.275 226 E C -0.222 176.372 176.600 -0.010 0.000 0.987 226 E CA -0.537 55.853 56.400 -0.018 0.000 0.828 226 E CB 2.226 31.912 29.700 -0.023 0.000 1.428 226 E HN 0.827 nan 8.360 nan 0.000 0.457 227 G N 0.831 109.627 108.800 -0.007 0.000 2.516 227 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.220 227 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.220 227 G C -0.920 173.980 174.900 -0.000 0.000 1.165 227 G CA -0.252 44.847 45.100 -0.002 0.000 1.013 227 G HN 1.078 nan 8.290 nan 0.000 0.590 228 S N -1.864 113.837 115.700 0.003 0.000 2.543 228 S HA 0.708 5.178 4.470 -0.000 0.000 0.271 228 S C -1.066 173.537 174.600 0.006 0.000 1.148 228 S CA 0.218 58.420 58.200 0.003 0.000 0.914 228 S CB 1.726 64.927 63.200 0.003 0.000 1.096 228 S HN 2.299 nan 8.310 nan 0.000 0.471 229 V N 2.864 122.781 119.914 0.005 0.000 2.483 229 V HA 0.729 4.849 4.120 -0.000 0.000 0.297 229 V C -2.716 173.382 176.094 0.006 0.000 1.027 229 V CA -2.315 59.989 62.300 0.007 0.000 0.855 229 V CB 1.956 33.783 31.823 0.007 0.000 0.995 229 V HN 0.882 nan 8.190 nan 0.000 0.424 230 P HA 0.074 nan 4.420 nan 0.000 0.270 230 P C 1.211 178.514 177.300 0.005 0.000 1.223 230 P CA 0.365 63.468 63.100 0.006 0.000 0.785 230 P CB 1.242 32.946 31.700 0.006 0.000 0.923 231 V N -1.095 118.822 119.914 0.004 0.000 2.867 231 V HA -0.159 3.960 4.120 -0.000 0.000 0.260 231 V C 1.444 177.541 176.094 0.004 0.000 1.099 231 V CA 2.166 64.468 62.300 0.004 0.000 1.122 231 V CB -1.500 30.325 31.823 0.003 0.000 0.708 231 V HN 0.609 nan 8.190 nan 0.000 0.490 232 D N 0.496 120.899 120.400 0.005 0.000 2.363 232 D HA 0.281 4.920 4.640 -0.000 0.000 0.214 232 D C 0.806 177.111 176.300 0.007 0.000 1.093 232 D CA 0.517 54.520 54.000 0.006 0.000 0.837 232 D CB 0.480 41.284 40.800 0.006 0.000 0.948 232 D HN 0.627 nan 8.370 nan 0.000 0.507 233 A N 0.488 123.313 122.820 0.008 0.000 2.280 233 A HA 0.393 4.713 4.320 -0.000 0.000 0.268 233 A C 0.490 178.080 177.584 0.011 0.000 1.111 233 A CA -0.512 51.531 52.037 0.010 0.000 0.814 233 A CB 0.417 19.424 19.000 0.011 0.000 1.093 233 A HN 0.163 nan 8.150 nan 0.000 0.498 234 N N -0.093 118.615 118.700 0.014 0.000 2.491 234 N HA 0.315 5.055 4.740 -0.000 0.000 0.279 234 N C -0.351 175.169 175.510 0.016 0.000 1.236 234 N CA -0.507 52.552 53.050 0.015 0.000 0.982 234 N CB 0.420 38.918 38.487 0.018 0.000 1.194 234 N HN 0.696 nan 8.380 nan 0.000 0.582 235 K N -0.826 119.583 120.400 0.016 0.000 2.219 235 K HA 0.327 4.646 4.320 -0.000 0.000 0.258 235 K C -0.641 175.974 176.600 0.024 0.000 1.008 235 K CA -0.121 56.174 56.287 0.014 0.000 0.928 235 K CB 0.175 32.680 32.500 0.009 0.000 0.983 235 K HN 0.239 nan 8.250 nan 0.000 0.484 236 T N 1.744 116.311 114.554 0.022 0.000 2.864 236 T HA 0.185 4.535 4.350 -0.000 0.000 0.310 236 T C -0.976 173.743 174.700 0.032 0.000 1.040 236 T CA -0.677 61.446 62.100 0.038 0.000 0.977 236 T CB 0.606 69.496 68.868 0.036 0.000 0.976 236 T HN 0.506 nan 8.240 nan 0.000 0.459 237 K N 3.417 123.851 120.400 0.057 0.000 2.347 237 K HA 0.338 4.658 4.320 -0.000 0.000 0.262 237 K C -0.563 176.122 176.600 0.141 0.000 1.052 237 K CA -0.336 55.968 56.287 0.028 0.000 0.946 237 K CB 0.649 33.174 32.500 0.043 0.000 1.220 237 K HN 0.572 nan 8.250 nan 0.000 0.450 238 E N 2.655 122.909 120.200 0.090 0.000 2.222 238 E HA 0.204 4.554 4.350 -0.000 0.000 0.267 238 E C -0.989 175.735 176.600 0.206 0.000 0.884 238 E CA -0.754 55.801 56.400 0.259 0.000 0.764 238 E CB 1.481 31.312 29.700 0.217 0.000 1.169 238 E HN 0.439 nan 8.360 nan 0.000 0.413 239 W N 5.038 126.373 121.300 0.057 0.000 2.481 239 W HA 0.189 4.849 4.660 -0.001 0.000 0.320 239 W C -0.647 175.953 176.519 0.136 0.000 1.209 239 W CA -0.414 56.966 57.345 0.059 0.000 1.400 239 W CB 0.433 29.861 29.460 -0.053 0.000 1.361 239 W HN 0.252 nan 8.180 nan 0.000 0.456 240 I N 3.349 124.047 120.570 0.213 0.000 2.392 240 I HA 0.100 4.269 4.170 -0.000 0.000 0.295 240 I C 0.982 177.181 176.117 0.136 0.000 0.985 240 I CA -0.679 60.735 61.300 0.191 0.000 1.221 240 I CB 1.056 39.143 38.000 0.146 0.000 1.366 240 I HN 0.226 nan 8.210 nan 0.000 0.467 241 S N 5.835 121.614 115.700 0.130 0.000 2.626 241 S HA 0.616 5.086 4.470 -0.000 0.000 0.257 241 S C -0.079 174.562 174.600 0.067 0.000 1.288 241 S CA -0.573 57.684 58.200 0.095 0.000 0.980 241 S CB 1.330 64.579 63.200 0.083 0.000 0.975 241 S HN 0.354 nan 8.310 nan 0.000 0.577 242 V N 0.621 120.567 119.914 0.055 0.000 2.769 242 V HA 0.399 4.518 4.120 -0.000 0.000 0.312 242 V C -0.656 175.581 176.094 0.238 0.000 1.061 242 V CA -0.901 61.441 62.300 0.070 0.000 0.931 242 V CB 1.863 33.612 31.823 -0.123 0.000 1.010 242 V HN 0.974 nan 8.190 nan 0.000 0.433 243 W N 4.006 125.361 121.300 0.092 0.000 2.332 243 W HA 0.432 5.091 4.660 -0.000 0.000 0.306 243 W C -0.122 176.516 176.519 0.197 0.000 1.149 243 W CA -0.206 57.214 57.345 0.124 0.000 1.271 243 W CB 0.562 30.076 29.460 0.090 0.000 1.243 243 W HN 0.904 nan 8.180 nan 0.000 0.459 244 E N 5.146 125.299 120.200 -0.077 0.000 4.734 244 E HA -0.187 4.162 4.350 -0.000 0.000 0.167 244 E C -2.082 174.637 176.600 0.198 0.000 1.498 244 E CA 0.001 56.419 56.400 0.030 0.000 1.080 244 E CB -0.696 29.102 29.700 0.163 0.000 1.040 244 E HN 0.344 nan 8.360 nan 0.000 0.357 245 P HA -0.108 nan 4.420 nan 0.000 0.233 245 P C 1.017 178.401 177.300 0.140 0.000 1.167 245 P CA 1.216 64.448 63.100 0.221 0.000 0.770 245 P CB 0.354 32.175 31.700 0.201 0.000 0.837 246 A N 0.458 123.312 122.820 0.058 0.000 2.016 246 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 246 A C 2.455 179.969 177.584 -0.117 0.000 1.162 246 A CA 1.516 53.545 52.037 -0.013 0.000 0.662 246 A CB -1.575 17.430 19.000 0.007 0.000 0.812 246 A HN 0.282 nan 8.150 nan 0.000 0.450 247 G N -1.584 107.105 108.800 -0.185 0.000 2.396 247 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 247 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 247 G C 1.501 175.836 174.900 -0.942 0.000 1.166 247 G CA 0.974 45.725 45.100 -0.581 0.000 0.793 247 G HN 0.590 nan 8.290 nan 0.000 0.533 248 Y N 1.803 121.565 120.300 -0.896 0.000 2.053 248 Y HA -0.208 4.342 4.550 -0.000 0.000 0.277 248 Y C 3.010 178.739 175.900 -0.286 0.000 1.159 248 Y CA 1.953 59.783 58.100 -0.451 0.000 1.125 248 Y CB -0.166 38.273 38.460 -0.034 0.000 0.969 248 Y HN 0.264 nan 8.280 nan 0.000 0.492 249 A N 0.283 122.879 122.820 -0.374 0.000 1.902 249 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 249 A C 2.117 179.340 177.584 -0.601 0.000 1.181 249 A CA 1.718 53.451 52.037 -0.507 0.000 0.623 249 A CB -1.228 17.643 19.000 -0.216 0.000 0.818 249 A HN 0.596 nan 8.150 nan 0.000 0.443 250 L N 0.481 121.467 121.223 -0.395 0.000 2.042 250 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 250 L C 1.967 178.687 176.870 -0.251 0.000 1.076 250 L CA 2.803 57.471 54.840 -0.287 0.000 0.749 250 L CB -0.739 41.209 42.059 -0.185 0.000 0.893 250 L HN 0.536 nan 8.230 nan 0.000 0.432 251 D N -1.444 118.788 120.400 -0.281 0.000 2.178 251 D HA -0.192 4.447 4.640 -0.000 0.000 0.201 251 D C 2.052 178.258 176.300 -0.158 0.000 0.980 251 D CA 0.862 54.764 54.000 -0.162 0.000 0.842 251 D CB 0.048 40.797 40.800 -0.086 0.000 0.948 251 D HN 0.216 nan 8.370 nan 0.000 0.472 252 L N -0.145 120.913 121.223 -0.276 0.000 2.046 252 L HA -0.038 4.301 4.340 -0.000 0.000 0.208 252 L C 2.058 178.813 176.870 -0.192 0.000 1.077 252 L CA 1.235 55.937 54.840 -0.230 0.000 0.747 252 L CB -1.335 40.530 42.059 -0.323 0.000 0.896 252 L HN 0.161 nan 8.230 nan 0.000 0.432 253 F N 0.654 120.250 119.950 -0.591 0.000 2.186 253 F HA -0.197 4.330 4.527 -0.001 0.000 0.299 253 F C 2.526 178.207 175.800 -0.198 0.000 1.090 253 F CA 1.597 59.349 58.000 -0.413 0.000 1.307 253 F CB -0.274 38.413 39.000 -0.522 0.000 1.019 253 F HN 0.061 nan 8.300 nan 0.000 0.489 254 K N 0.032 120.326 120.400 -0.176 0.000 2.032 254 K HA -0.250 4.069 4.320 -0.000 0.000 0.209 254 K C 2.136 178.629 176.600 -0.178 0.000 1.048 254 K CA 1.980 58.149 56.287 -0.198 0.000 0.927 254 K CB -0.225 32.213 32.500 -0.104 0.000 0.712 254 K HN 0.370 nan 8.250 nan 0.000 0.441 255 Q N -0.103 119.629 119.800 -0.115 0.000 2.050 255 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 255 Q C 2.256 178.209 176.000 -0.078 0.000 0.980 255 Q CA 2.020 57.781 55.803 -0.071 0.000 0.840 255 Q CB -0.021 28.701 28.738 -0.027 0.000 0.898 255 Q HN 0.267 nan 8.270 nan 0.000 0.424 256 S N 0.917 116.574 115.700 -0.072 0.000 2.365 256 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 