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 3prl_1_A DATA FIRST_RESID 9 DATA SEQUENCE QFNANILRNG EWVESRTGER ISISAPASGV ALGSIPALSQ EEVNDAIQGA DATA SEQUENCE KDAQKIWKIR PIHERVDLLY AWADLLEERK EIIGELIMHE VAKPKKSAIG DATA SEQUENCE EVSRTADIIR HTADEALRLN GETLKGDQFK GGSSKKIALV EREPLGVVLA DATA SEQUENCE ISPFNYPVNL AAAKIAPALV TGNTVVFKPA TQGSLSGIKM VEALADAGAP DATA SEQUENCE EGIIQVVTGR GSVIGDHLVE HPGIDMITFT GGTTTGERIS EKAKMIPVVL DATA SEQUENCE ELGGKDPAIV LDDADLKLTA SQIVSGAFSY SGQRCTAIKR VFVQDSVADQ DATA SEQUENCE LVANIKELVE QLTVGSPEDD ADITPVIDEK SAAFIQGLID DALENGATLL DATA SEQUENCE SGNKRQGNLL SPTLLDDVTP AMRVAWEEPF GPVLPIIRVK DANEAISLSN DATA SEQUENCE QSDYGLQASI FTKDTDRAIN IGKHLEVGTV HINAKTERGP DHFPFLGVKK DATA SEQUENCE SGLGVQGIKP SLLSMTRERV TVLNL 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 9 Q HA 0.000 nan 4.340 nan 0.000 0.214 9 Q C 0.000 176.084 176.000 0.140 0.000 1.003 9 Q CA 0.000 55.840 55.803 0.062 0.000 1.022 9 Q CB 0.000 28.754 28.738 0.026 0.000 1.108 10 F N 3.405 123.342 119.950 -0.021 0.000 2.291 10 F HA 0.467 4.996 4.527 0.003 0.000 0.368 10 F C -0.791 174.998 175.800 -0.018 0.000 1.085 10 F CA -0.885 57.101 58.000 -0.023 0.000 1.165 10 F CB 0.816 39.803 39.000 -0.020 0.000 1.429 10 F HN 0.527 nan 8.300 nan 0.000 0.503 11 N N 5.743 124.351 118.700 -0.154 0.000 2.663 11 N HA 0.205 4.947 4.740 0.003 0.000 0.250 11 N C -0.051 175.215 175.510 -0.406 0.000 1.129 11 N CA 0.018 52.911 53.050 -0.262 0.000 0.995 11 N CB 1.223 39.650 38.487 -0.099 0.000 1.324 11 N HN 0.634 nan 8.380 nan 0.000 0.512 12 A N 2.484 124.848 122.820 -0.758 0.000 2.386 12 A HA 0.304 4.626 4.320 0.003 0.000 0.248 12 A C 0.597 178.055 177.584 -0.211 0.000 1.082 12 A CA -0.279 51.348 52.037 -0.683 0.000 0.789 12 A CB 0.525 19.028 19.000 -0.828 0.000 1.025 12 A HN 0.482 nan 8.150 nan 0.000 0.490 13 N N -0.833 117.846 118.700 -0.035 0.000 2.518 13 N HA 0.648 5.390 4.740 0.003 0.000 0.284 13 N C -0.489 175.205 175.510 0.306 0.000 1.230 13 N CA -0.366 52.760 53.050 0.127 0.000 0.941 13 N CB 1.219 39.831 38.487 0.209 0.000 1.219 13 N HN 0.642 nan 8.380 nan 0.000 0.560 14 I N -1.821 118.922 120.570 0.288 0.000 2.863 14 I HA 0.543 4.715 4.170 0.003 0.000 0.311 14 I C -0.529 175.645 176.117 0.095 0.000 1.026 14 I CA -0.995 60.469 61.300 0.274 0.000 1.077 14 I CB 0.677 38.729 38.000 0.087 0.000 1.262 14 I HN 0.187 nan 8.210 nan 0.000 0.461 15 L N 3.359 124.427 121.223 -0.258 0.000 2.292 15 L HA 0.654 4.996 4.340 0.003 0.000 0.284 15 L C -0.327 176.327 176.870 -0.359 0.000 1.065 15 L CA 0.051 54.474 54.840 -0.695 0.000 0.806 15 L CB 0.607 42.002 42.059 -1.106 0.000 1.175 15 L HN 0.856 nan 8.230 nan 0.000 0.431 16 R N 3.745 124.044 120.500 -0.334 0.000 2.508 16 R HA 0.315 4.657 4.340 0.003 0.000 0.283 16 R C -0.568 175.610 176.300 -0.204 0.000 1.120 16 R CA -0.478 55.494 56.100 -0.212 0.000 0.958 16 R CB 0.668 30.890 30.300 -0.131 0.000 1.215 16 R HN 0.748 nan 8.270 nan 0.000 0.427 17 N N 2.845 121.435 118.700 -0.185 0.000 2.721 17 N HA -0.222 4.520 4.740 0.003 0.000 0.249 17 N C 0.664 176.073 175.510 -0.170 0.000 1.072 17 N CA 1.964 54.922 53.050 -0.153 0.000 0.710 17 N CB -1.100 37.325 38.487 -0.104 0.000 0.993 17 N HN 1.100 nan 8.380 nan 0.000 0.547 18 G N -1.098 107.556 108.800 -0.242 0.000 2.241 18 G HA2 -0.342 3.619 3.960 0.003 0.000 0.244 18 G HA3 -0.342 3.619 3.960 0.003 0.000 0.244 18 G C -0.173 174.574 174.900 -0.256 0.000 0.998 18 G CA 0.684 45.643 45.100 -0.235 0.000 0.621 18 G HN 0.882 nan 8.290 nan 0.000 0.519 19 E N -0.519 119.534 120.200 -0.244 0.000 2.207 19 E HA 0.563 4.914 4.350 0.003 0.000 0.270 19 E C -0.855 175.595 176.600 -0.251 0.000 0.927 19 E CA -1.500 54.799 56.400 -0.169 0.000 0.799 19 E CB 1.026 30.699 29.700 -0.044 0.000 1.172 19 E HN 0.305 nan 8.360 nan 0.000 0.404 20 W N 3.185 124.486 121.300 0.001 0.000 2.332 20 W HA 0.393 5.055 4.660 0.003 0.000 0.306 20 W C -0.405 176.116 176.519 0.003 0.000 1.149 20 W CA -0.450 56.900 57.345 0.008 0.000 1.271 20 W CB 1.336 30.811 29.460 0.026 0.000 1.243 20 W HN 0.441 nan 8.180 nan 0.000 0.459 21 V N -0.036 119.989 119.914 0.185 0.000 3.074 21 V HA 0.566 4.688 4.120 0.003 0.000 0.314 21 V C -0.395 175.753 176.094 0.090 0.000 1.117 21 V CA -1.406 60.957 62.300 0.105 0.000 1.014 21 V CB 1.840 33.686 31.823 0.038 0.000 1.057 21 V HN 0.532 nan 8.190 nan 0.000 0.438 22 E N 0.468 120.700 120.200 0.053 0.000 2.302 22 E HA 0.491 4.843 4.350 0.003 0.000 0.255 22 E C -0.284 176.323 176.600 0.011 0.000 1.099 22 E CA -0.657 55.759 56.400 0.027 0.000 0.929 22 E CB 1.888 31.597 29.700 0.015 0.000 1.203 22 E HN 0.907 nan 8.360 nan 0.000 0.459 23 S N -0.130 115.569 115.700 -0.001 0.000 2.548 23 S HA 0.104 4.576 4.470 0.003 0.000 0.277 23 S C 0.981 175.577 174.600 -0.008 0.000 1.315 23 S CA -0.147 58.047 58.200 -0.009 0.000 1.050 23 S CB 0.518 63.709 63.200 -0.016 0.000 0.918 23 S HN 0.503 nan 8.310 nan 0.000 0.497 24 R N 1.822 122.316 120.500 -0.009 0.000 2.127 24 R HA -0.091 4.251 4.340 0.003 0.000 0.238 24 R C 2.208 178.502 176.300 -0.011 0.000 1.134 24 R CA 1.699 57.794 56.100 -0.009 0.000 0.975 24 R CB -0.739 29.555 30.300 -0.010 0.000 0.865 24 R HN 0.693 nan 8.270 nan 0.000 0.447 25 T N -0.651 113.894 114.554 -0.014 0.000 3.098 25 T HA -0.028 4.323 4.350 0.003 0.000 0.266 25 T C 1.341 176.033 174.700 -0.014 0.000 1.145 25 T CA 1.105 63.196 62.100 -0.015 0.000 1.092 25 T CB -0.353 68.503 68.868 -0.020 0.000 0.908 25 T HN 0.604 nan 8.240 nan 0.000 0.526 26 G N 1.554 110.347 108.800 -0.012 0.000 2.175 26 G HA2 -0.286 3.675 3.960 0.003 0.000 0.265 26 G HA3 -0.286 3.675 3.960 0.003 0.000 0.265 26 G C -0.086 174.805 174.900 -0.015 0.000 0.979 26 G CA 0.751 45.844 45.100 -0.011 0.000 0.663 26 G HN 0.809 nan 8.290 nan 0.000 0.533 27 E N -0.534 119.656 120.200 -0.017 0.000 2.280 27 E HA 0.809 5.161 4.350 0.003 0.000 0.264 27 E C 0.163 176.749 176.600 -0.024 0.000 1.064 27 E CA -0.926 55.462 56.400 -0.020 0.000 0.900 27 E CB 1.429 31.118 29.700 -0.020 0.000 1.123 27 E HN 0.374 nan 8.360 nan 0.000 0.418 28 R N 0.639 121.123 120.500 -0.026 0.000 2.739 28 R HA 0.508 4.849 4.340 0.003 0.000 0.271 28 R C -0.990 175.291 176.300 -0.032 0.000 1.010 28 R CA -0.810 55.270 56.100 -0.033 0.000 0.897 28 R CB 1.824 32.100 30.300 -0.039 0.000 1.236 28 R HN 0.524 nan 8.270 nan 0.000 0.466 29 I N 0.879 121.427 120.570 -0.036 0.000 2.406 29 I HA 0.248 4.420 4.170 0.003 0.000 0.290 29 I C -0.155 175.941 176.117 -0.035 0.000 0.999 29 I CA -0.415 60.867 61.300 -0.031 0.000 1.124 29 I CB 2.274 40.258 38.000 -0.028 0.000 1.289 29 I HN 0.428 nan 8.210 nan 0.000 0.441 30 S N 6.421 122.104 115.700 -0.028 0.000 2.565 30 S HA 0.556 5.028 4.470 0.003 0.000 0.276 30 S C -0.224 174.364 174.600 -0.021 0.000 1.326 30 S CA -0.242 57.941 58.200 -0.027 0.000 1.045 30 S CB 0.575 63.763 63.200 -0.021 0.000 0.918 30 S HN 0.317 nan 8.310 nan 0.000 0.505 31 I N 2.255 122.814 120.570 -0.018 0.000 2.439 31 I HA 0.315 4.486 4.170 0.003 0.000 0.285 31 I C -0.127 175.993 176.117 0.004 0.000 1.021 31 I CA -0.175 61.123 61.300 -0.003 0.000 1.091 31 I CB 1.919 39.922 38.000 0.005 0.000 1.242 31 I HN 0.444 nan 8.210 nan 0.000 0.439 32 S N 3.520 119.224 115.700 0.006 0.000 2.607 32 S HA 0.730 5.201 4.470 0.003 0.000 0.303 32 S C -0.102 174.511 174.600 0.022 0.000 1.086 32 S CA -0.638 57.566 58.200 0.007 0.000 0.995 32 S CB 1.973 65.173 63.200 -0.001 0.000 1.084 32 S HN 0.664 nan 8.310 nan 0.000 0.507 33 A N 2.714 125.548 122.820 0.024 0.000 2.451 33 A HA 0.427 4.749 4.320 0.003 0.000 0.266 33 A C -1.884 175.728 177.584 0.047 0.000 1.119 33 A CA -1.134 50.935 52.037 0.053 0.000 0.786 33 A CB -0.279 18.757 19.000 0.060 0.000 1.061 33 A HN 0.524 nan 8.150 nan 0.000 0.503 34 P HA -0.117 nan 4.420 nan 0.000 0.223 34 P C 1.276 178.600 177.300 0.040 0.000 1.144 34 P CA 1.772 64.891 63.100 0.033 0.000 0.783 34 P CB 0.334 32.053 31.700 0.031 0.000 0.771 35 A N -0.731 122.126 122.820 0.062 0.000 1.997 35 A HA 0.038 4.360 4.320 0.003 0.000 0.212 35 A C 1.964 179.576 177.584 0.047 0.000 1.178 35 A CA 1.540 53.613 52.037 0.060 0.000 0.698 35 A CB -0.508 18.541 19.000 0.082 0.000 0.842 35 A HN 0.287 nan 8.150 nan 0.000 0.458 36 S N -3.709 112.018 115.700 0.045 0.000 2.728 36 S HA 0.424 4.896 4.470 0.003 0.000 0.257 36 S C 1.330 175.939 174.600 0.015 0.000 1.060 36 S CA 1.106 59.324 58.200 0.030 0.000 1.126 36 S CB 0.195 63.415 63.200 0.034 0.000 1.099 36 S HN 1.837 nan 8.310 nan 0.000 0.617 37 G N 1.403 110.211 108.800 0.014 0.000 2.189 37 G HA2 -0.266 3.696 3.960 0.003 0.000 0.267 37 G HA3 -0.266 3.696 3.960 0.003 0.000 0.267 37 G C 0.125 175.023 174.900 -0.003 0.000 0.975 37 G CA 0.213 45.316 45.100 0.005 0.000 0.644 37 G HN 0.766 nan 8.290 nan 0.000 0.537 38 V N 1.500 121.407 119.914 -0.011 0.000 2.572 38 V HA 0.488 4.610 4.120 0.003 0.000 0.291 38 V C 1.309 177.388 176.094 -0.026 0.000 1.039 38 V CA 0.055 62.340 62.300 -0.026 0.000 1.055 38 V CB 1.047 32.839 31.823 -0.051 0.000 0.969 38 V HN 1.186 nan 8.190 nan 0.000 0.482 39 A N 5.874 128.682 122.820 -0.021 0.000 2.545 39 A HA 0.253 4.575 4.320 0.003 0.000 0.253 39 A C 0.918 178.492 177.584 -0.017 0.000 1.074 39 A CA 0.091 52.119 52.037 -0.015 0.000 0.760 39 A CB -0.073 18.919 19.000 -0.013 0.000 1.005 39 A HN 0.937 nan 8.150 nan 0.000 0.506 40 L N 2.241 123.462 121.223 -0.004 0.000 2.408 40 L HA 0.351 4.692 4.340 0.003 0.000 0.215 40 L C 1.363 178.258 176.870 0.043 0.000 1.081 40 L CA 1.037 55.887 54.840 0.016 0.000 0.840 40 L CB 0.082 42.164 42.059 0.039 0.000 1.002 40 L HN 0.994 nan 8.230 nan 0.000 0.468 41 G N -0.900 107.905 108.800 0.008 0.000 2.398 41 G HA2 0.225 4.186 3.960 0.003 0.000 0.251 41 G HA3 0.225 4.186 3.960 0.003 0.000 0.251 41 G C -1.408 173.452 174.900 -0.067 0.000 1.277 41 G CA 0.125 45.207 45.100 -0.030 0.000 0.927 41 G HN 0.157 nan 8.290 nan 0.000 0.477 42 S N -1.422 114.197 115.700 -0.135 0.000 2.611 42 S HA 0.804 5.275 4.470 0.003 0.000 0.268 42 S C -0.941 173.557 174.600 -0.169 0.000 1.156 42 S CA -0.123 58.006 58.200 -0.117 0.000 0.817 42 S CB 1.521 64.669 63.200 -0.086 0.000 1.122 42 S HN 2.128 nan 8.310 nan 0.000 0.466 43 I N -2.533 117.969 120.570 -0.114 0.000 2.969 43 I HA 0.788 4.960 4.170 0.003 0.000 0.307 43 I C -3.241 172.837 176.117 -0.066 0.000 1.149 43 I CA -3.037 58.200 61.300 -0.104 0.000 1.008 43 I CB 2.160 40.114 38.000 -0.077 0.000 1.232 43 I HN 0.356 nan 8.210 nan 0.000 0.435 44 P HA 0.250 nan 4.420 nan 0.000 0.275 44 P C -0.865 176.416 177.300 -0.031 0.000 1.227 44 P CA -0.287 62.793 63.100 -0.033 0.000 0.781 44 P CB 0.995 32.685 31.700 -0.017 0.000 0.906 45 A N 4.483 127.286 122.820 -0.029 0.000 2.478 45 A HA 0.376 4.698 4.320 0.003 0.000 0.327 45 A C 0.113 177.680 177.584 -0.029 0.000 1.431 45 A CA -0.519 51.501 52.037 -0.029 0.000 1.014 45 A CB -0.896 18.088 19.000 -0.027 0.000 1.143 45 A HN 0.484 nan 8.150 nan 0.000 0.532 46 L N 2.047 123.252 121.223 -0.031 0.000 2.464 46 L HA 0.297 4.639 4.340 0.003 0.000 0.264 46 L C 1.250 178.094 176.870 -0.043 0.000 1.199 46 L CA -0.316 54.504 54.840 -0.033 0.000 0.818 46 L CB 1.015 43.055 42.059 -0.031 0.000 1.102 46 L HN 0.802 nan 8.230 nan 0.000 0.473 47 S N 0.343 116.014 115.700 -0.049 0.000 2.681 47 S HA 0.192 4.664 4.470 0.003 0.000 0.270 47 S C 0.559 175.094 174.600 -0.107 0.000 1.209 47 S CA -0.774 57.383 58.200 -0.071 0.000 0.988 47 S CB 1.226 64.390 63.200 -0.059 0.000 1.006 47 S HN 0.652 nan 8.310 nan 0.000 0.558 48 Q N 0.210 119.893 119.800 -0.196 0.000 2.170 48 Q HA -0.154 4.188 4.340 0.003 0.000 0.203 48 Q C 1.609 177.494 176.000 -0.192 0.000 0.976 48 Q CA 1.687 57.248 55.803 -0.403 0.000 0.858 48 Q CB -0.314 27.977 28.738 -0.746 0.000 0.907 48 Q HN 0.763 nan 8.270 nan 0.000 0.433 49 E N 0.948 121.090 120.200 -0.097 0.000 2.152 49 E HA -0.130 4.221 4.350 0.003 0.000 0.192 49 E C 1.509 178.109 176.600 -0.000 0.000 0.983 49 E CA 0.770 57.160 56.400 -0.016 0.000 0.818 49 E CB 0.118 29.807 29.700 -0.018 0.000 0.758 49 E HN 0.344 nan 8.360 nan 0.000 0.467 50 E N -0.127 120.061 120.200 -0.020 0.000 2.152 50 E HA -0.102 4.250 4.350 0.003 0.000 0.192 50 E C 1.896 178.490 176.600 -0.010 0.000 0.983 50 E CA 0.613 57.003 56.400 -0.016 0.000 0.818 50 E CB 0.164 29.850 29.700 -0.025 0.000 0.758 50 E HN 0.044 nan 8.360 nan 0.000 0.467 51 V N 2.078 121.993 119.914 0.002 0.000 2.295 51 V HA -0.286 3.836 4.120 0.003 0.000 0.246 51 V C 1.765 177.883 176.094 0.040 0.000 1.049 51 V CA 1.760 64.078 62.300 0.030 0.000 1.024 51 V CB -0.489 31.397 31.823 0.105 0.000 0.648 51 V HN 0.308 nan 8.190 nan 0.000 0.447 52 N N 0.354 119.130 118.700 0.125 0.000 2.149 52 N HA -0.163 4.579 4.740 0.003 0.000 0.188 52 N C 1.511 177.052 175.510 0.052 0.000 1.019 52 N CA 1.596 54.743 53.050 0.160 0.000 0.857 52 N CB -0.521 38.103 38.487 0.228 0.000 0.997 52 N HN 0.490 nan 8.380 nan 0.000 0.426 53 D N 0.818 121.233 120.400 0.025 0.000 2.144 53 D HA -0.046 4.596 4.640 0.003 0.000 0.199 53 D C 1.827 178.108 176.300 -0.032 0.000 0.984 53 D CA 1.055 55.053 54.000 -0.004 0.000 0.834 53 D CB -0.291 40.503 40.800 -0.011 0.000 0.955 53 D HN 0.237 nan 8.370 nan 0.000 0.465 54 A N 0.601 123.394 122.820 -0.045 0.000 1.902 54 A HA -0.123 4.199 4.320 0.003 0.000 0.217 54 A C 2.358 179.892 177.584 -0.083 0.000 1.181 54 A CA 0.929 52.925 52.037 -0.069 0.000 0.623 54 A CB -0.607 18.353 19.000 -0.067 0.000 0.818 54 A HN 0.189 nan 8.150 nan 0.000 0.443 55 I N -1.054 119.450 120.570 -0.110 0.000 2.333 55 I HA -0.186 3.986 4.170 0.003 0.000 0.246 55 I C 2.653 178.722 176.117 -0.080 0.000 1.106 55 I CA 0.810 62.019 61.300 -0.152 0.000 1.411 55 I CB -0.291 37.484 38.000 -0.376 0.000 1.082 55 I HN 0.248 nan 8.210 nan 0.000 0.420 56 Q N 0.801 120.577 119.800 -0.038 0.000 2.096 56 Q HA -0.144 4.198 4.340 0.003 0.000 0.204 56 Q C 2.314 178.301 176.000 -0.022 0.000 0.982 56 Q CA 1.861 57.660 55.803 -0.007 0.000 0.850 56 Q CB -0.882 27.865 28.738 0.015 0.000 0.901 56 Q HN 0.592 nan 8.270 nan 0.000 0.422 57 G N 0.641 109.417 108.800 -0.039 0.000 2.459 57 G HA2 -0.228 3.734 3.960 0.003 0.000 0.217 57 G HA3 -0.228 3.734 3.960 0.003 0.000 0.217 57 G C 1.558 176.421 174.900 -0.061 0.000 1.183 57 G CA 1.527 46.595 45.100 -0.053 0.000 0.776 57 G HN 0.482 nan 8.290 nan 0.000 0.552 58 A N 0.567 123.346 122.820 -0.069 0.000 1.902 58 A HA -0.032 4.289 4.320 0.003 0.000 0.217 58 A C 2.240 179.801 177.584 -0.038 0.000 1.181 58 A CA 2.261 54.256 52.037 -0.070 0.000 0.623 58 A CB -0.440 18.517 19.000 -0.071 0.000 0.818 58 A HN 0.394 nan 8.150 nan 0.000 0.443 59 K N -0.300 120.085 120.400 -0.026 0.000 2.032 59 K HA -0.185 4.136 4.320 0.003 0.000 0.209 59 K C 1.445 178.048 176.600 0.005 0.000 1.048 59 K CA 1.880 58.165 56.287 -0.003 0.000 0.927 59 K CB -0.141 32.361 32.500 0.004 0.000 0.712 59 K HN 0.459 nan 8.250 nan 0.000 0.441 60 D N -0.119 120.279 120.400 -0.003 0.000 2.117 60 D HA -0.112 4.530 4.640 0.003 0.000 0.198 60 D C 1.742 178.047 176.300 0.009 0.000 0.982 60 D CA 1.320 55.321 54.000 0.003 0.000 0.828 60 D CB -0.239 40.557 40.800 -0.005 0.000 0.967 60 D HN 0.317 nan 8.370 nan 0.000 0.464 61 A N 0.850 123.666 122.820 -0.007 0.000 2.015 61 A HA -0.182 4.139 4.320 0.003 0.000 0.219 61 A C 2.104 179.725 177.584 0.061 0.000 1.163 61 A CA 1.107 53.142 52.037 -0.004 0.000 0.646 61 A CB -0.432 18.524 19.000 -0.074 0.000 0.806 61 A HN 0.097 nan 8.150 nan 0.000 0.448 62 Q N 0.330 120.169 119.800 0.065 0.000 2.119 62 Q HA -0.151 4.191 4.340 0.003 0.000 0.201 62 Q C 1.708 177.782 176.000 0.124 0.000 0.972 62 Q CA 1.618 57.500 55.803 0.131 0.000 0.847 62 Q CB -0.168 28.622 28.738 0.088 0.000 0.903 62 Q HN 0.725 nan 8.270 nan 0.000 0.433 63 K N -0.141 120.303 120.400 0.073 0.000 2.211 63 K HA -0.096 4.226 4.320 0.003 0.000 0.204 63 K C 2.028 178.661 176.600 0.055 0.000 1.047 63 K CA 1.018 57.335 56.287 0.050 0.000 0.935 63 K CB 0.080 32.600 32.500 0.032 0.000 0.728 63 K HN 0.266 nan 8.250 nan 0.000 0.452 64 I N -0.826 119.795 120.570 0.084 0.000 2.628 64 I HA -0.135 4.036 4.170 0.003 0.000 0.255 64 I C 2.182 178.387 176.117 0.145 0.000 1.119 64 I CA 0.235 61.589 61.300 0.089 0.000 1.448 64 I CB -0.073 37.975 38.000 0.080 0.000 1.133 64 I HN 0.353 nan 8.210 nan 0.000 0.438 65 W N 3.645 124.923 121.300 -0.036 0.000 2.381 65 W HA -0.228 4.433 4.660 0.003 0.000 0.301 65 W C 2.273 178.768 176.519 -0.040 0.000 1.205 65 W CA 1.628 58.948 57.345 -0.043 0.000 1.285 65 W CB 0.118 29.550 29.460 -0.046 0.000 1.133 65 W HN 0.123 nan 8.180 nan 0.000 0.521 66 K N -0.294 120.098 120.400 -0.013 0.000 2.280 66 K HA -0.195 4.127 4.320 0.003 0.000 0.202 66 K C 1.340 177.845 176.600 -0.159 0.000 1.047 66 K CA 1.429 57.641 56.287 -0.125 0.000 0.942 66 K CB -0.514 31.971 32.500 -0.025 0.000 0.739 66 K HN 0.068 nan 8.250 nan 0.000 0.457 67 I N 1.591 122.091 120.570 -0.117 0.000 3.728 67 I HA 0.064 4.235 4.170 0.003 0.000 0.307 67 I C 0.254 176.282 176.117 -0.149 0.000 1.276 67 I CA -0.038 61.200 61.300 -0.103 0.000 1.285 67 I CB -0.625 37.345 38.000 -0.049 0.000 1.038 67 I HN 0.089 nan 8.210 nan 0.000 0.445 68 R N 2.870 123.227 120.500 -0.239 0.000 2.570 68 R HA 0.136 4.478 4.340 0.003 0.000 0.277 68 R C -2.097 174.011 176.300 -0.320 0.000 1.039 68 R CA -1.452 54.462 56.100 -0.309 0.000 1.065 68 R CB -0.674 29.313 30.300 -0.522 0.000 0.964 68 R HN 0.064 nan 8.270 nan 0.000 0.428 69 P HA -0.013 nan 4.420 nan 0.000 0.271 69 P C 1.010 178.096 177.300 -0.357 0.000 1.216 69 P CA -0.355 62.576 63.100 -0.280 0.000 0.776 69 P CB 0.567 32.102 31.700 -0.274 0.000 0.881 70 I N 3.227 123.663 120.570 -0.223 0.000 2.236 70 I HA -0.312 3.860 4.170 0.003 0.000 0.249 70 I C 2.412 178.432 176.117 -0.163 0.000 1.102 70 I CA 1.820 63.008 61.300 -0.186 0.000 1.365 70 I CB -0.931 37.015 38.000 -0.090 0.000 1.051 70 I HN 0.525 nan 8.210 nan 0.000 0.420 71 H N -0.007 119.007 119.070 -0.093 0.000 2.423 71 H HA -0.085 4.472 4.556 0.003 0.000 0.297 71 H C 1.622 176.914 175.328 -0.061 0.000 1.075 71 H CA 1.487 57.500 56.048 -0.059 0.000 1.342 71 H CB -0.582 29.166 29.762 -0.022 0.000 1.395 71 H HN 0.527 nan 8.280 nan 0.000 0.530 72 E N 1.004 120.900 120.200 -0.507 0.000 2.208 72 E HA -0.059 4.293 4.350 0.003 0.000 0.193 72 E C 2.389 178.893 176.600 -0.160 0.000 0.988 72 E CA 0.377 56.608 56.400 -0.282 0.000 0.828 72 E CB 0.111 29.605 29.700 -0.343 0.000 0.763 72 E HN 0.573 nan 8.360 nan 0.000 0.478 73 R N 0.684 121.025 120.500 -0.265 0.000 2.093 73 R HA -0.058 4.284 4.340 0.003 0.000 0.224 73 R C 2.760 179.029 176.300 -0.051 0.000 1.101 73 R CA 1.217 57.207 56.100 -0.182 0.000 0.979 73 R CB -0.574 29.484 30.300 -0.403 0.000 0.877 73 R HN 0.161 nan 8.270 nan 0.000 0.441 74 V N 0.143 119.971 119.914 -0.145 0.000 2.343 74 V HA -0.221 3.900 4.120 0.003 0.000 0.247 74 V C 1.445 177.280 176.094 -0.431 0.000 1.051 74 V CA 2.043 64.159 62.300 -0.307 0.000 1.036 74 V CB -0.442 31.184 31.823 -0.329 0.000 0.654 74 V HN 0.048 nan 8.190 nan 0.000 0.451 75 D N 0.402 120.718 120.400 -0.139 0.000 2.117 75 D HA -0.131 4.511 4.640 0.003 0.000 0.197 75 D C 2.027 178.398 176.300 0.118 0.000 0.987 75 D CA 1.771 55.814 54.000 0.072 0.000 0.829 75 D CB -0.368 40.530 40.800 0.164 0.000 0.961 75 D HN 0.506 nan 8.370 nan 0.000 0.460 76 L N 0.458 121.752 121.223 0.119 0.000 2.012 76 L HA -0.170 4.172 4.340 0.003 0.000 0.210 76 L C 2.101 179.095 176.870 0.206 0.000 1.073 76 L CA 1.405 56.349 54.840 0.173 0.000 0.748 76 L CB -0.714 41.484 42.059 0.232 0.000 0.891 76 L HN -0.041 nan 8.230 nan 0.000 0.431 77 L N -1.428 119.893 121.223 0.163 0.000 2.012 77 L HA -0.266 4.075 4.340 0.003 0.000 0.210 77 L C 2.438 179.455 176.870 0.245 0.000 1.073 77 L CA 1.765 56.750 54.840 0.242 0.000 0.748 77 L CB -1.148 40.979 42.059 0.113 0.000 0.891 77 L HN 0.264 nan 8.230 nan 0.000 0.431 78 Y N -0.487 119.906 120.300 0.154 0.000 2.114 78 Y HA -0.297 4.255 4.550 0.003 0.000 0.282 78 Y C 2.519 178.489 175.900 0.117 0.000 1.165 78 Y CA 0.943 59.104 58.100 0.102 0.000 1.148 78 Y CB -1.479 37.029 38.460 0.079 0.000 0.972 78 Y HN 0.204 nan 8.280 nan 0.000 0.504 79 A N -0.972 122.038 122.820 0.317 0.000 1.930 79 A HA -0.207 4.114 4.320 0.003 0.000 0.217 79 A C 2.083 179.833 177.584 0.276 0.000 1.175 79 A CA 1.357 53.539 52.037 0.242 0.000 0.627 79 A CB -1.323 17.797 19.000 0.200 0.000 0.815 79 A HN 0.634 nan 8.150 nan 0.000 0.443 80 W N 0.945 122.296 121.300 0.084 0.000 2.358 80 W HA -0.103 4.559 4.660 0.004 0.000 0.303 80 W C 2.404 178.957 176.519 0.058 0.000 1.208 80 W CA 1.549 58.931 57.345 0.060 0.000 1.274 80 W CB -0.647 28.840 29.460 0.044 0.000 1.138 80 W HN 0.355 nan 8.180 nan 0.000 0.515 81 A N 0.298 123.127 122.820 0.015 0.000 1.877 81 A HA -0.209 4.113 4.320 0.003 0.000 0.216 81 A C 1.753 179.309 177.584 -0.048 0.000 1.186 81 A CA 2.141 54.093 52.037 -0.143 0.000 0.620 81 A CB -1.080 17.889 19.000 -0.052 0.000 0.822 81 A HN 0.254 nan 8.150 nan 0.000 0.443 82 D N 0.074 120.496 120.400 0.038 0.000 2.123 82 D HA -0.137 4.505 4.640 0.003 0.000 0.196 82 D C 1.871 178.192 176.300 0.035 0.000 0.992 82 D CA 0.954 54.974 54.000 0.033 0.000 0.833 82 D CB -0.327 40.506 40.800 0.055 0.000 0.954 82 D HN 0.430 nan 8.370 nan 0.000 0.455 83 L N -0.082 121.186 121.223 0.076 0.000 2.056 83 L HA -0.108 4.234 4.340 0.003 0.000 0.207 83 L C 2.431 179.332 176.870 0.051 0.000 1.078 83 L CA 0.599 55.491 54.840 0.086 0.000 0.749 83 L CB -0.249 41.904 42.059 0.158 0.000 0.901 83 L HN 0.080 nan 8.230 nan 0.000 0.433 84 L N -0.629 120.602 121.223 0.013 0.000 2.046 84 L HA -0.229 4.113 4.340 0.003 0.000 0.208 84 L C 2.590 179.432 176.870 -0.046 0.000 1.077 84 L CA 1.275 56.092 54.840 -0.037 0.000 0.747 84 L CB -0.429 41.533 42.059 -0.162 0.000 0.896 84 L HN 0.270 nan 8.230 nan 0.000 0.432 85 E N 0.142 120.310 120.200 -0.055 0.000 2.058 85 E HA -0.303 4.049 4.350 0.003 0.000 0.194 85 E C 2.009 178.592 176.600 -0.027 0.000 0.997 85 E CA 1.741 58.114 56.400 -0.045 0.000 0.801 85 E CB -0.044 29.629 29.700 -0.044 0.000 0.746 85 E HN 0.590 nan 8.360 nan 0.000 0.450 86 E N 0.533 120.725 120.200 -0.014 0.000 2.267 86 E HA -0.201 4.151 4.350 0.003 0.000 0.197 86 E C 1.384 177.977 176.600 -0.010 0.000 0.998 86 E CA 1.048 57.443 56.400 -0.008 0.000 0.830 86 E CB -0.057 29.645 29.700 0.004 0.000 0.751 86 E HN 0.043 nan 8.360 nan 0.000 0.491 87 R N 0.179 120.672 120.500 -0.011 0.000 2.552 87 R HA 0.217 4.558 4.340 0.003 0.000 0.314 87 R C 1.297 177.584 176.300 -0.022 0.000 1.041 87 R CA -0.223 55.868 56.100 -0.014 0.000 1.076 87 R CB 0.351 30.648 30.300 -0.005 0.000 1.290 87 R HN 0.076 nan 8.270 nan 0.000 0.563 88 K N 1.546 121.930 120.400 -0.027 0.000 2.001 88 K HA -0.275 4.047 4.320 0.003 0.000 0.214 88 K C 1.784 178.365 176.600 -0.033 0.000 1.050 88 K CA 2.387 58.654 56.287 -0.033 0.000 0.934 88 K CB 0.023 32.501 32.500 -0.036 0.000 0.718 88 K HN 0.375 nan 8.250 nan 0.000 0.443 89 E N 0.930 121.111 120.200 -0.031 0.000 2.070 89 E HA -0.226 4.126 4.350 0.003 0.000 0.197 89 E C 2.025 178.607 176.600 -0.030 0.000 1.004 89 E CA 1.631 58.013 56.400 -0.031 0.000 0.805 89 E CB -0.523 29.161 29.700 -0.026 0.000 0.744 89 E HN 0.311 nan 8.360 nan 0.000 0.451 90 I N 0.730 121.283 120.570 -0.030 0.000 2.163 90 I HA -0.209 3.963 4.170 0.003 0.000 0.240 90 I C 2.607 178.705 176.117 -0.032 0.000 1.081 90 I CA 1.124 62.403 61.300 -0.035 0.000 1.353 90 I CB -0.222 37.748 38.000 -0.049 0.000 1.054 90 I HN 0.101 nan 8.210 nan 0.000 0.407 91 I N 0.770 121.324 120.570 -0.027 0.000 2.315 91 I HA -0.159 4.012 4.170 0.003 0.000 0.248 91 I C 2.649 178.760 176.117 -0.010 0.000 1.117 91 I CA 1.394 62.687 61.300 -0.012 0.000 1.404 91 I CB -0.766 37.234 38.000 0.001 0.000 1.071 91 I HN 0.243 nan 8.210 nan 0.000 0.419 92 G N 0.446 109.230 108.800 -0.026 0.000 2.440 92 G HA2 -0.320 3.641 3.960 0.003 0.000 0.218 92 G HA3 -0.320 3.641 3.960 0.003 0.000 0.218 92 G C 1.533 176.400 174.900 -0.055 0.000 1.154 92 G CA 1.075 46.150 45.100 -0.043 0.000 0.767 92 G HN 0.443 nan 8.290 nan 0.000 0.552 93 E N -0.274 119.898 120.200 -0.047 0.000 2.106 93 E HA -0.086 4.265 4.350 0.003 0.000 0.192 93 E C 2.306 178.902 176.600 -0.006 0.000 0.984 93 E CA 0.728 57.087 56.400 -0.067 0.000 0.806 93 E CB -0.289 29.400 29.700 -0.019 0.000 0.750 93 E HN 0.277 nan 8.360 nan 0.000 0.458 94 L N 0.830 122.085 121.223 0.053 0.000 2.012 94 L HA -0.153 4.189 4.340 0.003 0.000 0.210 94 L C 2.091 179.020 176.870 0.099 0.000 1.073 94 L CA 1.735 56.642 54.840 0.112 0.000 0.748 94 L CB -0.440 41.669 42.059 0.082 0.000 0.891 94 L HN 0.303 nan 8.230 nan 0.000 0.431 95 I N -0.652 119.943 120.570 0.042 0.000 2.163 95 I HA -0.389 3.783 4.170 0.003 0.000 0.243 95 I C 2.558 178.674 176.117 -0.002 0.000 1.085 95 I CA 2.095 63.408 61.300 0.022 0.000 1.347 95 I CB -0.449 37.537 38.000 -0.023 0.000 1.044 95 I HN 0.394 nan 8.210 nan 0.000 0.408 96 M N -0.612 118.945 119.600 -0.071 0.000 2.159 96 M HA -0.180 4.302 4.480 0.003 0.000 0.263 96 M C 2.099 178.372 176.300 -0.045 0.000 1.063 96 M CA 1.958 57.193 55.300 -0.109 0.000 1.110 96 M CB -1.248 31.236 32.600 -0.193 0.000 1.374 96 M HN 0.156 nan 8.290 nan 0.000 0.411 97 H N 0.110 119.201 119.070 0.035 0.000 2.333 97 H HA -0.028 4.530 4.556 0.003 0.000 0.302 97 H C 2.185 177.549 175.328 0.060 0.000 1.075 97 H CA 1.502 57.577 56.048 0.044 0.000 1.348 97 H CB 0.083 29.869 29.762 0.039 0.000 1.393 97 H HN 0.517 nan 8.280 nan 0.000 0.509 98 E N 0.732 121.051 120.200 0.199 0.000 2.110 98 E HA -0.112 4.240 4.350 0.003 0.000 0.193 98 E C 0.946 177.637 176.600 0.152 0.000 0.988 98 E CA 1.510 58.004 56.400 0.156 0.000 0.804 98 E CB 0.364 30.154 29.700 0.151 0.000 0.745 98 E HN 0.391 nan 8.360 nan 0.000 0.458 99 V N -3.901 116.115 119.914 0.170 0.000 3.111 99 V HA 0.587 4.709 4.120 0.003 0.000 0.343 99 V C 0.192 176.455 176.094 0.282 0.000 1.417 99 V CA 0.011 62.460 62.300 0.249 0.000 1.142 99 V CB 0.095 32.135 31.823 0.362 0.000 1.114 99 V HN 0.138 nan 8.190 nan 0.000 0.520 100 A N 0.545 123.478 122.820 0.187 0.000 2.560 100 A HA -0.271 4.051 4.320 0.003 0.000 0.299 100 A C 0.430 178.165 177.584 0.252 0.000 1.484 100 A CA 1.750 53.893 52.037 0.178 0.000 0.749 100 A CB -1.773 17.320 19.000 0.156 0.000 1.072 100 A HN 1.059 nan 8.150 nan 0.000 0.426 101 K N 0.154 120.620 120.400 0.109 0.000 2.213 101 K HA 0.538 4.860 4.320 0.003 0.000 0.270 101 K C -2.759 173.802 176.600 -0.066 0.000 1.002 101 K CA -2.488 53.767 56.287 -0.054 0.000 0.868 101 K CB 1.173 33.438 32.500 -0.392 0.000 1.093 101 K HN 0.105 nan 8.250 nan 0.000 0.454 102 P HA -0.159 nan 4.420 nan 0.000 0.263 102 P C 0.018 177.270 177.300 -0.080 0.000 1.168 102 P CA 0.398 63.474 63.100 -0.041 0.000 0.759 102 P CB 0.588 32.276 31.700 -0.021 0.000 0.782 103 K N 4.162 124.515 120.400 -0.079 0.000 2.089 103 K HA -0.256 4.065 4.320 0.003 0.000 0.210 103 K C 1.430 177.984 176.600 -0.076 0.000 1.048 103 K CA 1.869 58.102 56.287 -0.090 0.000 0.926 103 K CB -0.058 32.393 32.500 -0.081 0.000 0.714 103 K HN 0.258 nan 8.250 nan 0.000 0.448 104 K N -0.188 120.175 120.400 -0.061 0.000 2.116 104 K HA -0.049 4.273 4.320 0.003 0.000 0.203 104 K C 2.215 178.778 176.600 -0.062 0.000 1.052 104 K CA 1.195 57.450 56.287 -0.054 0.000 0.952 104 K CB 0.010 32.486 32.500 -0.040 0.000 0.729 104 K HN 0.119 nan 8.250 nan 0.000 0.446 105 S N 0.219 115.874 115.700 -0.075 0.000 2.436 105 S HA -0.017 4.455 4.470 0.003 0.000 0.228 105 S C 1.914 176.438 174.600 -0.126 0.000 1.014 105 S CA 0.901 59.044 58.200 -0.094 0.000 0.950 105 S CB 0.003 63.136 63.200 -0.111 0.000 0.784 105 S HN 0.316 nan 8.310 nan 0.000 0.504 106 A N 1.380 124.120 122.820 -0.132 0.000 1.898 106 A HA 0.214 4.536 4.320 0.003 0.000 0.214 106 A C 2.046 179.577 177.584 -0.089 0.000 1.183 106 A CA 1.024 52.980 52.037 -0.134 0.000 0.622 106 A CB -0.612 18.309 19.000 -0.131 0.000 0.824 106 A HN 0.601 nan 8.150 nan 0.000 0.444 107 I N -0.128 120.397 120.570 -0.076 0.000 2.315 107 I HA -0.141 4.031 4.170 0.003 0.000 0.248 107 I C 2.586 178.670 176.117 -0.055 0.000 1.117 107 I CA 0.992 62.257 61.300 -0.059 0.000 1.404 107 I CB -0.452 37.516 38.000 -0.054 0.000 1.071 107 I HN 0.376 nan 8.210 nan 0.000 0.419 108 G N 0.286 109.053 108.800 -0.056 0.000 2.443 108 G HA2 -0.263 3.698 3.960 0.003 0.000 0.219 108 G HA3 -0.263 3.698 3.960 0.003 0.000 0.219 108 G C 1.512 176.385 174.900 -0.046 0.000 1.131 108 G CA 0.668 45.738 45.100 -0.050 0.000 0.775 108 G HN 0.470 nan 8.290 nan 0.000 0.547 109 E N 0.085 120.261 120.200 -0.041 0.000 2.058 109 E HA -0.129 4.223 4.350 0.003 0.000 0.194 109 E C 2.552 179.129 176.600 -0.038 0.000 0.997 109 E CA 1.300 57.691 56.400 -0.015 0.000 0.801 109 E CB -0.095 29.601 29.700 -0.007 0.000 0.746 109 E HN 0.254 nan 8.360 nan 0.000 0.450 110 V N 0.663 120.548 119.914 -0.049 0.000 2.295 110 V HA -0.244 3.878 4.120 0.003 0.000 0.246 110 V C 2.430 178.474 176.094 -0.083 0.000 1.049 110 V CA 1.882 64.143 62.300 -0.064 0.000 1.024 110 V CB -0.561 31.231 31.823 -0.052 0.000 0.648 110 V HN 0.259 nan 8.190 nan 0.000 0.447 111 S N -0.224 115.434 115.700 -0.070 0.000 2.353 111 S HA -0.274 4.198 4.470 0.003 0.000 0.222 111 S C 2.112 176.663 174.600 -0.083 0.000 1.035 111 S CA 2.015 60.173 58.200 -0.071 0.000 1.025 111 S CB -0.460 62.705 63.200 -0.059 0.000 0.902 111 S HN 0.557 nan 8.310 nan 0.000 0.440 112 R N 0.748 121.200 120.500 -0.081 0.000 2.105 112 R HA -0.118 4.223 4.340 0.003 0.000 0.239 112 R C 2.122 178.354 176.300 -0.112 0.000 1.135 112 R CA 1.788 57.832 56.100 -0.093 0.000 0.967 112 R CB -0.638 29.607 30.300 -0.091 0.000 0.861 112 R HN 0.345 nan 8.270 nan 0.000 0.442 113 T N 0.584 115.064 114.554 -0.123 0.000 2.708 113 T HA -0.123 4.228 4.350 0.003 0.000 0.266 113 T C 1.814 176.382 174.700 -0.221 0.000 1.037 113 T CA 1.417 63.416 62.100 -0.169 0.000 1.146 113 T CB -0.317 68.446 68.868 -0.175 0.000 0.865 113 T HN 0.481 nan 8.240 nan 0.000 0.435 114 A N 2.035 124.733 122.820 -0.204 0.000 1.908 114 A HA -0.185 4.137 4.320 0.003 0.000 0.218 114 A C 2.125 179.638 177.584 -0.119 0.000 1.181 114 A CA 1.873 53.791 52.037 -0.199 0.000 0.627 114 A CB -0.710 18.202 19.000 -0.146 0.000 0.818 114 A HN 0.366 nan 8.150 nan 0.000 0.445 115 D N 0.097 120.445 120.400 -0.087 0.000 2.092 115 D HA -0.142 4.500 4.640 0.003 0.000 0.193 115 D C 1.888 178.179 176.300 -0.015 0.000 0.994 115 D CA 1.310 55.285 54.000 -0.041 0.000 0.828 115 D CB -0.451 40.315 40.800 -0.057 0.000 0.963 115 D HN 0.518 nan 8.370 nan 0.000 0.450 116 I N 0.831 121.364 120.570 -0.062 0.000 2.151 116 I HA -0.282 3.890 4.170 0.003 0.000 0.243 116 I C 2.442 178.553 176.117 -0.009 0.000 1.080 116 I CA 0.898 62.170 61.300 -0.045 0.000 1.339 116 I CB -0.213 37.732 38.000 -0.092 0.000 1.039 116 I HN -0.008 nan 8.210 nan 0.000 0.409 117 I N 0.226 120.747 120.570 -0.082 0.000 2.142 117 I HA -0.297 3.875 4.170 0.003 0.000 0.240 117 I C 2.770 178.908 176.117 0.035 0.000 1.078 117 I CA 1.463 62.716 61.300 -0.079 0.000 1.343 117 I CB -0.422 37.408 38.000 -0.283 0.000 1.046 117 I HN 0.152 nan 8.210 nan 0.000 0.405 118 R N -0.473 120.072 120.500 0.075 0.000 2.081 118 R HA -0.219 4.123 4.340 0.003 0.000 0.235 118 R C 2.351 178.750 176.300 0.165 0.000 1.131 118 R CA 1.713 57.925 56.100 0.187 0.000 0.960 118 R CB -0.621 29.777 30.300 0.163 0.000 0.856 118 R HN 0.428 nan 8.270 nan 0.000 0.436 119 H N -0.091 119.006 119.070 0.046 0.000 2.423 119 H HA -0.035 4.523 4.556 0.003 0.000 0.297 119 H C 1.718 177.071 175.328 0.042 0.000 1.075 119 H CA 1.837 57.905 56.048 0.034 0.000 1.342 119 H CB 0.236 29.999 29.762 0.003 0.000 1.395 119 H HN 0.037 nan 8.280 nan 0.000 0.530 120 T N -0.241 114.411 114.554 0.163 0.000 2.857 120 T HA -0.074 4.278 4.350 0.003 0.000 0.266 120 T C 2.183 176.911 174.700 0.047 0.000 1.048 120 T CA 0.891 63.057 62.100 0.110 0.000 1.139 120 T CB -0.453 68.472 68.868 0.095 0.000 0.874 120 T HN 0.520 nan 8.240 nan 0.000 0.455 121 A N 2.220 125.052 122.820 0.019 0.000 1.858 121 A HA -0.173 4.148 4.320 0.003 0.000 0.216 121 A C 2.098 179.656 177.584 -0.043 0.000 1.190 121 A CA 1.916 53.909 52.037 -0.073 0.000 0.617 121 A CB -0.828 18.033 19.000 -0.231 0.000 0.827 121 A HN 0.348 nan 8.150 nan 0.000 0.443 122 D N -0.171 120.238 120.400 0.016 0.000 2.133 122 D HA -0.139 4.503 4.640 0.003 0.000 0.195 122 D C 1.919 178.190 176.300 -0.050 0.000 0.997 122 D CA 1.388 55.385 54.000 -0.004 0.000 0.840 122 D CB -0.309 40.445 40.800 -0.076 0.000 0.947 122 D HN 0.463 nan 8.370 nan 0.000 0.452 123 E N 0.346 120.507 120.200 -0.066 0.000 2.152 123 E HA -0.039 4.313 4.350 0.003 0.000 0.192 123 E C 2.087 178.689 176.600 0.003 0.000 0.983 123 E CA 0.670 57.056 56.400 -0.025 0.000 0.818 123 E CB -0.166 29.552 29.700 0.031 0.000 0.758 123 E HN 0.221 nan 8.360 nan 0.000 0.467 124 A N 1.116 123.937 122.820 0.003 0.000 1.972 124 A HA -0.145 4.177 4.320 0.003 0.000 0.219 124 A C 2.194 179.772 177.584 -0.010 0.000 1.169 124 A CA 0.895 52.931 52.037 -0.001 0.000 0.635 124 A CB -0.448 18.547 19.000 -0.008 0.000 0.810 124 A HN 0.194 nan 8.150 nan 0.000 0.446 125 L N 0.428 121.644 121.223 -0.011 0.000 2.141 125 L HA -0.082 4.259 4.340 0.003 0.000 0.209 125 L C 2.168 179.039 176.870 0.002 0.000 1.094 125 L CA 1.872 56.711 54.840 -0.002 0.000 0.763 125 L CB -0.300 41.767 42.059 0.014 0.000 0.908 125 L HN 0.554 nan 8.230 nan 0.000 0.437 126 R N -0.942 119.558 120.500 0.001 0.000 2.515 126 R HA 0.232 4.574 4.340 0.003 0.000 0.294 126 R C -0.257 176.047 176.300 0.007 0.000 1.021 126 R CA -0.282 55.820 56.100 0.003 0.000 1.081 126 R CB -0.574 29.726 30.300 0.001 0.000 1.263 126 R HN 0.211 nan 8.270 nan 0.000 0.557 127 L N 2.629 123.856 121.223 0.007 0.000 2.369 127 L HA 0.196 4.538 4.340 0.003 0.000 0.279 127 L C -0.166 176.707 176.870 0.005 0.000 1.108 127 L CA -0.054 54.791 54.840 0.009 0.000 0.852 127 L CB 0.400 42.465 42.059 0.009 0.000 1.169 127 L HN 0.201 nan 8.230 nan 0.000 0.452 128 N N 2.153 120.857 118.700 0.007 0.000 2.384 128 N HA 0.439 5.181 4.740 0.003 0.000 0.301 128 N C 0.016 175.529 175.510 0.005 0.000 1.133 128 N CA -0.471 52.582 53.050 0.005 0.000 0.853 128 N CB 2.072 40.563 38.487 0.006 0.000 1.241 128 N HN 0.596 nan 8.380 nan 0.000 0.502 129 G N -0.228 108.574 108.800 0.003 0.000 2.588 129 G HA2 0.362 4.324 3.960 0.003 0.000 0.281 129 G HA3 0.362 4.324 3.960 0.003 0.000 0.281 129 G C -0.459 174.443 174.900 0.004 0.000 1.236 129 G CA -0.339 44.763 45.100 0.002 0.000 0.969 129 G HN 0.671 nan 8.290 nan 0.000 0.504 130 E N -1.522 118.680 120.200 0.004 0.000 2.312 130 E HA 0.574 4.925 4.350 0.003 0.000 0.267 130 E C -0.903 175.699 176.600 0.005 0.000 0.894 130 E CA -0.939 55.465 56.400 0.006 0.000 0.773 130 E CB 1.850 31.554 29.700 0.008 0.000 1.241 130 E HN 0.517 nan 8.360 nan 0.000 0.432 131 T N 0.060 114.617 114.554 0.006 0.000 2.888 131 T HA 0.667 5.019 4.350 0.003 0.000 0.284 131 T C -0.339 174.367 174.700 0.009 0.000 1.017 131 T CA -0.873 61.231 62.100 0.006 0.000 1.022 131 T CB 0.710 69.581 68.868 0.005 0.000 1.013 131 T HN 0.436 nan 8.240 nan 0.000 0.465 132 L N 2.191 123.419 121.223 0.009 0.000 2.438 132 L HA 0.538 4.880 4.340 0.003 0.000 0.270 132 L C -0.217 176.661 176.870 0.015 0.000 0.972 132 L CA -1.232 53.616 54.840 0.014 0.000 0.831 132 L CB 2.291 44.356 42.059 0.011 0.000 1.273 132 L HN 0.511 nan 8.230 nan 0.000 0.405 133 K N 1.379 121.792 120.400 0.022 0.000 2.174 133 K HA 0.292 4.614 4.320 0.003 0.000 0.275 133 K C 1.022 177.643 176.600 0.034 0.000 1.015 133 K CA -0.157 56.144 56.287 0.024 0.000 0.933 133 K CB 1.833 34.348 32.500 0.025 0.000 1.025 133 K HN 0.799 nan 8.250 nan 0.000 0.463 134 G N 2.186 111.004 108.800 0.029 0.000 2.450 134 G HA2 -0.255 3.707 3.960 0.003 0.000 0.220 134 G HA3 -0.255 3.707 3.960 0.003 0.000 0.220 134 G C 0.759 175.705 174.900 0.077 0.000 1.130 134 G CA 0.818 45.941 45.100 0.039 0.000 0.760 134 G HN 0.720 nan 8.290 nan 0.000 0.557 135 D N 0.403 120.841 120.400 0.062 0.000 2.363 135 D HA -0.060 4.582 4.640 0.003 0.000 0.226 135 D C 1.730 178.075 176.300 0.074 0.000 1.020 135 D CA 0.200 54.240 54.000 0.067 0.000 0.892 135 D CB -0.453 40.371 40.800 0.041 0.000 0.900 135 D HN 0.382 nan 8.370 nan 0.000 0.531 136 Q N -0.675 119.179 119.800 0.090 0.000 2.466 136 Q HA 0.132 4.474 4.340 0.003 0.000 0.210 136 Q C -0.611 175.483 176.000 0.156 0.000 0.961 136 Q CA 0.097 55.955 55.803 0.091 0.000 0.953 136 Q CB 0.002 28.786 28.738 0.078 0.000 1.011 136 Q HN 0.307 nan 8.270 nan 0.000 0.516 137 F N 0.304 120.254 119.950 -0.000 0.000 2.591 137 F HA 0.277 4.806 4.527 0.003 0.000 0.309 137 F C -0.620 175.179 175.800 -0.001 0.000 1.098 137 F CA -1.343 56.656 58.000 -0.001 0.000 0.937 137 F CB 1.276 40.276 39.000 -0.000 0.000 1.250 137 F HN -0.367 nan 8.300 nan 0.000 0.447 138 K N 4.268 124.470 120.400 -0.329 0.000 2.504 138 K HA 0.350 4.671 4.320 0.003 0.000 0.278 138 K C 0.712 177.379 176.600 0.111 0.000 1.025 138 K CA 1.554 57.754 56.287 -0.146 0.000 1.093 138 K CB -0.212 32.121 32.500 -0.278 0.000 0.873 138 K HN 1.056 nan 8.250 nan 0.000 0.483 139 G N 3.336 112.188 108.800 0.086 0.000 2.596 139 G HA2 -0.318 3.644 3.960 0.003 0.000 0.258 139 G HA3 -0.318 3.644 3.960 0.003 0.000 0.258 139 G C 0.928 175.898 174.900 0.117 0.000 1.207 139 G CA 0.256 45.424 45.100 0.114 0.000 0.954 139 G HN 1.350 nan 8.290 nan 0.000 0.551 140 G N -0.819 108.063 108.800 0.137 0.000 3.678 140 G HA2 -0.164 3.798 3.960 0.003 0.000 0.256 140 G HA3 -0.164 3.798 3.960 0.003 0.000 0.256 140 G C 1.825 176.760 174.900 0.059 0.000 1.999 140 G CA 3.363 48.521 45.100 0.096 0.000 2.210 140 G HN 2.561 nan 8.290 nan 0.000 0.878 141 S N -1.801 113.933 115.700 0.056 0.000 2.829 141 S HA -0.265 4.207 4.470 0.003 0.000 0.267 141 S C 1.196 175.812 174.600 0.026 0.000 1.293 141 S CA 2.568 60.789 58.200 0.036 0.000 1.375 141 S CB -1.674 61.545 63.200 0.032 0.000 1.700 141 S HN 2.409 nan 8.310 nan 0.000 0.668 142 S N 0.212 115.927 115.700 0.025 0.000 4.185 142 S HA 0.568 5.039 4.470 0.003 0.000 0.278 142 S C -0.622 173.986 174.600 0.015 0.000 1.080 142 S CA -0.729 57.482 58.200 0.017 0.000 1.356 142 S CB 0.696 63.905 63.200 0.015 0.000 1.483 142 S HN 0.237 nan 8.310 nan 0.000 0.715 143 K N 0.829 121.236 120.400 0.011 0.000 2.832 143 K HA 0.405 4.726 4.320 0.003 0.000 0.211 143 K C -0.456 176.148 176.600 0.006 0.000 1.112 143 K CA -0.287 56.005 56.287 0.008 0.000 1.108 143 K CB 0.324 32.828 32.500 0.006 0.000 0.899 143 K HN 0.310 nan 8.250 nan 0.000 0.464 144 K N 2.634 123.039 120.400 0.008 0.000 2.211 144 K HA 0.344 4.666 4.320 0.003 0.000 0.275 144 K C -0.726 175.877 176.600 0.005 0.000 1.024 144 K CA -0.706 55.584 56.287 0.004 0.000 0.887 144 K CB 0.665 33.166 32.500 0.003 0.000 1.084 144 K HN 0.367 nan 8.250 nan 0.000 0.463 145 I N 0.939 121.510 120.570 0.002 0.000 2.534 145 I HA 0.540 4.712 4.170 0.003 0.000 0.288 145 I C -0.975 175.141 176.117 -0.002 0.000 1.077 145 I CA -0.874 60.427 61.300 0.002 0.000 1.051 145 I CB 2.159 40.161 38.000 0.003 0.000 1.234 145 I HN 0.552 nan 8.210 nan 0.000 0.425 146 A N 6.992 129.811 122.820 -0.003 0.000 2.289 146 A HA 0.768 5.090 4.320 0.003 0.000 0.298 146 A C -0.763 176.819 177.584 -0.003 0.000 1.208 146 A CA -0.454 51.580 52.037 -0.006 0.000 0.845 146 A CB 0.676 19.670 19.000 -0.010 0.000 1.125 146 A HN 0.701 nan 8.150 nan 0.000 0.517 147 L N 3.401 124.622 121.223 -0.004 0.000 2.277 147 L HA 0.371 4.713 4.340 0.003 0.000 0.284 147 L C -0.361 176.506 176.870 -0.004 0.000 1.028 147 L CA -0.026 54.812 54.840 -0.003 0.000 0.835 147 L CB 1.499 43.555 42.059 -0.004 0.000 1.215 147 L HN 0.394 nan 8.230 nan 0.000 0.425 148 V N 3.310 123.223 119.914 -0.003 0.000 2.318 148 V HA 0.410 4.531 4.120 0.003 0.000 0.271 148 V C 0.162 176.255 176.094 -0.002 0.000 1.030 148 V CA -0.470 61.829 62.300 -0.003 0.000 0.844 148 V CB 1.012 32.834 31.823 -0.001 0.000 1.015 148 V HN 0.677 nan 8.190 nan 0.000 0.460 149 E N 3.041 123.239 120.200 -0.004 0.000 2.396 149 E HA 0.718 5.070 4.350 0.003 0.000 0.251 149 E C -0.437 176.161 176.600 -0.004 0.000 0.949 149 E CA -0.965 55.432 56.400 -0.005 0.000 0.834 149 E CB 1.434 31.129 29.700 -0.008 0.000 1.309 149 E HN 0.515 nan 8.360 nan 0.000 0.405 150 R N 0.369 120.866 120.500 -0.005 0.000 2.562 150 R HA 0.445 4.787 4.340 0.003 0.000 0.298 150 R C -1.349 174.947 176.300 -0.007 0.000 0.961 150 R CA -0.536 55.563 56.100 -0.003 0.000 0.881 150 R CB 1.343 31.644 30.300 0.001 0.000 1.159 150 R HN 0.354 nan 8.270 nan 0.000 0.450 151 E N 4.813 125.012 120.200 -0.002 0.000 2.234 151 E HA 0.416 4.768 4.350 0.003 0.000 0.266 151 E C -2.508 174.095 176.600 0.006 0.000 0.877 151 E CA -2.566 53.832 56.400 -0.004 0.000 0.758 151 E CB 1.634 31.333 29.700 -0.002 0.000 1.170 151 E HN 0.229 nan 8.360 nan 0.000 0.415 152 P HA 0.012 nan 4.420 nan 0.000 0.268 152 P C 0.387 177.704 177.300 0.029 0.000 1.205 152 P CA 0.173 63.288 63.100 0.024 0.000 0.771 152 P CB 0.890 32.609 31.700 0.032 0.000 0.858 153 L N 1.366 122.610 121.223 0.036 0.000 2.156 153 L HA 0.092 4.434 4.340 0.003 0.000 0.208 153 L C 1.702 178.593 176.870 0.035 0.000 1.095 153 L CA 1.749 56.609 54.840 0.033 0.000 0.770 153 L CB -0.742 41.339 42.059 0.036 0.000 0.914 153 L HN 0.742 nan 8.230 nan 0.000 0.439 154 G N -1.191 107.636 108.800 0.044 0.000 2.249 154 G HA2 -0.094 3.868 3.960 0.003 0.000 0.089 154 G HA3 -0.094 3.868 3.960 0.003 0.000 0.089 154 G C -1.033 173.895 174.900 0.047 0.000 1.206 154 G CA -0.388 44.738 45.100 0.044 0.000 1.190 154 G HN -0.230 nan 8.290 nan 0.000 0.454 155 V N 1.290 121.223 119.914 0.032 0.000 2.461 155 V HA 0.564 4.685 4.120 0.003 0.000 0.275 155 V C 0.425 176.537 176.094 0.029 0.000 1.047 155 V CA -0.488 61.825 62.300 0.021 0.000 0.955 155 V CB 1.203 33.023 31.823 -0.004 0.000 0.988 155 V HN 0.656 nan 8.190 nan 0.000 0.471 156 V N 6.181 126.117 119.914 0.037 0.000 2.394 156 V HA 0.362 4.484 4.120 0.003 0.000 0.282 156 V C -0.191 175.939 176.094 0.060 0.000 1.031 156 V CA -0.587 61.745 62.300 0.054 0.000 0.881 156 V CB 1.624 33.486 31.823 0.066 0.000 0.982 156 V HN 0.665 nan 8.190 nan 0.000 0.451 157 L N 5.706 126.971 121.223 0.070 0.000 2.260 157 L HA 0.751 5.092 4.340 0.003 0.000 0.289 157 L C 0.327 177.282 176.870 0.142 0.000 1.057 157 L CA 0.007 54.901 54.840 0.091 0.000 0.811 157 L CB 0.700 42.801 42.059 0.071 0.000 1.184 157 L HN 0.727 nan 8.230 nan 0.000 0.429 158 A N 6.871 129.807 122.820 0.193 0.000 2.271 158 A HA 0.746 5.067 4.320 0.003 0.000 0.317 158 A C -0.650 177.124 177.584 0.316 0.000 1.245 158 A CA -0.412 51.773 52.037 0.246 0.000 0.857 158 A CB 0.222 19.367 19.000 0.242 0.000 1.175 158 A HN 0.689 nan 8.150 nan 0.000 0.512 159 I N 2.996 123.734 120.570 0.281 0.000 2.382 159 I HA 0.307 4.478 4.170 0.003 0.000 0.285 159 I C 0.389 176.610 176.117 0.173 0.000 1.007 159 I CA -0.163 61.305 61.300 0.279 0.000 1.142 159 I CB 1.989 40.249 38.000 0.432 0.000 1.289 159 I HN 0.672 nan 8.210 nan 0.000 0.453 160 S N 6.908 122.732 115.700 0.206 0.000 2.638 160 S HA 0.746 5.218 4.470 0.003 0.000 0.298 160 S C -2.633 172.013 174.600 0.077 0.000 1.111 160 S CA -1.417 56.871 58.200 0.147 0.000 1.027 160 S CB 1.818 65.205 63.200 0.312 0.000 1.064 160 S HN 0.309 nan 8.310 nan 0.000 0.525 161 P HA 0.344 nan 4.420 nan 0.000 0.287 161 P C 0.584 177.961 177.300 0.128 0.000 1.296 161 P CA -0.899 62.219 63.100 0.030 0.000 0.811 161 P CB 0.406 32.069 31.700 -0.061 0.000 1.211 162 F N 0.830 120.850 119.950 0.117 0.000 2.206 162 F HA -0.070 4.459 4.527 0.003 0.000 0.298 162 F C 1.630 177.521 175.800 0.153 0.000 1.090 162 F CA 1.452 59.531 58.000 0.131 0.000 1.323 162 F CB -1.836 37.237 39.000 0.121 0.000 1.028 162 F HN 0.136 nan 8.300 nan 0.000 0.492 163 N N -0.242 118.106 118.700 -0.588 0.000 2.331 163 N HA -0.177 4.565 4.740 0.003 0.000 0.180 163 N C -0.410 174.803 175.510 -0.496 0.000 1.019 163 N CA 1.115 53.902 53.050 -0.439 0.000 0.881 163 N CB -0.902 37.322 38.487 -0.438 0.000 0.972 163 N HN 0.527 nan 8.380 nan 0.000 0.435 164 Y N 0.223 120.467 120.300 -0.094 0.000 2.535 164 Y HA 0.393 4.945 4.550 0.002 0.000 0.351 164 Y C -1.811 174.084 175.900 -0.009 0.000 1.050 164 Y CA -1.911 56.143 58.100 -0.076 0.000 1.168 164 Y CB 1.821 40.220 38.460 -0.101 0.000 1.116 164 Y HN 0.010 nan 8.280 nan 0.000 0.654 165 P HA -0.095 nan 4.420 nan 0.000 0.226 165 P C 0.975 178.384 177.300 0.181 0.000 1.153 165 P CA 1.132 64.335 63.100 0.172 0.000 0.777 165 P CB 0.927 32.726 31.700 0.164 0.000 0.794 166 V N -0.222 119.768 119.914 0.127 0.000 2.854 166 V HA 0.012 4.134 4.120 0.003 0.000 0.236 166 V C 2.540 178.659 176.094 0.041 0.000 1.157 166 V CA 0.959 63.313 62.300 0.090 0.000 1.187 166 V CB -0.970 30.890 31.823 0.062 0.000 0.949 166 V HN 0.092 nan 8.190 nan 0.000 0.488 167 N N 1.320 120.051 118.700 0.051 0.000 2.036 167 N HA -0.170 4.572 4.740 0.003 0.000 0.195 167 N C 1.627 177.119 175.510 -0.031 0.000 1.037 167 N CA 2.093 55.138 53.050 -0.009 0.000 0.855 167 N CB -0.330 38.161 38.487 0.006 0.000 1.033 167 N HN 0.440 nan 8.380 nan 0.000 0.423 168 L N -0.139 121.095 121.223 0.020 0.000 2.492 168 L HA 0.135 4.476 4.340 0.003 0.000 0.223 168 L C 2.328 179.218 176.870 0.033 0.000 1.132 168 L CA 0.462 55.300 54.840 -0.003 0.000 0.850 168 L CB -0.338 41.724 42.059 0.005 0.000 0.966 168 L HN 0.179 nan 8.230 nan 0.000 0.454 169 A N 0.568 123.418 122.820 0.050 0.000 1.840 169 A HA -0.054 4.267 4.320 0.003 0.000 0.214 169 A C 2.525 180.046 177.584 -0.106 0.000 1.198 169 A CA 1.423 53.438 52.037 -0.037 0.000 0.608 169 A CB -0.595 18.361 19.000 -0.073 0.000 0.839 169 A HN 0.317 nan 8.150 nan 0.000 0.443 170 A N -0.229 122.571 122.820 -0.034 0.000 2.019 170 A HA 0.225 4.547 4.320 0.003 0.000 0.219 170 A C 2.328 179.925 177.584 0.022 0.000 1.164 170 A CA 1.767 53.829 52.037 0.043 0.000 0.644 170 A CB -0.835 18.090 19.000 -0.125 0.000 0.805 170 A HN 1.080 nan 8.150 nan 0.000 0.449 171 A N -0.766 122.043 122.820 -0.018 0.000 2.172 171 A HA -0.056 4.266 4.320 0.003 0.000 0.216 171 A C 2.006 179.610 177.584 0.032 0.000 1.154 171 A CA 1.620 53.652 52.037 -0.008 0.000 0.701 171 A CB -0.219 18.753 19.000 -0.045 0.000 0.789 171 A HN 0.565 nan 8.150 nan 0.000 0.465 172 K N -1.022 119.402 120.400 0.040 0.000 2.262 172 K HA 0.284 4.606 4.320 0.003 0.000 0.200 172 K C 1.560 178.200 176.600 0.068 0.000 1.058 172 K CA 0.563 56.887 56.287 0.061 0.000 0.974 172 K CB -0.019 32.523 32.500 0.070 0.000 0.910 172 K HN 0.421 nan 8.250 nan 0.000 0.484 173 I N 1.356 121.959 120.570 0.055 0.000 2.252 173 I HA -0.210 3.962 4.170 0.003 0.000 0.245 173 I C 2.458 178.659 176.117 0.140 0.000 1.102 173 I CA 1.076 62.410 61.300 0.057 0.000 1.385 173 I CB -0.259 37.733 38.000 -0.014 0.000 1.064 173 I HN 0.103 nan 8.210 nan 0.000 0.414 174 A N 1.602 124.558 122.820 0.226 0.000 1.898 174 A HA -0.075 4.246 4.320 0.003 0.000 0.216 174 A C 0.052 177.739 177.584 0.171 0.000 1.181 174 A CA 1.560 53.766 52.037 0.281 0.000 0.620 174 A CB -1.886 17.254 19.000 0.233 0.000 0.819 174 A HN 0.286 nan 8.150 nan 0.000 0.442 175 P HA -0.032 nan 4.420 nan 0.000 0.220 175 P C 1.568 178.929 177.300 0.101 0.000 1.152 175 P CA 1.674 64.835 63.100 0.101 0.000 0.812 175 P CB -0.082 31.670 31.700 0.087 0.000 0.792 176 A N 0.725 123.607 122.820 0.104 0.000 1.858 176 A HA -0.126 4.196 4.320 0.003 0.000 0.216 176 A C 2.432 180.105 177.584 0.147 0.000 1.190 176 A CA 1.385 53.484 52.037 0.104 0.000 0.617 176 A CB -1.595 17.456 19.000 0.085 0.000 0.827 176 A HN 0.091 nan 8.150 nan 0.000 0.443 177 L N -0.850 120.473 121.223 0.167 0.000 2.046 177 L HA -0.125 4.217 4.340 0.003 0.000 0.208 177 L C 2.515 179.624 176.870 0.399 0.000 1.077 177 L CA 1.190 56.213 54.840 0.305 0.000 0.747 177 L CB -0.597 41.563 42.059 0.167 0.000 0.896 177 L HN 0.318 nan 8.230 nan 0.000 0.432 178 V N 0.180 120.221 119.914 0.212 0.000 2.626 178 V HA -0.192 3.930 4.120 0.003 0.000 0.252 178 V C 2.362 178.464 176.094 0.012 0.000 1.067 178 V CA 2.169 64.533 62.300 0.106 0.000 1.081 178 V CB -0.280 31.581 31.823 0.064 0.000 0.686 178 V HN 0.685 nan 8.190 nan 0.000 0.468 179 T N -3.020 111.561 114.554 0.044 0.000 3.188 179 T HA 0.355 4.707 4.350 0.003 0.000 0.250 179 T C 1.347 176.038 174.700 -0.015 0.000 1.077 179 T CA 0.691 62.793 62.100 0.003 0.000 0.967 179 T CB 0.377 69.264 68.868 0.030 0.000 1.006 179 T HN 1.063 nan 8.240 nan 0.000 0.552 180 G N 1.330 110.119 108.800 -0.018 0.000 2.175 180 G HA2 -0.227 3.734 3.960 0.003 0.000 0.244 180 G HA3 -0.227 3.734 3.960 0.003 0.000 0.244 180 G C -0.020 174.980 174.900 0.166 0.000 0.982 180 G CA -0.304 44.770 45.100 -0.043 0.000 0.641 180 G HN 0.609 nan 8.290 nan 0.000 0.527 181 N N 0.871 119.690 118.700 0.199 0.000 2.445 181 N HA 0.499 5.240 4.740 0.003 0.000 0.264 181 N C 0.531 176.173 175.510 0.220 0.000 1.227 181 N CA 0.796 53.953 53.050 0.179 0.000 0.963 181 N CB 0.902 39.456 38.487 0.112 0.000 1.188 181 N HN 0.498 nan 8.380 nan 0.000 0.491 182 T N -2.755 111.858 114.554 0.099 0.000 2.952 182 T HA 0.584 4.935 4.350 0.003 0.000 0.286 182 T C -0.208 174.482 174.700 -0.017 0.000 1.024 182 T CA -0.735 61.355 62.100 -0.017 0.000 1.029 182 T CB 1.298 70.129 68.868 -0.062 0.000 1.094 182 T HN 0.105 nan 8.240 nan 0.000 0.515 183 V N 1.568 121.446 119.914 -0.060 0.000 2.531 183 V HA 0.457 4.578 4.120 0.003 0.000 0.301 183 V C -0.428 175.665 176.094 -0.002 0.000 1.034 183 V CA -0.874 61.418 62.300 -0.013 0.000 0.865 183 V CB 1.970 33.790 31.823 -0.005 0.000 0.995 183 V HN 0.886 nan 8.190 nan 0.000 0.424 184 V N 5.936 125.869 119.914 0.031 0.000 2.348 184 V HA 0.369 4.491 4.120 0.003 0.000 0.270 184 V C -0.495 175.682 176.094 0.139 0.000 1.037 184 V CA -0.347 61.977 62.300 0.041 0.000 0.872 184 V CB 0.992 32.808 31.823 -0.011 0.000 1.002 184 V HN 0.681 nan 8.190 nan 0.000 0.464 185 F N 6.291 126.234 119.950 -0.011 0.000 2.388 185 F HA 0.530 5.059 4.527 0.003 0.000 0.358 185 F C -0.072 175.755 175.800 0.044 0.000 1.122 185 F CA -1.094 56.921 58.000 0.025 0.000 1.056 185 F CB 1.082 40.096 39.000 0.024 0.000 1.155 185 F HN 0.330 nan 8.300 nan 0.000 0.461 186 K N 9.411 129.649 120.400 -0.271 0.000 2.414 186 K HA 0.387 4.709 4.320 0.003 0.000 0.251 186 