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 3k2w_1_F DATA FIRST_RESID 5 DATA SEQUENCE DLHFKNKVNF IGGQYVPSNE SDTIDILSPS TGKVIGEIPA GCKADAENAL DATA SEQUENCE EVAQAAQKAW AKLTARTRQN MLRTFANKIR ENKHILAPML VAEQGKLLSV DATA SEQUENCE AEMEVDVTAT FIDYGCDNAL TIEGDILPSD NQDEKIYIHK VPRGVVVGIT DATA SEQUENCE AWNFPLALAG RKIGPALITG NTMVLKPTQE TPLATTELGR IAKEAGLPDG DATA SEQUENCE VLNVINGTGS VVGQTLCESP ITKMITMTGS TVAGKQIYKT SAEYMTPVML DATA SEQUENCE ELGGKAPMVV MDDADLDKAA EDALWGRFAN CGQVCTCVER LYVHASVYDE DATA SEQUENCE FMAKFLPLVK GLKVGDPMDA DSQMGPKCNQ REIDNIDHIV HEAIKQGATV DATA SEQUENCE ATGGKTATVE GFEGGCWYEP TVLVDVKQDN IVVHEETFGP ILPIVKVSSM DATA SEQUENCE EQAIEFCNDS IYGLSAYVHT QSFANINQAI SDLEVGEVYI NRGMGEQHQG DATA SEQUENCE FHNGWKQSGF GGEDGKFGLE QYLEKKTVYI NEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.047 176.300 -0.422 0.000 2.045 5 D CA 0.000 53.885 54.000 -0.192 0.000 0.868 5 D CB 0.000 40.718 40.800 -0.136 0.000 0.688 6 L N 2.886 123.826 121.223 -0.472 0.000 2.292 6 L HA 0.314 4.654 4.340 -0.000 0.000 0.284 6 L C 0.014 176.467 176.870 -0.696 0.000 1.065 6 L CA -0.495 53.916 54.840 -0.714 0.000 0.806 6 L CB 1.278 42.807 42.059 -0.883 0.000 1.175 6 L HN 0.034 nan 8.230 nan 0.000 0.431 7 H N 4.138 123.007 119.070 -0.336 0.000 2.923 7 H HA 0.173 4.729 4.556 -0.000 0.000 0.251 7 H C -0.326 174.901 175.328 -0.168 0.000 1.741 7 H CA -0.477 55.453 56.048 -0.196 0.000 1.387 7 H CB -0.557 29.134 29.762 -0.118 0.000 1.740 7 H HN 0.246 nan 8.280 nan 0.000 0.544 8 F N 1.566 121.534 119.950 0.031 0.000 2.506 8 F HA 0.045 4.572 4.527 -0.000 0.000 0.351 8 F C 1.366 177.140 175.800 -0.044 0.000 1.136 8 F CA -0.120 57.875 58.000 -0.009 0.000 1.298 8 F CB 0.724 39.720 39.000 -0.007 0.000 1.145 8 F HN 0.032 nan 8.300 nan 0.000 0.593 9 K N 3.455 123.941 120.400 0.144 0.000 2.150 9 K HA 0.142 4.462 4.320 -0.000 0.000 0.261 9 K C -0.466 176.137 176.600 0.004 0.000 1.127 9 K CA -0.209 56.041 56.287 -0.061 0.000 0.989 9 K CB -0.481 31.874 32.500 -0.241 0.000 1.475 9 K HN 0.505 nan 8.250 nan 0.000 0.391 10 N N 1.784 120.499 118.700 0.025 0.000 2.530 10 N HA 0.067 4.807 4.740 -0.000 0.000 0.277 10 N C 0.241 175.763 175.510 0.019 0.000 1.168 10 N CA -0.143 52.922 53.050 0.024 0.000 0.979 10 N CB 0.885 39.395 38.487 0.038 0.000 1.141 10 N HN 0.283 nan 8.380 nan 0.000 0.459 11 K N -1.848 118.566 120.400 0.022 0.000 3.130 11 K HA -0.191 4.129 4.320 -0.000 0.000 0.282 11 K C -0.319 176.311 176.600 0.051 0.000 1.145 11 K CA 0.528 56.833 56.287 0.030 0.000 0.831 11 K CB -1.735 30.779 32.500 0.023 0.000 1.226 11 K HN 0.493 nan 8.250 nan 0.000 0.478 12 V N -2.852 117.107 119.914 0.076 0.000 2.962 12 V HA 0.666 4.786 4.120 -0.000 0.000 0.313 12 V C -0.468 175.739 176.094 0.189 0.000 1.099 12 V CA -1.194 61.188 62.300 0.136 0.000 0.971 12 V CB 2.295 34.226 31.823 0.181 0.000 1.028 12 V HN 0.098 nan 8.190 nan 0.000 0.430 13 N N 1.399 120.216 118.700 0.194 0.000 2.384 13 N HA 0.525 5.265 4.740 -0.000 0.000 0.301 13 N C -1.460 174.194 175.510 0.239 0.000 1.133 13 N CA -0.290 52.876 53.050 0.194 0.000 0.853 13 N CB 2.333 40.877 38.487 0.095 0.000 1.241 13 N HN 0.892 nan 8.380 nan 0.000 0.502 14 F N 2.095 122.061 119.950 0.026 0.000 2.350 14 F HA 0.526 5.053 4.527 -0.000 0.000 0.365 14 F C -0.570 175.145 175.800 -0.141 0.000 1.122 14 F CA -0.506 57.381 58.000 -0.189 0.000 1.139 14 F CB 0.222 39.022 39.000 -0.334 0.000 1.220 14 F HN 0.278 nan 8.300 nan 0.000 0.499 15 I N 4.990 125.217 120.570 -0.573 0.000 2.569 15 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 15 I C 0.564 176.360 176.117 -0.535 0.000 1.088 15 I CA -0.855 60.203 61.300 -0.403 0.000 1.047 15 I CB 2.024 39.908 38.000 -0.192 0.000 1.237 15 I HN 0.743 nan 8.210 nan 0.000 0.421 16 G N 3.949 112.492 108.800 -0.428 0.000 2.225 16 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.267 16 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.267 16 G C 0.943 175.602 174.900 -0.402 0.000 1.024 16 G CA 0.587 45.490 45.100 -0.328 0.000 0.784 16 G HN 1.667 nan 8.290 nan 0.000 0.507 17 G N -2.460 105.927 108.800 -0.687 0.000 2.175 17 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.244 17 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.244 17 G C 0.041 174.532 174.900 -0.682 0.000 0.982 17 G CA 0.942 45.712 45.100 -0.551 0.000 0.641 17 G HN 1.309 nan 8.290 nan 0.000 0.527 18 Q N -0.594 118.646 119.800 -0.933 0.000 2.375 18 Q HA 0.508 4.848 4.340 -0.000 0.000 0.271 18 Q C -1.007 174.686 176.000 -0.511 0.000 1.074 18 Q CA -0.920 54.587 55.803 -0.495 0.000 0.808 18 Q CB 1.490 30.083 28.738 -0.241 0.000 1.327 18 Q HN 0.277 nan 8.270 nan 0.000 0.441 19 Y N 1.051 121.351 120.300 0.000 0.000 2.537 19 Y HA 0.218 4.768 4.550 -0.000 0.000 0.339 19 Y C 0.730 176.632 175.900 0.004 0.000 1.066 19 Y CA -0.271 57.878 58.100 0.082 0.000 1.357 19 Y CB 0.310 38.866 38.460 0.160 0.000 1.175 19 Y HN 0.236 nan 8.280 nan 0.000 0.525 20 V N 3.247 123.233 119.914 0.120 0.000 2.864 20 V HA 0.745 4.864 4.120 -0.000 0.000 0.314 20 V C -2.588 173.550 176.094 0.073 0.000 1.073 20 V CA -2.968 59.364 62.300 0.054 0.000 0.956 20 V CB 1.955 33.767 31.823 -0.018 0.000 1.023 20 V HN 0.436 nan 8.190 nan 0.000 0.435 21 P HA 0.254 nan 4.420 nan 0.000 0.276 21 P C -0.032 177.288 177.300 0.033 0.000 1.261 21 P CA -0.057 63.069 63.100 0.044 0.000 0.800 21 P CB 1.148 32.866 31.700 0.031 0.000 1.066 22 S N -0.023 115.695 115.700 0.031 0.000 2.600 22 S HA 0.065 4.535 4.470 -0.000 0.000 0.265 22 S C 1.342 175.951 174.600 0.014 0.000 1.325 22 S CA -0.246 57.968 58.200 0.022 0.000 1.002 22 S CB -0.437 62.777 63.200 0.023 0.000 0.921 22 S HN 0.271 nan 8.310 nan 0.000 0.554 23 N N 1.374 120.080 118.700 0.010 0.000 2.381 23 N HA 0.054 4.794 4.740 -0.000 0.000 0.182 23 N C -0.187 175.327 175.510 0.007 0.000 1.025 23 N CA 0.913 53.966 53.050 0.006 0.000 0.888 23 N CB 0.016 38.505 38.487 0.004 0.000 0.965 23 N HN 0.634 nan 8.380 nan 0.000 0.438 24 E N -1.815 118.391 120.200 0.009 0.000 2.256 24 E HA 0.231 4.581 4.350 -0.000 0.000 0.267 24 E C 0.157 176.763 176.600 0.010 0.000 0.892 24 E CA -0.355 56.050 56.400 0.009 0.000 0.775 24 E CB 1.559 31.264 29.700 0.008 0.000 1.207 24 E HN 0.085 nan 8.360 nan 0.000 0.420 25 S N 0.735 116.440 115.700 0.009 0.000 2.527 25 S HA -0.027 4.443 4.470 -0.000 0.000 0.222 25 S C 0.180 174.786 174.600 0.009 0.000 0.985 25 S CA 0.046 58.252 58.200 0.009 0.000 0.921 25 S CB -0.210 62.995 63.200 0.008 0.000 0.772 25 S HN 0.432 nan 8.310 nan 0.000 0.529 26 D N 2.642 123.047 120.400 0.008 0.000 2.472 26 D HA 0.382 5.022 4.640 -0.000 0.000 0.237 26 D C 0.490 176.794 176.300 0.006 0.000 1.141 26 D CA 0.807 54.810 54.000 0.006 0.000 0.875 26 D CB 0.724 41.527 40.800 0.006 0.000 1.192 26 D HN 0.499 nan 8.370 nan 0.000 0.450 27 T N -1.576 112.980 114.554 0.004 0.000 2.901 27 T HA 0.702 5.052 4.350 -0.000 0.000 0.293 27 T C -0.413 174.285 174.700 -0.004 0.000 1.084 27 T CA -0.981 61.120 62.100 0.002 0.000 1.008 27 T CB 0.977 69.846 68.868 0.001 0.000 1.170 27 T HN 0.257 nan 8.240 nan 0.000 0.509 28 I N 1.556 122.121 120.570 -0.009 0.000 2.436 28 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 28 I C -0.742 175.358 176.117 -0.028 0.000 1.010 28 I CA -0.962 60.328 61.300 -0.017 0.000 1.098 28 I CB 1.781 39.771 38.000 -0.016 0.000 1.266 28 I HN 0.614 nan 8.210 nan 0.000 0.434 29 D N 6.278 126.659 120.400 -0.031 0.000 2.382 29 D HA 0.276 4.915 4.640 -0.000 0.000 0.245 29 D C -0.170 176.093 176.300 -0.062 0.000 1.120 29 D CA 0.096 54.071 54.000 -0.042 0.000 0.890 29 D CB 1.257 42.038 40.800 -0.032 0.000 1.201 29 D HN 0.114 nan 8.370 nan 0.000 0.433 30 I N 2.983 123.501 120.570 -0.087 0.000 2.321 30 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 30 I C 0.213 176.269 176.117 -0.101 0.000 0.998 30 I CA -0.518 60.713 61.300 -0.115 0.000 1.227 30 I CB 0.417 38.308 38.000 -0.182 0.000 1.368 30 I HN 0.126 nan 8.210 nan 0.000 0.466 31 L N 4.600 125.769 121.223 -0.090 0.000 2.289 31 L HA 0.337 4.677 4.340 -0.000 0.000 0.285 31 L C 0.874 177.700 176.870 -0.074 0.000 1.049 31 L CA -0.490 54.308 54.840 -0.070 0.000 0.804 31 L CB 1.475 43.494 42.059 -0.068 0.000 1.195 31 L HN 0.645 nan 8.230 nan 0.000 0.428 32 S N 3.652 119.331 115.700 -0.036 0.000 2.533 32 S HA 0.200 4.670 4.470 -0.000 0.000 0.282 32 S C -1.656 172.914 174.600 -0.050 0.000 1.304 32 S CA -0.996 57.192 58.200 -0.020 0.000 1.063 32 S CB 0.963 64.193 63.200 0.049 0.000 0.881 32 S HN 0.393 nan 8.310 nan 0.000 0.493 33 P HA -0.024 nan 4.420 nan 0.000 0.225 33 P C 1.332 178.478 177.300 -0.257 0.000 1.156 33 P CA 0.772 63.751 63.100 -0.202 0.000 0.787 33 P CB -0.015 31.537 31.700 -0.247 0.000 0.802 34 S N -0.948 114.686 115.700 -0.110 0.000 2.345 34 S HA -0.116 4.354 4.470 -0.000 0.000 0.219 34 S C 1.973 176.816 174.600 0.406 0.000 1.031 34 S CA 1.961 60.207 58.200 0.077 0.000 0.984 34 S CB -1.855 61.449 63.200 0.173 0.000 0.874 34 S HN 0.278 nan 8.310 nan 0.000 0.451 35 T N -2.672 112.072 114.554 0.316 0.000 3.039 35 T HA 0.497 4.847 4.350 -0.000 0.000 0.250 35 T C 1.765 176.570 174.700 0.175 0.000 1.052 35 T CA 0.965 63.253 62.100 0.313 0.000 1.125 35 T CB -0.203 68.800 68.868 0.225 0.000 0.908 35 T HN 1.055 nan 8.240 nan 0.000 0.473 36 G N 1.600 110.459 108.800 0.098 0.000 2.195 36 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 36 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 36 G C 0.023 174.941 174.900 0.031 0.000 0.984 36 G CA 0.127 45.256 45.100 0.048 0.000 0.633 36 G HN 0.712 nan 8.290 nan 0.000 0.525 37 K N 0.504 120.931 120.400 0.045 0.000 2.202 37 K HA 0.536 4.856 4.320 -0.000 0.000 0.264 37 K C 0.624 177.234 176.600 0.016 0.000 1.010 37 K CA -0.533 55.773 56.287 0.032 0.000 0.940 37 K CB 1.808 34.333 32.500 0.043 0.000 0.983 37 K HN 0.054 nan 8.250 nan 0.000 0.475 38 V N 4.440 124.359 119.914 0.008 0.000 2.521 38 V HA -0.008 4.112 4.120 -0.000 0.000 0.286 38 V C 1.219 177.318 176.094 0.008 0.000 1.034 38 V CA 0.220 62.517 62.300 -0.006 0.000 1.045 38 V CB -0.049 31.771 31.823 -0.006 0.000 0.974 38 V HN 0.743 nan 8.190 nan 0.000 0.480 39 I N 1.493 122.054 120.570 -0.015 0.000 4.181 39 I HA 0.708 4.878 4.170 -0.000 0.000 0.331 39 I C 0.788 176.890 176.117 -0.026 0.000 1.312 39 I CA 0.366 61.681 61.300 0.024 0.000 1.146 39 I CB 0.553 38.575 38.000 0.037 0.000 1.074 39 I HN 0.662 nan 8.210 nan 0.000 0.402 40 G N 0.711 109.448 108.800 -0.104 0.000 2.428 40 G HA2 0.498 4.458 3.960 -0.000 0.000 0.304 40 G HA3 0.498 4.458 3.960 -0.000 0.000 0.304 40 G C -1.951 172.891 174.900 -0.098 0.000 1.303 40 G CA -0.496 44.528 45.100 -0.127 0.000 0.825 40 G HN 0.145 nan 8.290 nan 0.000 0.484 41 E N -0.588 119.565 120.200 -0.079 0.000 2.343 41 E HA 0.463 4.813 4.350 -0.000 0.000 0.288 41 E C -0.719 175.863 176.600 -0.031 0.000 0.907 41 E CA -0.654 55.720 56.400 -0.043 0.000 0.792 41 E CB 1.924 31.615 29.700 -0.015 