256 S C 1.942 176.467 174.600 -0.125 0.000 1.039 256 S CA 1.227 59.402 58.200 -0.042 0.000 1.033 256 S CB -0.352 62.894 63.200 0.077 0.000 0.887 256 S HN 0.258 nan 8.310 nan 0.000 0.447 257 L N 1.229 122.287 121.223 -0.276 0.000 2.005 257 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 257 L C 2.563 179.339 176.870 -0.155 0.000 1.072 257 L CA 1.385 56.064 54.840 -0.268 0.000 0.744 257 L CB -0.551 41.256 42.059 -0.420 0.000 0.895 257 L HN 0.260 nan 8.230 nan 0.000 0.433 258 K N 0.875 121.190 120.400 -0.142 0.000 2.089 258 K HA -0.249 4.070 4.320 -0.000 0.000 0.210 258 K C 2.097 178.662 176.600 -0.059 0.000 1.048 258 K CA 1.750 57.984 56.287 -0.088 0.000 0.926 258 K CB 0.005 32.461 32.500 -0.073 0.000 0.714 258 K HN 0.232 nan 8.250 nan 0.000 0.448 259 K N -0.127 120.242 120.400 -0.051 0.000 2.148 259 K HA -0.097 4.222 4.320 -0.000 0.000 0.204 259 K C 1.967 178.552 176.600 -0.024 0.000 1.050 259 K CA 0.895 57.165 56.287 -0.028 0.000 0.942 259 K CB 0.093 32.583 32.500 -0.016 0.000 0.724 259 K HN 0.190 nan 8.250 nan 0.000 0.446 260 Q N -0.343 119.437 119.800 -0.034 0.000 2.403 260 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 260 Q C 0.676 176.661 176.000 -0.026 0.000 0.932 260 Q CA 0.601 56.392 55.803 -0.020 0.000 0.945 260 Q CB 0.929 29.656 28.738 -0.019 0.000 1.045 260 Q HN 0.545 nan 8.270 nan 0.000 0.511 261 G N 1.603 110.380 108.800 -0.038 0.000 2.160 261 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 261 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 261 G C 0.116 174.988 174.900 -0.046 0.000 1.022 261 G CA 0.002 45.080 45.100 -0.037 0.000 0.741 261 G HN 0.358 nan 8.290 nan 0.000 0.508 262 I N 2.615 123.145 120.570 -0.066 0.000 2.310 262 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 262 I C 1.282 177.347 176.117 -0.087 0.000 1.073 262 I CA -0.143 61.112 61.300 -0.076 0.000 1.216 262 I CB 0.650 38.590 38.000 -0.100 0.000 1.415 262 I HN 0.296 nan 8.210 nan 0.000 0.480 263 T N 2.965 117.480 114.554 -0.065 0.000 2.813 263 T HA 0.408 4.758 4.350 -0.000 0.000 0.297 263 T C -0.076 174.582 174.700 -0.070 0.000 1.036 263 T CA -0.487 61.575 62.100 -0.063 0.000 1.044 263 T CB 1.685 70.526 68.868 -0.045 0.000 0.993 263 T HN 0.206 nan 8.240 nan 0.000 0.535 264 V N 3.527 123.400 119.914 -0.068 0.000 2.357 264 V HA 0.291 4.411 4.120 -0.000 0.000 0.281 264 V C 1.211 177.276 176.094 -0.049 0.000 1.015 264 V CA -0.846 61.413 62.300 -0.067 0.000 0.827 264 V CB 0.991 32.765 31.823 -0.082 0.000 1.018 264 V HN 0.957 nan 8.190 nan 0.000 0.432 265 K N 2.700 123.075 120.400 -0.042 0.000 2.032 265 K HA -0.091 4.228 4.320 -0.000 0.000 0.209 265 K C 1.655 178.238 176.600 -0.028 0.000 1.048 265 K CA 1.634 57.902 56.287 -0.031 0.000 0.927 265 K CB -0.024 32.460 32.500 -0.027 0.000 0.712 265 K HN 0.798 nan 8.250 nan 0.000 0.441 266 G N 1.034 109.813 108.800 -0.034 0.000 2.711 266 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.186 266 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.186 266 G C -0.067 174.819 174.900 -0.024 0.000 1.635 266 G CA -0.167 44.916 45.100 -0.029 0.000 1.065 266 G HN 0.101 nan 8.290 nan 0.000 0.545 267 D N -0.746 119.640 120.400 -0.022 0.000 2.414 267 D HA 0.450 5.090 4.640 -0.000 0.000 0.241 267 D C -0.304 175.988 176.300 -0.014 0.000 1.008 267 D CA -0.210 53.784 54.000 -0.010 0.000 1.001 267 D CB 2.270 43.072 40.800 0.004 0.000 1.277 267 D HN 0.424 nan 8.370 nan 0.000 0.538 268 I N -1.556 119.016 120.570 0.003 0.000 2.362 268 I HA 0.577 4.746 4.170 -0.000 0.000 0.289 268 I C -0.725 175.410 176.117 0.029 0.000 0.994 268 I CA -0.524 60.779 61.300 0.006 0.000 1.158 268 I CB 1.090 39.093 38.000 0.005 0.000 1.315 268 I HN 0.298 nan 8.210 nan 0.000 0.451 269 K N 2.798 123.215 120.400 0.029 0.000 2.615 269 K HA 0.395 4.714 4.320 -0.000 0.000 0.291 269 K C -0.960 175.672 176.600 0.053 0.000 1.017 269 K CA -0.818 55.500 56.287 0.051 0.000 0.882 269 K CB 1.411 33.942 32.500 0.053 0.000 1.522 269 K HN 0.542 nan 8.250 nan 0.000 0.412 270 T N -0.746 113.847 114.554 0.066 0.000 2.907 270 T HA 0.600 4.950 4.350 -0.000 0.000 0.298 270 T C 0.313 175.062 174.700 0.082 0.000 1.017 270 T CA 0.794 62.934 62.100 0.067 0.000 1.118 270 T CB 0.510 69.420 68.868 0.069 0.000 0.948 270 T HN 0.812 nan 8.240 nan 0.000 0.531 271 G N 2.389 111.247 108.800 0.096 0.000 2.726 271 G HA2 0.518 4.478 3.960 -0.000 0.000 0.198 271 G HA3 0.518 4.478 3.960 -0.000 0.000 0.198 271 G C -1.300 173.655 174.900 0.092 0.000 1.195 271 G CA -0.405 44.763 45.100 0.114 0.000 0.951 271 G HN 0.884 nan 8.290 nan 0.000 0.532 272 E N -0.496 119.754 120.200 0.083 0.000 2.454 272 E HA 0.509 4.859 4.350 -0.000 0.000 0.315 272 E C -0.373 176.090 176.600 -0.229 0.000 0.907 272 E CA -0.625 55.760 56.400 -0.025 0.000 0.797 272 E CB 1.080 30.773 29.700 -0.012 0.000 1.396 272 E HN 0.961 nan 8.360 nan 0.000 0.389 273 A N 5.345 127.879 122.820 -0.477 0.000 2.566 273 A HA 0.278 4.598 4.320 -0.000 0.000 0.245 273 A C -2.211 175.052 177.584 -0.535 0.000 1.056 273 A CA -0.580 50.803 52.037 -1.090 0.000 0.757 273 A CB -0.322 18.220 19.000 -0.763 0.000 0.979 273 A HN 0.448 nan 8.150 nan 0.000 0.508 274 P HA 0.006 nan 4.420 nan 0.000 0.267 274 P C 1.170 178.390 177.300 -0.133 0.000 1.200 274 P CA 0.604 63.588 63.100 -0.193 0.000 0.772 274 P CB 0.672 32.307 31.700 -0.108 0.000 0.855 275 S N 0.979 116.635 115.700 -0.073 0.000 2.380 275 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 275 S C 1.000 175.580 174.600 -0.034 0.000 1.043 275 S CA 1.544 59.719 58.200 -0.041 0.000 1.038 275 S CB -1.199 61.988 63.200 -0.021 0.000 0.872 275 S HN 0.544 nan 8.310 nan 0.000 0.456 276 S N 1.894 117.577 115.700 -0.029 0.000 3.681 276 S HA 0.595 5.065 4.470 -0.000 0.000 0.203 276 S C -0.169 174.426 174.600 -0.008 0.000 1.408 276 S CA -0.508 57.684 58.200 -0.012 0.000 0.942 276 S CB -0.181 63.018 63.200 -0.001 0.000 1.437 276 S HN 0.581 nan 8.310 nan 0.000 0.482 277 S N 0.411 116.101 115.700 -0.017 0.000 2.541 277 S HA 0.559 5.028 4.470 -0.000 0.000 0.280 277 S C -1.371 173.240 174.600 0.018 0.000 1.112 277 S CA -0.978 57.227 58.200 0.008 0.000 0.925 277 S CB 1.094 64.270 63.200 -0.041 0.000 1.067 277 S HN 0.322 nan 8.310 nan 0.000 0.479 278 D N 1.542 121.969 120.400 0.044 0.000 2.350 278 D HA 0.306 4.946 4.640 -0.000 0.000 0.249 278 D C -0.217 176.106 176.300 0.039 0.000 1.119 278 D CA -0.273 53.748 54.000 0.035 0.000 0.886 278 D CB 1.208 42.031 40.800 0.038 0.000 1.195 278 D HN 0.393 nan 8.370 nan 0.000 0.437 279 V N 4.238 124.164 119.914 0.020 0.000 2.338 279 V HA -0.028 4.091 4.120 -0.000 0.000 0.255 279 V C 1.367 177.474 176.094 0.021 0.000 1.082 279 V CA -0.305 62.003 62.300 0.013 0.000 0.951 279 V CB 0.661 32.479 31.823 -0.009 0.000 1.102 279 V HN 0.423 nan 8.190 nan 0.000 0.489 280 L N 5.486 126.732 121.223 0.038 0.000 2.027 280 L HA 0.059 4.399 4.340 -0.000 0.000 0.206 280 L C 0.503 177.392 176.870 0.031 0.000 1.074 280 L CA 1.726 56.590 54.840 0.041 0.000 0.745 280 L CB -0.428 41.668 42.059 0.062 0.000 0.898 280 L HN 0.734 nan 8.230 nan 0.000 0.433 281 L N -5.364 115.874 121.223 0.026 0.000 2.518 281 L HA 0.706 5.045 4.340 -0.000 0.000 0.257 281 L C -0.579 176.291 176.870 -0.000 0.000 0.980 281 L CA -0.647 54.203 54.840 0.016 0.000 0.837 281 L CB 1.842 43.918 42.059 0.029 0.000 1.410 281 L HN -0.308 nan 8.230 nan 0.000 0.410 282 S N -0.153 115.544 115.700 -0.004 0.000 2.526 282 S HA 0.742 5.211 4.470 -0.000 0.000 0.293 282 S C -1.615 172.999 174.600 0.023 0.000 1.092 282 S CA -0.303 57.885 58.200 -0.021 0.000 0.980 282 S CB 0.611 63.778 63.200 -0.055 0.000 1.048 282 S HN 1.050 nan 8.310 nan 0.000 0.483 283 H N 2.797 121.797 119.070 -0.117 0.000 2.658 283 H HA 0.573 5.129 4.556 -0.000 0.000 0.337 283 H C -0.562 174.684 175.328 -0.136 0.000 1.009 283 H CA -0.465 55.511 56.048 -0.120 0.000 1.231 283 H CB 0.760 30.445 29.762 -0.130 0.000 1.508 283 H HN 0.561 nan 8.280 nan 0.000 0.517 284 R N 2.471 122.613 120.500 -0.596 0.000 2.540 284 R HA 0.443 4.783 4.340 -0.000 0.000 0.287 284 R C -0.098 175.822 176.300 -0.632 0.000 0.980 284 R CA -0.697 55.099 56.100 -0.507 0.000 0.966 284 R CB 1.455 31.567 30.300 -0.314 0.000 1.106 284 R HN 0.809 nan 8.270 nan 0.000 0.480 285 S N 2.393 117.870 115.700 -0.372 0.000 2.707 285 S HA 0.377 4.846 4.470 -0.000 0.000 0.276 285 S C 0.579 175.081 174.600 -0.163 0.000 1.179 285 S CA -1.024 57.024 58.200 -0.253 0.000 0.992 285 S CB 0.698 63.844 63.200 -0.090 0.000 1.030 