K C -3.047 173.315 176.600 -0.396 0.000 1.037 186 K CA -1.998 54.088 56.287 -0.334 0.000 0.980 186 K CB 1.172 33.638 32.500 -0.057 0.000 1.280 186 K HN 0.379 nan 8.250 nan 0.000 0.451 187 P HA 0.136 nan 4.420 nan 0.000 0.281 187 P C -0.613 176.657 177.300 -0.050 0.000 1.249 187 P CA -0.499 62.439 63.100 -0.270 0.000 0.810 187 P CB 0.923 32.467 31.700 -0.260 0.000 1.008 188 A N 2.318 125.182 122.820 0.072 0.000 2.567 188 A HA 0.056 4.378 4.320 0.003 0.000 0.240 188 A C 1.658 179.286 177.584 0.074 0.000 1.053 188 A CA 0.569 52.669 52.037 0.106 0.000 0.755 188 A CB -1.041 18.072 19.000 0.188 0.000 0.978 188 A HN 0.611 nan 8.150 nan 0.000 0.507 189 T N 1.465 116.049 114.554 0.050 0.000 2.635 189 T HA -0.183 4.169 4.350 0.003 0.000 0.267 189 T C 1.171 175.900 174.700 0.049 0.000 1.040 189 T CA 2.064 64.182 62.100 0.029 0.000 1.156 189 T CB -0.190 68.685 68.868 0.013 0.000 0.863 189 T HN 0.731 nan 8.240 nan 0.000 0.430 190 Q N 0.959 120.797 119.800 0.063 0.000 2.381 190 Q HA 0.433 4.775 4.340 0.003 0.000 0.243 190 Q C 0.698 176.795 176.000 0.163 0.000 1.154 190 Q CA 0.502 56.353 55.803 0.080 0.000 0.899 190 Q CB -0.170 28.577 28.738 0.016 0.000 1.396 190 Q HN 0.511 nan 8.270 nan 0.000 0.485 191 G N 1.713 110.605 108.800 0.154 0.000 2.273 191 G HA2 -0.184 3.777 3.960 0.003 0.000 0.162 191 G HA3 -0.184 3.777 3.960 0.003 0.000 0.162 191 G C 0.998 176.000 174.900 0.171 0.000 1.006 191 G CA 0.180 45.390 45.100 0.184 0.000 0.704 191 G HN 0.503 nan 8.290 nan 0.000 0.487 192 S N 0.200 115.976 115.700 0.127 0.000 2.387 192 S HA 0.112 4.583 4.470 0.003 0.000 0.226 192 S C 2.434 177.125 174.600 0.152 0.000 1.026 192 S CA 1.292 59.556 58.200 0.106 0.000 0.972 192 S CB -0.184 63.036 63.200 0.034 0.000 0.814 192 S HN 0.455 nan 8.310 nan 0.000 0.477 193 L N 1.045 122.363 121.223 0.157 0.000 2.017 193 L HA -0.119 4.223 4.340 0.003 0.000 0.208 193 L C 2.570 179.634 176.870 0.325 0.000 1.073 193 L CA 1.133 56.133 54.840 0.266 0.000 0.745 193 L CB -0.852 41.383 42.059 0.292 0.000 0.894 193 L HN 0.233 nan 8.230 nan 0.000 0.432 194 S N 0.303 116.145 115.700 0.237 0.000 2.359 194 S HA -0.160 4.312 4.470 0.003 0.000 0.224 194 S C 2.091 176.835 174.600 0.240 0.000 1.035 194 S CA 1.301 59.621 58.200 0.199 0.000 1.018 194 S CB -0.884 62.410 63.200 0.157 0.000 0.876 194 S HN 0.616 nan 8.310 nan 0.000 0.448 195 G N 1.800 110.775 108.800 0.292 0.000 2.459 195 G HA2 -0.195 3.767 3.960 0.003 0.000 0.217 195 G HA3 -0.195 3.767 3.960 0.003 0.000 0.217 195 G C 1.342 176.513 174.900 0.452 0.000 1.183 195 G CA 0.953 46.312 45.100 0.432 0.000 0.776 195 G HN 0.505 nan 8.290 nan 0.000 0.552 196 I N 0.225 121.025 120.570 0.384 0.000 2.361 196 I HA -0.118 4.054 4.170 0.003 0.000 0.251 196 I C 2.743 179.056 176.117 0.326 0.000 1.133 196 I CA 0.863 62.400 61.300 0.396 0.000 1.413 196 I CB -0.057 38.146 38.000 0.337 0.000 1.073 196 I HN 0.005 nan 8.210 nan 0.000 0.424 197 K N 0.416 120.973 120.400 0.261 0.000 2.057 197 K HA -0.163 4.159 4.320 0.003 0.000 0.206 197 K C 2.085 178.791 176.600 0.176 0.000 1.050 197 K CA 1.392 57.756 56.287 0.129 0.000 0.935 197 K CB -0.445 32.080 32.500 0.042 0.000 0.715 197 K HN 0.361 nan 8.250 nan 0.000 0.439 198 M N 1.025 120.765 119.600 0.234 0.000 2.106 198 M HA -0.182 4.300 4.480 0.003 0.000 0.259 198 M C 1.818 178.358 176.300 0.400 0.000 1.068 198 M CA 1.626 57.116 55.300 0.316 0.000 1.100 198 M CB -0.014 32.757 32.600 0.284 0.000 1.351 198 M HN -0.131 nan 8.290 nan 0.000 0.404 199 V N 0.809 120.926 119.914 0.337 0.000 2.427 199 V HA -0.234 3.888 4.120 0.003 0.000 0.248 199 V C 2.072 178.379 176.094 0.356 0.000 1.051 199 V CA 1.932 64.404 62.300 0.287 0.000 1.048 199 V CB -0.951 31.101 31.823 0.381 0.000 0.666 199 V HN 0.520 nan 8.190 nan 0.000 0.456 200 E N 0.658 121.074 120.200 0.360 0.000 2.114 200 E HA -0.293 4.059 4.350 0.003 0.000 0.199 200 E C 2.337 179.061 176.600 0.206 0.000 1.008 200 E CA 1.592 58.134 56.400 0.237 0.000 0.810 200 E CB -0.335 29.332 29.700 -0.054 0.000 0.739 200 E HN 0.623 nan 8.360 nan 0.000 0.456 201 A N 1.139 124.088 122.820 0.215 0.000 1.930 201 A HA -0.155 4.166 4.320 0.003 0.000 0.217 201 A C 2.141 179.867 177.584 0.237 0.000 1.175 201 A CA 0.956 53.151 52.037 0.263 0.000 0.627 201 A CB -0.430 18.787 19.000 0.361 0.000 0.815 201 A HN 0.211 nan 8.150 nan 0.000 0.443 202 L N -0.214 120.981 121.223 -0.045 0.000 2.046 202 L HA -0.047 4.295 4.340 0.003 0.000 0.208 202 L C 2.589 179.329 176.870 -0.217 0.000 1.077 202 L CA 2.285 56.773 54.840 -0.586 0.000 0.747 202 L CB -0.945 40.439 42.059 -1.124 0.000 0.896 202 L HN 0.326 nan 8.230 nan 0.000 0.432 203 A N -1.081 121.709 122.820 -0.050 0.000 1.897 203 A HA -0.140 4.182 4.320 0.003 0.000 0.215 203 A C 1.931 179.559 177.584 0.073 0.000 1.181 203 A CA 1.420 53.469 52.037 0.020 0.000 0.620 203 A CB -0.714 18.402 19.000 0.194 0.000 0.821 203 A HN 0.495 nan 8.150 nan 0.000 0.443 204 D N 0.385 120.854 120.400 0.116 0.000 2.218 204 D HA -0.044 4.598 4.640 0.003 0.000 0.204 204 D C 1.879 178.228 176.300 0.082 0.000 0.976 204 D CA 1.372 55.432 54.000 0.101 0.000 0.853 204 D CB -0.268 40.592 40.800 0.099 0.000 0.939 204 D HN 0.444 nan 8.370 nan 0.000 0.481 205 A N -0.488 122.380 122.820 0.081 0.000 2.238 205 A HA 0.408 4.730 4.320 0.003 0.000 0.208 205 A C 1.641 179.261 177.584 0.060 0.000 1.177 205 A CA 1.059 53.152 52.037 0.092 0.000 0.804 205 A CB -0.012 19.078 19.000 0.150 0.000 0.823 205 A HN 0.256 nan 8.150 nan 0.000 0.482 206 G N -2.088 106.726 108.800 0.023 0.000 2.141 206 G HA2 0.210 4.171 3.960 0.003 0.000 0.164 206 G HA3 0.210 4.171 3.960 0.003 0.000 0.164 206 G C 0.268 175.141 174.900 -0.045 0.000 1.009 206 G CA -0.033 45.072 45.100 0.009 0.000 0.677 206 G HN 1.463 nan 8.290 nan 0.000 0.508 207 A N 0.744 123.494 122.820 -0.117 0.000 2.548 207 A HA 0.583 4.904 4.320 0.003 0.000 0.247 207 A C -1.044 176.399 177.584 -0.236 0.000 1.067 207 A CA -0.180 51.711 52.037 -0.243 0.000 0.757 207 A CB -0.030 18.769 19.000 -0.335 0.000 0.996 207 A HN 0.213 nan 8.150 nan 0.000 0.504 208 P HA 0.162 nan 4.420 nan 0.000 0.269 208 P C -0.411 176.750 177.300 -0.232 0.000 1.215 208 P CA -0.120 62.858 63.100 -0.203 0.000 0.780 208 P CB 0.362 31.958 31.700 -0.173 0.000 0.898 209 E N 0.849 120.953 120.200 -0.159 0.000 2.415 209 E HA 0.288 4.640 4.350 0.003 0.000 0.263 209 E C 1.109 177.602 176.600 -0.180 0.000 0.995 209 E CA 0.060 56.360 56.400 -0.167 0.000 0.915 209 E CB -0.557 29.073 29.700 -0.117 0.000 0.951 209 E HN 0.735 nan 8.360 nan 0.000 0.449 210 G N 2.885 111.562 108.800 -0.205 0.000 2.205 210 G HA2 -0.310 3.652 3.960 0.003 0.000 0.261 210 G HA3 -0.310 3.652 3.960 0.003 0.000 0.261 210 G C 0.787 175.552 174.900 -0.225 0.000 0.980 210 G CA 0.239 45.227 45.100 -0.186 0.000 0.632 210 G HN 0.519 nan 8.290 nan 0.000 0.533 211 I N 0.106 120.482 120.570 -0.324 0.000 2.226 211 I HA 0.129 4.301 4.170 0.003 0.000 0.245 211 I C 1.282 177.175 176.117 -0.373 0.000 1.100 211 I CA 0.805 61.822 61.300 -0.472 0.000 1.374 211 I CB -0.476 37.054 38.000 -0.783 0.000 1.057 211 I HN 0.405 nan 8.210 nan 0.000 0.413 212 I N 1.388 121.763 120.570 -0.326 0.000 2.439 212 I HA 0.315 4.487 4.170 0.003 0.000 0.285 212 I C -0.893 175.106 176.117 -0.197 0.000 1.021 212 I CA -0.488 60.664 61.300 -0.247 0.000 1.091 212 I CB 1.121 38.938 38.000 -0.305 0.000 1.242 212 I HN 0.023 nan 8.210 nan 0.000 0.439 213 Q N 6.661 126.394 119.800 -0.112 0.000 2.333 213 Q HA 0.572 4.913 4.340 0.003 0.000 0.267 213 Q C -1.115 174.873 176.000 -0.021 0.000 1.012 213 Q CA -0.861 54.880 55.803 -0.103 0.000 0.824 213 Q CB 2.726 31.405 28.738 -0.097 0.000 1.290 213 Q HN 0.477 nan 8.270 nan 0.000 0.449 214 V N 2.473 122.360 119.914 -0.045 0.000 2.427 214 V HA 0.480 4.602 4.120 0.003 0.000 0.286 214 V C 0.214 176.271 176.094 -0.063 0.000 1.034 214 V CA -0.806 61.489 62.300 -0.010 0.000 0.893 214 V CB 1.424 33.289 31.823 0.070 0.000 0.982 214 V HN 0.592 nan 8.190 nan 0.000 0.452 215 V N 1.995 121.840 119.914 -0.114 0.000 2.604 215 V HA 0.994 5.115 4.120 0.003 0.000 0.305 215 V C -0.203 175.821 176.094 -0.116 0.000 1.043 215 V CA -0.255 61.990 62.300 -0.091 0.000 0.888 215 V CB 1.737 33.523 31.823 -0.062 0.000 0.995 215 V HN 0.956 nan 8.190 nan 0.000 0.429 216 T N 0.879 115.390 114.554 -0.072 0.000 2.903 216 T HA 1.022 5.374 4.350 0.003 0.000 0.299 216 T C 0.107 174.782 174.700 -0.041 0.000 1.093 216 T CA -0.182 61.880 62.100 -0.064 0.000 1.002 216 T CB 1.594 70.430 68.868 -0.054 0.000 1.127 216 T HN 2.169 nan 8.240 nan 0.000 0.488 217 G N 0.858 109.638 108.800 -0.033 0.000 2.345 217 G HA2 0.348 4.310 3.960 0.003 0.000 0.285 217 G HA3 0.348 4.310 3.960 0.003 0.000 0.285 217 G C -1.689 173.201 174.900 -0.017 0.000 1.297 217 G CA -1.216 43.869 45.100 -0.026 0.000 0.875 217 G HN 0.743 nan 8.290 nan 0.000 0.506 218 R N 0.328 120.818 120.500 -0.016 0.000 2.438 218 R HA 0.393 4.735 4.340 0.003 0.000 0.287 218 R C 1.700 177.998 176.300 -0.004 0.000 1.077 218 R CA 0.340 56.434 56.100 -0.011 0.000 1.034 218 R CB 1.168 31.459 30.300 -0.015 0.000 0.993 218 R HN 0.813 nan 8.270 nan 0.000 0.459 219 G N 1.102 109.904 108.800 0.002 0.000 2.440 219 G HA2 -0.306 3.656 3.960 0.003 0.000 0.218 219 G HA3 -0.306 3.656 3.960 0.003 0.000 0.218 219 G C 1.350 176.253 174.900 0.006 0.000 1.154 219 G CA 1.086 46.192 45.100 0.009 0.000 0.767 219 G HN 0.650 nan 8.290 nan 0.000 0.552 220 S N -0.261 115.438 115.700 -0.000 0.000 2.474 220 S HA 0.041 4.512 4.470 0.003 0.000 0.235 220 S C 2.030 176.628 174.600 -0.003 0.000 0.997 220 S CA 1.210 59.409 58.200 -0.002 0.000 0.949 220 S CB 0.112 63.309 63.200 -0.006 0.000 0.766 220 S HN 0.126 nan 8.310 nan 0.000 0.517 221 V N 1.591 121.499 119.914 -0.009 0.000 2.581 221 V HA 0.264 4.386 4.120 0.003 0.000 0.240 221 V C 2.116 178.197 176.094 -0.021 0.000 1.054 221 V CA 1.109 63.394 62.300 -0.026 0.000 1.076 221 V CB -0.220 31.580 31.823 -0.038 0.000 0.748 221 V HN 0.736 nan 8.190 nan 0.000 0.474 222 I N -2.397 118.176 120.570 0.005 0.000 4.323 222 I HA 0.467 4.639 4.170 0.003 0.000 0.328 222 I C 1.947 178.116 176.117 0.085 0.000 1.310 222 I CA 0.923 62.246 61.300 0.037 0.000 1.186 222 I CB -0.119 37.889 38.000 0.013 0.000 1.130 222 I HN 0.083 nan 8.210 nan 0.000 0.411 223 G N 1.774 110.608 108.800 0.056 0.000 2.524 223 G HA2 -0.196 3.765 3.960 0.003 0.000 0.215 223 G HA3 -0.196 3.765 3.960 0.003 0.000 0.215 223 G C 1.105 176.035 174.900 0.050 0.000 1.239 223 G CA 1.351 46.478 45.100 0.044 0.000 0.798 223 G HN 0.321 nan 8.290 nan 0.000 0.557 224 D N -0.248 120.180 120.400 0.048 0.000 2.149 224 D HA -0.104 4.537 4.640 0.003 0.000 0.198 224 D C 2.022 178.365 176.300 0.072 0.000 0.990 224 D CA 1.215 55.239 54.000 0.039 0.000 0.839 224 D CB -0.476 40.343 40.800 0.032 0.000 0.948 224 D HN 0.457 nan 8.370 nan 0.000 0.460 225 H N 0.256 119.339 119.070 0.021 0.000 2.352 225 H HA -0.050 4.507 4.556 0.003 0.000 0.299 225 H C 2.201 177.584 175.328 0.092 0.000 1.097 225 H CA 1.297 57.375 56.048 0.049 0.000 1.311 225 H CB -0.288 29.503 29.762 0.049 0.000 1.377 225 H HN 0.057 nan 8.280 nan 0.000 0.504 226 L N -0.930 120.377 121.223 0.140 0.000 2.027 226 L HA -0.156 4.185 4.340 0.003 0.000 0.206 226 L C 2.467 179.360 176.870 0.039 0.000 1.074 226 L CA 1.023 55.907 54.840 0.075 0.000 0.745 226 L CB -0.236 41.862 42.059 0.066 0.000 0.898 226 L HN 0.202 nan 8.230 nan 0.000 0.433 227 V N -0.485 119.444 119.914 0.025 0.000 2.548 227 V HA -0.218 3.904 4.120 0.003 0.000 0.249 227 V C 1.798 177.892 176.094 0.000 0.000 1.055 227 V CA 1.568 63.872 62.300 0.006 0.000 1.065 227 V CB -0.430 31.380 31.823 -0.021 0.000 0.681 227 V HN 0.462 nan 8.190 nan 0.000 0.462 228 E N -1.535 118.655 120.200 -0.016 0.000 2.465 228 E HA 0.031 4.383 4.350 0.003 0.000 0.191 228 E C 0.625 177.189 176.600 -0.059 0.000 1.053 228 E CA -0.225 56.151 56.400 -0.041 0.000 0.869 228 E CB 0.061 29.727 29.700 -0.057 0.000 0.977 228 E HN 0.541 nan 8.360 nan 0.000 0.483 229 H N 2.095 121.078 119.070 -0.145 0.000 2.767 229 H HA 0.043 4.600 4.556 0.003 0.000 0.316 229 H C -1.508 173.766 175.328 -0.090 0.000 1.059 229 H CA -1.869 54.078 56.048 -0.169 0.000 1.461 229 H CB 1.291 30.945 29.762 -0.181 0.000 1.475 229 H HN -0.037 nan 8.280 nan 0.000 0.531 230 P HA -0.069 nan 4.420 nan 0.000 0.222 230 P C 1.173 178.558 177.300 0.141 0.000 1.147 230 P CA 1.067 64.178 63.100 0.019 0.000 0.790 230 P CB 0.059 31.716 31.700 -0.071 0.000 0.780 231 G N -0.631 108.404 108.800 0.391 0.000 2.920 231 G HA2 0.050 4.012 3.960 0.003 0.000 0.208 231 G HA3 0.050 4.012 3.960 0.003 0.000 0.208 231 G C 0.605 175.547 174.900 0.069 0.000 1.159 231 G CA -0.046 45.172 45.100 0.197 0.000 0.784 231 G HN 0.140 nan 8.290 nan 0.000 0.535 232 I N 1.680 122.297 120.570 0.078 0.000 2.342 232 I HA 0.243 4.414 4.170 0.003 0.000 0.291 232 I C -0.104 176.036 176.117 0.038 0.000 1.010 232 I CA -0.665 60.653 61.300 0.029 0.000 1.308 232 I CB 1.514 39.528 38.000 0.023 0.000 1.400 232 I HN 0.010 nan 8.210 nan 0.000 0.488 233 D N 5.749 126.168 120.400 0.033 0.000 2.417 233 D HA 0.159 4.801 4.640 0.003 0.000 0.207 233 D C 0.412 176.735 176.300 0.037 0.000 1.075 233 D CA 0.572 54.593 54.000 0.034 0.000 0.851 233 D CB 1.349 42.168 40.800 0.032 0.000 0.976 233 D HN 0.328 nan 8.370 nan 0.000 0.505 234 M N 1.147 120.773 119.600 0.043 0.000 2.373 234 M HA 0.304 4.786 4.480 0.003 0.000 0.290 234 M C -2.282 174.056 176.300 0.063 0.000 1.143 234 M CA -0.316 55.015 55.300 0.051 0.000 0.949 234 M CB 2.547 35.180 32.600 0.054 0.000 1.756 234 M HN -0.268 nan 8.290 nan 0.000 0.494 235 I N 3.181 123.794 120.570 0.071 0.000 2.465 235 I HA 0.485 4.657 4.170 0.003 0.000 0.291 235 I C -0.421 175.770 176.117 0.124 0.000 1.014 235 I CA -0.556 60.802 61.300 0.096 0.000 1.093 235 I CB 2.530 40.581 38.000 0.085 0.000 1.267 235 I HN 0.607 nan 8.210 nan 0.000 0.431 236 T N 5.462 120.110 114.554 0.156 0.000 2.812 236 T HA 0.565 4.916 4.350 0.003 0.000 0.282 236 T C -0.897 173.956 174.700 0.254 0.000 0.990 236 T CA -0.558 61.649 62.100 0.179 0.000 0.960 236 T CB 1.479 70.431 68.868 0.141 0.000 0.948 236 T HN 0.363 nan 8.240 nan 0.000 0.438 237 F N 1.716 121.723 119.950 0.096 0.000 2.591 237 F HA 0.650 5.179 4.527 0.003 0.000 0.309 237 F C -1.098 174.768 175.800 0.110 0.000 1.098 237 F CA -0.323 57.738 58.000 0.100 0.000 0.937 237 F CB 2.079 41.129 39.000 0.082 0.000 1.250 237 F HN 0.493 nan 8.300 nan 0.000 0.447 238 T N 4.064 118.102 114.554 -0.861 0.000 2.879 238 T HA 0.806 5.158 4.350 0.003 0.000 0.290 238 T C -0.316 173.720 174.700 -1.107 0.000 0.993 238 T CA -0.249 61.461 62.100 -0.650 0.000 0.975 238 T CB 1.286 70.017 68.868 -0.228 0.000 0.981 238 T HN 1.171 nan 8.240 nan 0.000 0.439 239 G N 1.489 109.881 108.800 -0.680 0.000 2.360 239 G HA2 0.526 4.487 3.960 0.003 0.000 0.276 239 G HA3 0.526 4.487 3.960 0.003 0.000 0.276 239 G C -0.258 174.684 174.900 0.071 0.000 1.256 239 G CA -0.242 44.677 45.100 -0.300 0.000 0.890 239 G HN 0.852 nan 8.290 nan 0.000 0.486 240 G N -0.824 108.076 108.800 0.168 0.000 2.544 240 G HA2 0.447 4.409 3.960 0.003 0.000 0.242 240 G HA3 0.447 4.409 3.960 0.003 0.000 0.242 240 G C 1.096 176.132 174.900 0.227 0.000 1.247 240 G CA 0.976 46.145 45.100 0.114 0.000 0.840 240 G HN 0.783 nan 8.290 nan 0.000 0.578 241 T N 1.409 116.083 114.554 0.199 0.000 2.746 241 T HA -0.145 4.207 4.350 0.003 0.000 0.267 241 T C 2.732 177.505 174.700 0.121 0.000 1.039 241 T CA 1.950 64.177 62.100 0.211 0.000 1.142 241 T CB -0.304 68.734 68.868 0.282 0.000 0.866 241 T HN 0.516 nan 8.240 nan 0.000 0.444 242 T N 1.913 116.518 114.554 0.085 0.000 2.652 242 T HA -0.138 4.214 4.350 0.003 0.000 0.267 242 T C 2.298 176.997 174.700 -0.003 0.000 1.039 242 T CA 1.831 63.949 62.100 0.031 0.000 1.153 242 T CB -0.798 68.079 68.868 0.015 0.000 0.863 242 T HN 0.406 nan 8.240 nan 0.000 0.428 243 T N 1.115 115.672 114.554 0.006 0.000 2.720 243 T HA -0.076 4.276 4.350 0.003 0.000 0.268 243 T C 2.213 176.750 174.700 -0.272 0.000 1.037 243 T CA 1.350 63.398 62.100 -0.087 0.000 1.144 243 T CB -0.929 67.945 68.868 0.009 0.000 0.864 243 T HN 0.528 nan 8.240 nan 0.000 0.444 244 G N 1.647 110.347 108.800 -0.167 0.000 2.440 244 G HA2 -0.223 3.739 3.960 0.003 0.000 0.218 244 G HA3 -0.223 3.739 3.960 0.003 0.000 0.218 244 G C 1.551 176.389 174.900 -0.103 0.000 1.154 244 G CA 0.617 45.615 45.100 -0.171 0.000 0.767 244 G HN 0.417 nan 8.290 nan 0.000 0.552 245 E N 0.613 120.787 120.200 -0.044 0.000 2.106 245 E HA -0.063 4.289 4.350 0.003 0.000 0.192 245 E C 2.671 179.235 176.600 -0.061 0.000 0.984 245 E CA 0.515 56.895 56.400 -0.035 0.000 0.806 245 E CB -0.228 29.461 29.700 -0.017 0.000 0.750 245 E HN 0.429 nan 