0.000 1.275 41 E HN 0.719 nan 8.360 nan 0.000 0.402 42 I N -0.212 120.342 120.570 -0.025 0.000 2.863 42 I HA 0.718 4.888 4.170 -0.000 0.000 0.311 42 I C -2.511 173.611 176.117 0.008 0.000 1.026 42 I CA -3.004 58.294 61.300 -0.002 0.000 1.077 42 I CB 1.509 39.509 38.000 -0.000 0.000 1.262 42 I HN 0.228 nan 8.210 nan 0.000 0.461 43 P HA 0.057 nan 4.420 nan 0.000 0.266 43 P C 0.223 177.532 177.300 0.016 0.000 1.195 43 P CA 0.025 63.137 63.100 0.021 0.000 0.768 43 P CB 0.976 32.695 31.700 0.030 0.000 0.838 44 A N 3.425 126.252 122.820 0.011 0.000 2.067 44 A HA 0.292 4.612 4.320 -0.000 0.000 0.219 44 A C 1.164 178.756 177.584 0.014 0.000 1.158 44 A CA 1.351 53.394 52.037 0.010 0.000 0.661 44 A CB -1.479 17.525 19.000 0.007 0.000 0.801 44 A HN 0.800 nan 8.150 nan 0.000 0.452 45 G N -2.280 106.530 108.800 0.016 0.000 2.829 45 G HA2 0.083 4.043 3.960 -0.000 0.000 0.628 45 G HA3 0.083 4.043 3.960 -0.000 0.000 0.628 45 G C -0.071 174.837 174.900 0.014 0.000 1.412 45 G CA -0.227 44.883 45.100 0.018 0.000 0.864 45 G HN 2.245 nan 8.290 nan 0.000 0.544 46 C N -1.563 117.745 119.300 0.013 0.000 3.314 46 C HA 0.856 5.316 4.460 -0.000 0.000 0.344 46 C C 1.479 176.475 174.990 0.010 0.000 1.461 46 C CA 0.173 59.197 59.018 0.011 0.000 1.249 46 C CB 1.250 28.995 27.740 0.009 0.000 1.632 46 C HN 1.391 nan 8.230 nan 0.000 0.452 47 K N 0.721 121.126 120.400 0.009 0.000 2.057 47 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 47 K C 2.085 178.687 176.600 0.004 0.000 1.049 47 K CA 2.046 58.338 56.287 0.008 0.000 0.931 47 K CB -0.509 31.996 32.500 0.008 0.000 0.714 47 K HN 0.842 nan 8.250 nan 0.000 0.440 48 A N 1.628 124.450 122.820 0.003 0.000 1.908 48 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 48 A C 1.651 179.233 177.584 -0.003 0.000 1.181 48 A CA 2.115 54.152 52.037 -0.001 0.000 0.627 48 A CB -0.647 18.352 19.000 -0.001 0.000 0.818 48 A HN 0.413 nan 8.150 nan 0.000 0.445 49 D N 0.038 120.439 120.400 0.001 0.000 2.104 49 D HA -0.088 4.552 4.640 -0.000 0.000 0.194 49 D C 2.271 178.570 176.300 -0.001 0.000 0.994 49 D CA 1.742 55.743 54.000 0.001 0.000 0.830 49 D CB -0.497 40.308 40.800 0.010 0.000 0.959 49 D HN 0.431 nan 8.370 nan 0.000 0.452 50 A N 0.940 123.761 122.820 0.002 0.000 1.898 50 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 50 A C 2.068 179.648 177.584 -0.008 0.000 1.181 50 A CA 1.500 53.538 52.037 0.001 0.000 0.620 50 A CB -0.565 18.438 19.000 0.006 0.000 0.819 50 A HN 0.216 nan 8.150 nan 0.000 0.442 51 E N -0.117 120.078 120.200 -0.009 0.000 2.085 51 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 51 E C 2.018 178.605 176.600 -0.021 0.000 0.994 51 E CA 1.170 57.560 56.400 -0.016 0.000 0.801 51 E CB -0.323 29.370 29.700 -0.013 0.000 0.743 51 E HN 0.769 nan 8.360 nan 0.000 0.453 52 N N 0.714 119.401 118.700 -0.021 0.000 2.058 52 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 52 N C 2.000 177.487 175.510 -0.038 0.000 1.037 52 N CA 1.277 54.309 53.050 -0.029 0.000 0.848 52 N CB -0.056 38.413 38.487 -0.029 0.000 1.021 52 N HN 0.115 nan 8.380 nan 0.000 0.422 53 A N 1.695 124.495 122.820 -0.033 0.000 1.917 53 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 53 A C 2.374 179.936 177.584 -0.037 0.000 1.182 53 A CA 1.109 53.124 52.037 -0.037 0.000 0.633 53 A CB -0.818 18.171 19.000 -0.018 0.000 0.819 53 A HN 0.371 nan 8.150 nan 0.000 0.448 54 L N -1.226 119.980 121.223 -0.029 0.000 2.093 54 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 54 L C 2.624 179.473 176.870 -0.036 0.000 1.085 54 L CA 1.624 56.446 54.840 -0.031 0.000 0.755 54 L CB -0.492 41.548 42.059 -0.030 0.000 0.904 54 L HN 0.477 nan 8.230 nan 0.000 0.435 55 E N -0.545 119.633 120.200 -0.037 0.000 2.072 55 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 55 E C 2.275 178.851 176.600 -0.040 0.000 0.982 55 E CA 1.045 57.423 56.400 -0.036 0.000 0.803 55 E CB 0.040 29.720 29.700 -0.033 0.000 0.755 55 E HN 0.197 nan 8.360 nan 0.000 0.453 56 V N 1.359 121.243 119.914 -0.050 0.000 2.287 56 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 56 V C 2.312 178.369 176.094 -0.062 0.000 1.053 56 V CA 1.933 64.195 62.300 -0.063 0.000 1.027 56 V CB -0.759 31.012 31.823 -0.087 0.000 0.646 56 V HN 0.347 nan 8.190 nan 0.000 0.447 57 A N -0.912 121.872 122.820 -0.059 0.000 1.908 57 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 57 A C 2.264 179.826 177.584 -0.037 0.000 1.181 57 A CA 2.285 54.288 52.037 -0.058 0.000 0.627 57 A CB -0.575 18.397 19.000 -0.047 0.000 0.818 57 A HN 0.614 nan 8.150 nan 0.000 0.445 58 Q N -0.824 118.960 119.800 -0.027 0.000 2.119 58 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 58 Q C 2.102 178.098 176.000 -0.007 0.000 0.972 58 Q CA 1.355 57.150 55.803 -0.013 0.000 0.847 58 Q CB -0.289 28.436 28.738 -0.021 0.000 0.903 58 Q HN 0.614 nan 8.270 nan 0.000 0.433 59 A N 0.061 122.871 122.820 -0.017 0.000 2.066 59 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 59 A C 2.012 179.594 177.584 -0.004 0.000 1.157 59 A CA 1.177 53.207 52.037 -0.012 0.000 0.670 59 A CB -0.369 18.618 19.000 -0.022 0.000 0.804 59 A HN 0.479 nan 8.150 nan 0.000 0.453 60 A N -1.423 121.390 122.820 -0.011 0.000 2.178 60 A HA 0.016 4.336 4.320 -0.000 0.000 0.211 60 A C 2.024 179.643 177.584 0.059 0.000 1.157 60 A CA 1.037 53.074 52.037 0.001 0.000 0.780 60 A CB -0.253 18.715 19.000 -0.053 0.000 0.828 60 A HN 0.466 nan 8.150 nan 0.000 0.476 61 Q N 0.495 120.331 119.800 0.061 0.000 2.083 61 Q HA -0.165 4.174 4.340 -0.000 0.000 0.198 61 Q C 1.566 177.659 176.000 0.155 0.000 0.969 61 Q CA 1.675 57.553 55.803 0.124 0.000 0.838 61 Q CB -0.074 28.717 28.738 0.087 0.000 0.900 61 Q HN 0.544 nan 8.270 nan 0.000 0.436 62 K N 0.504 120.959 120.400 0.092 0.000 2.057 62 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 62 K C 1.992 178.635 176.600 0.071 0.000 1.049 62 K CA 1.362 57.688 56.287 0.066 0.000 0.931 62 K CB -0.542 31.980 32.500 0.037 0.000 0.714 62 K HN 0.260 nan 8.250 nan 0.000 0.440 63 A N 0.657 123.530 122.820 0.088 0.000 1.877 63 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 63 A C 2.067 179.734 177.584 0.139 0.000 1.186 63 A CA 1.420 53.511 52.037 0.091 0.000 0.620 63 A CB -1.056 17.997 19.000 0.089 0.000 0.822 63 A HN 0.626 nan 8.150 nan 0.000 0.443 64 W N 0.639 121.931 121.300 -0.013 0.000 2.338 64 W HA -0.192 4.468 4.660 -0.000 0.000 0.304 64 W C 2.224 178.739 176.519 -0.007 0.000 1.212 64 W CA 1.885 59.224 57.345 -0.011 0.000 1.264 64 W CB -0.138 29.315 29.460 -0.011 0.000 1.142 64 W HN 0.421 nan 8.180 nan 0.000 0.512 65 A N 0.377 123.213 122.820 0.027 0.000 2.014 65 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 65 A C 1.991 179.506 177.584 -0.115 0.000 1.163 65 A CA 1.524 53.507 52.037 -0.091 0.000 0.652 65 A CB -0.768 18.241 19.000 0.015 0.000 0.808 65 A HN 0.312 nan 8.150 nan 0.000 0.449 66 K N -0.491 119.869 120.400 -0.066 0.000 2.288 66 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 66 K C 0.125 176.666 176.600 -0.099 0.000 1.048 66 K CA -0.046 56.203 56.287 -0.064 0.000 0.956 66 K CB -0.291 32.193 32.500 -0.028 0.000 0.746 66 K HN 0.490 nan 8.250 nan 0.000 0.461 67 L N 1.869 123.000 121.223 -0.152 0.000 2.482 67 L HA -0.018 4.322 4.340 -0.000 0.000 0.273 67 L C 0.962 177.713 176.870 -0.198 0.000 1.228 67 L CA -0.220 54.511 54.840 -0.181 0.000 0.827 67 L CB 0.348 42.246 42.059 -0.268 0.000 1.099 67 L HN 0.234 nan 8.230 nan 0.000 0.494 68 T N -1.091 113.371 114.554 -0.153 0.000 2.802 68 T HA 0.229 4.579 4.350 -0.000 0.000 0.305 68 T C 1.138 175.734 174.700 -0.172 0.000 1.053 68 T CA -0.203 61.817 62.100 -0.133 0.000 1.058 68 T CB 1.177 69.991 68.868 -0.090 0.000 0.988 68 T HN 0.662 nan 8.240 nan 0.000 0.539 69 A N 0.968 123.707 122.820 -0.136 0.000 1.902 69 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 69 A C 2.500 180.017 177.584 -0.112 0.000 1.181 69 A CA 1.807 53.765 52.037 -0.131 0.000 0.623 69 A CB -0.926 18.019 19.000 -0.091 0.000 0.818 69 A HN 0.970 nan 8.150 nan 0.000 0.443 70 R N -0.785 119.664 120.500 -0.085 0.000 2.091 70 R HA -0.140 4.199 4.340 -0.000 0.000 0.238 70 R C 2.089 178.349 176.300 -0.066 0.000 1.136 70 R CA 2.169 58.231 56.100 -0.063 0.000 0.959 70 R CB -0.558 29.713 30.300 -0.047 0.000 0.856 70 R HN 0.513 nan 8.270 nan 0.000 0.437 71 T N 0.163 114.661 114.554 -0.093 0.000 2.777 71 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 71 T C 1.766 176.400 174.700 -0.109 0.000 1.040 71 T CA 1.176 63.223 62.100 -0.089 0.000 1.141 71 T CB -0.121 68.684 68.868 -0.105 0.000 0.868 71 T HN 0.334 nan 8.240 nan 0.000 0.444 72 R N 0.755 121.124 120.500 -0.218 0.000 2.075 72 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 72 R C 2.703 178.983 176.300 -0.034 0.000 1.126 72 R CA 1.160 57.105 56.100 -0.259 0.000 0.963 72 R CB -0.258 29.745 30.300 -0.495 0.000 0.858 72 R HN 0.474 nan 8.270 nan 0.000 0.435 73 Q N 0.790 120.565 119.800 -0.043 0.000 2.030 73 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 73 Q C 1.588 177.608 176.000 0.033 0.000 0.986 73 Q CA 1.671 57.474 55.803 0.001 0.000 0.843 73 Q CB 0.010 28.733 28.738 -0.025 0.000 0.904 73 Q HN 0.259 nan 8.270 nan 0.000 0.420 74 N N 0.190 118.902 118.700 0.020 0.000 2.036 74 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 74 N C 1.764 177.322 175.510 0.079 0.000 1.037 74 N CA 1.835 54.909 53.050 0.039 0.000 0.855 74 N CB -0.369 38.132 38.487 0.023 0.000 1.033 74 N HN 0.332 nan 8.380 nan 0.000 0.423 75 M N 0.146 119.808 119.600 0.103 0.000 2.117 75 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 75 M C 2.030 178.454 176.300 0.206 0.000 1.065 75 M CA 1.149 56.543 55.300 0.156 0.000 1.114 75 M CB -0.176 32.556 32.600 0.221 0.000 1.361 75 M HN 0.070 nan 8.290 nan 0.000 0.408 76 L N -0.886 120.474 121.223 0.228 0.000 2.109 76 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 76 L C 2.619 179.624 176.870 0.223 0.000 1.086 76 L CA 1.065 56.074 54.840 0.281 0.000 0.760 76 L CB -0.509 41.707 42.059 0.261 0.000 0.910 76 L HN 0.243 nan 8.230 nan 0.000 0.437 77 R N -0.578 120.008 120.500 0.144 0.000 2.081 77 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 77 R C 2.241 178.607 176.300 0.110 0.000 1.131 77 R CA 1.903 58.064 56.100 0.101 0.000 0.960 77 R CB -0.690 29.650 30.300 0.067 0.000 0.856 77 R HN 0.351 nan 8.270 nan 0.000 0.436 78 T N 1.256 115.888 114.554 0.130 0.000 2.720 78 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 78 T C 1.391 176.208 174.700 0.196 0.000 1.037 78 T CA 1.361 63.541 62.100 0.135 0.000 1.144 78 T CB -0.360 68.584 68.868 0.126 0.000 0.864 78 T HN 0.152 nan 8.240 nan 0.000 0.444 79 F N 2.488 122.468 119.950 0.049 0.000 2.102 79 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 79 F C 2.489 178.314 175.800 0.041 0.000 1.105 79 F CA 0.660 58.684 58.000 0.040 0.000 1.239 79 F CB -1.142 37.882 39.000 0.040 0.000 0.991 79 F HN 0.160 