285 S HN 0.602 nan 8.310 nan 0.000 0.554 286 M N 0.145 119.676 119.600 -0.115 0.000 2.240 286 M HA 0.345 4.825 4.480 -0.000 0.000 0.317 286 M C -2.365 173.908 176.300 -0.045 0.000 1.087 286 M CA -1.392 53.868 55.300 -0.066 0.000 1.176 286 M CB -0.755 31.826 32.600 -0.033 0.000 1.439 286 M HN 0.362 nan 8.290 nan 0.000 0.452 287 P HA 0.053 nan 4.420 nan 0.000 0.270 287 P C 0.515 177.802 177.300 -0.021 0.000 1.223 287 P CA -0.217 62.854 63.100 -0.049 0.000 0.785 287 P CB 0.777 32.445 31.700 -0.053 0.000 0.923 288 L N 1.238 122.433 121.223 -0.046 0.000 2.042 288 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 288 L C 2.755 179.522 176.870 -0.172 0.000 1.076 288 L CA 2.510 57.301 54.840 -0.082 0.000 0.749 288 L CB -1.170 40.746 42.059 -0.238 0.000 0.893 288 L HN 0.499 nan 8.230 nan 0.000 0.432 289 S N -0.456 115.124 115.700 -0.200 0.000 2.420 289 S HA -0.245 4.224 4.470 -0.000 0.000 0.237 289 S C 1.827 176.429 174.600 0.005 0.000 1.023 289 S CA 1.295 59.409 58.200 -0.144 0.000 0.991 289 S CB -0.210 62.944 63.200 -0.077 0.000 0.792 289 S HN 0.464 nan 8.310 nan 0.000 0.488 290 K N 0.443 120.865 120.400 0.037 0.000 2.063 290 K HA 0.272 4.592 4.320 -0.000 0.000 0.204 290 K C 2.103 178.805 176.600 0.169 0.000 1.039 290 K CA 0.574 56.914 56.287 0.089 0.000 0.957 290 K CB -0.518 32.017 32.500 0.059 0.000 0.764 290 K HN 0.205 nan 8.250 nan 0.000 0.447 291 L N 1.402 122.723 121.223 0.163 0.000 2.357 291 L HA -0.158 4.182 4.340 -0.000 0.000 0.220 291 L C 1.511 178.648 176.870 0.444 0.000 1.123 291 L CA 1.662 56.635 54.840 0.221 0.000 0.782 291 L CB -0.576 41.568 42.059 0.142 0.000 0.910 291 L HN 0.232 nan 8.230 nan 0.000 0.442 292 F N -1.343 118.716 119.950 0.180 0.000 2.367 292 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 292 F C 2.264 178.150 175.800 0.144 0.000 1.094 292 F CA 0.320 58.461 58.000 0.234 0.000 1.409 292 F CB 0.248 39.308 39.000 0.100 0.000 1.064 292 F HN -0.088 nan 8.300 nan 0.000 0.528 293 V N 0.920 121.005 119.914 0.284 0.000 2.261 293 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 293 V C -0.601 175.570 176.094 0.130 0.000 1.047 293 V CA 1.877 64.265 62.300 0.147 0.000 1.015 293 V CB -1.840 30.054 31.823 0.119 0.000 0.642 293 V HN 0.163 nan 8.190 nan 0.000 0.446 294 P HA -0.188 nan 4.420 nan 0.000 0.215 294 P C 1.741 179.153 177.300 0.187 0.000 1.153 294 P CA 1.622 64.844 63.100 0.202 0.000 0.853 294 P CB -0.131 31.800 31.700 0.384 0.000 0.788 295 F N -0.391 119.636 119.950 0.128 0.000 2.010 295 F HA -0.244 4.283 4.527 -0.001 0.000 0.296 295 F C 1.979 177.699 175.800 -0.133 0.000 1.146 295 F CA 1.414 59.433 58.000 0.031 0.000 1.181 295 F CB -0.289 38.765 39.000 0.091 0.000 0.965 295 F HN -0.240 nan 8.300 nan 0.000 0.480 296 M N 0.096 119.380 119.600 -0.527 0.000 2.349 296 M HA -0.082 4.398 4.480 -0.000 0.000 0.266 296 M C 1.841 177.939 176.300 -0.337 0.000 1.076 296 M CA 1.315 56.210 55.300 -0.675 0.000 1.126 296 M CB -0.888 31.300 32.600 -0.687 0.000 1.392 296 M HN 0.091 nan 8.290 nan 0.000 0.440 297 K N 0.413 120.704 120.400 -0.182 0.000 2.076 297 K HA 0.117 4.437 4.320 -0.000 0.000 0.204 297 K C 1.834 178.364 176.600 -0.116 0.000 1.051 297 K CA 0.894 57.110 56.287 -0.119 0.000 0.949 297 K CB -0.039 32.424 32.500 -0.061 0.000 0.726 297 K HN 0.241 nan 8.250 nan 0.000 0.443 298 L N -0.820 120.338 121.223 -0.107 0.000 2.554 298 L HA 0.169 4.509 4.340 -0.000 0.000 0.225 298 L C 0.358 177.167 176.870 -0.101 0.000 1.104 298 L CA -0.041 54.737 54.840 -0.104 0.000 0.866 298 L CB 0.261 42.254 42.059 -0.111 0.000 1.047 298 L HN 0.114 nan 8.230 nan 0.000 0.468 299 S N 1.537 117.153 115.700 -0.140 0.000 3.968 299 S HA -0.172 4.298 4.470 -0.000 0.000 0.373 299 S C 0.212 174.797 174.600 -0.024 0.000 0.974 299 S CA -0.029 58.088 58.200 -0.138 0.000 1.124 299 S CB -1.565 61.561 63.200 -0.124 0.000 0.862 299 S HN 0.587 nan 8.310 nan 0.000 0.492 300 N N 1.874 120.599 118.700 0.040 0.000 2.400 300 N HA 0.129 4.869 4.740 -0.000 0.000 0.267 300 N C 1.163 176.753 175.510 0.133 0.000 1.208 300 N CA 0.052 53.099 53.050 -0.004 0.000 0.951 300 N CB 0.237 38.447 38.487 -0.462 0.000 1.227 300 N HN 0.487 nan 8.380 nan 0.000 0.488 301 N N 3.353 122.119 118.700 0.110 0.000 2.036 301 N HA -0.152 4.588 4.740 -0.000 0.000 0.195 301 N C 1.734 177.327 175.510 0.139 0.000 1.037 301 N CA 1.625 54.754 53.050 0.132 0.000 0.855 301 N CB -0.731 37.818 38.487 0.103 0.000 1.033 301 N HN 0.678 nan 8.380 nan 0.000 0.423 302 G N 0.963 109.836 108.800 0.122 0.000 2.513 302 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 302 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 302 G C 1.268 176.247 174.900 0.131 0.000 1.160 302 G CA 1.312 46.500 45.100 0.146 0.000 0.767 302 G HN 0.381 nan 8.290 nan 0.000 0.571 303 H N 1.035 120.031 119.070 -0.122 0.000 2.290 303 H HA 0.032 4.587 4.556 -0.000 0.000 0.298 303 H C 2.901 177.893 175.328 -0.561 0.000 1.087 303 H CA 1.170 56.968 56.048 -0.416 0.000 1.291 303 H CB -0.936 28.432 29.762 -0.658 0.000 1.369 303 H HN 0.375 nan 8.280 nan 0.000 0.492 304 A N 1.495 124.130 122.820 -0.309 0.000 1.869 304 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 304 A C 2.321 179.888 177.584 -0.030 0.000 1.203 304 A CA 2.161 54.133 52.037 -0.109 0.000 0.638 304 A CB -0.396 18.744 19.000 0.233 0.000 0.831 304 A HN 0.366 nan 8.150 nan 0.000 0.450 305 E N -0.184 120.062 120.200 0.076 0.000 2.085 305 E HA -0.141 4.208 4.350 -0.000 0.000 0.194 305 E C 2.195 178.689 176.600 -0.177 0.000 0.994 305 E CA 1.352 57.814 56.400 0.104 0.000 0.801 305 E CB -1.025 28.896 29.700 0.369 0.000 0.743 305 E HN 0.406 nan 8.360 nan 0.000 0.453 306 V N 1.517 121.343 119.914 -0.147 0.000 2.332 306 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 306 V C 2.513 178.530 176.094 -0.129 0.000 1.055 306 V CA 1.429 63.624 62.300 -0.175 0.000 1.038 306 V CB -0.530 31.175 31.823 -0.196 0.000 0.651 306 V HN 0.205 nan 8.190 nan 0.000 0.450 307 L N -0.721 120.439 121.223 -0.106 0.000 2.141 307 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 307 L C 2.431 179.243 176.870 -0.097 0.000 1.094 307 L CA 0.823 55.641 54.840 -0.037 0.000 0.763 307 L CB -0.505 41.525 42.059 -0.048 0.000 0.908 307 L HN 0.211 nan 8.230 nan 0.000 0.437 308 V N 0.102 119.934 119.914 -0.137 0.000 2.261 308 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 308 V C 2.432 178.360 176.094 -0.277 0.000 1.047 308 V CA 1.785 63.995 62.300 -0.149 0.000 1.015 308 V CB -0.456 31.308 31.823 -0.097 0.000 0.642 308 V HN 0.415 nan 8.190 nan 0.000 0.446 309 K N -0.346 119.762 120.400 -0.486 0.000 2.147 309 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 309 K C 2.146 178.447 176.600 -0.498 0.000 1.049 309 K CA 1.612 57.517 56.287 -0.637 0.000 0.936 309 K CB -0.114 31.770 32.500 -1.025 0.000 0.722 309 K HN 0.413 nan 8.250 nan 0.000 0.446 310 E N 1.077 121.119 120.200 -0.264 0.000 2.072 310 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 310 E C 1.861 178.394 176.600 -0.112 0.000 0.982 310 E CA 1.225 57.618 56.400 -0.012 0.000 0.803 310 E CB 0.021 29.803 29.700 0.137 0.000 0.755 310 E HN 0.163 nan 8.360 nan 0.000 0.453 311 M N -0.541 118.968 119.600 -0.152 0.000 2.065 311 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 311 M C 2.330 178.555 176.300 -0.124 0.000 1.071 311 M CA 1.967 57.182 55.300 -0.141 0.000 1.109 311 M CB -0.743 31.795 32.600 -0.104 0.000 1.313 311 M HN 0.314 nan 8.290 nan 0.000 0.408 312 G N 0.051 108.768 108.800 -0.140 0.000 2.450 312 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.220 312 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.220 312 G C 1.535 176.343 174.900 -0.154 0.000 1.130 312 G CA 1.394 46.414 45.100 -0.133 0.000 0.760 312 G HN 0.289 nan 8.290 nan 0.000 0.557 313 K N 0.307 120.592 120.400 -0.192 0.000 2.076 313 K HA 0.091 4.411 4.320 -0.000 0.000 0.204 313 K C 2.430 178.901 176.600 -0.214 0.000 1.051 313 K CA 1.100 57.232 56.287 -0.258 0.000 0.949 313 K CB -0.545 31.738 32.500 -0.362 0.000 0.726 313 K HN 0.148 nan 8.250 nan 0.000 0.443 314 V N 1.166 121.012 119.914 -0.114 0.000 2.453 314 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 314 V C 2.145 178.208 176.094 -0.051 0.000 1.048 314 V CA 1.531 63.806 62.300 -0.041 0.000 1.049 314 V CB -0.333 31.491 31.823 0.001 0.000 0.672 314 V HN 0.215 nan 8.190 nan 0.000 0.457 315 K N 0.125 120.484 120.400 -0.068 0.000 2.202 315 K HA 0.122 4.442 4.320 -0.000 0.000 0.201 315 K C 1.715 178.281 176.600 -0.057 