8.360 nan 0.000 0.458 246 R N 0.316 120.765 120.500 -0.087 0.000 2.092 246 R HA -0.033 4.309 4.340 0.003 0.000 0.231 246 R C 2.464 178.700 176.300 -0.107 0.000 1.119 246 R CA 0.751 56.799 56.100 -0.086 0.000 0.970 246 R CB -0.153 30.094 30.300 -0.088 0.000 0.864 246 R HN 0.135 nan 8.270 nan 0.000 0.440 247 I N 0.307 120.772 120.570 -0.174 0.000 2.113 247 I HA -0.283 3.888 4.170 0.003 0.000 0.238 247 I C 2.497 178.558 176.117 -0.093 0.000 1.070 247 I CA 1.450 62.646 61.300 -0.173 0.000 1.332 247 I CB -1.327 36.492 38.000 -0.302 0.000 1.044 247 I HN 0.163 nan 8.210 nan 0.000 0.402 248 S N 0.155 115.810 115.700 -0.075 0.000 2.359 248 S HA -0.267 4.205 4.470 0.003 0.000 0.224 248 S C 2.048 176.631 174.600 -0.029 0.000 1.035 248 S CA 1.949 60.129 58.200 -0.034 0.000 1.018 248 S CB -0.276 62.914 63.200 -0.016 0.000 0.876 248 S HN 0.487 nan 8.310 nan 0.000 0.448 249 E N 0.144 120.322 120.200 -0.035 0.000 2.106 249 E HA -0.146 4.206 4.350 0.003 0.000 0.192 249 E C 1.960 178.543 176.600 -0.028 0.000 0.984 249 E CA 0.990 57.373 56.400 -0.028 0.000 0.806 249 E CB -0.045 29.638 29.700 -0.029 0.000 0.750 249 E HN 0.507 nan 8.360 nan 0.000 0.458 250 K N 0.263 120.642 120.400 -0.035 0.000 2.137 250 K HA 0.099 4.420 4.320 0.003 0.000 0.202 250 K C 1.049 177.633 176.600 -0.026 0.000 1.052 250 K CA 0.457 56.725 56.287 -0.031 0.000 0.961 250 K CB 0.039 32.517 32.500 -0.036 0.000 0.741 250 K HN 0.038 nan 8.250 nan 0.000 0.452 251 A N 2.833 125.638 122.820 -0.026 0.000 2.448 251 A HA 0.135 4.456 4.320 0.003 0.000 0.239 251 A C 0.068 177.646 177.584 -0.011 0.000 1.080 251 A CA 0.187 52.215 52.037 -0.015 0.000 0.779 251 A CB 0.032 19.027 19.000 -0.008 0.000 1.026 251 A HN 0.347 nan 8.150 nan 0.000 0.499 252 K N -0.008 120.388 120.400 -0.006 0.000 2.551 252 K HA 0.559 4.880 4.320 0.003 0.000 0.269 252 K C -0.269 176.331 176.600 -0.000 0.000 0.949 252 K CA -0.852 55.432 56.287 -0.005 0.000 0.849 252 K CB 0.966 33.460 32.500 -0.010 0.000 1.411 252 K HN 0.490 nan 8.250 nan 0.000 0.432 253 M N 0.263 119.863 119.600 0.001 0.000 2.856 253 M HA -0.190 4.292 4.480 0.003 0.000 0.189 253 M C -0.537 175.769 176.300 0.009 0.000 0.612 253 M CA 1.265 56.568 55.300 0.004 0.000 0.673 253 M CB -2.511 30.090 32.600 0.001 0.000 2.440 253 M HN 0.809 nan 8.290 nan 0.000 0.437 254 I N -2.072 118.505 120.570 0.012 0.000 2.865 254 I HA 0.798 4.970 4.170 0.003 0.000 0.302 254 I C -2.236 173.895 176.117 0.023 0.000 1.140 254 I CA -2.088 59.224 61.300 0.019 0.000 1.021 254 I CB 2.200 40.214 38.000 0.024 0.000 1.233 254 I HN -0.154 nan 8.210 nan 0.000 0.427 255 P HA 0.133 nan 4.420 nan 0.000 0.268 255 P C -0.868 176.458 177.300 0.043 0.000 1.204 255 P CA -0.066 63.055 63.100 0.034 0.000 0.768 255 P CB 1.744 33.466 31.700 0.037 0.000 0.842 256 V N 4.334 124.276 119.914 0.046 0.000 2.531 256 V HA 0.352 4.474 4.120 0.003 0.000 0.301 256 V C -0.858 175.281 176.094 0.075 0.000 1.034 256 V CA -0.739 61.597 62.300 0.060 0.000 0.865 256 V CB 2.199 34.049 31.823 0.045 0.000 0.995 256 V HN 0.277 nan 8.190 nan 0.000 0.424 257 V N 8.076 128.052 119.914 0.102 0.000 2.417 257 V HA 0.596 4.718 4.120 0.003 0.000 0.291 257 V C -0.349 175.845 176.094 0.166 0.000 1.024 257 V CA -0.447 61.922 62.300 0.115 0.000 0.861 257 V CB 1.587 33.474 31.823 0.107 0.000 0.985 257 V HN 0.771 nan 8.190 nan 0.000 0.436 258 L N 4.666 125.987 121.223 0.163 0.000 2.408 258 L HA 0.698 5.040 4.340 0.003 0.000 0.268 258 L C -0.714 176.269 176.870 0.187 0.000 0.986 258 L CA -0.605 54.374 54.840 0.232 0.000 0.820 258 L CB 2.373 44.564 42.059 0.220 0.000 1.303 258 L HN 0.813 nan 8.230 nan 0.000 0.411 259 E N 4.035 124.355 120.200 0.200 0.000 2.255 259 E HA 0.687 5.039 4.350 0.003 0.000 0.256 259 E C -1.587 175.118 176.600 0.176 0.000 0.887 259 E CA -0.502 56.008 56.400 0.183 0.000 0.782 259 E CB 1.343 31.201 29.700 0.262 0.000 1.214 259 E HN 0.489 nan 8.360 nan 0.000 0.417 260 L N 1.961 123.303 121.223 0.199 0.000 2.777 260 L HA 0.757 5.098 4.340 0.003 0.000 0.241 260 L C 1.136 178.123 176.870 0.194 0.000 1.854 260 L CA -1.236 53.735 54.840 0.219 0.000 2.070 260 L CB 0.073 42.292 42.059 0.267 0.000 2.441 260 L HN 0.650 nan 8.230 nan 0.000 0.587 261 G N -1.158 107.774 108.800 0.221 0.000 2.636 261 G HA2 0.474 4.435 3.960 0.003 0.000 0.246 261 G HA3 0.474 4.435 3.960 0.003 0.000 0.246 261 G C -0.490 174.307 174.900 -0.170 0.000 1.216 261 G CA 0.271 45.383 45.100 0.021 0.000 0.854 261 G HN 0.705 nan 8.290 nan 0.000 0.572 262 G N -1.038 107.530 108.800 -0.387 0.000 2.619 262 G HA2 0.530 4.492 3.960 0.003 0.000 0.296 262 G HA3 0.530 4.492 3.960 0.003 0.000 0.296 262 G C -0.908 173.730 174.900 -0.436 0.000 1.334 262 G CA -0.739 44.179 45.100 -0.302 0.000 0.934 262 G HN 0.585 nan 8.290 nan 0.000 0.476 263 K N 1.058 121.371 120.400 -0.144 0.000 3.146 263 K HA 0.276 4.598 4.320 0.003 0.000 0.168 263 K C -0.882 175.757 176.600 0.065 0.000 1.075 263 K CA -0.482 55.800 56.287 -0.008 0.000 0.843 263 K CB 0.059 32.655 32.500 0.160 0.000 1.002 263 K HN 0.361 nan 8.250 nan 0.000 0.597 264 D N 3.548 123.971 120.400 0.039 0.000 2.434 264 D HA 0.046 4.688 4.640 0.003 0.000 0.252 264 D C -2.282 174.053 176.300 0.058 0.000 1.185 264 D CA -1.113 52.933 54.000 0.076 0.000 0.886 264 D CB 0.794 41.636 40.800 0.069 0.000 1.148 264 D HN 0.281 nan 8.370 nan 0.000 0.483 265 P HA 0.313 nan 4.420 nan 0.000 0.286 265 P C -1.320 176.064 177.300 0.140 0.000 1.261 265 P CA -0.754 62.412 63.100 0.110 0.000 0.821 265 P CB 1.252 33.151 31.700 0.331 0.000 1.013 266 A N 4.116 127.004 122.820 0.113 0.000 2.273 266 A HA 0.582 4.903 4.320 0.003 0.000 0.315 266 A C -0.094 177.652 177.584 0.270 0.000 1.256 266 A CA -0.807 51.378 52.037 0.246 0.000 0.851 266 A CB -0.037 19.119 19.000 0.259 0.000 1.172 266 A HN 0.457 nan 8.150 nan 0.000 0.508 267 I N 3.400 124.166 120.570 0.327 0.000 2.312 267 I HA 0.304 4.476 4.170 0.003 0.000 0.290 267 I C -0.713 175.594 176.117 0.316 0.000 1.008 267 I CA -0.606 60.874 61.300 0.301 0.000 1.226 267 I CB 1.656 39.795 38.000 0.233 0.000 1.371 267 I HN 0.294 nan 8.210 nan 0.000 0.468 268 V N 7.543 127.602 119.914 0.241 0.000 2.334 268 V HA 0.344 4.466 4.120 0.003 0.000 0.281 268 V C 0.081 176.260 176.094 0.141 0.000 1.016 268 V CA -0.571 61.850 62.300 0.202 0.000 0.832 268 V CB 1.337 33.210 31.823 0.082 0.000 0.999 268 V HN 0.421 nan 8.190 nan 0.000 0.439 269 L N 2.624 123.931 121.223 0.141 0.000 2.448 269 L HA 0.484 4.826 4.340 0.003 0.000 0.258 269 L C 1.650 178.566 176.870 0.076 0.000 1.104 269 L CA 0.255 55.153 54.840 0.097 0.000 0.800 269 L CB 0.560 42.672 42.059 0.089 0.000 1.241 269 L HN 0.521 nan 8.230 nan 0.000 0.472 270 D N 0.221 120.656 120.400 0.058 0.000 2.133 270 D HA -0.208 4.433 4.640 0.003 0.000 0.192 270 D C 0.995 177.321 176.300 0.044 0.000 1.001 270 D CA 1.725 55.751 54.000 0.044 0.000 0.844 270 D CB 0.106 40.928 40.800 0.037 0.000 0.944 270 D HN 0.714 nan 8.370 nan 0.000 0.447 271 D N -0.607 119.823 120.400 0.050 0.000 2.325 271 D HA 0.158 4.800 4.640 0.003 0.000 0.225 271 D C 0.181 176.516 176.300 0.059 0.000 1.096 271 D CA -0.177 53.852 54.000 0.047 0.000 0.844 271 D CB -0.548 40.278 40.800 0.043 0.000 0.925 271 D HN 0.104 nan 8.370 nan 0.000 0.513 272 A N 0.688 123.551 122.820 0.073 0.000 2.445 272 A HA 0.189 4.511 4.320 0.003 0.000 0.242 272 A C 0.242 177.865 177.584 0.066 0.000 1.075 272 A CA -0.358 51.737 52.037 0.097 0.000 0.777 272 A CB 0.230 19.308 19.000 0.130 0.000 1.013 272 A HN 0.150 nan 8.150 nan 0.000 0.493 273 D N 2.267 122.715 120.400 0.079 0.000 2.342 273 D HA 0.128 4.770 4.640 0.003 0.000 0.260 273 D C 0.778 177.091 176.300 0.023 0.000 1.278 273 D CA 0.101 54.132 54.000 0.051 0.000 0.910 273 D CB 0.135 40.973 40.800 0.064 0.000 1.079 273 D HN 0.431 nan 8.370 nan 0.000 0.496 274 L N 3.355 124.576 121.223 -0.003 0.000 2.313 274 L HA -0.062 4.279 4.340 0.003 0.000 0.214 274 L C 2.296 179.132 176.870 -0.057 0.000 1.119 274 L CA 0.385 55.200 54.840 -0.041 0.000 0.809 274 L CB -0.159 41.883 42.059 -0.030 0.000 0.933 274 L HN 0.254 nan 8.230 nan 0.000 0.449 275 K N 0.303 120.686 120.400 -0.029 0.000 2.007 275 K HA -0.109 4.213 4.320 0.003 0.000 0.206 275 K C 2.045 178.628 176.600 -0.029 0.000 1.047 275 K CA 1.076 57.347 56.287 -0.027 0.000 0.937 275 K CB -0.601 31.893 32.500 -0.009 0.000 0.718 275 K HN 0.111 nan 8.250 nan 0.000 0.438 276 L N 1.692 122.914 121.223 -0.002 0.000 2.083 276 L HA -0.154 4.188 4.340 0.003 0.000 0.209 276 L C 2.003 178.860 176.870 -0.022 0.000 1.083 276 L CA 1.815 56.670 54.840 0.026 0.000 0.752 276 L CB -0.770 41.338 42.059 0.081 0.000 0.899 276 L HN 0.174 nan 8.230 nan 0.000 0.433 277 T N -0.352 114.120 114.554 -0.137 0.000 2.674 277 T HA -0.163 4.188 4.350 0.003 0.000 0.265 277 T C 1.929 176.377 174.700 -0.420 0.000 1.039 277 T CA 1.373 63.155 62.100 -0.529 0.000 1.150 277 T CB -0.594 67.906 68.868 -0.614 0.000 0.864 277 T HN 0.519 nan 8.240 nan 0.000 0.427 278 A N 1.067 123.754 122.820 -0.223 0.000 1.908 278 A HA -0.134 4.188 4.320 0.003 0.000 0.218 278 A C 2.585 180.115 177.584 -0.090 0.000 1.181 278 A CA 2.253 54.204 52.037 -0.143 0.000 0.627 278 A CB -1.128 17.819 19.000 -0.088 0.000 0.818 278 A HN 0.447 nan 8.150 nan 0.000 0.445 279 S N -1.291 114.371 115.700 -0.062 0.000 2.355 279 S HA -0.177 4.295 4.470 0.003 0.000 0.222 279 S C 2.209 176.811 174.600 0.004 0.000 1.031 279 S CA 1.489 59.678 58.200 -0.018 0.000 0.993 279 S CB -0.360 62.838 63.200 -0.003 0.000 0.859 279 S HN 0.578 nan 8.310 nan 0.000 0.453 280 Q N 0.458 120.263 119.800 0.009 0.000 2.124 280 Q HA -0.043 4.299 4.340 0.003 0.000 0.202 280 Q C 2.192 178.224 176.000 0.053 0.000 0.977 280 Q CA 0.960 56.810 55.803 0.078 0.000 0.850 280 Q CB -0.459 28.426 28.738 0.244 0.000 0.901 280 Q HN 0.498 nan 8.270 nan 0.000 0.429 281 I N -0.062 120.487 120.570 -0.035 0.000 2.202 281 I HA -0.185 3.987 4.170 0.003 0.000 0.242 281 I C 2.438 178.576 176.117 0.035 0.000 1.091 281 I CA 0.802 62.083 61.300 -0.031 0.000 1.368 281 I CB -1.329 36.599 38.000 -0.120 0.000 1.058 281 I HN -0.052 nan 8.210 nan 0.000 0.410 282 V N 0.294 120.255 119.914 0.079 0.000 2.307 282 V HA -0.236 3.886 4.120 0.003 0.000 0.245 282 V C 2.757 178.981 176.094 0.217 0.000 1.045 282 V CA 1.922 64.357 62.300 0.226 0.000 1.024 282 V CB -0.783 31.116 31.823 0.127 0.000 0.651 282 V HN 0.486 nan 8.190 nan 0.000 0.449 283 S N 0.773 116.536 115.700 0.105 0.000 2.359 283 S HA -0.170 4.301 4.470 0.003 0.000 0.224 283 S C 2.067 176.706 174.600 0.066 0.000 1.035 283 S CA 2.170 60.418 58.200 0.080 0.000 1.018 283 S CB -0.718 62.510 63.200 0.047 0.000 0.876 283 S HN 0.606 nan 8.310 nan 0.000 0.448 284 G N 0.520 109.342 108.800 0.037 0.000 2.404 284 G HA2 0.097 4.059 3.960 0.003 0.000 0.215 284 G HA3 0.097 4.059 3.960 0.003 0.000 0.215 284 G C 1.743 176.606 174.900 -0.060 0.000 1.174 284 G CA 0.839 45.936 45.100 -0.005 0.000 0.780 284 G HN 0.761 nan 8.290 nan 0.000 0.537 285 A N -0.031 122.717 122.820 -0.120 0.000 1.930 285 A HA 0.236 4.558 4.320 0.003 0.000 0.217 285 A C 1.855 179.141 177.584 -0.497 0.000 1.175 285 A CA 1.100 52.910 52.037 -0.378 0.000 0.627 285 A CB -0.317 18.323 19.000 -0.599 0.000 0.815 285 A HN 0.329 nan 8.150 nan 0.000 0.443 286 F N -0.408 119.516 119.950 -0.044 0.000 2.682 286 F HA 0.245 4.773 4.527 0.002 0.000 0.308 286 F C 1.312 177.099 175.800 -0.023 0.000 1.093 286 F CA 0.089 58.063 58.000 -0.042 0.000 1.244 286 F CB 0.143 39.120 39.000 -0.037 0.000 1.052 286 F HN 0.080 nan 8.300 nan 0.000 0.573 287 S N 0.214 115.983 115.700 0.114 0.000 2.552 287 S HA -0.109 4.363 4.470 0.003 0.000 0.289 287 S C 0.435 175.113 174.600 0.129 0.000 1.304 287 S CA -0.184 58.078 58.200 0.103 0.000 1.063 287 S CB -0.197 63.046 63.200 0.070 0.000 0.848 287 S HN 0.417 nan 8.310 nan 0.000 0.499 288 Y N 3.506 123.790 120.300 -0.027 0.000 3.396 288 Y HA -0.332 4.220 4.550 0.003 0.000 0.214 288 Y C 0.858 176.731 175.900 -0.045 0.000 1.203 288 Y CA 1.044 59.110 58.100 -0.057 0.000 1.401 288 Y CB -2.393 35.992 38.460 -0.126 0.000 1.409 288 Y HN 1.099 nan 8.280 nan 0.000 0.594 289 S N -2.054 113.663 115.700 0.028 0.000 3.521 289 S HA -0.134 4.338 4.470 0.003 0.000 0.328 289 S C 1.553 176.079 174.600 -0.123 0.000 1.165 289 S CA 1.421 59.614 58.200 -0.012 0.000 0.941 289 S CB -1.741 61.429 63.200 -0.050 0.000 0.951 289 S HN 2.329 nan 8.310 nan 0.000 0.539 290 G N 0.111 108.802 108.800 -0.181 0.000 2.159 290 G HA2 -0.321 3.640 3.960 0.003 0.000 0.256 290 G HA3 -0.321 3.640 3.960 0.003 0.000 0.256 290 G C -0.077 174.502 174.900 -0.535 0.000 0.977 290 G CA 0.416 45.333 45.100 -0.306 0.000 0.652 290 G HN 0.694 nan 8.290 nan 0.000 0.531 291 Q N 0.205 119.620 119.800 -0.642 0.000 3.170 291 Q HA 0.390 4.732 4.340 0.003 0.000 0.346 291 Q C 0.567 175.868 176.000 -1.165 0.000 1.333 291 Q CA 0.203 55.319 55.803 -1.145 0.000 0.958 291 Q CB 0.170 28.474 28.738 -0.725 0.000 1.600 291 Q HN 0.515 nan 8.270 nan 0.000 0.482 292 R N -0.793 119.087 120.500 -1.033 0.000 2.604 292 R HA 0.277 4.619 4.340 0.003 0.000 0.281 292 R C -0.063 176.161 176.300 -0.126 0.000 1.020 292 R CA -0.616 55.296 56.100 -0.314 0.000 0.899 292 R CB 1.048 31.310 30.300 -0.064 0.000 1.205 292 R HN 0.257 nan 8.270 nan 0.000 0.450 293 C N 0.480 119.893 119.300 0.188 0.000 2.440 293 C HA -0.025 4.437 4.460 0.003 0.000 0.278 293 C C 1.035 176.108 174.990 0.138 0.000 1.295 293 C CA 0.773 59.937 59.018 0.243 0.000 1.738 293 C CB -0.172 27.728 27.740 0.267 0.000 1.987 293 C HN 0.654 nan 8.230 nan 0.000 0.492 294 T N 1.668 116.299 114.554 0.130 0.000 2.762 294 T HA 0.601 4.953 4.350 0.003 0.000 0.303 294 T C -0.285 174.435 174.700 0.034 0.000 0.977 294 T CA 0.379 62.553 62.100 0.125 0.000 0.961 294 T CB 0.461 69.431 68.868 0.171 0.000 0.944 294 T HN 0.567 nan 8.240 nan 0.000 0.481 295 A N 3.726 126.550 122.820 0.007 0.000 2.594 295 A HA 0.471 4.793 4.320 0.003 0.000 0.301 295 A C -1.007 176.542 177.584 -0.058 0.000 1.022 295 A CA -0.905 51.102 52.037 -0.049 0.000 0.738 295 A CB 0.724 19.660 19.000 -0.106 0.000 1.263 295 A HN 0.583 nan 8.150 nan 0.000 0.409 296 I N 1.957 122.488 120.570 -0.065 0.000 2.668 296 I HA 0.114 4.286 4.170 0.003 0.000 0.285 296 I C 0.961 176.991 176.117 -0.146 0.000 1.168 296 I CA 0.885 62.145 61.300 -0.067 0.000 1.424 296 I CB 0.455 38.434 38.000 -0.035 0.000 1.377 296 I HN 0.834 nan 8.210 nan 0.000 0.560 297 K N 5.739 126.058 120.400 -0.135 0.000 2.477 297 K HA 0.296 4.618 4.320 0.003 0.000 0.208 297 K C -0.039 176.439 176.600 -0.205 0.000 1.117 297 K CA -0.101 56.082 56.287 -0.174 0.000 1.039 297 K CB 0.952 33.377 32.500 -0.125 0.000 0.937 297 K HN 0.483 nan 8.250 nan 0.000 0.570 298 R N 0.863 121.224 120.500 -0.232 0.000 2.548 298 R HA 0.384 4.725 4.340 0.003 0.000 0.280 298 R C -1.418 174.637 176.300 -0.408 0.000 1.061 298 R CA -0.673 55.189 56.100 -0.397 0.000 0.915 298 R CB 2.612 32.598 30.300 -0.523 0.000 1.210 298 R HN -0.194 nan 8.270 nan 0.000 0.442 299 V N 3.773 123.419 119.914 -0.446 0.000 2.409 299 V HA 0.462 4.584 4.120 0.003 0.000 0.291 299 V C -0.951 174.908 176.094 -0.393 0.000 1.020 299 V CA -0.671 61.442 62.300 -0.311 0.000 0.848 299 V CB 1.260 32.987 31.823 -0.161 0.000 0.990 299 V HN 0.524 nan 8.190 nan 0.000 0.430 300 F N 4.220 124.171 119.950 0.003 0.000 2.332 300 F HA 0.573 5.102 4.527 0.003 0.000 0.368 300 F C 0.092 175.904 175.800 0.020 0.000 1.110 300 F CA -0.677 57.325 58.000 0.003 0.000 1.087 300 F CB 1.713 40.721 39.000 0.014 0.000 1.235 300 F HN 0.291 nan 8.300 nan 0.000 0.470 301 V N 4.968 124.978 119.914 0.160 0.000 2.448 301 V HA 0.364 4.485 4.120 0.003 0.000 0.295 301 V C -0.116 176.031 176.094 0.088 0.000 1.025 301 V CA -0.538 61.821 62.300 0.098 0.000 0.859 301 V CB 1.525 33.370 31.823 0.037 0.000 0.988 301 V HN 0.715 nan 8.190 nan 0.000 0.431 302 Q N 3.682 123.529 119.800 0.079 0.000 2.304 302 Q HA -0.030 4.312 4.340 0.003 0.000 0.301 302 Q C 1.080 177.105 176.000 0.042 0.000 1.063 302 Q CA 0.850 56.688 55.803 0.058 0.000 0.947 302 Q CB 0.784 29.553 28.738 0.052 0.000 1.201 302 Q HN 0.997 nan 8.270 nan 0.000 0.389 303 D N 1.525 121.947 120.400 0.036 0.000 2.149 303 D HA -0.234 4.408 4.640 0.003 0.000 0.194 303 D C 1.378 177.691 176.300 0.021 0.000 1.001 303 D CA 2.129 56.145 54.000 0.027 0.000 0.849 303 D CB -0.188 40.627 40.800 0.024 0.000 0.939 303 D HN 0.518 nan 8.370 nan 0.000 0.449 304 S N 0.401 116.114 115.700 0.021 0.000 2.419 304 S HA -0.119 4.353 4.470 0.003 0.000 0.233 304 S C 2.215 176.823 174.600 0.014 0.000 1.016 304 S CA 1.441 59.651 58.200 0.017 0.000 0.974 304 S CB -0.624 62.587 63.200 0.018 0.000 0.786 304 S HN 0.418 nan 8.310 nan 0.000 0.492 305 V N -2.295 117.629 119.914 