nan 8.300 nan 0.000 0.474 80 A N 0.597 123.386 122.820 -0.051 0.000 1.908 80 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 80 A C 2.139 179.688 177.584 -0.058 0.000 1.181 80 A CA 1.945 53.904 52.037 -0.131 0.000 0.627 80 A CB -0.986 17.995 19.000 -0.032 0.000 0.818 80 A HN 0.509 nan 8.150 nan 0.000 0.445 81 N N -0.034 118.673 118.700 0.013 0.000 2.166 81 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 81 N C 1.525 177.056 175.510 0.034 0.000 1.019 81 N CA 1.174 54.241 53.050 0.027 0.000 0.856 81 N CB -0.227 38.287 38.487 0.045 0.000 0.993 81 N HN 0.393 nan 8.380 nan 0.000 0.426 82 K N 0.876 121.311 120.400 0.058 0.000 2.155 82 K HA 0.066 4.386 4.320 -0.000 0.000 0.203 82 K C 2.124 178.751 176.600 0.045 0.000 1.052 82 K CA 0.269 56.605 56.287 0.081 0.000 0.948 82 K CB -0.179 32.413 32.500 0.154 0.000 0.728 82 K HN 0.251 nan 8.250 nan 0.000 0.448 83 I N 0.727 121.275 120.570 -0.036 0.000 2.202 83 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 83 I C 2.490 178.598 176.117 -0.014 0.000 1.091 83 I CA 1.168 62.425 61.300 -0.073 0.000 1.368 83 I CB -0.151 37.719 38.000 -0.217 0.000 1.058 83 I HN 0.108 nan 8.210 nan 0.000 0.410 84 R N 0.681 121.176 120.500 -0.008 0.000 2.096 84 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 84 R C 2.077 178.406 176.300 0.050 0.000 1.139 84 R CA 1.791 57.901 56.100 0.018 0.000 0.952 84 R CB -0.411 29.897 30.300 0.014 0.000 0.854 84 R HN 0.417 nan 8.270 nan 0.000 0.436 85 E N -0.040 120.195 120.200 0.058 0.000 2.401 85 E HA -0.088 4.262 4.350 -0.000 0.000 0.199 85 E C 0.737 177.439 176.600 0.170 0.000 1.023 85 E CA 0.554 57.007 56.400 0.087 0.000 0.859 85 E CB 0.062 29.806 29.700 0.074 0.000 0.780 85 E HN 0.322 nan 8.360 nan 0.000 0.523 86 N N 0.476 119.256 118.700 0.134 0.000 2.238 86 N HA 0.006 4.746 4.740 -0.000 0.000 0.222 86 N C 1.015 176.563 175.510 0.063 0.000 1.133 86 N CA -0.006 53.111 53.050 0.110 0.000 0.854 86 N CB 0.522 39.028 38.487 0.031 0.000 1.041 86 N HN 0.053 nan 8.380 nan 0.000 0.510 87 K N 1.632 122.106 120.400 0.125 0.000 2.059 87 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 87 K C 1.922 178.571 176.600 0.080 0.000 1.050 87 K CA 1.900 58.240 56.287 0.087 0.000 0.927 87 K CB -0.179 32.373 32.500 0.086 0.000 0.714 87 K HN 0.475 nan 8.250 nan 0.000 0.447 88 H N -1.503 117.568 119.070 0.001 0.000 2.489 88 H HA 0.005 4.561 4.556 -0.000 0.000 0.293 88 H C 1.710 177.026 175.328 -0.020 0.000 1.066 88 H CA 1.455 57.499 56.048 -0.007 0.000 1.305 88 H CB -0.084 29.673 29.762 -0.008 0.000 1.386 88 H HN 0.237 nan 8.280 nan 0.000 0.551 89 I N 0.160 120.411 120.570 -0.531 0.000 2.512 89 I HA -0.087 4.083 4.170 -0.000 0.000 0.247 89 I C 2.129 178.144 176.117 -0.171 0.000 1.094 89 I CA 0.354 61.421 61.300 -0.388 0.000 1.427 89 I CB -0.041 37.711 38.000 -0.414 0.000 1.149 89 I HN 0.185 nan 8.210 nan 0.000 0.438 90 L N 0.793 121.958 121.223 -0.098 0.000 2.046 90 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 90 L C 2.830 179.711 176.870 0.018 0.000 1.077 90 L CA 1.445 56.277 54.840 -0.013 0.000 0.747 90 L CB -0.727 41.338 42.059 0.010 0.000 0.896 90 L HN 0.252 nan 8.230 nan 0.000 0.432 91 A N 0.540 123.369 122.820 0.014 0.000 1.877 91 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 91 A C -0.023 177.581 177.584 0.034 0.000 1.186 91 A CA 1.616 53.674 52.037 0.035 0.000 0.620 91 A CB -1.792 17.230 19.000 0.038 0.000 0.822 91 A HN 0.302 nan 8.150 nan 0.000 0.443 92 P HA -0.152 nan 4.420 nan 0.000 0.219 92 P C 1.699 179.030 177.300 0.052 0.000 1.150 92 P CA 1.225 64.335 63.100 0.016 0.000 0.814 92 P CB -0.276 31.411 31.700 -0.022 0.000 0.787 93 M N -0.815 118.815 119.600 0.051 0.000 2.082 93 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 93 M C 2.376 178.798 176.300 0.202 0.000 1.069 93 M CA 1.917 57.346 55.300 0.215 0.000 1.102 93 M CB -1.061 31.677 32.600 0.229 0.000 1.336 93 M HN -0.103 nan 8.290 nan 0.000 0.404 94 L N -0.644 120.652 121.223 0.120 0.000 2.042 94 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 94 L C 2.422 179.331 176.870 0.065 0.000 1.076 94 L CA 0.983 55.877 54.840 0.090 0.000 0.749 94 L CB -0.728 41.379 42.059 0.080 0.000 0.893 94 L HN 0.147 nan 8.230 nan 0.000 0.432 95 V N -0.054 119.897 119.914 0.062 0.000 2.343 95 V HA -0.304 3.815 4.120 -0.000 0.000 0.247 95 V C 2.749 178.875 176.094 0.054 0.000 1.051 95 V CA 1.795 64.121 62.300 0.044 0.000 1.036 95 V CB -1.021 30.828 31.823 0.043 0.000 0.654 95 V HN 0.488 nan 8.190 nan 0.000 0.451 96 A N 1.111 123.994 122.820 0.104 0.000 1.851 96 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 96 A C 2.266 179.887 177.584 0.062 0.000 1.195 96 A CA 2.172 54.289 52.037 0.133 0.000 0.622 96 A CB -0.571 18.600 19.000 0.286 0.000 0.831 96 A HN 0.785 nan 8.150 nan 0.000 0.444 97 E N -2.054 118.171 120.200 0.041 0.000 2.158 97 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 97 E C 1.952 178.526 176.600 -0.043 0.000 0.982 97 E CA 1.105 57.481 56.400 -0.040 0.000 0.823 97 E CB -0.146 29.504 29.700 -0.083 0.000 0.766 97 E HN 0.591 nan 8.360 nan 0.000 0.468 98 Q N 0.100 119.890 119.800 -0.016 0.000 2.391 98 Q HA 0.084 4.424 4.340 -0.000 0.000 0.243 98 Q C 1.158 177.121 176.000 -0.061 0.000 0.874 98 Q CA 1.113 56.904 55.803 -0.020 0.000 0.950 98 Q CB 1.115 29.866 28.738 0.021 0.000 1.103 98 Q HN 0.471 nan 8.270 nan 0.000 0.544 99 G N 2.342 111.107 108.800 -0.058 0.000 2.176 99 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 99 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 99 G C 0.008 174.861 174.900 -0.078 0.000 0.979 99 G CA 0.568 45.611 45.100 -0.095 0.000 0.641 99 G HN 0.439 nan 8.290 nan 0.000 0.530 100 K N 0.817 121.184 120.400 -0.055 0.000 2.319 100 K HA 0.576 4.896 4.320 -0.000 0.000 0.265 100 K C 0.827 177.423 176.600 -0.006 0.000 1.000 100 K CA -0.775 55.487 56.287 -0.041 0.000 0.943 100 K CB 0.939 33.402 32.500 -0.061 0.000 0.950 100 K HN 0.224 nan 8.250 nan 0.000 0.485 101 L N 2.877 124.106 121.223 0.010 0.000 2.506 101 L HA -0.098 4.241 4.340 -0.000 0.000 0.281 101 L C 1.647 178.529 176.870 0.020 0.000 1.228 101 L CA -0.420 54.431 54.840 0.019 0.000 0.850 101 L CB -0.048 42.025 42.059 0.022 0.000 1.110 101 L HN 0.730 nan 8.230 nan 0.000 0.496 102 L N 2.715 123.950 121.223 0.019 0.000 2.079 102 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 102 L C 2.623 179.506 176.870 0.021 0.000 1.081 102 L CA 2.256 57.110 54.840 0.023 0.000 0.752 102 L CB -0.485 41.587 42.059 0.021 0.000 0.896 102 L HN 0.919 nan 8.230 nan 0.000 0.433 103 S N -1.889 113.817 115.700 0.010 0.000 2.368 103 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 103 S C 1.920 176.526 174.600 0.011 0.000 1.030 103 S CA 1.336 59.536 58.200 0.000 0.000 0.999 103 S CB -1.241 61.946 63.200 -0.023 0.000 0.844 103 S HN 0.258 nan 8.310 nan 0.000 0.459 104 V N 2.435 122.362 119.914 0.022 0.000 2.490 104 V HA -0.071 4.049 4.120 -0.000 0.000 0.250 104 V C 3.080 179.232 176.094 0.097 0.000 1.061 104 V CA 1.564 63.901 62.300 0.062 0.000 1.064 104 V CB -1.459 30.410 31.823 0.077 0.000 0.670 104 V HN 0.685 nan 8.190 nan 0.000 0.461 105 A N -0.495 122.369 122.820 0.072 0.000 1.929 105 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 105 A C 2.186 179.813 177.584 0.072 0.000 1.176 105 A CA 1.472 53.557 52.037 0.081 0.000 0.628 105 A CB -0.343 18.692 19.000 0.058 0.000 0.816 105 A HN 0.576 nan 8.150 nan 0.000 0.444 106 E N -1.246 118.984 120.200 0.051 0.000 2.072 106 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 106 E C 1.951 178.574 176.600 0.039 0.000 0.985 106 E CA 1.471 57.896 56.400 0.041 0.000 0.801 106 E CB -0.212 29.505 29.700 0.028 0.000 0.750 106 E HN 0.555 nan 8.360 nan 0.000 0.452 107 M N 1.235 120.858 119.600 0.037 0.000 2.117 107 M HA -0.188 4.291 4.480 -0.000 0.000 0.262 107 M C 1.901 178.231 176.300 0.050 0.000 1.065 107 M CA 1.672 56.988 55.300 0.027 0.000 1.114 107 M CB -0.134 32.474 32.600 0.013 0.000 1.361 107 M HN 0.008 nan 8.290 nan 0.000 0.408 108 E N -0.899 119.361 120.200 0.101 0.000 2.118 108 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 108 E C 1.748 178.414 176.600 0.109 0.000 0.992 108 E CA 1.629 58.115 56.400 0.144 0.000 0.804 108 E CB -0.033 29.815 29.700 0.246 0.000 0.741 108 E HN 0.418 nan 8.360 nan 0.000 0.458 109 V N 1.687 121.648 119.914 0.079 0.000 2.407 109 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 109 V C 1.815 177.931 176.094 0.037 0.000 1.055 109 V CA 1.976 64.307 62.300 0.052 0.000 1.049 109 V CB -0.446 31.401 31.823 0.041 0.000 0.662 109 V HN 0.267 nan 8.190 nan 0.000 0.455 110 D N 0.079 120.498 120.400 0.033 0.000 2.117 110 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 110 D C 2.176 178.490 176.300 0.025 0.000 0.982 110 D CA 1.224 55.234 54.000 0.017 0.000 0.828 110 D CB -0.213 40.588 40.800 0.001 0.000 0.967 110 D HN 0.327 nan 8.370 nan 0.000 0.464 111 V N 1.100 121.036 119.914 0.036 0.000 2.427 111 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 111 V C 2.459 178.652 176.094 0.165 0.000 1.051 111 V CA 1.710 64.042 62.300 0.053 0.000 1.048 111 V CB -0.812 31.031 31.823 0.034 0.000 0.666 111 V HN 0.208 nan 8.190 nan 0.000 0.456 112 T N 0.771 115.421 114.554 0.160 0.000 2.665 112 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 112 T C 2.061 176.812 174.700 0.086 0.000 1.035 112 T CA 1.903 64.092 62.100 0.147 0.000 1.151 112 T CB -0.441 68.455 68.868 0.047 0.000 0.862 112 T HN 0.591 nan 8.240 nan 0.000 0.438 113 A N 1.643 124.479 122.820 0.026 0.000 1.929 113 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 113 A C 2.628 180.240 177.584 0.046 0.000 1.176 113 A CA 2.049 54.082 52.037 -0.007 0.000 0.628 113 A CB -1.126 17.860 19.000 -0.023 0.000 0.816 113 A HN 0.637 nan 8.150 nan 0.000 0.444 114 T N -3.562 111.039 114.554 0.077 0.000 2.951 114 T HA -0.038 4.312 4.350 -0.000 0.000 0.268 114 T C 1.684 176.445 174.700 0.101 0.000 1.073 114 T CA 1.109 63.287 62.100 0.130 0.000 1.134 114 T CB -0.605 68.345 68.868 0.138 0.000 0.884 114 T HN 0.307 nan 8.240 nan 0.000 0.479 115 F N 1.236 121.129 119.950 -0.096 0.000 2.102 115 F HA 0.080 4.607 4.527 -0.000 0.000 0.298 115 F C 2.256 177.989 175.800 -0.112 0.000 1.105 115 F CA 1.014 58.778 58.000 -0.393 0.000 1.239 115 F CB -0.250 38.558 39.000 -0.319 0.000 0.991 115 F HN 0.109 nan 8.300 nan 0.000 0.474 116 I N -0.465 120.193 120.570 0.148 0.000 2.202 116 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 116 I C 1.946 178.124 176.117 0.103 0.000 1.091 116 I CA 1.126 62.487 61.300 0.100 0.000 1.368 116 I CB -0.487 37.535 38.000 0.037 0.000 1.058 116 I HN 0.036 nan 8.210 nan 0.000 0.410 117 D N 0.205 120.664 120.400 0.098 0.000 2.123 117 D HA -0.252 4.388 4.640 -0.000 0.000 0.196 117 D C 1.943 178.307 176.300 0.107 0.000 0.992 117 D CA 1.437 55.492 54.000 0.091 0.000 0.833 117 D CB -0.330 40.523 40.800 0.089 0.000 