0.000 1.051 315 K CA 0.749 57.004 56.287 -0.053 0.000 0.977 315 K CB 0.093 32.564 32.500 -0.049 0.000 0.792 315 K HN 0.373 nan 8.250 nan 0.000 0.469 316 K N -0.404 119.951 120.400 -0.074 0.000 2.387 316 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 316 K C 0.465 177.012 176.600 -0.088 0.000 1.030 316 K CA 0.413 56.659 56.287 -0.069 0.000 1.099 316 K CB 1.054 33.517 32.500 -0.061 0.000 0.863 316 K HN 0.235 nan 8.250 nan 0.000 0.529 317 G N 2.501 111.229 108.800 -0.119 0.000 2.155 317 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 317 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 317 G C -0.175 174.620 174.900 -0.175 0.000 0.983 317 G CA 0.699 45.709 45.100 -0.151 0.000 0.676 317 G HN 0.429 nan 8.290 nan 0.000 0.528 318 E N -0.460 119.638 120.200 -0.170 0.000 2.274 318 E HA 0.527 4.877 4.350 -0.000 0.000 0.269 318 E C 0.490 176.979 176.600 -0.185 0.000 0.891 318 E CA -0.373 55.932 56.400 -0.159 0.000 0.784 318 E CB 0.848 30.488 29.700 -0.099 0.000 1.225 318 E HN 0.451 nan 8.360 nan 0.000 0.412 319 G N 3.010 111.692 108.800 -0.197 0.000 3.213 319 G HA2 0.235 4.194 3.960 -0.000 0.000 0.263 319 G HA3 0.235 4.194 3.960 -0.000 0.000 0.263 319 G C -0.222 174.519 174.900 -0.265 0.000 0.829 319 G CA 0.102 45.051 45.100 -0.251 0.000 1.983 319 G HN 0.334 nan 8.290 nan 0.000 0.616 320 S N -0.491 115.076 115.700 -0.221 0.000 2.599 320 S HA 0.449 4.919 4.470 -0.000 0.000 0.294 320 S C 0.627 175.143 174.600 -0.140 0.000 1.094 320 S CA -0.993 57.116 58.200 -0.152 0.000 0.931 320 S CB 1.619 64.804 63.200 -0.024 0.000 1.093 320 S HN 0.333 nan 8.310 nan 0.000 0.488 321 W N 1.844 123.110 121.300 -0.056 0.000 2.355 321 W HA -0.092 4.568 4.660 -0.000 0.000 0.309 321 W C 2.198 178.698 176.519 -0.032 0.000 1.206 321 W CA 1.943 59.263 57.345 -0.042 0.000 1.284 321 W CB -0.570 28.876 29.460 -0.024 0.000 1.145 321 W HN 0.922 nan 8.180 nan 0.000 0.502 322 E N 0.476 120.800 120.200 0.207 0.000 2.070 322 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 322 E C 1.704 178.338 176.600 0.057 0.000 1.004 322 E CA 1.276 57.743 56.400 0.111 0.000 0.805 322 E CB -0.868 28.881 29.700 0.082 0.000 0.744 322 E HN 0.191 nan 8.360 nan 0.000 0.451 323 K N 0.402 120.813 120.400 0.018 0.000 2.098 323 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 323 K C 2.325 178.906 176.600 -0.032 0.000 1.051 323 K CA 1.104 57.380 56.287 -0.018 0.000 0.957 323 K CB -0.631 31.838 32.500 -0.051 0.000 0.738 323 K HN 0.333 nan 8.250 nan 0.000 0.447 324 G N 1.103 109.868 108.800 -0.059 0.000 2.443 324 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.219 324 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.219 324 G C 1.404 176.300 174.900 -0.007 0.000 1.131 324 G CA 0.181 45.236 45.100 -0.075 0.000 0.775 324 G HN 0.090 nan 8.290 nan 0.000 0.547 325 L N 0.557 121.807 121.223 0.046 0.000 2.240 325 L HA 0.154 4.494 4.340 -0.000 0.000 0.211 325 L C 2.572 179.474 176.870 0.054 0.000 1.106 325 L CA 1.091 55.980 54.840 0.082 0.000 0.793 325 L CB -0.464 41.672 42.059 0.127 0.000 0.927 325 L HN 0.332 nan 8.230 nan 0.000 0.446 326 E N -1.169 119.052 120.200 0.033 0.000 2.046 326 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 326 E C 2.113 178.723 176.600 0.016 0.000 0.982 326 E CA 1.412 57.825 56.400 0.023 0.000 0.800 326 E CB -0.275 29.432 29.700 0.011 0.000 0.756 326 E HN 0.355 nan 8.360 nan 0.000 0.449 327 V N 1.094 121.010 119.914 0.003 0.000 2.913 327 V HA -0.139 3.981 4.120 -0.000 0.000 0.260 327 V C 1.972 178.077 176.094 0.019 0.000 1.098 327 V CA 0.987 63.286 62.300 -0.001 0.000 1.121 327 V CB -0.187 31.622 31.823 -0.024 0.000 0.714 327 V HN 0.132 nan 8.190 nan 0.000 0.487 328 L N 2.050 123.294 121.223 0.035 0.000 1.993 328 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 328 L C 2.196 179.112 176.870 0.077 0.000 1.074 328 L CA 2.601 57.480 54.840 0.066 0.000 0.746 328 L CB -1.274 40.832 42.059 0.077 0.000 0.896 328 L HN 0.415 nan 8.230 nan 0.000 0.435 329 N N -0.974 117.765 118.700 0.064 0.000 2.272 329 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 329 N C 1.702 177.238 175.510 0.045 0.000 1.014 329 N CA 1.252 54.339 53.050 0.062 0.000 0.870 329 N CB -0.166 38.350 38.487 0.049 0.000 0.975 329 N HN 0.295 nan 8.380 nan 0.000 0.433 330 S N -0.733 114.984 115.700 0.029 0.000 2.419 330 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 330 S C 2.053 176.645 174.600 -0.013 0.000 1.016 330 S CA 1.539 59.742 58.200 0.006 0.000 0.974 330 S CB -0.346 62.854 63.200 -0.001 0.000 0.786 330 S HN 0.662 nan 8.310 nan 0.000 0.492 331 T N -0.516 114.038 114.554 0.000 0.000 3.037 331 T HA 0.278 4.628 4.350 -0.000 0.000 0.251 331 T C 1.609 176.244 174.700 -0.108 0.000 1.079 331 T CA -0.042 62.016 62.100 -0.070 0.000 1.067 331 T CB -0.361 68.500 68.868 -0.011 0.000 0.948 331 T HN 0.241 nan 8.240 nan 0.000 0.496 332 L N 0.866 122.130 121.223 0.068 0.000 2.187 332 L HA 0.034 4.373 4.340 -0.000 0.000 0.213 332 L C -0.625 176.297 176.870 0.087 0.000 1.100 332 L CA 1.160 56.108 54.840 0.180 0.000 0.765 332 L CB -1.545 40.618 42.059 0.172 0.000 0.904 332 L HN 0.256 nan 8.230 nan 0.000 0.437 333 P HA -0.134 nan 4.420 nan 0.000 0.221 333 P C 1.049 178.311 177.300 -0.063 0.000 1.150 333 P CA 1.073 64.167 63.100 -0.010 0.000 0.800 333 P CB 0.070 31.759 31.700 -0.018 0.000 0.787 334 E N -2.042 118.033 120.200 -0.209 0.000 2.511 334 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 334 E C 0.327 176.726 176.600 -0.334 0.000 1.066 334 E CA 0.521 56.731 56.400 -0.316 0.000 0.871 334 E CB -0.222 29.198 29.700 -0.467 0.000 0.863 334 E HN 0.340 nan 8.360 nan 0.000 0.520 335 F N -0.826 119.156 119.950 0.053 0.000 2.706 335 F HA 0.320 4.847 4.527 -0.000 0.000 0.313 335 F C 1.398 177.230 175.800 0.054 0.000 1.096 335 F CA 0.054 58.083 58.000 0.047 0.000 1.219 335 F CB 1.088 40.133 39.000 0.075 0.000 1.051 335 F HN -0.017 nan 8.300 nan 0.000 0.568 336 G N 0.930 109.836 108.800 0.177 0.000 2.132 336 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.234 336 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.234 336 G C -0.123 174.856 174.900 0.130 0.000 0.989 336 G CA 0.083 45.264 45.100 0.134 0.000 0.676 336 G HN 0.145 nan 8.290 nan 0.000 0.522 337 V N 0.075 120.080 119.914 0.152 0.000 2.644 337 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 337 V C 0.353 176.500 176.094 0.088 0.000 1.053 337 V CA -0.151 62.226 62.300 0.128 0.000 0.987 337 V CB 1.860 33.783 31.823 0.166 0.000 1.006 337 V HN 0.306 nan 8.190 nan 0.000 0.472 338 D N 1.773 122.214 120.400 0.069 0.000 2.500 338 D HA 0.198 4.838 4.640 -0.000 0.000 0.219 338 D C 1.399 177.730 176.300 0.051 0.000 1.137 338 D CA 0.325 54.355 54.000 0.050 0.000 0.946 338 D CB 0.786 41.610 40.800 0.039 0.000 1.022 338 D HN 0.641 nan 8.370 nan 0.000 0.518 339 S N 3.214 118.947 115.700 0.054 0.000 2.440 339 S HA -0.208 4.262 4.470 -0.000 0.000 0.238 339 S C 1.812 176.436 174.600 0.041 0.000 1.010 339 S CA 0.651 58.883 58.200 0.053 0.000 0.972 339 S CB -0.081 63.150 63.200 0.052 0.000 0.774 339 S HN 0.252 nan 8.310 nan 0.000 0.501 340 K N 1.540 121.960 120.400 0.034 0.000 2.148 340 K HA 0.177 4.497 4.320 -0.000 0.000 0.204 340 K C 1.877 178.492 176.600 0.026 0.000 1.050 340 K CA 1.019 57.322 56.287 0.027 0.000 0.942 340 K CB -0.841 31.672 32.500 0.022 0.000 0.724 340 K HN 0.445 nan 8.250 nan 0.000 0.446 341 S N 0.957 116.674 115.700 0.028 0.000 2.701 341 S HA 0.078 4.548 4.470 -0.000 0.000 0.220 341 S C 0.285 174.902 174.600 0.028 0.000 0.954 341 S CA -0.161 58.055 58.200 0.026 0.000 0.936 341 S CB -0.349 62.866 63.200 0.025 0.000 0.777 341 S HN 0.167 nan 8.310 nan 0.000 0.518 342 L N -2.870 118.372 121.223 0.032 0.000 2.409 342 L HA 0.831 5.171 4.340 -0.000 0.000 0.255 342 L C -0.966 175.923 176.870 0.031 0.000 1.027 342 L CA -1.175 53.684 54.840 0.032 0.000 0.834 342 L CB 1.108 43.190 42.059 0.039 0.000 1.426 342 L HN -0.254 nan 8.230 nan 0.000 0.411 343 V N 2.084 122.015 119.914 0.029 0.000 2.376 343 V HA 0.516 4.636 4.120 -0.000 0.000 0.287 343 V C -0.358 175.752 176.094 0.028 0.000 1.015 343 V CA -0.354 61.962 62.300 0.027 0.000 0.834 343 V CB 1.243 33.079 31.823 0.021 0.000 1.001 343 V HN 0.614 nan 8.190 nan 0.000 0.428 344 L N 5.780 127.024 121.223 0.035 0.000 2.287 344 L HA 0.620 4.959 4.340 -0.000 0.000 0.287 344 L C 0.981 177.871 176.870 0.033 0.000 1.022 344 L CA -0.512 54.353 54.840 0.042 0.000 0.814 344 L CB 1.671 43.767 42.059 0.062 0.000 1.217 344 