0.016 0.000 3.578 305 V HA 0.671 4.792 4.120 0.003 0.000 0.290 305 V C 2.246 178.342 176.094 0.004 0.000 1.376 305 V CA 0.098 62.404 62.300 0.010 0.000 1.083 305 V CB -0.744 31.088 31.823 0.014 0.000 0.911 305 V HN 0.427 nan 8.190 nan 0.000 0.433 306 A N 1.012 123.836 122.820 0.007 0.000 1.865 306 A HA -0.242 4.080 4.320 0.003 0.000 0.217 306 A C 2.012 179.592 177.584 -0.006 0.000 1.191 306 A CA 2.327 54.365 52.037 0.002 0.000 0.623 306 A CB -0.840 18.166 19.000 0.010 0.000 0.826 306 A HN 0.540 nan 8.150 nan 0.000 0.444 307 D N -1.128 119.270 120.400 -0.003 0.000 2.126 307 D HA -0.224 4.418 4.640 0.003 0.000 0.190 307 D C 2.138 178.431 176.300 -0.011 0.000 1.001 307 D CA 2.133 56.130 54.000 -0.006 0.000 0.841 307 D CB -0.162 40.636 40.800 -0.003 0.000 0.949 307 D HN 0.551 nan 8.370 nan 0.000 0.446 308 Q N 0.589 120.383 119.800 -0.010 0.000 2.030 308 Q HA -0.155 4.187 4.340 0.003 0.000 0.204 308 Q C 2.197 178.183 176.000 -0.023 0.000 0.986 308 Q CA 1.110 56.904 55.803 -0.014 0.000 0.843 308 Q CB -0.627 28.105 28.738 -0.010 0.000 0.904 308 Q HN 0.236 nan 8.270 nan 0.000 0.420 309 L N -0.548 120.659 121.223 -0.027 0.000 2.042 309 L HA -0.121 4.221 4.340 0.003 0.000 0.210 309 L C 2.249 179.093 176.870 -0.043 0.000 1.076 309 L CA 1.601 56.415 54.840 -0.044 0.000 0.749 309 L CB -0.818 41.210 42.059 -0.052 0.000 0.893 309 L HN 0.212 nan 8.230 nan 0.000 0.432 310 V N -0.353 119.541 119.914 -0.032 0.000 2.427 310 V HA -0.259 3.863 4.120 0.003 0.000 0.248 310 V C 2.703 178.781 176.094 -0.027 0.000 1.051 310 V CA 1.501 63.784 62.300 -0.028 0.000 1.048 310 V CB -0.647 31.163 31.823 -0.022 0.000 0.666 310 V HN 0.636 nan 8.190 nan 0.000 0.456 311 A N 0.200 123.005 122.820 -0.025 0.000 1.883 311 A HA -0.257 4.064 4.320 0.003 0.000 0.217 311 A C 2.012 179.578 177.584 -0.030 0.000 1.186 311 A CA 2.204 54.226 52.037 -0.025 0.000 0.624 311 A CB -0.773 18.215 19.000 -0.021 0.000 0.822 311 A HN 0.596 nan 8.150 nan 0.000 0.444 312 N N 0.092 118.772 118.700 -0.033 0.000 2.104 312 N HA -0.121 4.621 4.740 0.003 0.000 0.190 312 N C 1.579 177.064 175.510 -0.042 0.000 1.024 312 N CA 1.628 54.655 53.050 -0.038 0.000 0.853 312 N CB -0.476 37.984 38.487 -0.046 0.000 1.008 312 N HN 0.592 nan 8.380 nan 0.000 0.424 313 I N 0.846 121.391 120.570 -0.041 0.000 2.202 313 I HA -0.227 3.944 4.170 0.003 0.000 0.242 313 I C 2.387 178.479 176.117 -0.041 0.000 1.091 313 I CA 0.913 62.193 61.300 -0.032 0.000 1.368 313 I CB -0.180 37.809 38.000 -0.019 0.000 1.058 313 I HN 0.127 nan 8.210 nan 0.000 0.410 314 K N 1.071 121.447 120.400 -0.041 0.000 2.044 314 K HA -0.306 4.016 4.320 0.003 0.000 0.210 314 K C 2.088 178.650 176.600 -0.064 0.000 1.049 314 K CA 2.141 58.397 56.287 -0.052 0.000 0.927 314 K CB -0.136 32.340 32.500 -0.039 0.000 0.713 314 K HN 0.276 nan 8.250 nan 0.000 0.443 315 E N 0.403 120.571 120.200 -0.052 0.000 2.038 315 E HA -0.217 4.135 4.350 0.003 0.000 0.195 315 E C 2.062 178.624 176.600 -0.062 0.000 1.000 315 E CA 1.552 57.921 56.400 -0.050 0.000 0.803 315 E CB -0.090 29.587 29.700 -0.039 0.000 0.750 315 E HN 0.334 nan 8.360 nan 0.000 0.448 316 L N 0.109 121.293 121.223 -0.064 0.000 2.141 316 L HA -0.138 4.204 4.340 0.003 0.000 0.209 316 L C 2.482 179.281 176.870 -0.119 0.000 1.094 316 L CA 0.447 55.244 54.840 -0.072 0.000 0.763 316 L CB -0.227 41.801 42.059 -0.053 0.000 0.908 316 L HN 0.091 nan 8.230 nan 0.000 0.437 317 V N -0.284 119.534 119.914 -0.160 0.000 2.427 317 V HA -0.248 3.873 4.120 0.003 0.000 0.248 317 V C 2.319 178.279 176.094 -0.223 0.000 1.051 317 V CA 1.664 63.792 62.300 -0.286 0.000 1.048 317 V CB -0.317 31.300 31.823 -0.344 0.000 0.666 317 V HN 0.409 nan 8.190 nan 0.000 0.456 318 E N -0.672 119.441 120.200 -0.144 0.000 2.274 318 E HA -0.191 4.161 4.350 0.003 0.000 0.194 318 E C 2.279 178.824 176.600 -0.091 0.000 0.996 318 E CA 0.470 56.804 56.400 -0.108 0.000 0.840 318 E CB -0.034 29.619 29.700 -0.078 0.000 0.772 318 E HN 0.533 nan 8.360 nan 0.000 0.491 319 Q N 0.168 119.915 119.800 -0.089 0.000 2.291 319 Q HA -0.063 4.279 4.340 0.003 0.000 0.205 319 Q C 0.109 176.063 176.000 -0.077 0.000 0.970 319 Q CA 0.269 56.029 55.803 -0.071 0.000 0.876 319 Q CB 0.121 28.823 28.738 -0.060 0.000 0.935 319 Q HN 0.285 nan 8.270 nan 0.000 0.455 320 L N 3.122 124.278 121.223 -0.111 0.000 2.584 320 L HA -0.012 4.330 4.340 0.003 0.000 0.272 320 L C 0.487 177.309 176.870 -0.080 0.000 1.195 320 L CA 0.022 54.796 54.840 -0.110 0.000 0.920 320 L CB 0.033 41.983 42.059 -0.182 0.000 1.173 320 L HN 0.173 nan 8.230 nan 0.000 0.489 321 T N 0.959 115.481 114.554 -0.053 0.000 2.834 321 T HA 0.364 4.716 4.350 0.003 0.000 0.298 321 T C -0.059 174.622 174.700 -0.032 0.000 0.966 321 T CA -0.856 61.222 62.100 -0.036 0.000 1.141 321 T CB 1.142 69.996 68.868 -0.024 0.000 0.905 321 T HN 0.427 nan 8.240 nan 0.000 0.535 322 V N 1.080 120.977 119.914 -0.028 0.000 2.444 322 V HA 0.958 5.080 4.120 0.003 0.000 0.294 322 V C 0.189 176.279 176.094 -0.007 0.000 1.022 322 V CA 0.373 62.661 62.300 -0.019 0.000 0.850 322 V CB 0.881 32.686 31.823 -0.030 0.000 0.992 322 V HN 1.423 nan 8.190 nan 0.000 0.426 323 G N 3.177 111.979 108.800 0.004 0.000 2.566 323 G HA2 0.346 4.307 3.960 0.003 0.000 0.138 323 G HA3 0.346 4.307 3.960 0.003 0.000 0.138 323 G C -0.412 174.499 174.900 0.019 0.000 1.133 323 G CA 0.022 45.127 45.100 0.010 0.000 1.037 323 G HN 1.494 nan 8.290 nan 0.000 0.491 324 S N 0.917 116.628 115.700 0.019 0.000 2.592 324 S HA 0.517 4.989 4.470 0.003 0.000 0.271 324 S C -1.064 173.549 174.600 0.022 0.000 1.326 324 S CA -0.204 58.012 58.200 0.026 0.000 1.024 324 S CB 1.556 64.772 63.200 0.026 0.000 0.921 324 S HN 0.178 nan 8.310 nan 0.000 0.527 325 P HA -0.036 nan 4.420 nan 0.000 0.215 325 P C 1.068 178.349 177.300 -0.032 0.000 1.157 325 P CA 1.037 64.140 63.100 0.005 0.000 0.863 325 P CB 0.042 31.747 31.700 0.008 0.000 0.787 326 E N -0.753 119.426 120.200 -0.036 0.000 2.331 326 E HA -0.166 4.186 4.350 0.003 0.000 0.199 326 E C 0.633 177.218 176.600 -0.026 0.000 1.008 326 E CA 0.737 57.109 56.400 -0.048 0.000 0.843 326 E CB -0.281 29.410 29.700 -0.015 0.000 0.761 326 E HN 0.284 nan 8.360 nan 0.000 0.507 327 D N 0.201 120.593 120.400 -0.012 0.000 2.369 327 D HA -0.022 4.620 4.640 0.003 0.000 0.211 327 D C -0.328 175.965 176.300 -0.012 0.000 1.077 327 D CA 0.161 54.156 54.000 -0.009 0.000 0.842 327 D CB 0.348 41.147 40.800 -0.002 0.000 0.947 327 D HN 0.018 nan 8.370 nan 0.000 0.509 328 D N 0.877 121.267 120.400 -0.016 0.000 2.699 328 D HA -0.167 4.475 4.640 0.003 0.000 0.239 328 D C 0.017 176.313 176.300 -0.005 0.000 1.136 328 D CA 0.517 54.508 54.000 -0.015 0.000 0.668 328 D CB -0.962 39.825 40.800 -0.020 0.000 1.060 328 D HN 0.238 nan 8.370 nan 0.000 0.429 329 A N 0.405 123.226 122.820 0.002 0.000 2.407 329 A HA 0.159 4.481 4.320 0.003 0.000 0.248 329 A C 1.399 178.992 177.584 0.014 0.000 1.082 329 A CA -0.112 51.928 52.037 0.005 0.000 0.785 329 A CB 0.622 19.627 19.000 0.009 0.000 1.020 329 A HN 0.104 nan 8.150 nan 0.000 0.489 330 D N 0.617 121.021 120.400 0.006 0.000 2.078 330 D HA -0.090 4.552 4.640 0.003 0.000 0.193 330 D C 0.504 176.829 176.300 0.041 0.000 0.990 330 D CA 1.424 55.434 54.000 0.017 0.000 0.827 330 D CB -0.068 40.726 40.800 -0.011 0.000 0.975 330 D HN 0.384 nan 8.370 nan 0.000 0.451 331 I N 1.900 122.484 120.570 0.023 0.000 2.321 331 I HA 0.143 4.315 4.170 0.003 0.000 0.291 331 I C 0.669 176.807 176.117 0.036 0.000 0.998 331 I CA -0.062 61.261 61.300 0.037 0.000 1.227 331 I CB 1.142 39.150 38.000 0.013 0.000 1.368 331 I HN -0.070 nan 8.210 nan 0.000 0.466 332 T N 4.449 119.035 114.554 0.053 0.000 2.910 332 T HA 0.646 4.998 4.350 0.003 0.000 0.287 332 T C -2.851 171.873 174.700 0.041 0.000 1.050 332 T CA -2.300 59.833 62.100 0.055 0.000 1.011 332 T CB 1.616 70.537 68.868 0.088 0.000 1.195 332 T HN 0.165 nan 8.240 nan 0.000 0.540 333 P HA 0.260 nan 4.420 nan 0.000 0.268 333 P C 0.263 177.573 177.300 0.018 0.000 1.204 333 P CA -0.579 62.539 63.100 0.030 0.000 0.768 333 P CB 0.184 31.905 31.700 0.035 0.000 0.842 334 V N 1.879 121.794 119.914 0.003 0.000 3.051 334 V HA 0.040 4.162 4.120 0.003 0.000 0.306 334 V C 1.647 177.727 176.094 -0.023 0.000 1.083 334 V CA -0.184 62.109 62.300 -0.012 0.000 1.104 334 V CB -0.292 31.539 31.823 0.013 0.000 1.027 334 V HN 0.395 nan 8.190 nan 0.000 0.483 335 I N 1.870 122.399 120.570 -0.068 0.000 2.145 335 I HA -0.117 4.055 4.170 0.003 0.000 0.244 335 I C 0.896 176.921 176.117 -0.152 0.000 1.075 335 I CA 2.546 63.729 61.300 -0.195 0.000 1.332 335 I CB -0.447 37.140 38.000 -0.687 0.000 1.033 335 I HN 1.236 nan 8.210 nan 0.000 0.410 336 D N -3.620 116.712 120.400 -0.114 0.000 2.921 336 D HA 0.156 4.797 4.640 0.003 0.000 0.329 336 D C 0.754 177.037 176.300 -0.029 0.000 1.293 336 D CA -0.496 53.460 54.000 -0.073 0.000 0.964 336 D CB 0.009 40.750 40.800 -0.097 0.000 1.435 336 D HN -0.174 nan 8.370 nan 0.000 0.548 337 E N -0.332 119.856 120.200 -0.019 0.000 2.072 337 E HA -0.095 4.256 4.350 0.003 0.000 0.190 337 E C 1.527 178.139 176.600 0.019 0.000 0.982 337 E CA 0.802 57.204 56.400 0.003 0.000 0.803 337 E CB -0.200 29.500 29.700 0.000 0.000 0.755 337 E HN 0.287 nan 8.360 nan 0.000 0.453 338 K N 1.355 121.759 120.400 0.006 0.000 2.001 338 K HA -0.118 4.204 4.320 0.003 0.000 0.214 338 K C 2.300 178.939 176.600 0.065 0.000 1.050 338 K CA 1.501 57.801 56.287 0.021 0.000 0.934 338 K CB -0.918 31.570 32.500 -0.020 0.000 0.718 338 K HN 0.072 nan 8.250 nan 0.000 0.443 339 S N -0.011 115.716 115.700 0.044 0.000 2.368 339 S HA -0.219 4.252 4.470 0.003 0.000 0.226 339 S C 1.976 176.672 174.600 0.160 0.000 1.044 339 S CA 2.133 60.398 58.200 0.108 0.000 1.062 339 S CB -0.496 62.744 63.200 0.067 0.000 0.931 339 S HN 0.438 nan 8.310 nan 0.000 0.440 340 A N 1.048 123.926 122.820 0.096 0.000 1.933 340 A HA 0.190 4.511 4.320 0.003 0.000 0.218 340 A C 2.436 180.073 177.584 0.088 0.000 1.175 340 A CA 1.929 54.015 52.037 0.081 0.000 0.628 340 A CB -1.262 17.766 19.000 0.047 0.000 0.814 340 A HN 0.795 nan 8.150 nan 0.000 0.444 341 A N -1.413 121.467 122.820 0.100 0.000 1.930 341 A HA 0.022 4.344 4.320 0.003 0.000 0.217 341 A C 1.996 179.663 177.584 0.138 0.000 1.175 341 A CA 1.444 53.539 52.037 0.097 0.000 0.627 341 A CB -0.645 18.408 19.000 0.088 0.000 0.815 341 A HN 0.631 nan 8.150 nan 0.000 0.443 342 F N 0.629 120.599 119.950 0.032 0.000 2.171 342 F HA -0.103 4.426 4.527 0.003 0.000 0.300 342 F C 1.841 177.670 175.800 0.048 0.000 1.090 342 F CA 1.458 59.484 58.000 0.043 0.000 1.293 342 F CB -0.179 38.852 39.000 0.051 0.000 1.013 342 F HN 0.175 nan 8.300 nan 0.000 0.486 343 I N -0.297 120.308 120.570 0.058 0.000 2.286 343 I HA -0.248 3.924 4.170 0.003 0.000 0.245 343 I C 2.385 178.462 176.117 -0.066 0.000 1.104 343 I CA 1.051 62.330 61.300 -0.035 0.000 1.397 343 I CB -0.568 37.468 38.000 0.059 0.000 1.072 343 I HN 0.124 nan 8.210 nan 0.000 0.417 344 Q N 1.393 121.182 119.800 -0.018 0.000 2.112 344 Q HA -0.171 4.171 4.340 0.003 0.000 0.206 344 Q C 2.156 178.126 176.000 -0.050 0.000 0.987 344 Q CA 2.255 58.046 55.803 -0.020 0.000 0.858 344 Q CB -0.942 27.800 28.738 0.006 0.000 0.905 344 Q HN 0.498 nan 8.270 nan 0.000 0.420 345 G N -0.018 108.736 108.800 -0.076 0.000 2.446 345 G HA2 -0.249 3.712 3.960 0.003 0.000 0.217 345 G HA3 -0.249 3.712 3.960 0.003 0.000 0.217 345 G C 1.233 176.049 174.900 -0.140 0.000 1.168 345 G CA 1.023 46.063 45.100 -0.098 0.000 0.771 345 G HN 0.372 nan 8.290 nan 0.000 0.551 346 L N 0.453 121.534 121.223 -0.237 0.000 2.046 346 L HA 0.048 4.390 4.340 0.003 0.000 0.208 346 L C 2.816 179.622 176.870 -0.107 0.000 1.077 346 L CA 1.078 55.796 54.840 -0.203 0.000 0.747 346 L CB -0.469 41.427 42.059 -0.271 0.000 0.896 346 L HN 0.225 nan 8.230 nan 0.000 0.432 347 I N -0.794 119.725 120.570 -0.085 0.000 2.202 347 I HA -0.287 3.885 4.170 0.003 0.000 0.242 347 I C 2.366 178.461 176.117 -0.036 0.000 1.091 347 I CA 1.550 62.821 61.300 -0.048 0.000 1.368 347 I CB -0.415 37.566 38.000 -0.031 0.000 1.058 347 I HN 0.411 nan 8.210 nan 0.000 0.410 348 D N 1.018 121.396 120.400 -0.037 0.000 2.097 348 D HA -0.292 4.350 4.640 0.003 0.000 0.195 348 D C 1.730 178.018 176.300 -0.019 0.000 0.989 348 D CA 2.112 56.099 54.000 -0.023 0.000 0.827 348 D CB -0.122 40.666 40.800 -0.020 0.000 0.966 348 D HN 0.382 nan 8.370 nan 0.000 0.456 349 D N -0.062 120.322 120.400 -0.026 0.000 2.123 349 D HA -0.140 4.502 4.640 0.003 0.000 0.196 349 D C 2.083 178.379 176.300 -0.006 0.000 0.992 349 D CA 2.157 56.150 54.000 -0.012 0.000 0.833 349 D CB -0.169 40.623 40.800 -0.014 0.000 0.954 349 D HN 0.248 nan 8.370 nan 0.000 0.455 350 A N 0.107 122.917 122.820 -0.017 0.000 1.877 350 A HA -0.114 4.208 4.320 0.003 0.000 0.216 350 A C 2.399 179.978 177.584 -0.009 0.000 1.186 350 A CA 1.310 53.338 52.037 -0.014 0.000 0.620 350 A CB -0.944 18.039 19.000 -0.028 0.000 0.822 350 A HN 0.381 nan 8.150 nan 0.000 0.443 351 L N -0.427 120.790 121.223 -0.010 0.000 2.046 351 L HA -0.212 4.130 4.340 0.003 0.000 0.208 351 L C 2.667 179.536 176.870 -0.001 0.000 1.077 351 L CA 1.814 56.650 54.840 -0.006 0.000 0.747 351 L CB -0.607 41.447 42.059 -0.008 0.000 0.896 351 L HN 0.703 nan 8.230 nan 0.000 0.432 352 E N 0.313 120.513 120.200 0.000 0.000 2.333 352 E HA -0.252 4.100 4.350 0.003 0.000 0.198 352 E C 1.115 177.720 176.600 0.009 0.000 1.007 352 E CA 1.252 57.654 56.400 0.004 0.000 0.845 352 E CB -0.052 29.651 29.700 0.005 0.000 0.766 352 E HN 0.415 nan 8.360 nan 0.000 0.507 353 N N -1.098 117.607 118.700 0.010 0.000 2.234 353 N HA 0.186 4.928 4.740 0.003 0.000 0.227 353 N C 0.157 175.675 175.510 0.013 0.000 1.151 353 N CA 0.601 53.660 53.050 0.015 0.000 0.865 353 N CB 1.315 39.816 38.487 0.023 0.000 1.066 353 N HN 0.285 nan 8.380 nan 0.000 0.515 354 G N -1.086 107.719 108.800 0.008 0.000 2.211 354 G HA2 -0.166 3.795 3.960 0.003 0.000 0.201 354 G HA3 -0.166 3.795 3.960 0.003 0.000 0.201 354 G C 0.314 175.216 174.900 0.003 0.000 0.997 354 G CA -0.169 44.935 45.100 0.007 0.000 0.652 354 G HN 0.523 nan 8.290 nan 0.000 0.500 355 A N 0.368 123.187 122.820 -0.001 0.000 2.507 355 A HA 0.572 4.894 4.320 0.003 0.000 0.235 355 A C 0.694 178.274 177.584 -0.007 0.000 1.070 355 A CA 1.516 53.548 52.037 -0.007 0.000 0.768 355 A CB 0.197 19.189 19.000 -0.014 0.000 1.011 355 A HN 0.868 nan 8.150 nan 0.000 0.502 356 T N 2.311 116.859 114.554 -0.009 0.000 2.749 356 T HA 0.422 4.774 4.350 0.003 0.000 0.287 356 T C -0.180 174.514 174.700 -0.010 0.000 0.970 356 T CA -0.163 61.932 62.100 -0.008 0.000 0.980 356 T CB 0.729 69.593 68.868 -0.008 0.000 0.924 356 T HN 0.531 nan 8.240 nan 0.000 0.456 357 L N 5.286 126.503 121.223 -0.009 0.000 2.295 357 L HA 0.331 4.673 4.340 0.003 0.000 0.288 357 L C 0.881 177.744 176.870 -0.011 0.000 1.079 357 L CA -0.154 54.681 54.840 -0.010 0.000 0.830 357 L CB -0.012 42.042 42.059 -0.009 0.000 1.200 357 L HN 0.714 nan 8.230 nan 0.000 0.438 358 L N 2.523 123.739 121.223 -0.012 0.000 2.162 358 L HA 0.158 4.499 4.340 0.003 0.000 0.205 358 L C 0.793 177.650 176.870 -0.022 0.000 1.086 358 L CA 0.611 55.442 54.840 -0.016 0.000 0.778 358 L CB -0.028 42.021 42.059 -0.016 0.000 0.928 358 L HN 0.670 nan 8.230 nan 0.000 0.446 359 S N -1.399 114.288 115.700 -0.022 0.000 2.543 359 S HA 0.535 5.007 4.470 0.003 0.000 0.271 359 S C -0.157 174.425 174.600 -0.029 0.000 1.148 359 S CA 0.069 58.248 58.200 -0.035 0.000 0.914 359 S CB 1.664 64.829 63.200 -0.059 0.000 1.096 359 S HN 0.473 nan 8.310 nan 0.000 0.471 360 G N 4.144 112.925 108.800 -0.032 0.000 2.374 360 G HA2 -0.243 3.719 3.960 0.003 0.000 0.289 360 G HA3 -0.243 3.719 3.960 0.003 0.000 0.289 360 G C -0.089 174.805 174.900 -0.011 0.000 1.004 360 G CA 0.501 45.584 45.100 -0.028 0.000 1.292 360 G HN 0.876 nan 8.290 nan 0.000 0.502 361 N N 0.009 118.704 118.700 -0.009 0.000 3.131 361 N HA 0.324 5.066 4.740 0.003 0.000 0.312 361 N C -0.090 175.418 175.510 -0.004 0.000 1.433 361 N CA -0.502 52.546 53.050 -0.003 0.000 1.141 361 N CB 0.004 38.488 38.487 -0.004 0.000 1.431 361 N HN 0.210 nan 8.380 nan 0.000 0.523 362 K N 1.096 121.494 120.400 -0.004 0.000 2.292 362 K HA 0.350 4.672 4.320 0.003 0.000 0.257 362 K C -0.881 175.719 176.600 0.001 0.000 0.940 362 K CA -0.534 55.750 56.287 -0.004 0.000 0.811 362 K CB 1.863 34.357 32.500 -0.009 0.000 1.120 362 K HN 0.226 nan 8.250 nan 0.000 0.428 363 R N 2.135 122.637 120.500 0.003 0.000 2.599 363 R HA 0.334 4.676 4.340 0.003 0.000 0.295 363 R C -1.000 175.304 176.300 0.006 0.000 0.963 363 R CA -0.459 55.645 56.100 0.007 0.000 0.883 363 R CB 1.151 31.457 30.300 0.010 0.000 1.171 363 R HN 0.585 nan 8.270 nan 0.000 0.450 364 Q N 3.361 123.166 