0.954 117 D HN 0.361 nan 8.370 nan 0.000 0.455 118 Y N 1.420 121.754 120.300 0.056 0.000 2.128 118 Y HA -0.179 4.371 4.550 -0.000 0.000 0.284 118 Y C 2.322 178.250 175.900 0.046 0.000 1.154 118 Y CA 2.170 60.307 58.100 0.063 0.000 1.149 118 Y CB -0.618 37.893 38.460 0.086 0.000 0.976 118 Y HN -0.036 nan 8.280 nan 0.000 0.505 119 G N -0.387 108.448 108.800 0.058 0.000 2.529 119 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 119 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 119 G C 1.735 176.579 174.900 -0.094 0.000 1.177 119 G CA 1.518 46.602 45.100 -0.028 0.000 0.773 119 G HN 0.560 nan 8.290 nan 0.000 0.573 120 C N 0.623 119.902 119.300 -0.036 0.000 2.425 120 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 120 C C 2.497 177.435 174.990 -0.087 0.000 1.280 120 C CA 0.683 59.680 59.018 -0.035 0.000 1.744 120 C CB -0.782 26.965 27.740 0.012 0.000 1.989 120 C HN 0.448 nan 8.230 nan 0.000 0.491 121 D N 0.864 121.181 120.400 -0.139 0.000 2.265 121 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 121 D C 1.653 177.841 176.300 -0.187 0.000 0.977 121 D CA 1.032 54.936 54.000 -0.160 0.000 0.871 121 D CB -0.566 40.111 40.800 -0.206 0.000 0.925 121 D HN 0.585 nan 8.370 nan 0.000 0.485 122 N N -0.111 118.447 118.700 -0.237 0.000 2.336 122 N HA 0.096 4.836 4.740 -0.000 0.000 0.189 122 N C 1.458 176.900 175.510 -0.115 0.000 1.113 122 N CA 0.156 53.091 53.050 -0.192 0.000 0.858 122 N CB 0.627 38.977 38.487 -0.228 0.000 0.970 122 N HN 0.065 nan 8.380 nan 0.000 0.471 123 A N 1.051 123.814 122.820 -0.095 0.000 1.902 123 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 123 A C 1.993 179.538 177.584 -0.064 0.000 1.181 123 A CA 0.956 52.950 52.037 -0.072 0.000 0.623 123 A CB -0.364 18.597 19.000 -0.065 0.000 0.818 123 A HN 0.211 nan 8.150 nan 0.000 0.443 124 L N -0.287 120.899 121.223 -0.061 0.000 2.592 124 L HA 0.042 4.382 4.340 -0.000 0.000 0.227 124 L C 2.077 178.919 176.870 -0.047 0.000 1.127 124 L CA 1.104 55.914 54.840 -0.050 0.000 0.884 124 L CB -0.171 41.862 42.059 -0.044 0.000 1.065 124 L HN 0.597 nan 8.230 nan 0.000 0.457 125 T N -3.762 110.758 114.554 -0.057 0.000 2.990 125 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 125 T C 0.780 175.449 174.700 -0.051 0.000 1.041 125 T CA -0.246 61.822 62.100 -0.054 0.000 1.010 125 T CB -0.003 68.827 68.868 -0.063 0.000 1.003 125 T HN -0.013 nan 8.240 nan 0.000 0.499 126 I N 3.413 123.953 120.570 -0.050 0.000 2.683 126 I HA 0.147 4.317 4.170 -0.000 0.000 0.286 126 I C 0.474 176.575 176.117 -0.026 0.000 1.175 126 I CA 0.302 61.579 61.300 -0.037 0.000 1.429 126 I CB 0.287 38.272 38.000 -0.026 0.000 1.371 126 I HN 0.495 nan 8.210 nan 0.000 0.569 127 E N 5.374 125.560 120.200 -0.024 0.000 2.367 127 E HA 0.695 5.045 4.350 -0.000 0.000 0.273 127 E C -0.670 175.919 176.600 -0.019 0.000 0.903 127 E CA -1.061 55.327 56.400 -0.020 0.000 0.764 127 E CB 1.884 31.569 29.700 -0.026 0.000 1.252 127 E HN 0.530 nan 8.360 nan 0.000 0.446 128 G N 0.791 109.575 108.800 -0.026 0.000 2.557 128 G HA2 0.433 4.393 3.960 -0.000 0.000 0.302 128 G HA3 0.433 4.393 3.960 -0.000 0.000 0.302 128 G C -0.917 173.943 174.900 -0.066 0.000 1.311 128 G CA -0.519 44.550 45.100 -0.051 0.000 1.030 128 G HN 0.577 nan 8.290 nan 0.000 0.509 129 D N -0.506 119.839 120.400 -0.092 0.000 2.481 129 D HA 0.456 5.096 4.640 -0.000 0.000 0.244 129 D C -0.533 175.692 176.300 -0.124 0.000 1.057 129 D CA -0.069 53.877 54.000 -0.090 0.000 0.848 129 D CB 2.478 43.229 40.800 -0.082 0.000 1.388 129 D HN 0.198 nan 8.370 nan 0.000 0.475 130 I N 1.817 122.308 120.570 -0.131 0.000 2.382 130 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 130 I C -0.467 175.513 176.117 -0.228 0.000 1.002 130 I CA -0.575 60.584 61.300 -0.235 0.000 1.135 130 I CB 1.173 39.069 38.000 -0.172 0.000 1.288 130 I HN 0.038 nan 8.210 nan 0.000 0.448 131 L N 7.812 128.861 121.223 -0.291 0.000 2.333 131 L HA 0.651 4.991 4.340 -0.000 0.000 0.269 131 L C -2.186 174.554 176.870 -0.217 0.000 1.010 131 L CA -1.670 53.044 54.840 -0.209 0.000 0.818 131 L CB 2.021 43.968 42.059 -0.187 0.000 1.306 131 L HN 0.361 nan 8.230 nan 0.000 0.430 132 P HA 0.124 nan 4.420 nan 0.000 0.274 132 P C -1.045 176.198 177.300 -0.095 0.000 1.256 132 P CA -0.389 62.645 63.100 -0.111 0.000 0.795 132 P CB 1.532 33.191 31.700 -0.069 0.000 1.038 133 S N -0.591 115.073 115.700 -0.060 0.000 2.568 133 S HA 0.279 4.749 4.470 -0.000 0.000 0.302 133 S C 0.530 175.134 174.600 0.006 0.000 1.082 133 S CA -0.603 57.589 58.200 -0.013 0.000 1.009 133 S CB 0.563 63.770 63.200 0.011 0.000 1.069 133 S HN 0.216 nan 8.310 nan 0.000 0.500 134 D N 1.768 122.184 120.400 0.027 0.000 2.348 134 D HA 0.075 4.715 4.640 -0.000 0.000 0.216 134 D C -0.130 176.184 176.300 0.023 0.000 0.970 134 D CA 0.827 54.840 54.000 0.022 0.000 0.889 134 D CB -0.110 40.706 40.800 0.027 0.000 0.912 134 D HN 0.394 nan 8.370 nan 0.000 0.524 135 N N 1.155 119.874 118.700 0.032 0.000 2.456 135 N HA 0.138 4.878 4.740 -0.000 0.000 0.288 135 N C 0.095 175.618 175.510 0.022 0.000 1.059 135 N CA -0.285 52.783 53.050 0.029 0.000 0.946 135 N CB 1.468 39.981 38.487 0.043 0.000 1.150 135 N HN 0.065 nan 8.380 nan 0.000 0.479 136 Q N 0.288 120.098 119.800 0.017 0.000 2.417 136 Q HA 0.023 4.363 4.340 -0.000 0.000 0.241 136 Q C -0.475 175.537 176.000 0.019 0.000 1.008 136 Q CA 0.238 56.049 55.803 0.013 0.000 0.901 136 Q CB 0.492 29.236 28.738 0.010 0.000 1.259 136 Q HN 0.489 nan 8.270 nan 0.000 0.489 137 D N 1.305 121.715 120.400 0.016 0.000 2.772 137 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 137 D C -0.761 175.560 176.300 0.035 0.000 1.143 137 D CA 1.322 55.337 54.000 0.024 0.000 0.700 137 D CB -0.600 40.215 40.800 0.025 0.000 1.076 137 D HN 0.565 nan 8.370 nan 0.000 0.430 138 E N -0.213 120.005 120.200 0.029 0.000 2.366 138 E HA 0.477 4.827 4.350 -0.000 0.000 0.278 138 E C -1.102 175.495 176.600 -0.006 0.000 0.923 138 E CA -0.728 55.697 56.400 0.043 0.000 0.761 138 E CB 1.798 31.535 29.700 0.062 0.000 1.231 138 E HN -0.093 nan 8.360 nan 0.000 0.443 139 K N 3.144 123.528 120.400 -0.027 0.000 2.422 139 K HA 0.510 4.830 4.320 -0.000 0.000 0.251 139 K C -0.869 175.524 176.600 -0.346 0.000 0.933 139 K CA -0.717 55.430 56.287 -0.234 0.000 0.798 139 K CB 1.899 34.193 32.500 -0.344 0.000 1.238 139 K HN 0.421 nan 8.250 nan 0.000 0.428 140 I N 2.658 122.931 120.570 -0.495 0.000 2.392 140 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 140 I C -0.966 174.759 176.117 -0.654 0.000 0.985 140 I CA -0.801 60.175 61.300 -0.540 0.000 1.221 140 I CB 0.644 38.315 38.000 -0.549 0.000 1.366 140 I HN 0.430 nan 8.210 nan 0.000 0.467 141 Y N 5.735 125.905 120.300 -0.217 0.000 2.409 141 Y HA 0.602 5.151 4.550 -0.000 0.000 0.343 141 Y C -0.185 175.577 175.900 -0.230 0.000 0.973 141 Y CA -0.800 57.160 58.100 -0.234 0.000 1.064 141 Y CB 1.779 40.106 38.460 -0.221 0.000 1.207 141 Y HN 0.298 nan 8.280 nan 0.000 0.452 142 I N 4.378 124.868 120.570 -0.134 0.000 2.420 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.282 142 I C -0.493 175.543 176.117 -0.134 0.000 1.019 142 I CA -0.544 60.711 61.300 -0.075 0.000 1.130 142 I CB 0.581 38.553 38.000 -0.047 0.000 1.262 142 I HN 0.628 nan 8.210 nan 0.000 0.454 143 H N 5.893 124.992 119.070 0.049 0.000 2.488 143 H HA 0.466 5.022 4.556 -0.000 0.000 0.347 143 H C -0.502 174.843 175.328 0.029 0.000 1.174 143 H CA -0.680 55.388 56.048 0.033 0.000 1.307 143 H CB 1.716 31.489 29.762 0.019 0.000 1.517 143 H HN 0.354 nan 8.280 nan 0.000 0.554 144 K N 2.025 122.509 120.400 0.140 0.000 2.244 144 K HA 0.437 4.757 4.320 -0.000 0.000 0.260 144 K C -0.370 176.283 176.600 0.087 0.000 0.951 144 K CA -0.743 55.600 56.287 0.094 0.000 0.826 144 K CB 2.496 35.033 32.500 0.062 0.000 1.108 144 K HN 0.412 nan 8.250 nan 0.000 0.433 145 V N -0.708 119.252 119.914 0.077 0.000 3.102 145 V HA 0.579 4.699 4.120 -0.000 0.000 0.312 145 V C -2.864 173.271 176.094 0.069 0.000 1.135 145 V CA -2.874 59.461 62.300 0.059 0.000 1.022 145 V CB 1.832 33.682 31.823 0.045 0.000 1.056 145 V HN 0.458 nan 8.190 nan 0.000 0.436 146 P HA 0.331 nan 4.420 nan 0.000 0.270 146 P C 0.183 177.536 177.300 0.089 0.000 1.227 146 P CA -0.042 63.114 63.100 0.092 0.000 0.788 146 P CB 0.513 32.269 31.700 0.094 0.000 0.926 147 R N 0.702 121.265 120.500 0.106 0.000 2.112 147 R HA 0.260 4.600 4.340 -0.000 0.000 0.216 147 R C 1.248 177.589 176.300 0.070 0.000 1.080 147 R CA 1.007 57.158 56.100 0.084 0.000 0.996 147 R CB -0.272 30.082 30.300 0.090 0.000 0.902 147 R HN 0.783 nan 8.270 nan 0.000 0.449 148 G N 0.332 109.182 108.800 0.084 0.000 2.178 148 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.147 148 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.147 148 G C -0.998 173.943 174.900 0.069 0.000 1.245 148 G CA -0.259 44.880 45.100 0.065 0.000 1.275 148 G HN 0.208 nan 8.290 nan 0.000 0.491 149 V N 0.646 120.584 119.914 0.041 0.000 2.432 149 V HA 0.787 4.907 4.120 -0.000 0.000 0.275 149 V C 0.121 176.243 176.094 0.047 0.000 1.043 149 V CA -0.617 61.703 62.300 0.034 0.000 0.925 149 V CB 1.115 32.940 31.823 0.005 0.000 0.985 149 V HN 1.054 nan 8.190 nan 0.000 0.466 150 V N 6.119 126.075 119.914 0.070 0.000 2.472 150 V HA 0.469 4.589 4.120 -0.000 0.000 0.290 150 V C 0.122 176.259 176.094 0.072 0.000 1.037 150 V CA -0.473 61.886 62.300 0.098 0.000 0.908 150 V CB 1.759 33.697 31.823 0.192 0.000 0.985 150 V HN 0.819 nan 8.190 nan 0.000 0.454 151 V N 3.570 123.523 119.914 0.064 0.000 2.398 151 V HA 0.705 4.825 4.120 -0.000 0.000 0.286 151 V C 0.650 176.787 176.094 0.071 0.000 1.026 151 V CA -0.220 62.112 62.300 0.053 0.000 0.868 151 V CB 1.667 33.510 31.823 0.033 0.000 0.982 151 V HN 0.987 nan 8.190 nan 0.000 0.443 152 G N 4.998 113.840 108.800 0.070 0.000 2.416 152 G HA2 0.728 4.688 3.960 -0.000 0.000 0.324 152 G HA3 0.728 4.688 3.960 -0.000 0.000 0.324 152 G C -0.962 173.974 174.900 0.059 0.000 1.194 152 G CA -0.441 44.705 45.100 0.076 0.000 0.922 152 G HN 0.615 nan 8.290 nan 0.000 0.467 153 I N 2.467 123.071 120.570 0.056 0.000 2.410 153 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 153 I C 0.554 176.699 176.117 0.047 0.000 1.009 153 I CA -0.638 60.693 61.300 0.051 0.000 1.111 153 I CB 2.186 40.213 38.000 0.046 0.000 1.262 153 I HN 0.586 nan 8.210 nan 0.000 0.443 154 T N 2.663 117.248 114.554 0.051 0.000 2.912 154 T HA 0.829 5.179 4.350 -0.000 0.000 0.280 154 T C 0.120 174.846 174.700 0.043 0.000 0.989 154 T CA -0.728 61.400 62.100 0.046 0.000 0.995 154 T CB 2.007 70.908 68.868 0.056 0.000 1.077 154 T HN 0.535 nan 8.240 nan 0.000 0.531 155 A N 0.716 123.548 122.820 0.019 0.000 2.248 155 A HA 0.576 4.895 4.320 -0.000 0.000 0.316 155 A C 1.045 178.647 177.584 0.030 0.000 1.101 155 A CA -1.003 51.004 52.037 -0.050 0.000 0.875 155 A CB 0.326 19.220 19.000 -0.177 0.000 1.207 155 A HN 1.114 nan 8.150 nan 