L HN 0.583 nan 8.230 nan 0.000 0.420 345 R N 1.289 121.796 120.500 0.012 0.000 2.316 345 R HA 0.203 4.543 4.340 -0.000 0.000 0.201 345 R C -0.466 175.795 176.300 -0.065 0.000 0.888 345 R CA 0.185 56.269 56.100 -0.027 0.000 1.041 345 R CB 0.514 30.784 30.300 -0.050 0.000 1.115 345 R HN 0.808 nan 8.270 nan 0.000 0.559 346 D N -2.520 117.877 120.400 -0.005 0.000 2.825 346 D HA 0.270 4.910 4.640 -0.000 0.000 0.327 346 D C 0.517 176.909 176.300 0.154 0.000 1.277 346 D CA -0.556 53.478 54.000 0.057 0.000 0.950 346 D CB 0.090 40.861 40.800 -0.048 0.000 1.438 346 D HN -0.129 nan 8.370 nan 0.000 0.526 347 G N -1.536 107.396 108.800 0.221 0.000 3.062 347 G HA2 0.139 4.099 3.960 -0.000 0.000 0.228 347 G HA3 0.139 4.099 3.960 -0.000 0.000 0.228 347 G C 0.888 175.879 174.900 0.151 0.000 1.094 347 G CA 0.510 45.714 45.100 0.173 0.000 0.782 347 G HN 0.486 nan 8.290 nan 0.000 0.541 348 S N -0.787 114.994 115.700 0.134 0.000 2.470 348 S HA 0.363 4.832 4.470 -0.000 0.000 0.222 348 S C 1.871 176.488 174.600 0.028 0.000 1.024 348 S CA 1.175 59.439 58.200 0.105 0.000 0.931 348 S CB 0.098 63.361 63.200 0.105 0.000 0.791 348 S HN 1.389 nan 8.310 nan 0.000 0.513 349 G N 1.229 110.031 108.800 0.004 0.000 2.141 349 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.231 349 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.231 349 G C 0.393 175.233 174.900 -0.100 0.000 0.984 349 G CA 0.244 45.317 45.100 -0.045 0.000 0.660 349 G HN 0.574 nan 8.290 nan 0.000 0.525 350 I N 0.889 121.406 120.570 -0.089 0.000 3.111 350 I HA 0.211 4.380 4.170 -0.000 0.000 0.272 350 I C 1.451 177.467 176.117 -0.169 0.000 1.268 350 I CA 1.014 62.235 61.300 -0.131 0.000 1.467 350 I CB 0.048 38.012 38.000 -0.060 0.000 1.087 350 I HN 0.282 nan 8.210 nan 0.000 0.467 351 S N -0.040 115.583 115.700 -0.128 0.000 2.489 351 S HA 0.093 4.563 4.470 -0.000 0.000 0.277 351 S C 1.165 175.698 174.600 -0.112 0.000 1.230 351 S CA -0.434 57.711 58.200 -0.092 0.000 1.053 351 S CB 0.328 63.491 63.200 -0.061 0.000 0.955 351 S HN 0.337 nan 8.310 nan 0.000 0.488 352 H N 4.575 123.630 119.070 -0.024 0.000 2.545 352 H HA 0.053 4.609 4.556 -0.000 0.000 0.282 352 H C 1.377 176.698 175.328 -0.012 0.000 1.020 352 H CA 1.175 57.213 56.048 -0.017 0.000 1.243 352 H CB 0.234 29.988 29.762 -0.013 0.000 1.377 352 H HN 0.631 nan 8.280 nan 0.000 0.581 353 I N 0.401 121.017 120.570 0.076 0.000 2.716 353 I HA -0.100 4.069 4.170 -0.000 0.000 0.259 353 I C 0.230 176.360 176.117 0.022 0.000 1.172 353 I CA 0.151 61.477 61.300 0.044 0.000 1.478 353 I CB -0.031 37.984 38.000 0.026 0.000 1.104 353 I HN -0.066 nan 8.210 nan 0.000 0.439 354 D N 2.606 123.008 120.400 0.003 0.000 2.533 354 D HA 0.258 4.898 4.640 -0.000 0.000 0.236 354 D C -0.039 176.266 176.300 0.007 0.000 1.137 354 D CA 0.619 54.619 54.000 -0.001 0.000 0.867 354 D CB 0.811 41.600 40.800 -0.019 0.000 1.170 354 D HN 0.220 nan 8.370 nan 0.000 0.474 355 A N 1.783 124.611 122.820 0.015 0.000 2.455 355 A HA 0.725 5.045 4.320 -0.000 0.000 0.300 355 A C -1.057 176.540 177.584 0.021 0.000 1.040 355 A CA -0.557 51.491 52.037 0.018 0.000 0.697 355 A CB 1.550 20.563 19.000 0.022 0.000 1.265 355 A HN 0.289 nan 8.150 nan 0.000 0.407 356 V N 0.434 120.360 119.914 0.020 0.000 3.225 356 V HA 0.695 4.815 4.120 -0.000 0.000 0.293 356 V C 0.080 176.187 176.094 0.022 0.000 1.405 356 V CA -0.364 61.950 62.300 0.023 0.000 1.038 356 V CB 1.905 33.742 31.823 0.023 0.000 1.123 356 V HN 1.399 nan 8.190 nan 0.000 0.447 357 S N 0.182 115.897 115.700 0.025 0.000 2.681 357 S HA 0.470 4.940 4.470 -0.000 0.000 0.299 357 S C 1.147 175.763 174.600 0.027 0.000 1.113 357 S CA 0.143 58.360 58.200 0.027 0.000 1.013 357 S CB 1.665 64.880 63.200 0.026 0.000 1.076 357 S HN 1.584 nan 8.310 nan 0.000 0.534 358 S N 0.043 115.764 115.700 0.035 0.000 2.474 358 S HA -0.099 4.370 4.470 -0.000 0.000 0.235 358 S C 0.791 175.411 174.600 0.034 0.000 0.997 358 S CA 0.982 59.204 58.200 0.037 0.000 0.949 358 S CB -0.627 62.612 63.200 0.065 0.000 0.766 358 S HN 0.722 nan 8.310 nan 0.000 0.517 359 D N 1.860 122.279 120.400 0.032 0.000 2.149 359 D HA -0.010 4.629 4.640 -0.000 0.000 0.201 359 D C 2.295 178.614 176.300 0.031 0.000 0.972 359 D CA 1.123 55.140 54.000 0.027 0.000 0.835 359 D CB -0.309 40.502 40.800 0.018 0.000 0.966 359 D HN 0.587 nan 8.370 nan 0.000 0.476 360 Q N -0.243 119.577 119.800 0.033 0.000 2.020 360 Q HA -0.073 4.267 4.340 -0.000 0.000 0.198 360 Q C 2.040 178.065 176.000 0.042 0.000 0.974 360 Q CA 0.491 56.321 55.803 0.045 0.000 0.829 360 Q CB -0.053 28.712 28.738 0.046 0.000 0.894 360 Q HN 0.124 nan 8.270 nan 0.000 0.433 361 L N 1.013 122.250 121.223 0.022 0.000 1.990 361 L HA -0.229 4.110 4.340 -0.000 0.000 0.213 361 L C 2.497 179.352 176.870 -0.025 0.000 1.072 361 L CA 2.404 57.242 54.840 -0.004 0.000 0.755 361 L CB -1.095 40.949 42.059 -0.026 0.000 0.889 361 L HN 0.309 nan 8.230 nan 0.000 0.432 362 S N -1.712 113.977 115.700 -0.019 0.000 2.419 362 S HA -0.246 4.223 4.470 -0.000 0.000 0.233 362 S C 1.865 176.490 174.600 0.042 0.000 1.016 362 S CA 1.052 59.239 58.200 -0.022 0.000 0.974 362 S CB -0.437 62.769 63.200 0.011 0.000 0.786 362 S HN 0.535 nan 8.310 nan 0.000 0.492 363 Q N 1.590 121.429 119.800 0.064 0.000 2.046 363 Q HA 0.028 4.368 4.340 -0.000 0.000 0.200 363 Q C 2.052 178.136 176.000 0.141 0.000 0.975 363 Q CA 1.608 57.487 55.803 0.127 0.000 0.836 363 Q CB -0.907 27.895 28.738 0.107 0.000 0.896 363 Q HN 0.532 nan 8.270 nan 0.000 0.428 364 L N -0.172 121.097 121.223 0.076 0.000 2.013 364 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 364 L C 2.146 178.986 176.870 -0.049 0.000 1.073 364 L CA 1.790 56.638 54.840 0.014 0.000 0.753 364 L CB -0.481 41.572 42.059 -0.010 0.000 0.890 364 L HN 0.405 nan 8.230 nan 0.000 0.432 365 L N -1.663 119.541 121.223 -0.032 0.000 2.083 365 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 365 L C 2.552 179.481 176.870 0.099 0.000 1.083 365 L CA 1.794 56.619 54.840 -0.025 0.000 0.752 365 L CB -0.882 40.977 42.059 -0.333 0.000 0.899 365 L HN 0.448 nan 8.230 nan 0.000 0.433 366 Y N 0.515 120.813 120.300 -0.003 0.000 2.163 366 Y HA -0.270 4.280 4.550 -0.001 0.000 0.288 366 Y C 2.431 178.306 175.900 -0.041 0.000 1.136 366 Y CA 1.825 59.932 58.100 0.011 0.000 1.147 366 Y CB -0.199 38.264 38.460 0.004 0.000 0.987 366 Y HN 0.165 nan 8.280 nan 0.000 0.509 367 D N 0.938 121.174 120.400 -0.274 0.000 2.097 367 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 367 D C 2.018 178.127 176.300 -0.319 0.000 0.984 367 D CA 1.825 55.621 54.000 -0.339 0.000 0.826 367 D CB -0.256 40.573 40.800 0.048 0.000 0.973 367 D HN 0.648 nan 8.370 nan 0.000 0.460 368 I N -1.034 119.363 120.570 -0.287 0.000 2.953 368 I HA -0.204 3.965 4.170 -0.000 0.000 0.271 368 I C 1.956 177.791 176.117 -0.469 0.000 1.286 368 I CA 0.673 61.753 61.300 -0.368 0.000 1.449 368 I CB -0.433 37.323 38.000 -0.407 0.000 1.086 368 I HN -0.054 nan 8.210 nan 0.000 0.483 369 Q N 2.034 121.420 119.800 -0.690 0.000 2.096 369 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 369 Q C 1.435 177.014 176.000 -0.701 0.000 0.982 369 Q CA 2.006 57.136 55.803 -1.121 0.000 0.850 369 Q CB -0.192 27.970 28.738 -0.961 0.000 0.901 369 Q HN 0.784 nan 8.270 nan 0.000 0.422 370 D N -0.325 119.790 120.400 -0.475 0.000 2.336 370 D HA -0.053 4.586 4.640 -0.000 0.000 0.229 370 D C 0.095 176.209 176.300 -0.310 0.000 1.061 370 D CA 0.107 53.912 54.000 -0.325 0.000 0.875 370 D CB 0.024 40.676 40.800 -0.246 0.000 0.904 370 D HN 0.027 nan 8.370 nan 0.000 0.525 371 Q N 1.085 120.621 119.800 -0.441 0.000 2.352 371 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 371 Q C 1.457 177.153 176.000 -0.506 0.000 0.976 371 Q CA -0.053 55.358 55.803 -0.653 0.000 0.881 371 Q CB 1.578 29.465 28.738 -1.418 0.000 1.235 371 Q HN 0.125 nan 8.270 nan 0.000 0.419 372 S N 3.264 118.726 115.700 -0.398 0.000 2.387 372 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 372 S C 1.134 175.706 174.600 -0.047 0.000 1.035 372 S CA 1.571 59.681 58.200 -0.151 0.000 1.014 372 S CB -0.520 62.658 63.200 -0.037 0.000 0.836 372 S HN 0.853 nan 8.310 nan 0.000 0.466 373 W N -0.312 121.032 121.300 0.073 0.000 3.405 373 W HA 0.353 5.013 4.660 -0.000 0.000 0.300 373 W C 1.112 177.680 176.519 0.081 0.000 1.286 373 W CA -0.946 56.433 57.345 0.056 0.000 1.762 373 W CB -0.997 28.483 29.460 0.035 0.000 1.087 373 W HN 0.204 nan 8.180 nan 0.000 0.703 374 F N 2.968 122.902 119.950 -0.027 0.000 2.126 374 