119.800 0.008 0.000 2.907 364 Q HA 0.230 4.571 4.340 0.003 0.000 0.262 364 Q C 0.283 176.289 176.000 0.010 0.000 0.997 364 Q CA -0.034 55.774 55.803 0.007 0.000 0.797 364 Q CB 1.878 30.619 28.738 0.006 0.000 1.228 364 Q HN 1.082 nan 8.270 nan 0.000 0.466 365 G N 3.095 111.901 108.800 0.011 0.000 2.601 365 G HA2 -0.381 3.581 3.960 0.003 0.000 0.306 365 G HA3 -0.381 3.581 3.960 0.003 0.000 0.306 365 G C 0.583 175.492 174.900 0.014 0.000 1.172 365 G CA 0.493 45.600 45.100 0.012 0.000 0.966 365 G HN 0.525 nan 8.290 nan 0.000 0.542 366 N N 0.553 119.261 118.700 0.014 0.000 2.280 366 N HA 0.257 4.999 4.740 0.003 0.000 0.192 366 N C 0.392 175.913 175.510 0.018 0.000 1.109 366 N CA 0.239 53.298 53.050 0.016 0.000 0.855 366 N CB 0.332 38.826 38.487 0.012 0.000 0.974 366 N HN 0.455 nan 8.380 nan 0.000 0.482 367 L N 1.986 123.219 121.223 0.017 0.000 2.261 367 L HA 0.340 4.681 4.340 0.003 0.000 0.289 367 L C -0.826 176.052 176.870 0.015 0.000 1.059 367 L CA -0.169 54.681 54.840 0.017 0.000 0.816 367 L CB 0.426 42.494 42.059 0.015 0.000 1.191 367 L HN -0.130 nan 8.230 nan 0.000 0.431 368 L N 4.231 125.464 121.223 0.018 0.000 2.322 368 L HA 0.481 4.823 4.340 0.003 0.000 0.281 368 L C 0.048 176.928 176.870 0.017 0.000 1.014 368 L CA -0.139 54.714 54.840 0.020 0.000 0.815 368 L CB 1.847 43.924 42.059 0.030 0.000 1.247 368 L HN 0.644 nan 8.230 nan 0.000 0.421 369 S N 6.142 121.846 115.700 0.007 0.000 2.549 369 S HA 0.216 4.688 4.470 0.003 0.000 0.279 369 S C -2.227 172.373 174.600 -0.001 0.000 1.321 369 S CA -0.785 57.409 58.200 -0.011 0.000 1.054 369 S CB 0.575 63.763 63.200 -0.020 0.000 0.899 369 S HN 0.413 nan 8.310 nan 0.000 0.497 370 P HA 0.014 nan 4.420 nan 0.000 0.260 370 P C -0.729 176.563 177.300 -0.012 0.000 1.185 370 P CA 0.099 63.164 63.100 -0.057 0.000 0.763 370 P CB 0.007 31.440 31.700 -0.445 0.000 0.776 371 T N 4.922 119.562 114.554 0.143 0.000 2.772 371 T HA 0.379 4.731 4.350 0.003 0.000 0.288 371 T C -0.146 174.641 174.700 0.145 0.000 0.994 371 T CA -0.353 61.803 62.100 0.092 0.000 0.951 371 T CB 0.528 69.434 68.868 0.062 0.000 0.933 371 T HN 0.217 nan 8.240 nan 0.000 0.447 372 L N 5.749 127.018 121.223 0.077 0.000 2.287 372 L HA 0.628 4.970 4.340 0.003 0.000 0.287 372 L C -1.318 175.566 176.870 0.023 0.000 1.022 372 L CA -0.443 54.443 54.840 0.077 0.000 0.814 372 L CB 0.480 42.567 42.059 0.047 0.000 1.217 372 L HN 0.571 nan 8.230 nan 0.000 0.420 373 L N 4.459 125.686 121.223 0.007 0.000 2.329 373 L HA 0.576 4.918 4.340 0.003 0.000 0.279 373 L C -0.657 176.196 176.870 -0.027 0.000 1.014 373 L CA -0.678 54.152 54.840 -0.016 0.000 0.814 373 L CB 1.780 43.822 42.059 -0.028 0.000 1.257 373 L HN 0.559 nan 8.230 nan 0.000 0.424 374 D N 1.094 121.480 120.400 -0.023 0.000 2.340 374 D HA 0.219 4.861 4.640 0.003 0.000 0.243 374 D C -0.210 176.077 176.300 -0.022 0.000 0.988 374 D CA -0.039 53.946 54.000 -0.025 0.000 0.959 374 D CB 1.502 42.291 40.800 -0.017 0.000 1.226 374 D HN 0.548 nan 8.370 nan 0.000 0.509 375 D N -0.045 120.345 120.400 -0.017 0.000 2.945 375 D HA -0.133 4.509 4.640 0.003 0.000 0.225 375 D C -0.252 176.041 176.300 -0.011 0.000 1.158 375 D CA 0.356 54.352 54.000 -0.007 0.000 0.805 375 D CB -1.410 39.388 40.800 -0.002 0.000 1.098 375 D HN 0.073 nan 8.370 nan 0.000 0.426 376 V N 0.491 120.387 119.914 -0.030 0.000 2.811 376 V HA 0.405 4.527 4.120 0.003 0.000 0.302 376 V C 1.278 177.358 176.094 -0.024 0.000 1.063 376 V CA 0.794 63.069 62.300 -0.043 0.000 1.088 376 V CB 1.724 33.495 31.823 -0.088 0.000 0.982 376 V HN 0.408 nan 8.190 nan 0.000 0.485 377 T N 1.964 116.511 114.554 -0.010 0.000 2.907 377 T HA 0.479 4.831 4.350 0.003 0.000 0.290 377 T C -2.218 172.511 174.700 0.049 0.000 1.066 377 T CA -2.014 60.105 62.100 0.030 0.000 1.012 377 T CB 2.030 70.929 68.868 0.052 0.000 1.184 377 T HN 0.352 nan 8.240 nan 0.000 0.522 378 P HA 0.055 nan 4.420 nan 0.000 0.220 378 P C 1.119 178.666 177.300 0.413 0.000 1.144 378 P CA 1.071 64.380 63.100 0.348 0.000 0.800 378 P CB -0.199 31.715 31.700 0.358 0.000 0.772 379 A N -2.055 120.899 122.820 0.222 0.000 2.251 379 A HA 0.135 4.457 4.320 0.003 0.000 0.209 379 A C 1.012 178.691 177.584 0.159 0.000 1.187 379 A CA 0.311 52.455 52.037 0.178 0.000 0.823 379 A CB -0.707 18.358 19.000 0.109 0.000 0.846 379 A HN 0.140 nan 8.150 nan 0.000 0.486 380 M N -0.655 119.033 119.600 0.146 0.000 2.300 380 M HA 0.342 4.824 4.480 0.003 0.000 0.348 380 M C 0.848 177.233 176.300 0.142 0.000 1.151 380 M CA -0.494 54.863 55.300 0.094 0.000 1.046 380 M CB 1.469 34.082 32.600 0.022 0.000 1.647 380 M HN 0.159 nan 8.290 nan 0.000 0.451 381 R N 0.840 121.415 120.500 0.125 0.000 2.105 381 R HA -0.115 4.227 4.340 0.003 0.000 0.239 381 R C 1.834 178.199 176.300 0.108 0.000 1.135 381 R CA 1.152 57.348 56.100 0.160 0.000 0.967 381 R CB -0.329 30.016 30.300 0.074 0.000 0.861 381 R HN 0.588 nan 8.270 nan 0.000 0.442 382 V N 0.913 120.826 119.914 -0.001 0.000 3.078 382 V HA -0.094 4.028 4.120 0.003 0.000 0.265 382 V C 1.912 177.926 176.094 -0.133 0.000 1.122 382 V CA 1.452 63.719 62.300 -0.056 0.000 1.141 382 V CB -0.199 31.577 31.823 -0.079 0.000 0.735 382 V HN 0.405 nan 8.190 nan 0.000 0.498 383 A N -1.623 121.051 122.820 -0.243 0.000 2.119 383 A HA -0.112 4.210 4.320 0.003 0.000 0.217 383 A C 1.692 178.817 177.584 -0.766 0.000 1.153 383 A CA 1.563 53.241 52.037 -0.598 0.000 0.692 383 A CB -0.424 18.093 19.000 -0.805 0.000 0.799 383 A HN 0.795 nan 8.150 nan 0.000 0.458 384 W N -0.934 120.425 121.300 0.098 0.000 3.520 384 W HA 0.251 4.914 4.660 0.004 0.000 0.223 384 W C 0.273 176.918 176.519 0.211 0.000 1.110 384 W CA -0.403 57.034 57.345 0.154 0.000 1.552 384 W CB 0.399 29.939 29.460 0.133 0.000 0.775 384 W HN 0.022 nan 8.180 nan 0.000 0.794 385 E N 2.223 122.656 120.200 0.388 0.000 2.283 385 E HA 0.103 4.455 4.350 0.003 0.000 0.278 385 E C -0.389 176.386 176.600 0.291 0.000 1.027 385 E CA -0.390 56.237 56.400 0.379 0.000 0.843 385 E CB 1.312 31.210 29.700 0.330 0.000 1.062 385 E HN -0.019 nan 8.360 nan 0.000 0.401 386 E N 3.947 124.336 120.200 0.316 0.000 2.351 386 E HA 0.001 4.353 4.350 0.003 0.000 0.266 386 E C -1.817 174.993 176.600 0.349 0.000 1.031 386 E CA -1.483 55.043 56.400 0.210 0.000 0.911 386 E CB 0.699 30.455 29.700 0.093 0.000 0.986 386 E HN 0.236 nan 8.360 nan 0.000 0.446 387 P HA 0.085 nan 4.420 nan 0.000 0.220 387 P C -0.351 177.201 177.300 0.420 0.000 1.154 387 P CA -0.003 63.271 63.100 0.290 0.000 0.837 387 P CB 0.203 31.955 31.700 0.087 0.000 0.815 388 F N -0.483 119.529 119.950 0.103 0.000 3.039 388 F HA -0.080 4.450 4.527 0.004 0.000 0.287 388 F C 0.552 176.387 175.800 0.058 0.000 0.956 388 F CA 1.011 59.057 58.000 0.078 0.000 0.971 388 F CB -1.369 37.707 39.000 0.127 0.000 0.943 388 F HN 0.104 nan 8.300 nan 0.000 0.766 389 G N -0.484 108.321 108.800 0.008 0.000 2.523 389 G HA2 0.560 4.522 3.960 0.003 0.000 0.291 389 G HA3 0.560 4.522 3.960 0.003 0.000 0.291 389 G C -3.236 171.639 174.900 -0.042 0.000 1.450 389 G CA -0.936 44.159 45.100 -0.008 0.000 0.790 389 G HN -0.215 nan 8.290 nan 0.000 0.496 390 P HA 0.324 nan 4.420 nan 0.000 0.235 390 P C -0.494 176.928 177.300 0.203 0.000 1.765 390 P CA -0.031 63.158 63.100 0.147 0.000 1.034 390 P CB 0.545 32.379 31.700 0.223 0.000 1.984 391 V N 3.612 123.528 119.914 0.003 0.000 2.686 391 V HA 0.603 4.725 4.120 0.003 0.000 0.306 391 V C -1.576 174.430 176.094 -0.146 0.000 1.065 391 V CA -1.153 61.155 62.300 0.014 0.000 0.894 391 V CB 2.447 34.267 31.823 -0.005 0.000 1.004 391 V HN 0.043 nan 8.190 nan 0.000 0.424 392 L N 9.621 130.802 121.223 -0.070 0.000 2.406 392 L HA 0.864 5.206 4.340 0.003 0.000 0.272 392 L C -2.756 174.066 176.870 -0.080 0.000 0.980 392 L CA -1.526 53.226 54.840 -0.145 0.000 0.831 392 L CB 2.691 44.645 42.059 -0.174 0.000 1.253 392 L HN 0.503 nan 8.230 nan 0.000 0.406 393 P HA 0.396 nan 4.420 nan 0.000 0.300 393 P C -1.236 175.960 177.300 -0.173 0.000 1.326 393 P CA -0.397 62.620 63.100 -0.139 0.000 0.844 393 P CB 1.665 33.260 31.700 -0.175 0.000 0.992 394 I N 4.605 125.100 120.570 -0.125 0.000 2.339 394 I HA 0.389 4.561 4.170 0.003 0.000 0.290 394 I C 0.532 176.584 176.117 -0.109 0.000 0.994 394 I CA -0.773 60.452 61.300 -0.124 0.000 1.191 394 I CB 0.942 38.900 38.000 -0.070 0.000 1.343 394 I HN 0.244 nan 8.210 nan 0.000 0.458 395 I N 6.315 126.807 120.570 -0.129 0.000 2.354 395 I HA 0.362 4.534 4.170 0.003 0.000 0.292 395 I C 0.427 176.586 176.117 0.071 0.000 0.989 395 I CA -0.464 60.823 61.300 -0.022 0.000 1.188 395 I CB 1.222 39.227 38.000 0.009 0.000 1.342 395 I HN 0.399 nan 8.210 nan 0.000 0.457 396 R N 4.621 125.161 120.500 0.067 0.000 2.297 396 R HA 0.728 5.070 4.340 0.003 0.000 0.308 396 R C -1.091 175.264 176.300 0.092 0.000 1.029 396 R CA -0.563 55.579 56.100 0.070 0.000 0.929 396 R CB 1.652 31.976 30.300 0.039 0.000 1.046 396 R HN 0.344 nan 8.270 nan 0.000 0.461 397 V N 2.703 122.671 119.914 0.091 0.000 2.925 397 V HA 0.130 4.252 4.120 0.003 0.000 0.311 397 V C 0.843 176.964 176.094 0.045 0.000 1.104 397 V CA -0.749 61.595 62.300 0.074 0.000 0.954 397 V CB 2.148 34.031 31.823 0.100 0.000 1.022 397 V HN 0.792 nan 8.190 nan 0.000 0.427 398 K N 1.368 121.784 120.400 0.026 0.000 2.026 398 K HA -0.089 4.233 4.320 0.003 0.000 0.208 398 K C 0.202 176.813 176.600 0.019 0.000 1.048 398 K CA 2.184 58.483 56.287 0.019 0.000 0.929 398 K CB 0.229 32.735 32.500 0.010 0.000 0.713 398 K HN 0.955 nan 8.250 nan 0.000 0.439 399 D N -4.233 116.175 120.400 0.012 0.000 2.713 399 D HA 0.148 4.790 4.640 0.003 0.000 0.306 399 D C 0.248 176.551 176.300 0.006 0.000 1.299 399 D CA -0.031 53.977 54.000 0.013 0.000 0.823 399 D CB 0.340 41.144 40.800 0.007 0.000 1.353 399 D HN -0.070 nan 8.370 nan 0.000 0.447 400 A N 0.395 123.224 122.820 0.014 0.000 1.903 400 A HA -0.294 4.028 4.320 0.003 0.000 0.219 400 A C 1.657 179.231 177.584 -0.017 0.000 1.191 400 A CA 2.158 54.203 52.037 0.013 0.000 0.638 400 A CB -1.248 17.767 19.000 0.025 0.000 0.823 400 A HN 0.640 nan 8.150 nan 0.000 0.451 401 N N -0.951 117.734 118.700 -0.025 0.000 2.104 401 N HA -0.210 4.532 4.740 0.003 0.000 0.190 401 N C 1.927 177.395 175.510 -0.070 0.000 1.024 401 N CA 1.601 54.623 53.050 -0.047 0.000 0.853 401 N CB -0.186 38.276 38.487 -0.041 0.000 1.008 401 N HN 0.742 nan 8.380 nan 0.000 0.424 402 E N 0.869 121.028 120.200 -0.069 0.000 2.107 402 E HA -0.082 4.270 4.350 0.003 0.000 0.191 402 E C 2.003 178.471 176.600 -0.220 0.000 0.982 402 E CA 0.623 56.961 56.400 -0.104 0.000 0.809 402 E CB 0.034 29.695 29.700 -0.065 0.000 0.756 402 E HN 0.294 nan 8.360 nan 0.000 0.459 403 A N 1.200 123.893 122.820 -0.212 0.000 1.883 403 A HA -0.210 4.112 4.320 0.003 0.000 0.217 403 A C 2.122 179.490 177.584 -0.361 0.000 1.186 403 A CA 1.462 53.279 52.037 -0.368 0.000 0.624 403 A CB -0.683 18.266 19.000 -0.086 0.000 0.822 403 A HN 0.299 nan 8.150 nan 0.000 0.444 404 I N -0.832 119.644 120.570 -0.156 0.000 2.179 404 I HA -0.223 3.949 4.170 0.003 0.000 0.242 404 I C 2.853 178.916 176.117 -0.091 0.000 1.088 404 I CA 1.555 62.808 61.300 -0.079 0.000 1.357 404 I CB -0.282 37.702 38.000 -0.027 0.000 1.051 404 I HN 0.417 nan 8.210 nan 0.000 0.409 405 S N 0.897 116.531 115.700 -0.110 0.000 2.368 405 S HA -0.131 4.340 4.470 0.003 0.000 0.225 405 S C 2.052 176.626 174.600 -0.043 0.000 1.030 405 S CA 1.357 59.518 58.200 -0.065 0.000 0.999 405 S CB -0.291 62.874 63.200 -0.058 0.000 0.844 405 S HN 0.329 nan 8.310 nan 0.000 0.459 406 L N 0.804 121.920 121.223 -0.178 0.000 2.156 406 L HA -0.014 4.328 4.340 0.003 0.000 0.208 406 L C 2.752 179.639 176.870 0.028 0.000 1.095 406 L CA 0.969 55.735 54.840 -0.123 0.000 0.770 406 L CB -0.534 41.214 42.059 -0.517 0.000 0.914 406 L HN 0.282 nan 8.230 nan 0.000 0.439 407 S N 0.307 115.935 115.700 -0.119 0.000 2.351 407 S HA -0.160 4.312 4.470 0.003 0.000 0.220 407 S C 1.691 176.422 174.600 0.219 0.000 1.035 407 S CA 1.581 59.891 58.200 0.183 0.000 1.031 407 S CB -0.344 62.936 63.200 0.134 0.000 0.928 407 S HN 0.462 nan 8.310 nan 0.000 0.433 408 N N 1.376 120.154 118.700 0.130 0.000 2.381 408 N HA -0.031 4.711 4.740 0.003 0.000 0.182 408 N C 1.583 177.167 175.510 0.123 0.000 1.025 408 N CA 0.529 53.648 53.050 0.116 0.000 0.888 408 N CB -0.343 38.182 38.487 0.064 0.000 0.965 408 N HN 0.526 nan 8.380 nan 0.000 0.438 409 Q N 0.201 120.102 119.800 0.170 0.000 2.364 409 Q HA -0.002 4.340 4.340 0.003 0.000 0.209 409 Q C 0.489 176.551 176.000 0.104 0.000 0.977 409 Q CA 0.288 56.163 55.803 0.120 0.000 0.885 409 Q CB 0.023 28.870 28.738 0.181 0.000 0.941 409 Q HN 0.152 nan 8.270 nan 0.000 0.464 410 S N 0.732 116.667 115.700 0.392 0.000 2.572 410 S HA -0.047 4.425 4.470 0.003 0.000 0.279 410 S C 0.633 175.306 174.600 0.121 0.000 1.341 410 S CA -0.623 57.809 58.200 0.386 0.000 1.043 410 S CB 0.657 64.172 63.200 0.526 0.000 0.887 410 S HN 0.169 nan 8.310 nan 0.000 0.516 411 D N 2.126 122.513 120.400 -0.022 0.000 2.219 411 D HA -0.061 4.581 4.640 0.003 0.000 0.205 411 D C 0.112 176.301 176.300 -0.184 0.000 0.970 411 D CA 1.174 55.061 54.000 -0.190 0.000 0.851 411 D CB -0.231 40.337 40.800 -0.387 0.000 0.943 411 D HN 0.604 nan 8.370 nan 0.000 0.488 412 Y N 0.330 120.710 120.300 0.133 0.000 2.301 412 Y HA 0.451 5.003 4.550 0.003 0.000 0.328 412 Y C 1.516 177.481 175.900 0.109 0.000 1.242 412 Y CA -0.273 57.900 58.100 0.122 0.000 1.323 412 Y CB 1.419 39.967 38.460 0.146 0.000 1.266 412 Y HN -0.160 nan 8.280 nan 0.000 0.527 413 G N 2.255 111.211 108.800 0.259 0.000 4.613 413 G HA2 0.299 4.261 3.960 0.003 0.000 0.232 413 G HA3 0.299 4.261 3.960 0.003 0.000 0.232 413 G C -0.305 174.656 174.900 0.102 0.000 0.947 413 G CA -0.152 45.039 45.100 0.152 0.000 0.715 413 G HN 0.513 nan 8.290 nan 0.000 0.518 414 L N -0.141 121.152 121.223 0.117 0.000 2.255 414 L HA 0.565 4.907 4.340 0.003 0.000 0.196 414 L C 0.944 177.838 176.870 0.039 0.000 1.202 414 L CA 1.543 56.413 54.840 0.050 0.000 0.819 414 L CB -0.554 41.557 42.059 0.088 0.000 1.006 414 L HN 0.353 nan 8.230 nan 0.000 0.480 415 Q N -1.721 118.139 119.800 0.100 0.000 2.605 415 Q HA 0.731 5.072 4.340 0.003 0.000 0.296 415 Q C -1.614 174.470 176.000 0.140 0.000 1.056 415 Q CA -0.699 55.183 55.803 0.131 0.000 0.778 415 Q CB 2.431 31.306 28.738 0.229 0.000 1.497 415 Q HN 0.417 nan 8.270 nan 0.000 0.443 416 A N 0.411 123.323 122.820 0.153 0.000 2.587 416 A HA 0.794 5.116 4.320 0.003 0.000 0.293 416 A C -1.354 176.315 177.584 0.141 0.000 1.087 416 A CA -0.532 51.589 52.037 0.140 0.000 0.692 416 A CB 2.122 21.193 19.000 0.118 0.000 1.291 416 A HN 0.452 nan 8.150 nan 0.000 0.407 417 S N 0.617 116.385 115.700 0.112 0.000 2.513 417 S HA 0.732 5.204 4.470 0.003 0.000 0.299 417 S C -0.817 173.743 174.600 -0.067 0.000 1.087 417 S CA -0.468 57.727 58.200 -0.009 0.000 1.012 417 S CB 1.028 64.244 63.200 0.027 0.000 1.044 417 S HN 0.502 nan 8.310 nan 0.000 0.485 418 I N 2.854 123.262 120.570 -0.270 0.000 2.418 418 I HA 0.421 4.593 4.170 0.003 0.000 0.287 418 I C -1.326 174.581 176.117 -0.350 0.000 1.008 418 I CA -0.595 60.613 61.300 -0.153 0.000 1.104 418 I CB 0.866 38.831 38.000 -0.060 0.000 1.264 418 I HN 0.513 nan 8.210 nan 0.000 0.438 419 F N 4.073 124.058 119.950 0.059 0.000 2.375 419 F HA 0.606 5.134 4.527 0.001 0.000 0.361 419 F C 0.610 176.436 175.800 0.042 0.000 1.117 419 F CA -0.469 57.559 58.000 0.048 0.000 1.037 419 F CB 1.855 40.881 39.000 0.043 0.000 1.192 419 F HN 0.466 nan 8.300 nan 0.000 0.452 420 T N 1.906 116.554 114.554 0.156 0.000 2.977 420 T HA 0.191 4.543 4.350 0.003 0.000 0.345 420 T C 0.184 174.928 174.700 0.073 0.000 1.562 420 T CA -0.878 61.285 62.100 0.105 0.000 1.090 420 T CB 1.297 70.210 68.868 0.075 0.000 1.383 420 T HN 0.533 nan 8.240 nan 0.000 0.484 421 K N 1.256 121.694 120.400 0.064 0.000 2.432 421 K HA 0.043 4.365 4.320 0.003 0.000 0.196 421 K C 0.303 176.923 176.600 0.033 0.000 1.038 421 K CA 0.138 56.454 56.287 0.047 0.000 0.986 421 K CB 0.013 32.539 32.500 0.044 0.000 0.782 421 K HN 0.520 nan 8.250 nan 0.000 0.485 422 D N 1.944 122.363 120.400 0.032 0.000 2.470 422 D HA 0.038 4.680 4.640 0.003 0.000 0.226 422 D C 0.512 176.820 176.300 0.015 0.000 1.196 422 D CA 0.178 54.192 54.000 0.023 0.000 0.979 422 D CB 0.692 41.507 40.800 0.024 0.000 1.059 422 D HN -0.074 nan 8.370 nan 0.000 0.515 423 T N 1.951 116.511 114.554 0.009 0.000 2.720 423 T HA -0.159 4.193 4.350 0.003 0.000 0.268 423 T C 1.116 175.812 174.700 -0.007 0.000 1.037 423 T CA 1.083 63.182 62.100 -0.002 0.000 1.144 423 T CB 0.119 68.986 68.868 -0.002 0.000 0.864 423 T HN 0.405 nan 8.240 nan 0.000 0.444 424 D N 0.466 120.865 120.400 -0.002 0.000 2.097 424 D HA -0.070 4.572 4.640 0.003 0.000 0.195 424 