0.000 0.504 156 W N 0.587 121.921 121.300 0.057 0.000 2.863 156 W HA -0.028 4.632 4.660 -0.000 0.000 0.258 156 W C 0.987 177.516 176.519 0.018 0.000 1.298 156 W CA 0.751 58.117 57.345 0.035 0.000 1.451 156 W CB -0.534 28.935 29.460 0.014 0.000 1.107 156 W HN 0.844 nan 8.180 nan 0.000 0.641 157 N N 1.756 120.376 118.700 -0.132 0.000 2.270 157 N HA -0.164 4.576 4.740 -0.000 0.000 0.181 157 N C -0.118 175.132 175.510 -0.433 0.000 1.016 157 N CA 0.785 53.717 53.050 -0.197 0.000 0.870 157 N CB -1.104 37.191 38.487 -0.319 0.000 0.979 157 N HN 0.132 nan 8.380 nan 0.000 0.431 158 F N -0.234 119.750 119.950 0.056 0.000 2.646 158 F HA 0.429 4.956 4.527 -0.000 0.000 0.336 158 F C -1.834 174.004 175.800 0.063 0.000 1.437 158 F CA -1.922 56.117 58.000 0.065 0.000 1.142 158 F CB 2.112 41.144 39.000 0.053 0.000 1.530 158 F HN -0.145 nan 8.300 nan 0.000 0.591 159 P HA -0.197 nan 4.420 nan 0.000 0.216 159 P C 1.863 179.238 177.300 0.126 0.000 1.153 159 P CA 1.194 64.379 63.100 0.142 0.000 0.858 159 P CB 0.556 32.330 31.700 0.123 0.000 0.789 160 L N -1.066 120.240 121.223 0.138 0.000 2.127 160 L HA 0.087 4.427 4.340 -0.000 0.000 0.203 160 L C 2.386 179.317 176.870 0.102 0.000 1.080 160 L CA 1.523 56.427 54.840 0.106 0.000 0.768 160 L CB -1.498 40.622 42.059 0.101 0.000 0.924 160 L HN -0.148 nan 8.230 nan 0.000 0.444 161 A N -0.733 122.182 122.820 0.159 0.000 1.902 161 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 161 A C 2.233 179.816 177.584 -0.001 0.000 1.181 161 A CA 1.717 53.856 52.037 0.170 0.000 0.623 161 A CB -0.798 18.326 19.000 0.207 0.000 0.818 161 A HN 0.409 nan 8.150 nan 0.000 0.443 162 L N -0.881 120.348 121.223 0.011 0.000 2.093 162 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 162 L C 3.081 179.894 176.870 -0.095 0.000 1.085 162 L CA 0.877 55.670 54.840 -0.078 0.000 0.755 162 L CB -0.523 41.549 42.059 0.020 0.000 0.904 162 L HN 0.454 nan 8.230 nan 0.000 0.435 163 A N 0.422 123.229 122.820 -0.022 0.000 1.858 163 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 163 A C 2.423 179.976 177.584 -0.052 0.000 1.190 163 A CA 1.765 53.796 52.037 -0.009 0.000 0.617 163 A CB -1.368 17.654 19.000 0.037 0.000 0.827 163 A HN 0.416 nan 8.150 nan 0.000 0.443 164 G N -0.681 108.082 108.800 -0.061 0.000 2.446 164 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 164 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 164 G C 1.726 176.500 174.900 -0.211 0.000 1.168 164 G CA 1.161 46.226 45.100 -0.057 0.000 0.771 164 G HN 0.568 nan 8.290 nan 0.000 0.551 165 R N 0.478 120.592 120.500 -0.643 0.000 2.139 165 R HA -0.096 4.244 4.340 -0.000 0.000 0.243 165 R C 2.358 178.429 176.300 -0.382 0.000 1.145 165 R CA 1.763 57.209 56.100 -1.091 0.000 0.976 165 R CB -0.115 29.347 30.300 -1.397 0.000 0.866 165 R HN 0.361 nan 8.270 nan 0.000 0.449 166 K N -0.483 119.798 120.400 -0.198 0.000 2.141 166 K HA 0.063 4.383 4.320 -0.000 0.000 0.202 166 K C 2.035 178.590 176.600 -0.076 0.000 1.045 166 K CA 0.392 56.652 56.287 -0.045 0.000 0.971 166 K CB 0.081 32.605 32.500 0.040 0.000 0.795 166 K HN 0.028 nan 8.250 nan 0.000 0.459 167 I N 1.839 122.389 120.570 -0.033 0.000 2.113 167 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 167 I C 2.435 178.550 176.117 -0.004 0.000 1.064 167 I CA 1.984 63.296 61.300 0.019 0.000 1.320 167 I CB -1.966 36.107 38.000 0.122 0.000 1.028 167 I HN 0.280 nan 8.210 nan 0.000 0.406 168 G N 2.573 111.368 108.800 -0.009 0.000 2.587 168 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 168 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 168 G C -0.377 174.489 174.900 -0.056 0.000 1.240 168 G CA 1.280 46.391 45.100 0.018 0.000 0.794 168 G HN 0.345 nan 8.290 nan 0.000 0.580 169 P HA -0.056 nan 4.420 nan 0.000 0.216 169 P C 2.066 179.039 177.300 -0.545 0.000 1.153 169 P CA 2.187 65.081 63.100 -0.343 0.000 0.848 169 P CB -0.249 31.174 31.700 -0.462 0.000 0.787 170 A N 0.353 122.731 122.820 -0.736 0.000 1.858 170 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 170 A C 2.461 180.043 177.584 -0.003 0.000 1.190 170 A CA 1.544 53.360 52.037 -0.367 0.000 0.617 170 A CB -1.552 17.357 19.000 -0.151 0.000 0.827 170 A HN 0.102 nan 8.150 nan 0.000 0.443 171 L N -1.207 120.051 121.223 0.059 0.000 2.072 171 L HA -0.093 4.246 4.340 -0.000 0.000 0.205 171 L C 2.485 179.596 176.870 0.401 0.000 1.079 171 L CA 0.925 55.945 54.840 0.300 0.000 0.752 171 L CB -0.578 41.616 42.059 0.224 0.000 0.906 171 L HN 0.370 nan 8.230 nan 0.000 0.436 172 I N 0.743 121.422 120.570 0.181 0.000 2.423 172 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 172 I C 2.277 178.410 176.117 0.027 0.000 1.151 172 I CA 1.805 63.157 61.300 0.087 0.000 1.421 172 I CB -0.270 37.744 38.000 0.023 0.000 1.079 172 I HN 0.312 nan 8.210 nan 0.000 0.431 173 T N -2.434 112.156 114.554 0.059 0.000 3.144 173 T HA 0.388 4.738 4.350 -0.000 0.000 0.249 173 T C 1.411 176.155 174.700 0.072 0.000 1.089 173 T CA 0.223 62.355 62.100 0.054 0.000 0.989 173 T CB -0.310 68.612 68.868 0.090 0.000 0.992 173 T HN 0.563 nan 8.240 nan 0.000 0.540 174 G N 1.582 110.445 108.800 0.105 0.000 2.132 174 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.234 174 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.234 174 G C -0.128 174.961 174.900 0.314 0.000 0.989 174 G CA -0.361 44.788 45.100 0.083 0.000 0.676 174 G HN 0.585 nan 8.290 nan 0.000 0.522 175 N N 0.559 119.456 118.700 0.329 0.000 2.476 175 N HA 0.595 5.335 4.740 -0.000 0.000 0.275 175 N C 0.529 176.170 175.510 0.219 0.000 1.190 175 N CA 0.632 53.835 53.050 0.255 0.000 0.977 175 N CB 1.246 39.853 38.487 0.200 0.000 1.200 175 N HN 0.503 nan 8.380 nan 0.000 0.515 176 T N -2.470 112.130 114.554 0.078 0.000 2.950 176 T HA 0.660 5.010 4.350 -0.000 0.000 0.288 176 T C -0.127 174.551 174.700 -0.036 0.000 1.035 176 T CA -0.874 61.175 62.100 -0.084 0.000 1.028 176 T CB 1.754 70.548 68.868 -0.123 0.000 1.109 176 T HN 0.444 nan 8.240 nan 0.000 0.514 177 M N 1.991 121.546 119.600 -0.076 0.000 2.395 177 M HA 0.611 5.090 4.480 -0.000 0.000 0.307 177 M C -1.969 174.321 176.300 -0.018 0.000 1.091 177 M CA -0.882 54.406 55.300 -0.019 0.000 0.919 177 M CB 1.919 34.517 32.600 -0.003 0.000 1.662 177 M HN 0.547 nan 8.290 nan 0.000 0.440 178 V N 5.531 125.449 119.914 0.007 0.000 2.347 178 V HA 0.434 4.554 4.120 -0.000 0.000 0.280 178 V C -0.817 175.297 176.094 0.034 0.000 1.021 178 V CA -0.743 61.566 62.300 0.015 0.000 0.847 178 V CB 1.281 33.109 31.823 0.008 0.000 0.990 178 V HN 0.736 nan 8.190 nan 0.000 0.444 179 L N 5.604 126.853 121.223 0.044 0.000 2.296 179 L HA 0.693 5.033 4.340 -0.000 0.000 0.286 179 L C -0.353 176.553 176.870 0.059 0.000 1.023 179 L CA -0.439 54.434 54.840 0.054 0.000 0.812 179 L CB 1.428 43.523 42.059 0.059 0.000 1.223 179 L HN 0.642 nan 8.230 nan 0.000 0.421 180 K N 6.982 127.416 120.400 0.057 0.000 2.507 180 K HA 0.651 4.971 4.320 -0.000 0.000 0.253 180 K C -2.756 173.882 176.600 0.063 0.000 0.969 180 K CA -1.860 54.462 56.287 0.058 0.000 0.908 180 K CB 1.307 33.837 32.500 0.049 0.000 1.127 180 K HN 0.322 nan 8.250 nan 0.000 0.437 181 P HA 0.145 nan 4.420 nan 0.000 0.278 181 P C -0.603 176.744 177.300 0.080 0.000 1.266 181 P CA -0.565 62.582 63.100 0.077 0.000 0.807 181 P CB 0.590 32.337 31.700 0.079 0.000 1.094 182 T N -2.237 112.379 114.554 0.102 0.000 2.856 182 T HA 0.026 4.376 4.350 -0.000 0.000 0.306 182 T C 1.352 176.094 174.700 0.071 0.000 1.062 182 T CA -0.187 61.980 62.100 0.110 0.000 1.083 182 T CB 0.094 69.079 68.868 0.195 0.000 0.984 182 T HN 0.561 nan 8.240 nan 0.000 0.542 183 Q N 0.432 120.262 119.800 0.050 0.000 2.437 183 Q HA -0.098 4.242 4.340 -0.000 0.000 0.210 183 Q C 1.243 177.237 176.000 -0.010 0.000 0.972 183 Q CA 1.310 57.124 55.803 0.018 0.000 0.903 183 Q CB -0.147 28.599 28.738 0.012 0.000 0.967 183 Q HN 0.820 nan 8.270 nan 0.000 0.486 184 E N 1.222 121.417 120.200 -0.008 0.000 2.190 184 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 184 E C 0.349 176.921 176.600 -0.046 0.000 0.978 184 E CA 1.460 57.822 56.400 -0.062 0.000 0.839 184 E CB 0.794 30.411 29.700 -0.139 0.000 0.787 184 E HN 0.522 nan 8.360 nan 0.000 0.473 185 T N -2.183 112.384 114.554 0.021 0.000 3.658 185 T HA 0.293 4.643 4.350 -0.000 0.000 0.245 185 T C -2.532 172.193 174.700 0.042 0.000 1.292 185 T CA -1.405 60.715 62.100 0.033 0.000 1.598 185 T CB 1.218 70.151 68.868 0.108 0.000 0.861 185 T HN -0.113 nan 8.240 nan 0.000 0.663 186 P HA 0.341 nan 4.420 nan 0.000 0.272 186 P C 1.317 178.634 177.300 0.028 0.000 1.276 186 P CA -0.268 62.849 63.100 0.028 0.000 0.871 186 P CB 0.467 32.177 31.700 0.017 0.000 1.313 187 L N -0.064 121.148 121.223 -0.019 0.000 2.049 187 L HA 0.023 4.363 4.340 -0.000 0.000 0.203 187 L C 2.727 179.678 176.870 0.136 0.000 1.074 187 L CA 1.598 56.437 54.840 -0.001 0.000 0.749 187 L CB -1.333 40.556 42.059 -0.284 0.000 0.907 187 L HN -0.106 nan 8.230 nan 0.000 0.439 188 A N -0.147 122.757 122.820 0.141 0.000 1.933 188 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 188 A C 2.340 179.992 177.584 0.113 0.000 1.175 188 A CA 2.348 54.472 52.037 0.144 0.000 0.628 188 A CB -0.946 18.129 19.000 0.126 0.000 0.814 188 A HN 0.431 nan 8.150 nan 0.000 0.444 189 T N -0.385 114.230 114.554 0.102 0.000 2.867 189 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 189 T C 1.894 176.656 174.700 0.104 0.000 1.057 189 T CA 1.773 63.930 62.100 0.095 0.000 1.136 189 T CB -0.450 68.471 68.868 0.089 0.000 0.874 189 T HN 0.547 nan 8.240 nan 0.000 0.466 190 T N 1.608 116.239 114.554 0.129 0.000 2.904 190 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 190 T C 1.899 176.735 174.700 0.227 0.000 1.059 190 T CA 0.974 63.188 62.100 0.189 0.000 1.137 190 T CB -0.222 68.768 68.868 0.203 0.000 0.879 190 T HN 0.302 nan 8.240 nan 0.000 0.467 191 E N 1.346 121.648 120.200 0.169 0.000 2.219 191 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 191 E C 1.840 178.499 176.600 0.098 0.000 0.998 191 E CA 0.792 57.279 56.400 0.145 0.000 0.818 191 E CB -0.662 29.105 29.700 0.111 0.000 0.741 191 E HN 0.491 nan 8.360 nan 0.000 0.477 192 L N -0.932 120.329 121.223 0.063 0.000 2.191 192 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 192 L C 2.373 179.154 176.870 -0.148 0.000 1.103 192 L CA 0.948 55.822 54.840 0.057 0.000 0.769 192 L CB -0.841 41.295 42.059 0.129 0.000 0.908 192 L HN 0.296 nan 8.230 nan 0.000 0.438 193 G N 0.254 108.771 108.800 -0.472 0.000 2.491 193 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 193 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 193 G C 1.702 175.935 174.900 -1.112 0.000 1.180 193 G CA 1.060 45.178 45.100 -1.636 0.000 0.774 193 G HN 0.306 nan 8.290 nan 0.000 0.562 194 R N 0.216 120.518 120.500 -0.330 0.000 2.080 194 R HA -0.058 4.282 4.340 -0.000 0.000 0.236 194 R C 2.675 178.961 176.300 -0.023 0.000 1.137 194 R CA 1.702 