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 374 F C 2.797 178.674 175.800 0.130 0.000 1.096 374 F CA 2.390 60.400 58.000 0.015 0.000 1.255 374 F CB -0.707 38.180 39.000 -0.189 0.000 0.997 374 F HN -0.055 nan 8.300 nan 0.000 0.479 375 S N -0.018 115.695 115.700 0.023 0.000 2.374 375 S HA -0.245 4.225 4.470 -0.000 0.000 0.227 375 S C 2.277 176.845 174.600 -0.052 0.000 1.037 375 S CA 1.498 59.675 58.200 -0.038 0.000 1.024 375 S CB -0.793 62.429 63.200 0.038 0.000 0.861 375 S HN 0.498 nan 8.310 nan 0.000 0.456 376 A N -0.352 122.490 122.820 0.037 0.000 1.929 376 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 376 A C 2.015 179.637 177.584 0.064 0.000 1.176 376 A CA 1.372 53.430 52.037 0.036 0.000 0.628 376 A CB -1.158 17.854 19.000 0.019 0.000 0.816 376 A HN 0.754 nan 8.150 nan 0.000 0.444 377 Y N -0.194 120.090 120.300 -0.027 0.000 2.145 377 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 377 Y C 2.094 177.908 175.900 -0.143 0.000 1.145 377 Y CA 1.919 60.036 58.100 0.029 0.000 1.148 377 Y CB -0.165 38.367 38.460 0.119 0.000 0.981 377 Y HN 0.275 nan 8.280 nan 0.000 0.507 378 L N 1.231 122.326 121.223 -0.213 0.000 2.083 378 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 378 L C 2.119 178.916 176.870 -0.121 0.000 1.083 378 L CA 2.061 56.733 54.840 -0.280 0.000 0.752 378 L CB -1.256 40.434 42.059 -0.615 0.000 0.899 378 L HN 0.406 nan 8.230 nan 0.000 0.433 379 N N -0.687 117.956 118.700 -0.095 0.000 2.223 379 N HA -0.187 4.553 4.740 -0.000 0.000 0.185 379 N C 1.652 177.148 175.510 -0.025 0.000 1.016 379 N CA 1.492 54.519 53.050 -0.039 0.000 0.863 379 N CB 0.044 38.521 38.487 -0.016 0.000 0.983 379 N HN 0.607 nan 8.380 nan 0.000 0.429 380 S N 0.161 115.844 115.700 -0.028 0.000 2.561 380 S HA 0.111 4.581 4.470 -0.000 0.000 0.225 380 S C 1.092 175.619 174.600 -0.123 0.000 0.977 380 S CA -0.126 58.047 58.200 -0.045 0.000 0.926 380 S CB -0.219 62.980 63.200 -0.001 0.000 0.769 380 S HN 0.184 nan 8.310 nan 0.000 0.533 381 L N 2.557 123.714 121.223 -0.109 0.000 2.360 381 L HA 0.336 4.676 4.340 -0.000 0.000 0.276 381 L C -2.500 174.343 176.870 -0.045 0.000 1.121 381 L CA -2.229 52.557 54.840 -0.090 0.000 0.845 381 L CB 0.235 42.294 42.059 -0.000 0.000 1.143 381 L HN -0.061 nan 8.230 nan 0.000 0.452 382 P HA -0.076 nan 4.420 nan 0.000 0.260 382 P C -0.599 176.704 177.300 0.004 0.000 1.172 382 P CA 0.141 63.221 63.100 -0.033 0.000 0.760 382 P CB 0.349 32.021 31.700 -0.046 0.000 0.773 383 V N 4.190 124.109 119.914 0.008 0.000 2.385 383 V HA 0.338 4.457 4.120 -0.000 0.000 0.269 383 V C 0.826 176.934 176.094 0.023 0.000 1.043 383 V CA -0.762 61.553 62.300 0.026 0.000 0.906 383 V CB 0.494 32.329 31.823 0.021 0.000 0.995 383 V HN 0.629 nan 8.190 nan 0.000 0.467 384 A N 4.374 127.216 122.820 0.037 0.000 2.546 384 A HA 0.492 4.811 4.320 -0.000 0.000 0.243 384 A C 1.605 179.201 177.584 0.019 0.000 1.063 384 A CA 0.744 52.799 52.037 0.029 0.000 0.757 384 A CB -0.443 18.583 19.000 0.042 0.000 0.991 384 A HN 2.066 nan 8.150 nan 0.000 0.503 385 G N 2.028 110.834 108.800 0.010 0.000 2.284 385 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.247 385 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.247 385 G C 0.411 175.314 174.900 0.004 0.000 1.012 385 G CA 0.528 45.632 45.100 0.006 0.000 0.618 385 G HN 1.143 nan 8.290 nan 0.000 0.521 386 N N 2.080 120.783 118.700 0.005 0.000 2.440 386 N HA 0.330 5.070 4.740 -0.000 0.000 0.265 386 N C -0.416 175.093 175.510 -0.003 0.000 1.239 386 N CA -0.692 52.359 53.050 0.002 0.000 0.909 386 N CB 1.168 39.658 38.487 0.004 0.000 1.066 386 N HN 0.156 nan 8.380 nan 0.000 0.474 387 P HA -0.099 nan 4.420 nan 0.000 0.230 387 P C -0.379 176.916 177.300 -0.008 0.000 1.158 387 P CA 0.768 63.865 63.100 -0.005 0.000 0.769 387 P CB 0.166 31.865 31.700 -0.002 0.000 0.807 388 D N 1.092 121.488 120.400 -0.007 0.000 2.325 388 D HA 0.020 4.660 4.640 -0.000 0.000 0.251 388 D C 1.590 177.880 176.300 -0.017 0.000 1.196 388 D CA -0.367 53.628 54.000 -0.009 0.000 0.866 388 D CB 0.794 41.591 40.800 -0.005 0.000 1.101 388 D HN 0.057 nan 8.370 nan 0.000 0.476 389 R N 3.441 123.927 120.500 -0.025 0.000 2.170 389 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 389 R C 0.948 177.226 176.300 -0.036 0.000 1.145 389 R CA 0.888 56.965 56.100 -0.038 0.000 0.984 389 R CB -0.210 30.057 30.300 -0.054 0.000 0.869 389 R HN 0.360 nan 8.270 nan 0.000 0.455 390 M N 1.035 120.621 119.600 -0.024 0.000 2.571 390 M HA 0.134 4.614 4.480 -0.000 0.000 0.235 390 M C 0.530 176.827 176.300 -0.006 0.000 1.216 390 M CA 0.162 55.454 55.300 -0.013 0.000 0.979 390 M CB 0.983 33.581 32.600 -0.002 0.000 1.616 390 M HN 0.114 nan 8.290 nan 0.000 0.469 391 V N -2.347 117.561 119.914 -0.011 0.000 3.163 391 V HA 0.171 4.291 4.120 -0.000 0.000 0.217 391 V C 1.889 177.977 176.094 -0.010 0.000 1.540 391 V CA 0.853 63.150 62.300 -0.006 0.000 1.205 391 V CB 0.135 31.958 31.823 -0.000 0.000 1.110 391 V HN 0.385 nan 8.190 nan 0.000 0.482 392 G N -0.100 108.692 108.800 -0.013 0.000 2.603 392 G HA2 0.418 4.378 3.960 -0.000 0.000 0.214 392 G HA3 0.418 4.378 3.960 -0.000 0.000 0.214 392 G C 1.096 175.981 174.900 -0.024 0.000 1.140 392 G CA 1.087 46.180 45.100 -0.012 0.000 0.800 392 G HN 1.022 nan 8.290 nan 0.000 0.533 393 G N 0.302 109.081 108.800 -0.035 0.000 2.581 393 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.291 393 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.291 393 G C 1.279 176.147 174.900 -0.052 0.000 1.277 393 G CA 1.810 46.878 45.100 -0.052 0.000 0.959 393 G HN 1.126 nan 8.290 nan 0.000 0.554 394 T N -0.740 113.776 114.554 -0.062 0.000 3.228 394 T HA 0.288 4.638 4.350 -0.000 0.000 0.261 394 T C 1.487 176.163 174.700 -0.040 0.000 1.171 394 T CA 1.500 63.566 62.100 -0.057 0.000 1.056 394 T CB -0.117 68.710 68.868 -0.070 0.000 0.938 394 T HN 0.588 nan 8.240 nan 0.000 0.539 395 L N 0.992 122.197 121.223 -0.031 0.000 3.218 395 L HA 0.396 4.736 4.340 -0.000 0.000 0.279 395 L C 2.172 179.036 176.870 -0.012 0.000 1.287 395 L CA -0.511 54.321 54.840 -0.015 0.000 1.024 395 L CB 0.164 42.222 42.059 -0.002 0.000 1.409 395 L HN 0.269 nan 8.230 nan 0.000 0.580 396 R N -1.226 119.263 120.500 -0.018 0.000 2.119 396 R HA 0.027 4.367 4.340 -0.000 0.000 0.222 396 R C 0.772 177.066 176.300 -0.010 0.000 1.088 396 R CA 0.930 57.022 56.100 -0.014 0.000 0.984 396 R CB -0.023 30.265 30.300 -0.020 0.000 0.884 396 R HN 0.239 nan 8.270 nan 0.000 0.447 397 N N 0.415 119.109 118.700 -0.011 0.000 2.203 397 N HA 0.093 4.833 4.740 -0.000 0.000 0.207 397 N C -0.462 175.045 175.510 -0.005 0.000 1.130 397 N CA 0.040 53.086 53.050 -0.007 0.000 0.861 397 N CB 0.557 39.040 38.487 -0.008 0.000 1.005 397 N HN 0.133 nan 8.380 nan 0.000 0.507 398 R N 0.381 120.878 120.500 -0.005 0.000 2.474 398 R HA 0.361 4.701 4.340 -0.000 0.000 0.295 398 R C 0.780 177.081 176.300 0.000 0.000 0.980 398 R CA -0.458 55.640 56.100 -0.003 0.000 0.934 398 R CB 1.176 31.474 30.300 -0.002 0.000 1.101 398 R HN 0.046 nan 8.270 nan 0.000 0.469 399 M N -0.026 119.573 119.600 -0.002 0.000 2.682 399 M HA -0.256 4.223 4.480 -0.000 0.000 0.196 399 M C -0.490 175.809 176.300 -0.001 0.000 0.542 399 M CA 1.261 56.560 55.300 -0.003 0.000 0.593 399 M CB -1.126 31.474 32.600 -0.000 0.000 2.183 399 M HN 0.442 nan 8.290 nan 0.000 0.663 400 K N 0.746 121.146 120.400 -0.001 0.000 2.298 400 K HA 0.381 4.701 4.320 -0.000 0.000 0.280 400 K C 1.231 177.831 176.600 -0.001 0.000 1.032 400 K CA 0.739 57.026 56.287 0.000 0.000 0.958 400 K CB 0.821 33.321 32.500 0.000 0.000 0.978 400 K HN 0.472 nan 8.250 nan 0.000 0.472 401 G N 1.819 110.619 108.800 -0.000 0.000 2.176 401 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 401 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 401 G C 0.050 174.948 174.900 -0.003 0.000 1.024 401 G CA 0.719 45.819 45.100 -0.001 0.000 0.755 401 G HN 0.716 nan 8.290 nan 0.000 0.507 402 T N -3.905 110.647 114.554 -0.004 0.000 2.901 402 T HA 0.785 5.134 4.350 -0.000 0.000 0.293 402 T C -1.203 173.493 174.700 -0.006 0.000 1.084 402 T CA -0.819 61.277 62.100 -0.008 0.000 1.008 402 T CB 2.867 71.727 68.868 -0.012 0.000 1.170 402 T HN -0.072 nan 8.240 nan 0.000 0.509 403 P HA -0.007 nan 4.420 nan 0.000 0.225 403 P C 1.406 178.704 177.300 -0.003 0.000 1.148 403 P CA 0.914 64.010 63.100 -0.007 0.000 0.779 403 P CB -0.290 31.403 31.700 -0.012 0.000 0.780 404 A N -0.068 122.747 122.820 -0.008 0.000 1.968 404 A HA -0.133 4.186 4.320 -0.000 0.000 0.217 404 A C 1.622 179.216 177.584 0.017 0.000 1.169 404 A CA 0.214 52.251 52.037 -0.001 0.000 0.638 404 A CB -1.189 17.802 19.000 -0.015 0.000 0.812 404 A HN 0.240 nan 8.150 nan 0.000 0.446 405 Q N -0.394 119.413 119.800 0.011 0.000 2.320 405 Q HA 0.237 4.576 4.340 -0.000 0.000 0.311 405 Q C 1.087 177.100 176.000 0.022 0.000 1.083 405 Q CA 0.805 56.617 55.803 0.016 0.000 1.001 405 Q CB -0.201 28.542 28.738 0.009 0.000 1.074 405 Q HN 0.964 nan 8.270 nan 0.000 0.379 406 G N 3.731 112.548 108.800 0.028 0.000 2.168 406 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 406 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 406 G C 0.543 175.468 174.900 0.042 0.000 0.977 406 G CA 0.563 45.682 45.100 0.031 0.000 0.659 406 G HN 0.637 nan 8.290 nan 0.000 0.533 407 K N -1.049 119.381 120.400 0.051 0.000 2.474 407 K HA 0.340 4.660 4.320 -0.000 0.000 0.202 407 K C 0.694 177.358 176.600 0.106 0.000 1.248 407 K CA 0.319 56.646 56.287 0.067 0.000 0.946 407 K CB 1.015 33.545 32.500 0.050 0.000 1.102 407 K HN 0.317 nan 8.250 nan 0.000 0.541 408 V N 3.526 123.507 119.914 0.111 0.000 2.350 408 V HA 0.308 4.428 4.120 -0.000 0.000 0.276 408 V C -0.278 175.920 176.094 0.173 0.000 1.028 408 V CA -0.612 61.795 62.300 0.178 0.000 0.860 408 V CB 1.061 32.981 31.823 0.162 0.000 0.990 408 V HN 0.069 nan 8.190 nan 0.000 0.453 409 R N 3.746 124.377 120.500 0.218 0.000 2.288 409 R HA 0.806 5.146 4.340 -0.000 0.000 0.326 409 R C -0.323 176.085 176.300 0.180 0.000 0.959 409 R CA -0.058 56.145 56.100 0.172 0.000 0.834 409 R CB 1.780 32.182 30.300 0.169 0.000 1.157 409 R HN 0.827 nan 8.270 nan 0.000 0.470 410 A N 2.361 125.233 122.820 0.087 0.000 2.593 410 A HA 0.612 4.931 4.320 -0.000 0.000 0.290 410 A C -1.557 175.996 177.584 -0.052 0.000 1.126 410 A CA -0.831 51.204 52.037 -0.003 0.000 0.695 410 A CB 1.643 20.639 19.000 -0.008 0.000 1.290 410 A HN 0.440 nan 8.150 nan 0.000 0.414 411 K N 0.669 121.004 120.400 -0.109 0.000 2.159 411 K HA 0.621 4.940 4.320 -0.000 0.000 0.266 411 K C 0.143 176.678 176.600 -0.109 0.000 0.975 411 K CA 0.271 56.478 56.287 -0.134 0.000 0.865 411 K CB 1.082 33.476 32.500 -0.177 0.000 1.087 411 K HN 0.904 nan 8.250 nan 0.000 0.446 412 T N -0.116 114.378 114.554 -0.101 0.000 2.912 412 T HA 0.801 5.150 4.350 -0.000 0.000 0.280 412 T C 0.254 174.895 174.700 -0.098 0.000 0.989 412 T CA -0.811 61.241 62.100 -0.079 0.000 0.995 412 T CB 1.596 70.424 68.868 -0.068 0.000 1.077 412 T HN 0.558 nan 8.240 nan 0.000 0.531 413 G N -0.772 107.976 108.800 -0.086 0.000 2.706 413 G HA2 0.560 4.520 3.960 -0.000 0.000 0.297 413 G HA3 0.560 4.520 3.960 -0.000 0.000 0.297 413 G C -1.343 173.499 174.900 -0.096 0.000 1.403 413 G CA -0.780 44.262 45.100 -0.098 0.000 0.954 413 G HN 0.908 nan 8.290 nan 0.000 0.500 414 S N 0.617 116.244 115.700 -0.122 0.000 2.590 414 S HA 0.656 5.125 4.470 -0.000 0.000 0.286 414 S C -0.941 173.565 174.600 -0.156 0.000 1.147 414 S CA -0.590 57.538 58.200 -0.121 0.000 0.963 414 S CB 0.281 63.411 63.200 -0.116 0.000 1.124 414 S HN 0.646 nan 8.310 nan 0.000 0.458 415 L N 1.652 122.804 121.223 -0.118 0.000 2.301 415 L HA 0.619 4.959 4.340 -0.000 0.000 0.249 415 L C 0.128 177.003 176.870 0.009 0.000 1.069 415 L CA -1.269 53.507 54.840 -0.107 0.000 0.865 415 L CB 1.793 43.715 42.059 -0.227 0.000 1.467 415 L HN 0.502 nan 8.230 nan 0.000 0.419 416 S N 0.589 116.353 115.700 0.107 0.000 2.516 416 S HA 0.178 4.647 4.470 -0.000 0.000 0.282 416 S C 0.681 175.345 174.600 0.107 0.000 1.286 416 S CA 0.856 59.107 58.200 0.085 0.000 1.066 416 S CB 0.288 63.526 63.200 0.064 0.000 0.884 416 S HN 0.962 nan 8.310 nan 0.000 0.491 417 T N -0.341 114.242 114.554 0.047 0.000 6.974 417 T HA -0.204 4.146 4.350 -0.000 0.000 0.287 417 T C 0.017 174.743 174.700 0.043 0.000 2.146 417 T CA 1.074 63.197 62.100 0.038 0.000 3.451 417 T CB -2.141 66.744 68.868 0.028 0.000 1.630 417 T HN 0.408 nan 8.240 nan 0.000 1.173 418 V N 0.671 120.612 119.914 0.045 0.000 2.769 418 V HA 0.897 5.016 4.120 -0.000 0.000 0.312 418 V C 0.073 176.156 176.094 -0.018 0.000 1.061 418 V CA -0.058 62.253 62.300 0.018 0.000 0.931 418 V CB 1.930 33.764 31.823 0.018 0.000 1.010 418 V HN 0.718 nan 8.190 nan 0.000 0.433 419 S N 2.053 117.739 115.700 -0.023 0.000 2.550 419 S HA 0.873 5.343 4.470 -0.000 0.000 0.270 419 S C -1.026 173.556 174.600 -0.030 0.000 1.145 419 S CA 0.108 58.288 58.200 -0.034 0.000 0.852 419 S CB 1.946 65.126 63.200 -0.032 0.000 1.119 419 S HN 1.531 nan 8.310 nan 0.000 0.465 420 S N 2.537 118.217 115.700 -0.033 0.000 2.552 420 S HA 0.770 5.239 4.470 -0.000 0.000 0.272 420 S C -2.042 172.550 174.600 -0.014 0.000 1.150 420 S CA -0.797 57.390 58.200 -0.021 0.000 0.849 420 S CB 1.333 64.514 63.200 -0.032 0.000 1.113 420 S HN 1.130 nan 8.310 nan 0.000 0.458 421 L N 1.817 123.054 121.223 0.023 0.000 2.470 421 L HA 0.865 5.205 4.340 -0.000 0.000 0.268 421 L C -1.231 175.643 176.870 0.007 0.000 0.964 421 L CA 0.296 55.168 54.840 0.054 0.000 0.839 421 L CB 2.085 44.243 42.059 0.163 0.000 1.276 421 L HN 1.227 nan 8.230 nan 0.000 0.403 422 S N 2.491 118.049 115.700 -0.237 0.000 2.566 422 S HA 1.008 5.478 4.470 -0.000 0.000 0.273 422 S C -0.487 173.680 174.600 -0.721 0.000 1.157 422 S CA -0.032 57.798 58.200 -0.618 0.000 0.938 422 S CB 1.537 64.538 63.200 -0.332 0.000 1.087 422 S HN 1.307 nan 8.310 nan 0.000 0.474 423 G N 1.394 109.455 108.800 -1.232 0.000 2.552 423 G HA2 0.457 4.416 3.960 -0.000 0.000 0.137 423 G HA3 0.457 4.416 3.960 -0.000 0.000 0.137 423 G C -2.213 172.180 174.900 -0.845 0.000 1.135 423 G CA -0.612 44.024 45.100 -0.774 0.000 1.047 423 G HN 0.683 nan 8.290 nan 0.000 0.501 424 Y N 0.236 120.541 120.300 0.007 0.000 2.524 424 Y HA 0.759 5.309 4.550 -0.000 0.000 0.344 424 Y C 0.329 176.424 175.900 0.326 0.000 1.012 424 Y CA -0.403 57.817 58.100 0.200 0.000 1.068 424 Y CB 2.658 41.230 38.460 0.186 0.000 1.249 424 Y HN 0.823 nan 8.280 nan 0.000 0.468 425 A N 1.786 124.884 122.820 0.463 0.000 2.353 425 A HA 0.518 4.837 4.320 -0.000 0.000 0.299 425 A C -1.050 176.650 177.584 0.193 0.000 1.089 425 A CA -0.869 51.339 52.037 0.284 0.000 0.736 425 A CB 0.670 19.774 19.000 0.174 0.000 1.195 425 A HN 0.797 nan 8.150 nan 0.000 0.447 426 E N 1.261 121.547 120.200 0.143 0.000 2.354 426 E HA 0.262 4.612 4.350 -0.000 0.000 0.269 426 E C 0.768 177.409 176.600 0.068 0.000 1.036 426 E CA 0.324 56.783 56.400 0.100 0.000 0.876 426 E CB 0.954 30.701 29.700 0.079 0.000 1.009 426 E HN 0.727 nan 8.360 nan 0.000 0.416 427 T N -0.074 114.513 114.554 0.055 0.000 3.086 427 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 427 T C 1.095 175.808 174.700 0.023 0.000 1.074 427 T CA -0.353 61.767 62.100 0.033 0.000 0.988 427 T CB 0.208 69.094 68.868 0.030 0.000 0.988 427 T HN 0.427 nan 8.240 nan 0.000 0.530 428 K N 0.802 121.218 120.400 0.027 0.000 5.503 428 K HA -0.217 4.103 4.320 -0.000 0.000 0.447 428 K C 1.185 177.796 176.600 0.017 0.000 0.396 428 K CA 2.233 58.532 56.287 0.020 0.000 1.904 428 K CB -2.137 30.371 32.500 0.014 0.000 0.786 428 K HN 0.722 nan 8.250 nan 0.000 0.639 429 S N 0.461 116.170 115.700 0.016 0.000 2.967 429 S HA 0.401 4.870 4.470 -0.000 0.000 0.254 429 S C 1.156 175.766 174.600 0.018 0.000 1.089 429 S CA 1.489 59.697 58.200 0.014 0.000 1.183 429 S CB 0.075 63.282 63.200 0.011 0.000 0.848 429 S HN 0.922 nan 8.310 nan 0.000 0.477 430 G N 2.208 111.021 108.800 0.021 0.000 4.794 430 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.275 430 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.275 430 G C 0.120 175.038 174.900 0.032 0.000 1.648 430 G CA -0.092 45.022 45.100 0.023 0.000 1.154 430 G HN 1.010 nan 8.290 nan 0.000 0.680 431 K N 1.758 122.179 120.400 0.034 0.000 2.339 431 K HA 0.433 4.753 4.320 -0.000 0.000 0.260 431 K C 0.106 176.743 176.600 0.063 0.000 0.989 431 K CA 0.753 57.068 56.287 0.045 0.000 0.888 431 K CB 0.591 33.118 32.500 0.044 0.000 0.983 431 K HN 0.665 nan 8.250 nan 0.000 0.515 432 K N 1.249 121.699 120.400 0.084 0.000 2.385 432 K HA 0.418 4.738 4.320 -0.000 0.000 0.248 432 K C -1.301 175.390 176.600 0.151 0.000 0.955 432 K CA -0.867 55.495 56.287 0.124 0.000 0.816 432 K CB 1.180 33.760 32.500 0.133 0.000 1.250 432 K HN 0.631 nan 8.250 nan 0.000 0.434 433 L N 2.401 123.740 121.223 0.193 0.000 2.341 433 L HA 0.582 4.922 4.340 -0.000 0.000 0.267 433 L C -0.718 176.321 176.870 0.281 0.000 1.009 433 L CA -1.409 53.551 54.840 0.201 0.000 0.819 433 L CB 2.074 44.224 42.059 