D C 2.266 178.565 176.300 -0.002 0.000 0.989 424 D CA 0.999 54.996 54.000 -0.005 0.000 0.827 424 D CB -0.294 40.505 40.800 -0.001 0.000 0.966 424 D HN 0.317 nan 8.370 nan 0.000 0.456 425 R N 0.648 121.152 120.500 0.007 0.000 2.092 425 R HA -0.056 4.286 4.340 0.003 0.000 0.231 425 R C 2.125 178.432 176.300 0.012 0.000 1.119 425 R CA 1.330 57.438 56.100 0.015 0.000 0.970 425 R CB -0.099 30.214 30.300 0.023 0.000 0.864 425 R HN 0.090 nan 8.270 nan 0.000 0.440 426 A N 1.019 123.841 122.820 0.003 0.000 1.877 426 A HA -0.143 4.179 4.320 0.003 0.000 0.216 426 A C 2.135 179.707 177.584 -0.021 0.000 1.186 426 A CA 1.449 53.482 52.037 -0.007 0.000 0.620 426 A CB -0.525 18.462 19.000 -0.022 0.000 0.822 426 A HN 0.357 nan 8.150 nan 0.000 0.443 427 I N 0.239 120.792 120.570 -0.029 0.000 2.163 427 I HA -0.293 3.879 4.170 0.003 0.000 0.243 427 I C 2.026 178.112 176.117 -0.051 0.000 1.085 427 I CA 1.397 62.669 61.300 -0.046 0.000 1.347 427 I CB -0.509 37.463 38.000 -0.047 0.000 1.044 427 I HN 0.328 nan 8.210 nan 0.000 0.408 428 N N 0.996 119.675 118.700 -0.035 0.000 2.166 428 N HA -0.112 4.630 4.740 0.003 0.000 0.186 428 N C 1.871 177.373 175.510 -0.014 0.000 1.019 428 N CA 1.332 54.358 53.050 -0.040 0.000 0.856 428 N CB -0.307 38.180 38.487 0.000 0.000 0.993 428 N HN 0.388 nan 8.380 nan 0.000 0.426 429 I N 0.626 121.212 120.570 0.027 0.000 2.252 429 I HA -0.130 4.042 4.170 0.003 0.000 0.245 429 I C 2.438 178.578 176.117 0.038 0.000 1.102 429 I CA 1.072 62.413 61.300 0.068 0.000 1.385 429 I CB -0.642 37.391 38.000 0.056 0.000 1.064 429 I HN 0.125 nan 8.210 nan 0.000 0.414 430 G N 1.086 109.880 108.800 -0.009 0.000 2.469 430 G HA2 -0.361 3.601 3.960 0.003 0.000 0.219 430 G HA3 -0.361 3.601 3.960 0.003 0.000 0.219 430 G C 1.643 176.511 174.900 -0.053 0.000 1.150 430 G CA 1.192 46.275 45.100 -0.028 0.000 0.763 430 G HN 0.246 nan 8.290 nan 0.000 0.561 431 K N 0.039 120.369 120.400 -0.117 0.000 2.280 431 K HA -0.109 4.213 4.320 0.003 0.000 0.202 431 K C 1.887 178.355 176.600 -0.221 0.000 1.047 431 K CA 1.019 57.188 56.287 -0.197 0.000 0.942 431 K CB -0.217 32.113 32.500 -0.284 0.000 0.739 431 K HN 0.413 nan 8.250 nan 0.000 0.457 432 H N -0.491 118.574 119.070 -0.008 0.000 2.539 432 H HA 0.178 4.736 4.556 0.003 0.000 0.269 432 H C -0.241 175.090 175.328 0.004 0.000 0.980 432 H CA 0.096 56.142 56.048 -0.004 0.000 1.152 432 H CB 0.112 29.871 29.762 -0.005 0.000 1.407 432 H HN 0.093 nan 8.280 nan 0.000 0.564 433 L N 1.746 123.026 121.223 0.094 0.000 2.292 433 L HA 0.183 4.525 4.340 0.003 0.000 0.284 433 L C 0.245 177.148 176.870 0.055 0.000 1.065 433 L CA -0.230 54.656 54.840 0.076 0.000 0.806 433 L CB 1.288 43.388 42.059 0.069 0.000 1.175 433 L HN -0.011 nan 8.230 nan 0.000 0.431 434 E N 3.926 124.165 120.200 0.065 0.000 1.932 434 E HA 0.310 4.662 4.350 0.003 0.000 0.259 434 E C -0.657 175.975 176.600 0.054 0.000 1.099 434 E CA -0.232 56.198 56.400 0.050 0.000 0.970 434 E CB 0.727 30.458 29.700 0.053 0.000 1.143 434 E HN 0.410 nan 8.360 nan 0.000 0.441 435 V N -1.743 118.191 119.914 0.033 0.000 3.188 435 V HA 0.672 4.793 4.120 0.003 0.000 0.305 435 V C 0.920 177.004 176.094 -0.017 0.000 1.232 435 V CA -0.531 61.785 62.300 0.027 0.000 1.043 435 V CB 1.354 33.208 31.823 0.052 0.000 1.068 435 V HN 0.381 nan 8.190 nan 0.000 0.439 436 G N 0.767 109.539 108.800 -0.047 0.000 2.414 436 G HA2 0.226 4.188 3.960 0.003 0.000 0.215 436 G HA3 0.226 4.188 3.960 0.003 0.000 0.215 436 G C 0.541 175.385 174.900 -0.094 0.000 1.188 436 G CA 1.294 46.338 45.100 -0.092 0.000 0.783 436 G HN 0.980 nan 8.290 nan 0.000 0.537 437 T N -0.050 114.457 114.554 -0.079 0.000 2.879 437 T HA 0.532 4.884 4.350 0.003 0.000 0.290 437 T C -1.036 173.596 174.700 -0.114 0.000 0.993 437 T CA -0.436 61.588 62.100 -0.127 0.000 0.975 437 T CB 2.717 71.517 68.868 -0.114 0.000 0.981 437 T HN -0.035 nan 8.240 nan 0.000 0.439 438 V N 4.452 124.257 119.914 -0.182 0.000 2.417 438 V HA 0.371 4.493 4.120 0.003 0.000 0.291 438 V C -0.320 175.621 176.094 -0.256 0.000 1.024 438 V CA -0.847 61.375 62.300 -0.130 0.000 0.861 438 V CB 1.099 32.872 31.823 -0.083 0.000 0.985 438 V HN 0.840 nan 8.190 nan 0.000 0.436 439 H N 5.161 124.196 119.070 -0.058 0.000 2.519 439 H HA 0.441 4.999 4.556 0.002 0.000 0.316 439 H C -0.624 174.598 175.328 -0.176 0.000 1.065 439 H CA -0.591 55.408 56.048 -0.082 0.000 1.264 439 H CB 1.933 31.662 29.762 -0.054 0.000 1.413 439 H HN 0.353 nan 8.280 nan 0.000 0.465 440 I N 3.645 124.172 120.570 -0.072 0.000 2.304 440 I HA -0.024 4.148 4.170 0.003 0.000 0.291 440 I C 0.712 176.713 176.117 -0.193 0.000 1.018 440 I CA -0.266 60.944 61.300 -0.150 0.000 1.260 440 I CB 0.453 38.400 38.000 -0.088 0.000 1.390 440 I HN 0.680 nan 8.210 nan 0.000 0.475 441 N N 3.968 122.410 118.700 -0.429 0.000 2.747 441 N HA -0.191 4.550 4.740 0.003 0.000 0.249 441 N C -0.302 175.124 175.510 -0.140 0.000 1.107 441 N CA 1.098 53.948 53.050 -0.333 0.000 0.707 441 N CB -0.468 38.001 38.487 -0.030 0.000 1.054 441 N HN 0.840 nan 8.380 nan 0.000 0.555 442 A N -0.629 122.026 122.820 -0.274 0.000 2.601 442 A HA 0.547 4.869 4.320 0.003 0.000 0.291 442 A C -0.290 177.298 177.584 0.007 0.000 1.075 442 A CA -0.803 51.248 52.037 0.022 0.000 0.671 442 A CB 1.182 20.211 19.000 0.049 0.000 1.277 442 A HN 0.203 nan 8.150 nan 0.000 0.417 443 K N 0.149 120.583 120.400 0.055 0.000 2.180 443 K HA 0.489 4.810 4.320 0.003 0.000 0.251 443 K C 0.211 176.629 176.600 -0.302 0.000 1.014 443 K CA 0.354 56.642 56.287 0.002 0.000 0.913 443 K CB 0.154 32.664 32.500 0.017 0.000 1.008 443 K HN 0.813 nan 8.250 nan 0.000 0.490 444 T N -0.801 113.618 114.554 -0.225 0.000 2.918 444 T HA 0.224 4.576 4.350 0.003 0.000 0.302 444 T C -0.298 174.237 174.700 -0.274 0.000 1.045 444 T CA -0.659 61.239 62.100 -0.337 0.000 1.114 444 T CB 0.494 69.373 68.868 0.019 0.000 0.965 444 T HN 0.822 nan 8.240 nan 0.000 0.540 445 E N 0.935 121.012 120.200 -0.205 0.000 2.388 445 E HA 0.291 4.643 4.350 0.003 0.000 0.281 445 E C 0.369 177.022 176.600 0.087 0.000 1.046 445 E CA -1.188 55.176 56.400 -0.059 0.000 0.825 445 E CB 1.199 30.830 29.700 -0.115 0.000 1.243 445 E HN 0.532 nan 8.360 nan 0.000 0.438 446 R N 1.952 122.403 120.500 -0.082 0.000 2.057 446 R HA 0.063 4.404 4.340 0.003 0.000 0.229 446 R C 0.955 177.178 176.300 -0.130 0.000 1.136 446 R CA 1.576 57.513 56.100 -0.270 0.000 0.952 446 R CB -0.530 29.312 30.300 -0.763 0.000 0.848 446 R HN 0.561 nan 8.270 nan 0.000 0.430 447 G N 1.105 109.799 108.800 -0.177 0.000 2.616 447 G HA2 0.269 4.231 3.960 0.003 0.000 0.268 447 G HA3 0.269 4.231 3.960 0.003 0.000 0.268 447 G C -2.393 172.378 174.900 -0.215 0.000 1.213 447 G CA -1.130 43.858 45.100 -0.187 0.000 0.926 447 G HN 0.219 nan 8.290 nan 0.000 0.523 448 P HA 0.143 nan 4.420 nan 0.000 0.271 448 P C -0.194 176.926 177.300 -0.299 0.000 1.218 448 P CA -0.248 62.608 63.100 -0.405 0.000 0.780 448 P CB 1.264 32.679 31.700 -0.476 0.000 0.901 449 D N 0.507 120.818 120.400 -0.148 0.000 2.348 449 D HA -0.122 4.520 4.640 0.003 0.000 0.216 449 D C 1.598 177.891 176.300 -0.012 0.000 0.970 449 D CA 0.948 54.887 54.000 -0.101 0.000 0.889 449 D CB -0.141 40.578 40.800 -0.134 0.000 0.912 449 D HN 0.616 nan 8.370 nan 0.000 0.524 450 H N -0.289 118.675 119.070 -0.178 0.000 2.529 450 H HA -0.037 4.520 4.556 0.002 0.000 0.277 450 H C 0.485 175.949 175.328 0.226 0.000 0.999 450 H CA -0.060 55.977 56.048 -0.019 0.000 1.256 450 H CB -0.689 29.036 29.762 -0.063 0.000 1.402 450 H HN -0.090 nan 8.280 nan 0.000 0.566 451 F N 3.535 123.236 119.950 -0.416 0.000 2.529 451 F HA 0.248 4.776 4.527 0.002 0.000 0.365 451 F C -1.750 174.012 175.800 -0.065 0.000 1.102 451 F CA -3.160 54.675 58.000 -0.274 0.000 1.271 451 F CB 0.197 39.073 39.000 -0.207 0.000 1.120 451 F HN 0.062 nan 8.300 nan 0.000 0.579 452 P HA 0.061 nan 4.420 nan 0.000 0.269 452 P C -0.955 176.451 177.300 0.176 0.000 1.209 452 P CA 0.134 63.296 63.100 0.103 0.000 0.776 452 P CB 0.348 32.057 31.700 0.016 0.000 0.876 453 F N 4.976 124.945 119.950 0.032 0.000 2.539 453 F HA 0.672 5.201 4.527 0.003 0.000 0.318 453 F C -1.342 174.477 175.800 0.031 0.000 1.135 453 F CA -0.785 57.236 58.000 0.035 0.000 0.915 453 F CB 1.045 40.064 39.000 0.031 0.000 1.176 453 F HN 0.249 nan 8.300 nan 0.000 0.440 454 L N 3.541 124.299 121.223 -0.774 0.000 2.710 454 L HA 1.004 5.346 4.340 0.003 0.000 0.260 454 L C -1.321 175.246 176.870 -0.504 0.000 0.993 454 L CA -0.953 53.571 54.840 -0.527 0.000 0.877 454 L CB 1.793 43.729 42.059 -0.204 0.000 1.461 454 L HN 0.805 nan 8.230 nan 0.000 0.413 455 G N 0.716 109.339 108.800 -0.295 0.000 2.481 455 G HA2 0.705 4.667 3.960 0.003 0.000 0.315 455 G HA3 0.705 4.667 3.960 0.003 0.000 0.315 455 G C -0.519 174.351 174.900 -0.050 0.000 1.231 455 G CA -0.352 44.665 45.100 -0.138 0.000 0.968 455 G HN 1.033 nan 8.290 nan 0.000 0.482 456 V N -0.802 119.106 119.914 -0.010 0.000 3.369 456 V HA 0.745 4.866 4.120 0.003 0.000 0.301 456 V C 1.099 177.216 176.094 0.039 0.000 1.184 456 V CA -0.477 61.829 62.300 0.010 0.000 1.013 456 V CB 0.871 32.696 31.823 0.002 0.000 1.230 456 V HN 1.044 nan 8.190 nan 0.000 0.464 457 K N -0.929 119.487 120.400 0.027 0.000 1.721 457 K HA -0.240 4.082 4.320 0.003 0.000 0.121 457 K C 1.261 177.875 176.600 0.025 0.000 1.152 457 K CA 1.987 58.286 56.287 0.019 0.000 0.360 457 K CB -1.238 31.273 32.500 0.019 0.000 0.626 457 K HN 0.766 nan 8.250 nan 0.000 0.878 458 K N 1.091 121.496 120.400 0.008 0.000 2.459 458 K HA 0.105 4.427 4.320 0.003 0.000 0.193 458 K C 1.769 178.465 176.600 0.159 0.000 1.030 458 K CA 0.810 57.100 56.287 0.006 0.000 1.026 458 K CB 0.263 32.651 32.500 -0.187 0.000 0.809 458 K HN 0.283 nan 8.250 nan 0.000 0.504 459 S N 0.287 116.114 115.700 0.213 0.000 2.522 459 S HA 0.098 4.570 4.470 0.003 0.000 0.227 459 S C 0.927 175.614 174.600 0.146 0.000 0.986 459 S CA 0.594 58.941 58.200 0.246 0.000 0.929 459 S CB 0.261 63.583 63.200 0.204 0.000 0.769 459 S HN 0.548 nan 8.310 nan 0.000 0.529 460 G N -0.088 108.775 108.800 0.105 0.000 2.320 460 G HA2 0.454 4.416 3.960 0.003 0.000 0.297 460 G HA3 0.454 4.416 3.960 0.003 0.000 0.297 460 G C -2.359 172.574 174.900 0.055 0.000 1.344 460 G CA -0.884 44.264 45.100 0.081 0.000 0.851 460 G HN 0.190 nan 8.290 nan 0.000 0.567 461 L N 0.060 121.317 121.223 0.058 0.000 2.513 461 L HA 0.659 5.000 4.340 0.003 0.000 0.261 461 L C 0.747 177.644 176.870 0.045 0.000 0.945 461 L CA 0.809 55.677 54.840 0.045 0.000 0.848 461 L CB 1.828 43.920 42.059 0.054 0.000 1.334 461 L HN 2.576 nan 8.230 nan 0.000 0.407 462 G N 2.522 111.339 108.800 0.029 0.000 2.692 462 G HA2 -0.109 3.853 3.960 0.003 0.000 0.248 462 G HA3 -0.109 3.853 3.960 0.003 0.000 0.248 462 G C -1.123 173.789 174.900 0.019 0.000 1.340 462 G CA -0.318 44.799 45.100 0.029 0.000 0.896 462 G HN 0.937 nan 8.290 nan 0.000 0.570 463 V N -0.043 119.891 119.914 0.032 0.000 2.735 463 V HA 0.740 4.861 4.120 0.003 0.000 0.310 463 V C 0.247 176.388 176.094 0.078 0.000 1.061 463 V CA -0.592 61.727 62.300 0.031 0.000 0.913 463 V CB 1.589 33.426 31.823 0.024 0.000 1.005 463 V HN 1.010 nan 8.190 nan 0.000 0.428 464 Q N 1.240 121.114 119.800 0.124 0.000 3.106 464 Q HA 0.874 5.216 4.340 0.003 0.000 0.247 464 Q C 0.174 176.279 176.000 0.175 0.000 1.033 464 Q CA -0.295 55.609 55.803 0.170 0.000 0.888 464 Q CB 2.024 30.907 28.738 0.242 0.000 1.586 464 Q HN 1.358 nan 8.270 nan 0.000 0.482 465 G N -0.294 108.600 108.800 0.156 0.000 2.629 465 G HA2 -0.143 3.818 3.960 0.003 0.000 0.686 465 G HA3 -0.143 3.818 3.960 0.003 0.000 0.686 465 G C 0.125 175.089 174.900 0.106 0.000 1.232 465 G CA -0.544 44.632 45.100 0.126 0.000 0.803 465 G HN 0.366 nan 8.290 nan 0.000 0.638 466 I N 0.624 121.259 120.570 0.109 0.000 2.068 466 I HA -0.190 3.982 4.170 0.003 0.000 0.238 466 I C 2.714 178.909 176.117 0.130 0.000 1.046 466 I CA 2.642 64.022 61.300 0.133 0.000 1.306 466 I CB -1.100 37.030 38.000 0.216 0.000 1.023 466 I HN 0.795 nan 8.210 nan 0.000 0.399 467 K N 0.546 121.028 120.400 0.137 0.000 2.031 467 K HA -0.098 4.223 4.320 0.003 0.000 0.205 467 K C -0.398 176.252 176.600 0.084 0.000 1.049 467 K CA 1.113 57.465 56.287 0.108 0.000 0.939 467 K CB -0.825 31.741 32.500 0.110 0.000 0.717 467 K HN 0.161 nan 8.250 nan 0.000 0.438 468 P HA -0.087 nan 4.420 nan 0.000 0.218 468 P C 0.773 178.116 177.300 0.071 0.000 1.148 468 P CA 1.294 64.435 63.100 0.069 0.000 0.822 468 P CB 0.156 31.898 31.700 0.070 0.000 0.784 469 S N -0.850 114.899 115.700 0.082 0.000 2.357 469 S HA -0.053 4.419 4.470 0.003 0.000 0.221 469 S C 1.837 176.480 174.600 0.072 0.000 1.031 469 S CA 0.894 59.143 58.200 0.080 0.000 0.982 469 S CB -1.094 62.157 63.200 0.085 0.000 0.853 469 S HN 0.112 nan 8.310 nan 0.000 0.458 470 L N 0.876 122.142 121.223 0.072 0.000 2.013 470 L HA -0.190 4.152 4.340 0.003 0.000 0.212 470 L C 2.216 179.117 176.870 0.052 0.000 1.073 470 L CA 0.949 55.826 54.840 0.062 0.000 0.753 470 L CB -0.651 41.444 42.059 0.061 0.000 0.890 470 L HN 0.273 nan 8.230 nan 0.000 0.432 471 L N -0.120 121.133 121.223 0.051 0.000 2.046 471 L HA -0.201 4.140 4.340 0.003 0.000 0.208 471 L C 2.878 179.774 176.870 0.042 0.000 1.077 471 L CA 2.163 57.029 54.840 0.042 0.000 0.747 471 L CB -1.119 40.964 42.059 0.040 0.000 0.896 471 L HN 0.390 nan 8.230 nan 0.000 0.432 472 S N -1.734 113.995 115.700 0.049 0.000 2.474 472 S HA -0.123 4.349 4.470 0.003 0.000 0.235 472 S C 1.642 176.272 174.600 0.051 0.000 0.997 472 S CA 0.757 58.987 58.200 0.050 0.000 0.949 472 S CB -0.311 62.924 63.200 0.058 0.000 0.766 472 S HN 0.350 nan 8.310 nan 0.000 0.517 473 M N 2.139 121.770 119.600 0.052 0.000 2.495 473 M HA 0.196 4.678 4.480 0.003 0.000 0.237 473 M C 0.614 176.941 176.300 0.045 0.000 1.131 473 M CA 0.392 55.724 55.300 0.054 0.000 1.032 473 M CB -0.554 32.084 32.600 0.062 0.000 1.513 473 M HN 0.577 nan 8.290 nan 0.000 0.488 474 T N -0.053 114.523 114.554 0.037 0.000 2.901 474 T HA 0.785 5.137 4.350 0.003 0.000 0.293 474 T C -0.449 174.265 174.700 0.023 0.000 1.084 474 T CA -0.999 61.117 62.100 0.027 0.000 1.008 474 T CB 2.617 71.498 68.868 0.021 0.000 1.170 474 T HN 0.366 nan 8.240 nan 0.000 0.509 475 R N -0.099 120.411 120.500 0.017 0.000 2.912 475 R HA 0.806 5.147 4.340 0.003 0.000 0.262 475 R C -1.060 175.245 176.300 0.008 0.000 1.057 475 R CA -0.993 55.114 56.100 0.013 0.000 0.981 475 R CB 0.204 30.511 30.300 0.012 0.000 1.201 475 R HN 0.581 nan 8.270 nan 0.000 0.484 476 E N 0.503 120.706 120.200 0.006 0.000 2.373 476 E HA 0.159 4.511 4.350 0.003 0.000 0.267 476 E C -0.656 175.943 176.600 -0.001 0.000 1.032 476 E CA -0.075 56.326 56.400 0.002 0.000 0.889 476 E CB 0.780 30.480 29.700 0.001 0.000 0.984 476 E HN 0.416 nan 8.360 nan 0.000 0.425 477 R N 2.597 123.095 120.500 -0.003 0.000 2.439 477 R HA 0.439 4.780 4.340 0.003 0.000 0.310 477 R C -1.610 174.686 176.300 -0.006 0.000 0.955 477 R CA -0.600 55.497 56.100 -0.005 0.000 0.853 477 R CB 0.942 31.238 30.300 -0.006 0.000 1.171 477 R HN 0.325 nan 8.270 nan 0.000 0.449 478 V N 3.423 123.332 119.914 -0.008 0.000 2.483 478 V HA 0.470 4.592 4.120 0.003 0.000 0.295 478 V C -0.268 175.820 176.094 -0.010 0.000 1.035 478 V CA -0.555 61.739 62.300 -0.009 0.000 0.896 478 V CB 2.040 33.855 31.823 -0.013 0.000 0.986 478 V HN 0.838 nan 8.190 nan 0.000 0.447 479 T N 3.678 118.226 114.554 -0.009 0.000 2.841 479 T HA 0.527 4.878 4.350 0.003 0.000 0.285 479 T C -0.579 174.115 174.700 -0.009 0.000 0.991 479 T CA -0.373 61.722 62.100 -0.009 0.000 0.966 479 T CB 1.599 70.462 68.868 -0.007 0.000 0.962 479 T HN 0.333 nan 8.240 nan 0.000 0.438 480 V N 5.296 125.205 119.914 -0.010 0.000 2.347 480 V HA 0.433 4.554 4.120 0.003 0.000 0.280 480 V C -0.065 176.025 176.094 -0.007 0.000 1.021 480 V CA -0.775 61.519 62.300 -0.010 0.000 0.847 480 V CB 1.032 32.847 31.823 -0.014 0.000 0.990 480 V HN 0.729 nan 8.190 nan 0.000 0.444 481 L N 4.998 126.218 121.223 -0.005 0.000 2.357 481 L HA 0.610 4.951 4.340 0.003 0.000 0.273 481 L C -0.045 176.823 176.870 -0.003 0.000 1.080 481 L CA -0.476 54.362 54.840 -0.003 0.000 0.803 481 L CB 1.174 43.232 42.059 -0.002 0.000 1.174 481 L HN 0.587 nan 8.230 nan 0.000 0.443 482 N N 3.542 122.241 118.700 -0.002 0.000 2.504 482 N HA 0.457 5.199 4.740 0.003 0.000 0.280 482 N C -0.786 174.724 175.510 0.000 0.000 1.052 482 N CA -0.435 52.615 53.050 -0.001 0.000 0.887 482 N CB 2.428 40.914 38.487 -0.002 0.000 1.323 482 N HN 0.369 nan 8.380 nan 0.000 0.509 483 L N 0.000 121.224 121.223 0.001 0.000 2.949 483 L HA 0.000 4.342 4.340 0.003 0.000 0.249 483 L CA 0.000 54.841 54.840 0.002 0.000 0.813 483 L CB 0.000 42.060 42.059 0.002 0.000 0.961 483 L HN 0.000 nan 8.230 nan 0.000 0.502