57.801 56.100 -0.002 0.000 0.943 194 R CB -0.427 29.990 30.300 0.194 0.000 0.846 194 R HN 0.448 nan 8.270 nan 0.000 0.431 195 I N 0.891 121.472 120.570 0.019 0.000 2.163 195 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 195 I C 2.652 178.843 176.117 0.124 0.000 1.085 195 I CA 1.433 62.807 61.300 0.124 0.000 1.347 195 I CB -0.482 37.642 38.000 0.207 0.000 1.044 195 I HN 0.348 nan 8.210 nan 0.000 0.408 196 A N 0.498 123.280 122.820 -0.062 0.000 1.933 196 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 196 A C 2.404 179.833 177.584 -0.259 0.000 1.175 196 A CA 1.922 53.651 52.037 -0.512 0.000 0.628 196 A CB -0.512 17.997 19.000 -0.819 0.000 0.814 196 A HN 0.365 nan 8.150 nan 0.000 0.444 197 K N -0.292 120.027 120.400 -0.135 0.000 2.057 197 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 197 K C 1.853 178.459 176.600 0.011 0.000 1.050 197 K CA 1.446 57.727 56.287 -0.011 0.000 0.935 197 K CB -0.161 32.393 32.500 0.090 0.000 0.715 197 K HN 0.609 nan 8.250 nan 0.000 0.439 198 E N -0.252 119.965 120.200 0.029 0.000 2.204 198 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 198 E C 1.492 178.126 176.600 0.058 0.000 0.990 198 E CA 0.948 57.380 56.400 0.054 0.000 0.821 198 E CB 0.004 29.748 29.700 0.072 0.000 0.750 198 E HN 0.364 nan 8.360 nan 0.000 0.477 199 A N 0.148 123.001 122.820 0.055 0.000 2.251 199 A HA 0.285 4.605 4.320 -0.000 0.000 0.209 199 A C 1.600 179.211 177.584 0.045 0.000 1.187 199 A CA 0.677 52.762 52.037 0.079 0.000 0.823 199 A CB -0.107 18.990 19.000 0.162 0.000 0.846 199 A HN 0.296 nan 8.150 nan 0.000 0.486 200 G N -1.331 107.478 108.800 0.015 0.000 2.149 200 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.235 200 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.235 200 G C -0.090 174.820 174.900 0.016 0.000 1.018 200 G CA 0.162 45.276 45.100 0.024 0.000 0.728 200 G HN 0.496 nan 8.290 nan 0.000 0.508 201 L N 1.480 122.668 121.223 -0.058 0.000 2.410 201 L HA 0.497 4.837 4.340 -0.000 0.000 0.273 201 L C -1.384 175.436 176.870 -0.083 0.000 1.152 201 L CA -1.495 53.281 54.840 -0.107 0.000 0.855 201 L CB 0.330 42.194 42.059 -0.325 0.000 1.129 201 L HN -0.023 nan 8.230 nan 0.000 0.463 202 P HA 0.002 nan 4.420 nan 0.000 0.265 202 P C -1.057 176.187 177.300 -0.095 0.000 1.193 202 P CA -0.227 62.862 63.100 -0.019 0.000 0.765 202 P CB 0.273 32.019 31.700 0.076 0.000 0.823 203 D N 2.107 122.465 120.400 -0.070 0.000 2.586 203 D HA 0.179 4.819 4.640 -0.000 0.000 0.234 203 D C 1.637 177.859 176.300 -0.130 0.000 1.132 203 D CA 2.144 56.080 54.000 -0.106 0.000 0.860 203 D CB -0.149 40.592 40.800 -0.098 0.000 1.159 203 D HN 0.672 nan 8.370 nan 0.000 0.490 204 G N 1.106 109.808 108.800 -0.164 0.000 2.175 204 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.244 204 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.244 204 G C 1.210 175.999 174.900 -0.185 0.000 0.982 204 G CA 0.209 45.213 45.100 -0.160 0.000 0.641 204 G HN 0.456 nan 8.290 nan 0.000 0.527 205 V N -0.139 119.608 119.914 -0.278 0.000 2.323 205 V HA 0.256 4.376 4.120 -0.000 0.000 0.244 205 V C 1.267 177.137 176.094 -0.375 0.000 1.041 205 V CA 1.936 63.946 62.300 -0.483 0.000 1.025 205 V CB -0.043 31.215 31.823 -0.942 0.000 0.656 205 V HN 0.499 nan 8.190 nan 0.000 0.451 206 L N 1.659 122.719 121.223 -0.272 0.000 2.305 206 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 206 L C -0.659 176.219 176.870 0.014 0.000 1.013 206 L CA 0.039 54.794 54.840 -0.142 0.000 0.819 206 L CB 1.136 43.085 42.059 -0.184 0.000 1.227 206 L HN 0.173 nan 8.230 nan 0.000 0.417 207 N N 4.266 122.982 118.700 0.027 0.000 2.284 207 N HA 0.537 5.277 4.740 -0.000 0.000 0.300 207 N C -1.502 174.072 175.510 0.107 0.000 1.047 207 N CA -0.518 52.584 53.050 0.087 0.000 0.821 207 N CB 2.791 41.275 38.487 -0.005 0.000 1.337 207 N HN 0.320 nan 8.380 nan 0.000 0.482 208 V N 2.806 122.824 119.914 0.173 0.000 2.350 208 V HA 0.461 4.581 4.120 -0.000 0.000 0.285 208 V C 0.041 176.211 176.094 0.127 0.000 1.014 208 V CA -0.677 61.709 62.300 0.143 0.000 0.831 208 V CB 1.480 33.399 31.823 0.160 0.000 1.000 208 V HN 0.595 nan 8.190 nan 0.000 0.433 209 I N 4.923 125.545 120.570 0.087 0.000 2.530 209 I HA 0.596 4.766 4.170 -0.000 0.000 0.297 209 I C -0.536 175.622 176.117 0.068 0.000 1.011 209 I CA -0.337 61.006 61.300 0.071 0.000 1.107 209 I CB 1.785 39.811 38.000 0.044 0.000 1.285 209 I HN 0.564 nan 8.210 nan 0.000 0.436 210 N N 4.053 122.792 118.700 0.064 0.000 2.402 210 N HA 0.832 5.572 4.740 -0.000 0.000 0.294 210 N C -0.329 175.205 175.510 0.040 0.000 1.203 210 N CA -0.091 52.992 53.050 0.055 0.000 0.838 210 N CB 2.070 40.592 38.487 0.059 0.000 1.306 210 N HN 0.968 nan 8.380 nan 0.000 0.510 211 G N -0.627 108.193 108.800 0.033 0.000 2.293 211 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.282 211 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.282 211 G C -0.773 174.141 174.900 0.024 0.000 1.299 211 G CA -0.424 44.691 45.100 0.025 0.000 1.018 211 G HN 0.667 nan 8.290 nan 0.000 0.478 212 T N -0.702 113.864 114.554 0.020 0.000 2.926 212 T HA 0.484 4.834 4.350 -0.000 0.000 0.307 212 T C 1.828 176.543 174.700 0.026 0.000 1.059 212 T CA 0.906 63.019 62.100 0.020 0.000 1.122 212 T CB 1.274 70.151 68.868 0.015 0.000 0.972 212 T HN 1.991 nan 8.240 nan 0.000 0.545 213 G N 1.390 110.208 108.800 0.029 0.000 2.418 213 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 213 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 213 G C 1.814 176.730 174.900 0.026 0.000 1.158 213 G CA 0.819 45.938 45.100 0.032 0.000 0.771 213 G HN 0.965 nan 8.290 nan 0.000 0.545 214 S N -0.137 115.576 115.700 0.022 0.000 2.419 214 S HA -0.027 4.443 4.470 -0.000 0.000 0.233 214 S C 2.039 176.650 174.600 0.017 0.000 1.016 214 S CA 1.458 59.669 58.200 0.018 0.000 0.974 214 S CB -0.092 63.117 63.200 0.015 0.000 0.786 214 S HN 0.158 nan 8.310 nan 0.000 0.492 215 V N 0.552 120.476 119.914 0.017 0.000 2.721 215 V HA 0.102 4.222 4.120 -0.000 0.000 0.236 215 V C 2.482 178.587 176.094 0.018 0.000 1.116 215 V CA 0.730 63.039 62.300 0.016 0.000 1.148 215 V CB -0.454 31.378 31.823 0.014 0.000 0.886 215 V HN 0.374 nan 8.190 nan 0.000 0.490 216 V N 1.464 121.390 119.914 0.020 0.000 2.270 216 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 216 V C 2.709 178.817 176.094 0.023 0.000 1.043 216 V CA 2.420 64.733 62.300 0.021 0.000 1.014 216 V CB -1.530 30.308 31.823 0.024 0.000 0.645 216 V HN 0.587 nan 8.190 nan 0.000 0.447 217 G N -0.793 108.023 108.800 0.027 0.000 2.446 217 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.217 217 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.217 217 G C 1.542 176.458 174.900 0.025 0.000 1.168 217 G CA 1.225 46.342 45.100 0.029 0.000 0.771 217 G HN 0.483 nan 8.290 nan 0.000 0.551 218 Q N 0.349 120.164 119.800 0.024 0.000 2.096 218 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 218 Q C 2.662 178.676 176.000 0.023 0.000 0.982 218 Q CA 2.279 58.096 55.803 0.024 0.000 0.850 218 Q CB -0.839 27.912 28.738 0.022 0.000 0.901 218 Q HN 0.428 nan 8.270 nan 0.000 0.422 219 T N 0.863 115.429 114.554 0.020 0.000 2.708 219 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 219 T C 1.763 176.471 174.700 0.013 0.000 1.037 219 T CA 1.411 63.522 62.100 0.017 0.000 1.146 219 T CB -0.318 68.558 68.868 0.013 0.000 0.865 219 T HN 0.234 nan 8.240 nan 0.000 0.435 220 L N 0.469 121.699 121.223 0.012 0.000 2.042 220 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 220 L C 2.904 179.779 176.870 0.008 0.000 1.076 220 L CA 1.069 55.914 54.840 0.008 0.000 0.749 220 L CB -0.847 41.221 42.059 0.015 0.000 0.893 220 L HN 0.382 nan 8.230 nan 0.000 0.432 221 C N -0.400 118.910 119.300 0.017 0.000 2.440 221 C HA -0.116 4.344 4.460 -0.000 0.000 0.278 221 C C 2.621 177.631 174.990 0.034 0.000 1.295 221 C CA 0.546 59.576 59.018 0.020 0.000 1.738 221 C CB -0.671 27.082 27.740 0.022 0.000 1.987 221 C HN 0.487 nan 8.230 nan 0.000 0.492 222 E N 0.350 120.576 120.200 0.043 0.000 2.371 222 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 222 E C 1.003 177.659 176.600 0.092 0.000 1.012 222 E CA 0.027 56.478 56.400 0.084 0.000 0.860 222 E CB 0.075 29.818 29.700 0.071 0.000 0.811 222 E HN 0.449 nan 8.360 nan 0.000 0.502 223 S N 0.970 116.673 115.700 0.004 0.000 2.562 223 S HA 0.047 4.517 4.470 -0.000 0.000 0.281 223 S C -1.840 172.597 174.600 -0.272 0.000 1.333 223 S CA -1.420 56.731 58.200 -0.082 0.000 1.052 223 S CB 0.816 63.976 63.200 -0.066 0.000 0.884 223 S HN -0.122 nan 8.310 nan 0.000 0.506 224 P HA 0.093 nan 4.420 nan 0.000 0.229 224 P C 1.174 178.240 177.300 -0.389 0.000 1.160 224 P CA 0.617 63.204 63.100 -0.856 0.000 0.777 224 P CB -0.007 31.181 31.700 -0.853 0.000 0.814 225 I N -1.086 119.348 120.570 -0.227 0.000 2.226 225 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 225 I C 0.550 176.608 176.117 -0.099 0.000 1.100 225 I CA 1.031 62.254 61.300 -0.128 0.000 1.374 225 I CB -1.085 36.864 38.000 -0.085 0.000 1.057 225 I HN -0.105 nan 8.210 nan 0.000 0.413 226 T N 3.063 117.557 114.554 -0.099 0.000 2.793 226 T HA 0.016 4.366 4.350 -0.000 0.000 0.289 226 T C 1.078 175.750 174.700 -0.047 0.000 0.956 226 T CA 0.048 62.116 62.100 -0.054 0.000 1.177 226 T CB 0.652 69.497 68.868 -0.039 0.000 0.897 226 T HN 0.142 nan 8.240 nan 0.000 0.533 227 K N 2.477 122.868 120.400 -0.014 0.000 2.353 227 K HA 0.328 4.648 4.320 -0.000 0.000 0.195 227 K C 0.298 176.906 176.600 0.013 0.000 1.031 227 K CA 0.229 56.516 56.287 0.001 0.000 1.079 227 K CB 0.547 33.056 32.500 0.016 0.000 0.857 227 K HN 0.592 nan 8.250 nan 0.000 0.535 228 M N 0.514 120.124 119.600 0.015 0.000 2.449 228 M HA 0.333 4.812 4.480 -0.000 0.000 0.291 228 M C -1.979 174.328 176.300 0.012 0.000 1.148 228 M CA -0.463 54.840 55.300 0.005 0.000 0.925 228 M CB 1.862 34.466 32.600 0.006 0.000 1.767 228 M HN -0.152 nan 8.290 nan 0.000 0.503 229 I N 2.183 122.749 120.570 -0.006 0.000 2.418 229 I HA 0.396 4.566 4.170 -0.000 0.000 0.287 229 I C -0.255 175.871 176.117 0.015 0.000 1.008 229 I CA -0.635 60.673 61.300 0.012 0.000 1.104 229 I CB 2.112 40.114 38.000 0.004 0.000 1.264 229 I HN 0.598 nan 8.210 nan 0.000 0.438 230 T N 7.773 122.358 114.554 0.050 0.000 2.770 230 T HA 0.597 4.947 4.350 -0.000 0.000 0.283 230 T C -0.726 174.018 174.700 0.073 0.000 0.988 230 T CA -0.497 61.643 62.100 0.067 0.000 0.957 230 T CB 0.724 69.671 68.868 0.132 0.000 0.930 230 T HN 0.545 nan 8.240 nan 0.000 0.443 231 M N 4.526 124.167 119.600 0.068 0.000 2.386 231 M HA 0.470 4.950 4.480 -0.000 0.000 0.293 231 M C -1.600 174.734 176.300 0.057 0.000 1.120 231 M CA -0.259 55.076 55.300 0.058 0.000 0.909 231 M CB 2.092 34.723 32.600 0.052 0.000 1.661 231 M HN 0.600 nan 8.290 nan 0.000 0.452 232 T N 3.245 117.822 114.554 0.040 0.000 2.824 232 T HA 0.888 5.238 4.350 -0.000 0.000 0.282 232 T C -0.017 174.674 