0.152 0.000 1.323 433 L HN 0.319 nan 8.230 nan 0.000 0.425 434 V N 1.796 121.846 119.914 0.226 0.000 2.547 434 V HA 0.593 4.713 4.120 -0.000 0.000 0.299 434 V C -0.697 175.506 176.094 0.182 0.000 1.040 434 V CA -0.494 61.879 62.300 0.123 0.000 0.913 434 V CB 1.586 33.465 31.823 0.093 0.000 0.992 434 V HN 0.626 nan 8.190 nan 0.000 0.449 435 F N 1.500 121.398 119.950 -0.086 0.000 2.665 435 F HA 0.801 5.328 4.527 -0.001 0.000 0.308 435 F C -0.830 174.932 175.800 -0.063 0.000 1.112 435 F CA -0.712 57.261 58.000 -0.045 0.000 0.972 435 F CB 1.844 40.828 39.000 -0.026 0.000 1.295 435 F HN 0.362 nan 8.300 nan 0.000 0.440 436 S N 3.561 119.285 115.700 0.041 0.000 2.672 436 S HA 0.778 5.248 4.470 -0.000 0.000 0.291 436 S C -1.394 173.282 174.600 0.127 0.000 1.145 436 S CA -0.522 57.653 58.200 -0.041 0.000 1.013 436 S CB 0.821 63.989 63.200 -0.053 0.000 1.017 436 S HN 0.670 nan 8.310 nan 0.000 0.487 437 I N 5.731 126.382 120.570 0.135 0.000 2.411 437 I HA 0.413 4.582 4.170 -0.000 0.000 0.284 437 I C -1.015 175.132 176.117 0.051 0.000 1.012 437 I CA -0.524 60.850 61.300 0.123 0.000 1.119 437 I CB 1.419 39.513 38.000 0.156 0.000 1.261 437 I HN 0.419 nan 8.210 nan 0.000 0.448 438 L N 7.343 128.587 121.223 0.036 0.000 2.305 438 L HA 0.604 4.944 4.340 -0.000 0.000 0.284 438 L C -0.755 176.120 176.870 0.010 0.000 1.013 438 L CA -0.565 54.284 54.840 0.015 0.000 0.819 438 L CB 1.532 43.602 42.059 0.018 0.000 1.227 438 L HN 0.429 nan 8.230 nan 0.000 0.417 439 L N 4.071 125.291 121.223 -0.004 0.000 2.343 439 L HA 0.510 4.849 4.340 -0.000 0.000 0.278 439 L C -0.441 176.430 176.870 0.002 0.000 0.996 439 L CA -0.224 54.611 54.840 -0.009 0.000 0.831 439 L CB 1.558 43.597 42.059 -0.033 0.000 1.232 439 L HN 0.684 nan 8.230 nan 0.000 0.413 440 N N 0.968 119.677 118.700 0.014 0.000 2.531 440 N HA 0.513 5.252 4.740 -0.000 0.000 0.290 440 N C 0.663 176.187 175.510 0.024 0.000 1.257 440 N CA -0.271 52.794 53.050 0.026 0.000 0.863 440 N CB 1.853 40.361 38.487 0.035 0.000 1.320 440 N HN 0.774 nan 8.380 nan 0.000 0.538 441 G N 0.306 109.122 108.800 0.027 0.000 2.203 441 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 441 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 441 G C -0.163 174.747 174.900 0.018 0.000 1.012 441 G CA 0.319 45.432 45.100 0.021 0.000 0.749 441 G HN 0.285 nan 8.290 nan 0.000 0.512 442 L N 0.126 121.359 121.223 0.016 0.000 2.395 442 L HA 0.328 4.668 4.340 -0.000 0.000 0.269 442 L C 1.959 178.837 176.870 0.014 0.000 1.133 442 L CA -1.306 53.542 54.840 0.015 0.000 0.812 442 L CB 0.525 42.590 42.059 0.010 0.000 1.125 442 L HN -0.111 nan 8.230 nan 0.000 0.452 443 I N 0.594 121.173 120.570 0.015 0.000 2.353 443 I HA -0.090 4.080 4.170 -0.000 0.000 0.248 443 I C 0.610 176.733 176.117 0.011 0.000 1.119 443 I CA 1.340 62.648 61.300 0.012 0.000 1.417 443 I CB -0.671 37.337 38.000 0.013 0.000 1.078 443 I HN 0.696 nan 8.210 nan 0.000 0.421 444 D N -0.372 120.036 120.400 0.013 0.000 2.575 444 D HA 0.203 4.842 4.640 -0.000 0.000 0.250 444 D C 0.697 177.002 176.300 0.008 0.000 1.279 444 D CA -0.263 53.743 54.000 0.010 0.000 0.925 444 D CB 1.235 42.042 40.800 0.011 0.000 1.261 444 D HN -0.119 nan 8.370 nan 0.000 0.567 445 E N 1.977 122.177 120.200 0.002 0.000 2.171 445 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 445 E C 1.289 177.883 176.600 -0.011 0.000 0.997 445 E CA 1.040 57.436 56.400 -0.007 0.000 0.810 445 E CB 0.041 29.732 29.700 -0.015 0.000 0.738 445 E HN 0.530 nan 8.360 nan 0.000 0.467 446 E N 1.077 121.273 120.200 -0.007 0.000 2.209 446 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 446 E C 1.264 177.867 176.600 0.005 0.000 0.993 446 E CA 1.105 57.502 56.400 -0.005 0.000 0.819 446 E CB -0.244 29.456 29.700 -0.000 0.000 0.745 446 E HN 0.423 nan 8.360 nan 0.000 0.477 447 D N 0.084 120.493 120.400 0.015 0.000 2.178 447 D HA -0.114 4.525 4.640 -0.000 0.000 0.201 447 D C 1.979 178.277 176.300 -0.003 0.000 0.980 447 D CA 1.298 55.321 54.000 0.039 0.000 0.842 447 D CB -0.597 40.240 40.800 0.061 0.000 0.948 447 D HN 0.306 nan 8.370 nan 0.000 0.472 448 G N 1.407 110.189 108.800 -0.030 0.000 2.440 448 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 448 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 448 G C 1.575 176.436 174.900 -0.067 0.000 1.154 448 G CA 0.807 45.868 45.100 -0.066 0.000 0.767 448 G HN 0.288 nan 8.290 nan 0.000 0.552 449 K N 0.621 120.999 120.400 -0.037 0.000 2.113 449 K HA -0.111 4.208 4.320 -0.000 0.000 0.208 449 K C 2.081 178.663 176.600 -0.029 0.000 1.047 449 K CA 1.452 57.722 56.287 -0.028 0.000 0.928 449 K CB -0.196 32.294 32.500 -0.017 0.000 0.716 449 K HN 0.325 nan 8.250 nan 0.000 0.446 450 D N 1.125 121.515 120.400 -0.016 0.000 2.092 450 D HA -0.162 4.477 4.640 -0.000 0.000 0.193 450 D C 2.062 178.331 176.300 -0.052 0.000 0.994 450 D CA 1.305 55.310 54.000 0.009 0.000 0.828 450 D CB -0.247 40.615 40.800 0.103 0.000 0.963 450 D HN 0.226 nan 8.370 nan 0.000 0.450 451 I N 1.304 121.769 120.570 -0.175 0.000 2.163 451 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 451 I C 2.381 178.404 176.117 -0.158 0.000 1.085 451 I CA 1.260 62.393 61.300 -0.278 0.000 1.347 451 I CB -0.370 37.381 38.000 -0.414 0.000 1.044 451 I HN -0.064 nan 8.210 nan 0.000 0.408 452 E N 1.045 121.181 120.200 -0.107 0.000 2.038 452 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 452 E C 1.870 178.422 176.600 -0.080 0.000 1.000 452 E CA 1.627 57.988 56.400 -0.065 0.000 0.803 452 E CB -0.130 29.565 29.700 -0.008 0.000 0.750 452 E HN 0.416 nan 8.360 nan 0.000 0.448 453 D N 0.636 121.002 120.400 -0.057 0.000 2.116 453 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 453 D C 2.018 178.271 176.300 -0.079 0.000 0.998 453 D CA 1.202 55.170 54.000 -0.053 0.000 0.836 453 D CB -0.298 40.485 40.800 -0.029 0.000 0.951 453 D HN 0.288 nan 8.370 nan 0.000 0.449 454 Q N -0.032 119.722 119.800 -0.077 0.000 2.050 454 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 454 Q C 2.614 178.537 176.000 -0.129 0.000 0.980 454 Q CA 0.830 56.585 55.803 -0.079 0.000 0.840 454 Q CB -0.122 28.585 28.738 -0.052 0.000 0.898 454 Q HN 0.372 nan 8.270 nan 0.000 0.424 455 I N 0.848 121.317 120.570 -0.169 0.000 2.226 455 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 455 I C 2.510 178.435 176.117 -0.320 0.000 1.100 455 I CA 0.946 62.100 61.300 -0.243 0.000 1.374 455 I CB -0.472 37.371 38.000 -0.261 0.000 1.057 455 I HN 0.152 nan 8.210 nan 0.000 0.413 456 A N 0.472 123.097 122.820 -0.324 0.000 1.892 456 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 456 A C 2.443 179.887 177.584 -0.234 0.000 1.188 456 A CA 2.130 53.942 52.037 -0.375 0.000 0.631 456 A CB -1.077 17.802 19.000 -0.202 0.000 0.822 456 A HN 0.250 nan 8.150 nan 0.000 0.447 457 V N 0.590 120.414 119.914 -0.151 0.000 2.343 457 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 457 V C 2.451 178.481 176.094 -0.107 0.000 1.051 457 V CA 1.642 63.882 62.300 -0.100 0.000 1.036 457 V CB -0.678 31.104 31.823 -0.070 0.000 0.654 457 V HN 0.514 nan 8.190 nan 0.000 0.451 458 I N -0.083 120.407 120.570 -0.134 0.000 2.151 458 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 458 I C 2.394 178.435 176.117 -0.127 0.000 1.080 458 I CA 1.970 63.194 61.300 -0.127 0.000 1.339 458 I CB -1.142 36.761 38.000 -0.162 0.000 1.039 458 I HN 0.291 nan 8.210 nan 0.000 0.409 459 L N 0.545 121.661 121.223 -0.177 0.000 2.017 459 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 459 L C 2.846 179.666 176.870 -0.084 0.000 1.073 459 L CA 1.468 56.216 54.840 -0.154 0.000 0.745 459 L CB -0.905 40.998 42.059 -0.260 0.000 0.894 459 L HN 0.194 nan 8.230 nan 0.000 0.432 460 A N 0.283 123.054 122.820 -0.081 0.000 1.948 460 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 460 A C 2.070 179.640 177.584 -0.024 0.000 1.177 460 A CA 2.002 54.019 52.037 -0.034 0.000 0.636 460 A CB -0.647 18.335 19.000 -0.030 0.000 0.815 460 A HN 0.493 nan 8.150 nan 0.000 0.449 461 N N -0.353 118.325 118.700 -0.037 0.000 2.309 461 N HA -0.075 4.665 4.740 -0.000 0.000 0.182 461 N C 0.929 176.427 175.510 -0.019 0.000 1.018 461 N CA 0.589 53.623 53.050 -0.027 0.000 0.876 461 N CB -0.284 38.183 38.487 -0.034 0.000 0.972 461 N HN 0.487 nan 8.380 nan 0.000 0.434 462 Q N 0.000 119.786 119.800 -0.023 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.795 55.803 -0.012 0.000 1.022 462 Q CB 0.000 28.732 28.738 -0.011 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481