174.700 -0.015 0.000 0.993 232 T CA -0.124 61.991 62.100 0.025 0.000 0.967 232 T CB 1.698 70.583 68.868 0.028 0.000 0.960 232 T HN 0.990 nan 8.240 nan 0.000 0.441 233 G N 1.670 110.444 108.800 -0.045 0.000 2.392 233 G HA2 0.463 4.423 3.960 -0.000 0.000 0.260 233 G HA3 0.463 4.423 3.960 -0.000 0.000 0.260 233 G C -0.742 174.085 174.900 -0.122 0.000 1.226 233 G CA -0.324 44.713 45.100 -0.105 0.000 0.913 233 G HN 0.915 nan 8.290 nan 0.000 0.483 234 S N -0.438 115.197 115.700 -0.107 0.000 2.584 234 S HA 0.467 4.937 4.470 -0.000 0.000 0.273 234 S C 1.429 176.024 174.600 -0.008 0.000 1.311 234 S CA 0.943 59.090 58.200 -0.090 0.000 1.034 234 S CB 1.323 64.482 63.200 -0.067 0.000 0.939 234 S HN 0.854 nan 8.310 nan 0.000 0.513 235 T N 2.263 116.840 114.554 0.038 0.000 2.649 235 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 235 T C 1.806 176.532 174.700 0.044 0.000 1.036 235 T CA 1.895 64.041 62.100 0.077 0.000 1.157 235 T CB -0.587 68.371 68.868 0.150 0.000 0.861 235 T HN 0.517 nan 8.240 nan 0.000 0.445 236 V N 1.516 121.450 119.914 0.034 0.000 2.295 236 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 236 V C 2.876 178.983 176.094 0.023 0.000 1.049 236 V CA 1.747 64.061 62.300 0.023 0.000 1.024 236 V CB -1.222 30.613 31.823 0.021 0.000 0.648 236 V HN 0.566 nan 8.190 nan 0.000 0.447 237 A N 0.402 123.235 122.820 0.022 0.000 1.972 237 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 237 A C 2.386 179.991 177.584 0.035 0.000 1.169 237 A CA 1.849 53.902 52.037 0.027 0.000 0.635 237 A CB -1.111 17.903 19.000 0.024 0.000 0.810 237 A HN 0.534 nan 8.150 nan 0.000 0.446 238 G N -0.232 108.592 108.800 0.040 0.000 2.404 238 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 238 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 238 G C 1.659 176.602 174.900 0.072 0.000 1.174 238 G CA 0.971 46.108 45.100 0.061 0.000 0.780 238 G HN 0.533 nan 8.290 nan 0.000 0.537 239 K N 0.002 120.429 120.400 0.046 0.000 2.063 239 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 239 K C 2.551 179.183 176.600 0.053 0.000 1.048 239 K CA 1.564 57.869 56.287 0.029 0.000 0.928 239 K CB -0.114 32.383 32.500 -0.006 0.000 0.713 239 K HN 0.373 nan 8.250 nan 0.000 0.442 240 Q N 1.471 121.296 119.800 0.042 0.000 2.167 240 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 240 Q C 1.705 177.732 176.000 0.045 0.000 0.970 240 Q CA 1.224 57.050 55.803 0.038 0.000 0.855 240 Q CB -0.109 28.645 28.738 0.027 0.000 0.911 240 Q HN 0.329 nan 8.270 nan 0.000 0.438 241 I N -0.497 120.104 120.570 0.052 0.000 2.286 241 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 241 I C 1.801 177.939 176.117 0.034 0.000 1.104 241 I CA 1.003 62.327 61.300 0.040 0.000 1.397 241 I CB -0.327 37.695 38.000 0.037 0.000 1.072 241 I HN 0.238 nan 8.210 nan 0.000 0.417 242 Y N 1.923 122.184 120.300 -0.064 0.000 2.128 242 Y HA -0.343 4.207 4.550 -0.000 0.000 0.284 242 Y C 2.588 178.434 175.900 -0.091 0.000 1.154 242 Y CA 1.916 59.946 58.100 -0.117 0.000 1.149 242 Y CB -0.167 38.194 38.460 -0.164 0.000 0.976 242 Y HN -0.074 nan 8.280 nan 0.000 0.505 243 K N -0.533 119.963 120.400 0.158 0.000 2.020 243 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 243 K C 2.044 178.655 176.600 0.018 0.000 1.050 243 K CA 2.382 58.716 56.287 0.079 0.000 0.929 243 K CB -0.758 31.773 32.500 0.051 0.000 0.714 243 K HN 0.306 nan 8.250 nan 0.000 0.443 244 T N -0.143 114.418 114.554 0.012 0.000 2.759 244 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 244 T C 1.734 176.428 174.700 -0.009 0.000 1.042 244 T CA 1.645 63.748 62.100 0.005 0.000 1.140 244 T CB -0.409 68.468 68.868 0.016 0.000 0.864 244 T HN 0.467 nan 8.240 nan 0.000 0.455 245 S N 1.126 116.791 115.700 -0.058 0.000 2.607 245 S HA 0.290 4.760 4.470 -0.000 0.000 0.224 245 S C 2.196 176.735 174.600 -0.100 0.000 0.969 245 S CA 0.488 58.637 58.200 -0.085 0.000 0.927 245 S CB -0.308 62.780 63.200 -0.186 0.000 0.772 245 S HN 0.471 nan 8.310 nan 0.000 0.533 246 A N 1.973 124.735 122.820 -0.097 0.000 1.930 246 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 246 A C 2.152 179.672 177.584 -0.106 0.000 1.175 246 A CA 1.662 53.645 52.037 -0.090 0.000 0.627 246 A CB -0.847 18.121 19.000 -0.053 0.000 0.815 246 A HN 0.544 nan 8.150 nan 0.000 0.443 247 E N -0.806 119.309 120.200 -0.141 0.000 2.118 247 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 247 E C 0.788 177.080 176.600 -0.513 0.000 0.992 247 E CA 1.596 57.794 56.400 -0.337 0.000 0.804 247 E CB -0.354 29.097 29.700 -0.415 0.000 0.741 247 E HN 0.727 nan 8.360 nan 0.000 0.458 248 Y N -1.135 119.143 120.300 -0.037 0.000 2.557 248 Y HA 0.361 4.911 4.550 -0.000 0.000 0.247 248 Y C 0.205 176.081 175.900 -0.040 0.000 1.164 248 Y CA 0.032 58.113 58.100 -0.032 0.000 1.218 248 Y CB 0.005 38.449 38.460 -0.026 0.000 1.210 248 Y HN -0.127 nan 8.280 nan 0.000 0.529 249 M N 0.759 120.372 119.600 0.022 0.000 2.206 249 M HA -0.235 4.245 4.480 -0.000 0.000 0.197 249 M C -0.526 175.769 176.300 -0.009 0.000 0.375 249 M CA 0.748 56.036 55.300 -0.020 0.000 0.410 249 M CB -1.720 30.872 32.600 -0.013 0.000 1.204 249 M HN 0.099 nan 8.290 nan 0.000 0.932 250 T N 1.389 115.940 114.554 -0.005 0.000 2.769 250 T HA 0.326 4.676 4.350 -0.000 0.000 0.293 250 T C -1.977 172.675 174.700 -0.080 0.000 0.931 250 T CA -0.873 61.218 62.100 -0.015 0.000 1.139 250 T CB 0.360 69.230 68.868 0.003 0.000 0.881 250 T HN 0.148 nan 8.240 nan 0.000 0.532 251 P HA 0.157 nan 4.420 nan 0.000 0.265 251 P C -0.475 176.784 177.300 -0.068 0.000 1.193 251 P CA -0.300 62.769 63.100 -0.052 0.000 0.765 251 P CB 0.321 32.016 31.700 -0.008 0.000 0.823 252 V N 0.970 120.838 119.914 -0.077 0.000 2.769 252 V HA 0.744 4.864 4.120 -0.000 0.000 0.312 252 V C -0.566 175.599 176.094 0.117 0.000 1.061 252 V CA -1.052 61.228 62.300 -0.033 0.000 0.931 252 V CB 2.239 33.989 31.823 -0.121 0.000 1.010 252 V HN 0.505 nan 8.190 nan 0.000 0.433 253 M N 5.251 124.906 119.600 0.091 0.000 2.142 253 M HA 0.694 5.174 4.480 -0.000 0.000 0.299 253 M C -2.367 174.015 176.300 0.136 0.000 0.960 253 M CA -0.488 54.891 55.300 0.132 0.000 0.920 253 M CB 1.423 34.036 32.600 0.021 0.000 1.541 253 M HN 0.798 nan 8.290 nan 0.000 0.429 254 L N 3.824 125.162 121.223 0.191 0.000 2.410 254 L HA 0.596 4.936 4.340 -0.000 0.000 0.270 254 L C -1.079 175.871 176.870 0.133 0.000 0.983 254 L CA -0.708 54.225 54.840 0.155 0.000 0.822 254 L CB 2.246 44.415 42.059 0.183 0.000 1.285 254 L HN 0.613 nan 8.230 nan 0.000 0.409 255 E N 3.301 123.562 120.200 0.101 0.000 2.267 255 E HA 0.586 4.936 4.350 -0.000 0.000 0.248 255 E C -0.826 175.813 176.600 0.065 0.000 0.899 255 E CA -0.135 56.317 56.400 0.086 0.000 0.764 255 E CB 1.427 31.201 29.700 0.123 0.000 1.227 255 E HN 0.403 nan 8.360 nan 0.000 0.421 256 L N 0.271 121.530 121.223 0.058 0.000 2.849 256 L HA 0.724 5.064 4.340 -0.000 0.000 0.230 256 L C 1.295 178.169 176.870 0.005 0.000 1.589 256 L CA -1.285 53.577 54.840 0.037 0.000 1.664 256 L CB -0.042 42.065 42.059 0.080 0.000 2.392 256 L HN 0.489 nan 8.230 nan 0.000 0.586 257 G N -1.465 107.328 108.800 -0.011 0.000 2.683 257 G HA2 0.483 4.443 3.960 -0.000 0.000 0.260 257 G HA3 0.483 4.443 3.960 -0.000 0.000 0.260 257 G C -0.476 174.261 174.900 -0.271 0.000 1.238 257 G CA 0.281 45.269 45.100 -0.187 0.000 0.934 257 G HN 0.783 nan 8.290 nan 0.000 0.534 258 G N -1.563 106.937 108.800 -0.500 0.000 2.684 258 G HA2 0.502 4.462 3.960 -0.000 0.000 0.290 258 G HA3 0.502 4.462 3.960 -0.000 0.000 0.290 258 G C -1.173 173.419 174.900 -0.513 0.000 1.425 258 G CA -0.666 44.186 45.100 -0.412 0.000 0.822 258 G HN 0.566 nan 8.290 nan 0.000 0.482 259 K N 0.430 120.707 120.400 -0.205 0.000 3.084 259 K HA 0.604 4.924 4.320 -0.000 0.000 0.172 259 K C 0.280 176.896 176.600 0.026 0.000 1.078 259 K CA -0.320 55.931 56.287 -0.061 0.000 0.875 259 K CB 0.413 32.964 32.500 0.085 0.000 1.064 259 K HN 0.777 nan 8.250 nan 0.000 0.597 260 A N 3.160 125.995 122.820 0.026 0.000 2.515 260 A HA 0.290 4.610 4.320 -0.000 0.000 0.263 260 A C -2.220 175.437 177.584 0.121 0.000 1.096 260 A CA -0.696 51.389 52.037 0.080 0.000 0.769 260 A CB -0.415 18.672 19.000 0.144 0.000 1.040 260 A HN 0.397 nan 8.150 nan 0.000 0.505 261 P HA 0.398 nan 4.420 nan 0.000 0.284 261 P C -0.657 176.796 177.300 0.256 0.000 1.258 261 P CA -0.513 62.706 63.100 0.199 0.000 0.824 261 P CB 1.352 33.240 31.700 0.314 0.000 1.038 262 M N 2.490 122.210 119.600 0.202 0.000 2.321 262 M HA 0.399 4.879 4.480 -0.000 0.000 0.315 262 M C -1.691 174.709 176.300 0.166 0.000 1.052 262 M CA -0.884 54.537 55.300 0.201 0.000 0.936 262 M CB 1.755 34.405 32.600 0.083 0.000 1.639 262 M HN -0.014 nan 8.290 nan 0.000 0.433 263 V N 5.351 125.365 119.914 0.168 0.000 2.398 263 V HA 0.460 4.580 4.120 -0.000 0.000 0.286 263 V C -0.615 175.521 176.094 0.071 0.000 1.026 263 V CA -0.732 61.647 62.300 0.131 0.000 0.868 263 V CB 1.586 33.472 31.823 0.106 0.000 0.982 263 V HN 0.674 nan 8.190 nan 0.000 0.443 264 V N 5.939 125.837 119.914 -0.025 0.000 2.313 264 V HA 0.402 4.522 4.120 -0.000 0.000 0.278 264 V C 0.280 176.362 176.094 -0.021 0.000 1.017 264 V CA -0.452 61.791 62.300 -0.094 0.000 0.823 264 V CB 1.177 32.735 31.823 -0.441 0.000 1.010 264 V HN 0.723 nan 8.190 nan 0.000 0.443 265 M N 3.226 122.844 119.600 0.031 0.000 2.197 265 M HA 0.246 4.726 4.480 -0.000 0.000 0.305 265 M C 1.512 177.783 176.300 -0.048 0.000 1.162 265 M CA -0.277 55.040 55.300 0.027 0.000 1.099 265 M CB 0.728 33.338 32.600 0.017 0.000 1.430 265 M HN 0.797 nan 8.290 nan 0.000 0.481 266 D N 0.338 120.595 120.400 -0.238 0.000 2.310 266 D HA -0.176 4.464 4.640 -0.000 0.000 0.212 266 D C 0.395 176.617 176.300 -0.130 0.000 0.965 266 D CA 1.002 54.823 54.000 -0.298 0.000 0.879 266 D CB -0.453 39.921 40.800 -0.709 0.000 0.921 266 D HN 0.582 nan 8.370 nan 0.000 0.510 267 D N 0.146 120.494 120.400 -0.085 0.000 2.463 267 D HA 0.312 4.952 4.640 -0.000 0.000 0.224 267 D C 0.329 176.640 176.300 0.017 0.000 1.174 267 D CA -0.641 53.342 54.000 -0.028 0.000 0.829 267 D CB -0.157 40.630 40.800 -0.021 0.000 0.993 267 D HN 0.238 nan 8.370 nan 0.000 0.497 268 A N 0.273 123.108 122.820 0.026 0.000 2.304 268 A HA 0.314 4.634 4.320 -0.000 0.000 0.271 268 A C 0.095 177.715 177.584 0.060 0.000 1.091 268 A CA -0.551 51.529 52.037 0.071 0.000 0.812 268 A CB 0.466 19.505 19.000 0.064 0.000 1.056 268 A HN 0.112 nan 8.150 nan 0.000 0.489 269 D N 1.778 122.228 120.400 0.084 0.000 2.344 269 D HA 0.190 4.830 4.640 -0.000 0.000 0.253 269 D C 0.925 177.228 176.300 0.004 0.000 1.255 269 D CA 0.024 54.056 54.000 0.054 0.000 0.894 269 D CB 0.314 41.163 40.800 0.082 0.000 1.067 269 D HN 0.434 nan 8.370 nan 0.000 0.492 270 L N 2.831 124.076 121.223 0.036 0.000 2.156 270 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 270 L C 1.718 178.615 176.870 0.045 0.000 1.095 270 L CA 0.629 55.520 54.840 0.086 0.000 0.770 270 L CB -0.100 42.038 42.059 0.132 0.000 0.914 270 L HN 0.360 nan 8.230 nan 0.000 0.439 271 D N 0.400 120.807 120.400 0.011 0.000 2.144 271 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 271 D C 2.087 178.387 176.300 -0.001 0.000 0.978 271 D CA 1.118 55.116 54.000 -0.004 0.000 0.833 271 D CB 0.163 40.966 40.800 0.005 0.000 0.961 271 D HN 0.265 nan 8.370 nan 0.000 0.470 272 K N 0.819 121.215 120.400 -0.008 0.000 2.001 272 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 272 K C 2.183 178.695 176.600 -0.147 0.000 1.048 272 K CA 1.066 57.348 56.287 -0.007 0.000 0.932 272 K CB -0.038 32.501 32.500 0.063 0.000 0.715 272 K HN -0.035 nan 8.250 nan 0.000 0.437 273 A N 1.079 123.653 122.820 -0.409 0.000 1.908 273 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 273 A C 2.288 179.858 177.584 -0.024 0.000 1.181 273 A CA 2.023 53.751 52.037 -0.516 0.000 0.627 273 A CB -0.834 17.877 19.000 -0.481 0.000 0.818 273 A HN 0.416 nan 8.150 nan 0.000 0.445 274 A N -0.190 122.683 122.820 0.088 0.000 1.883 274 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 274 A C 2.053 179.691 177.584 0.090 0.000 1.186 274 A CA 2.004 54.064 52.037 0.037 0.000 0.624 274 A CB -0.571 18.357 19.000 -0.119 0.000 0.822 274 A HN 0.715 nan 8.150 nan 0.000 0.444 275 E N -0.475 119.749 120.200 0.041 0.000 2.072 275 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 275 E C 1.325 177.981 176.600 0.094 0.000 0.985 275 E CA 1.246 57.677 56.400 0.052 0.000 0.801 275 E CB -0.153 29.621 29.700 0.125 0.000 0.750 275 E HN 0.482 nan 8.360 nan 0.000 0.452 276 D N 0.249 120.704 120.400 0.092 0.000 2.117 276 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 276 D C 1.777 178.084 176.300 0.013 0.000 0.987 276 D CA 1.519 55.575 54.000 0.093 0.000 0.829 276 D CB -0.247 40.648 40.800 0.157 0.000 0.961 276 D HN 0.341 nan 8.370 nan 0.000 0.460 277 A N 0.261 123.075 122.820 -0.010 0.000 1.930 277 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 277 A C 2.116 179.772 177.584 0.119 0.000 1.176 277 A CA 0.604 52.607 52.037 -0.056 0.000 0.632 277 A CB -0.638 18.219 19.000 -0.238 0.000 0.819 277 A HN 0.215 nan 8.150 nan 0.000 0.445 278 L N -0.913 120.460 121.223 0.251 0.000 1.956 278 L HA -0.188 4.152 4.340 -0.000 0.000 0.216 278 L C 2.291 179.152 176.870 -0.016 0.000 1.073 278 L CA 2.339 57.259 54.840 0.133 0.000 0.762 278 L CB -0.756 41.068 42.059 -0.392 0.000 0.889 278 L HN 0.628 nan 8.230 nan 0.000 0.433 279 W N -0.912 120.492 121.300 0.173 0.000 2.467 279 W HA 0.115 4.775 4.660 -0.000 0.000 0.275 279 W C 2.365 178.883 176.519 -0.002 0.000 1.239 279 W CA 0.386 57.788 57.345 0.095 0.000 1.266 279 W CB -0.951 28.539 29.460 0.049 0.000 1.112 279 W HN 0.306 nan 8.180 nan 0.000 0.576 280 G N 1.176 110.031 108.800 0.091 0.000 2.476 280 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 280 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 280 G C 1.490 176.308 174.900 -0.138 0.000 1.164 280 G CA 1.630 46.657 45.100 -0.122 0.000 0.768 280 G HN 0.172 nan 8.290 nan 0.000 0.560 281 R N -0.275 120.116 120.500 -0.182 0.000 2.080 281 R HA 0.206 4.546 4.340 -0.000 0.000 0.222 281 R C 1.954 177.968 176.300 -0.476 0.000 1.107 281 R CA 1.019 56.851 56.100 -0.445 0.000 0.980 281 R CB -0.551 29.267 30.300 -0.802 0.000 0.879 281 R HN 0.381 nan 8.270 nan 0.000 0.439 282 F N 0.501 120.489 119.950 0.063 0.000 2.746 282 F HA 0.469 4.996 4.527 -0.000 0.000 0.297 282 F C 0.942 176.846 175.800 0.173 0.000 1.113 282 F CA -0.082 57.968 58.000 0.084 0.000 1.367 282 F CB -0.052 38.956 39.000 0.014 0.000 1.111 282 F HN 0.019 nan 8.300 nan 0.000 0.590 283 A N 0.688 123.719 122.820 0.352 0.000 2.498 283 A HA 0.097 4.417 4.320 -0.000 0.000 0.239 283 A C 1.067 178.737 177.584 0.142 0.000 1.068 283 A CA 0.101 52.304 52.037 0.277 0.000 0.766 283 A CB -0.365 18.773 19.000 0.230 0.000 1.003 283 A HN 0.510 nan 8.150 nan 0.000 0.497 284 N N -1.014 117.755 118.700 0.114 0.000 2.708 284 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 284 N C 0.333 175.832 175.510 -0.018 0.000 1.097 284 N CA 1.408 54.466 53.050 0.013 0.000 0.710 284 N CB -1.946 36.516 38.487 -0.042 0.000 1.032 284 N HN 1.749 nan 8.380 nan 0.000 0.551 285 C N -1.771 117.569 119.300 0.067 0.000 4.365 285 C HA -0.062 4.398 4.460 -0.000 0.000 0.299 285 C C 1.685 176.672 174.990 -0.004 0.000 1.409 285 C CA 1.481 60.549 59.018 0.082 0.000 2.007 285 C CB -2.079 25.690 27.740 0.049 0.000 1.264 285 C HN 1.734 nan 8.230 nan 0.000 0.777 286 G N -0.112 108.648 108.800 -0.067 0.000 2.184 286 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 286 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 286 G C 0.051 174.684 174.900 -0.446 0.000 0.975 286 G CA 0.764 45.738 45.100 -0.211 0.000 0.642 286 G HN 1.010 nan 8.290 nan 0.000 0.536 287 Q N 0.284 119.779 119.800 -0.509 0.000 3.207 287 Q HA 0.501 4.841 4.340 -0.000 0.000 0.335 287 Q C -0.331 175.138 176.000 -0.885 0.000 1.374 287 Q CA -0.100 55.034 55.803 -1.115 0.000 1.023 287 Q CB 0.978 29.423 28.738 -0.488 0.000 1.576 287 Q HN 0.378 nan 8.270 nan 0.000 0.515 288 V N -1.242 118.273 119.914 -0.665 0.000 2.888 288 V HA 0.110 4.230 4.120 -0.000 0.000 0.309 288 V C 0.548 176.681 176.094 0.065 0.000 1.114 288 V CA -0.932 61.326 62.300 -0.069 0.000 0.940 288 V CB 1.756 33.656 31.823 0.128 0.000 1.021 288 V HN 0.526 nan 8.190 nan 0.000 0.426 289 C N 1.463 120.941 119.300 0.297 0.000 2.456 289 C HA -0.056 4.404 4.460 -0.000 0.000 0.279 289 C C 2.409 177.491 174.990 0.152 0.000 1.427 289 C CA 1.352 60.530 59.018 0.267 0.000 1.778 289 C CB -1.152 26.713 27.740 0.209 0.000 1.842 289 C HN 1.051 nan 8.230 nan 0.000 0.531 290 T N -3.351 111.297 114.554 0.157 0.000 3.107 290 T HA 0.121 4.471 4.350 -0.000 0.000 0.249 290 T C 0.483 175.264 174.700 0.135 0.000 1.096 290 T CA -0.118 62.078 62.100 0.161 0.000 1.012 290 T CB -0.677 68.309 68.868 0.198 0.000 0.977 290 T HN 0.429 nan 8.240 nan 0.000 0.527 291 C N 2.435 121.763 119.300 0.046 0.000 2.634 291 C HA 0.246 4.706 4.460 -0.000 0.000 0.417 291 C C 1.122 176.102 174.990 -0.016 0.000 1.334 291 C CA -0.984 58.013 59.018 -0.035 0.000 1.829 291 C CB -0.361 27.310 27.740 -0.114 0.000 2.665 291 C HN 0.433 nan 8.230 nan 0.000 0.614 292 V N 5.420 125.276 119.914 -0.096 0.000 2.493 292 V HA 0.016 4.136 4.120 -0.000 0.000 0.292 292 V C 1.138 177.168 176.094 -0.108 0.000 1.016 292 V CA 1.001 63.253 62.300 -0.081 0.000 1.097 292 V CB 0.262 31.985 31.823 -0.168 0.000 0.947 292 V HN 0.893 nan 8.190 nan 0.000 0.479 293 E N 4.620 124.782 120.200 -0.063 0.000 2.490 293 E HA 0.155 4.505 4.350 -0.000 0.000 0.209 293 E C 0.401 176.943 176.600 -0.096 0.000 0.971 293 E CA 0.062 56.415 56.400 -0.079 0.000 0.988 293 E CB 0.753 30.426 29.700 -0.046 0.000 1.029 293 E HN 0.803 nan 8.360 nan 0.000 0.496 294 R N 0.179 120.608 120.500 -0.119 0.000 2.561 294 R HA 0.499 4.839 4.340 -0.000 0.000 0.266 294 R C -1.414 174.710 176.300 -0.293 0.000 1.091 294 R CA -0.841 55.120 56.100 -0.231 0.000 0.927 294 R CB 0.987 31.113 30.300 -0.291 0.000 1.240 294 R HN -0.138 nan 8.270 nan 0.000 0.449 295 L N 2.849 123.858 121.223 -0.358 0.000 2.325 295 L HA 0.477 4.817 4.340 -0.000 0.000 0.281 295 L C -1.571 175.066 176.870 -0.388 0.000 1.004 295 L CA -0.764 53.898 54.840 -0.297 0.000 0.823 295 L CB 1.142 43.062 42.059 -0.232 0.000 1.236 295 L HN 0.600 nan 8.230 nan 0.000 0.415 296 Y N 4.440 124.723 120.300 -0.027 0.000 2.341 296 Y HA 0.586 5.136 4.550 -0.000 0.000 0.340 296 Y C -0.050 175.803 175.900 -0.078 0.000 0.997 296 Y CA -0.716 57.386 58.100 0.004 0.000 1.149 296 Y CB 1.469 39.960 38.460 0.051 0.000 1.171 296 Y HN 0.267 nan 8.280 nan 0.000 0.494 297 V N 3.668 123.629 119.914 0.079 0.000 2.444 297 V HA 0.136 4.256 4.120 -0.000 0.000 0.294 297 V C 0.026 176.194 176.094 0.124 0.000 1.022 297 V CA -1.095 61.197 62.300 -0.012 0.000 0.850 297 V CB 0.987 32.748 31.823 -0.103 0.000 0.992 297 V HN 0.726 nan 8.190 nan 0.000 0.426 298 H N 3.471 122.549 119.070 0.014 0.000 3.001 298 H HA 0.080 4.636 4.556 -0.000 0.000 0.334 298 H C 1.276 176.651 175.328 0.079 0.000 1.034 298 H CA 0.711 56.777 56.048 0.029 0.000 1.420 298 H CB 1.682 31.448 29.762 0.006 0.000 1.405 298 H HN 0.829 nan 8.280 nan 0.000 0.593 299 A N 3.895 126.663 122.820 -0.085 0.000 1.978 299 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 299 A C 2.467 180.173 177.584 0.203 0.000 1.170 299 A CA 1.715 53.773 52.037 0.035 0.000 0.636 299 A CB -0.352 18.593 19.000 -0.091 0.000 0.810 299 A HN 0.701 nan 8.150 nan 0.000 0.448 300 S N -0.994 114.940 115.700 0.389 0.000 2.481 300 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 300 S C 1.496 176.214 174.600 0.197 0.000 0.996 300 S CA 1.324 59.685 58.200 0.269 0.000 0.942 300 S CB -0.097 63.241 63.200 0.229 0.000 0.768 300 S HN 0.899 nan 8.310 nan 0.000 0.520 301 V N -2.138 117.911 119.914 0.225 0.000 3.477 301 V HA 0.337 4.457 4.120 -0.000 0.000 0.297 301 V C 1.351 177.581 176.094 0.226 0.000 1.433 301 V CA -0.380 62.024 62.300 0.174 0.000 1.052 301 V CB -1.156 30.735 31.823 0.114 0.000 0.895 301 V HN 0.368 nan 8.190 nan 0.000 0.438 302 Y N 2.372 122.753 120.300 0.135 0.000 2.081 302 Y HA -0.226 4.324 4.550 -0.000 0.000 0.280 302 Y C 2.250 178.263 175.900 0.188 0.000 1.163 302 Y CA 2.565 60.757 58.100 0.153 0.000 1.135 302 Y CB -0.137 38.386 38.460 0.106 0.000 0.970 302 Y HN 0.288 nan 8.280 nan 0.000 0.498 303 D N -0.053 120.514 120.400 0.279 0.000 2.092 303 D HA -0.232 4.407 4.640 -0.000 0.000 0.193 303 D C 2.035 178.371 176.300 0.060 0.000 0.994 303 D CA 2.065 56.162 54.000 0.161 0.000 0.828 303 D CB -0.485 40.422 40.800 0.178 0.000 0.963 303 D HN 0.789 nan 8.370 nan 0.000 0.450 304 E N -0.014 120.237 120.200 0.085 0.000 2.152 304 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 304 E C 2.174 178.799 176.600 0.042 0.000 0.983 304 E CA 0.391 56.821 56.400 0.051 0.000 0.818 304 E CB -0.703 29.030 29.700 0.055 0.000 0.758 304 E HN 0.283 nan 8.360 nan 0.000 0.467 305 F N 1.615 121.531 119.950 -0.057 0.000 2.095 305 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 305 F C 2.173 177.922 175.800 -0.085 0.000 1.104 305 F CA 1.529 59.480 58.000 -0.083 0.000 1.232 305 F CB -0.019 38.913 39.000 -0.115 0.000 0.987 305 F HN -0.044 nan 8.300 nan 0.000 0.475 306 M N 0.563 120.084 119.600 -0.131 0.000 2.159 306 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 306 M C 2.522 178.718 176.300 -0.172 0.000 1.063 306 M CA 1.567 56.749 55.300 -0.197 0.000 1.110 306 M CB -1.998 30.435 32.600 -0.279 0.000 1.374 306 M HN 0.350 nan 8.290 nan 0.000 0.411 307 A N -0.043 122.701 122.820 -0.126 0.000 2.019 307 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 307 A C 2.281 179.781 177.584 -0.140 0.000 1.164 307 A CA 1.621 53.596 52.037 -0.103 0.000 0.644 307 A CB -0.414 18.552 19.000 -0.056 0.000 0.805 307 A HN 0.487 nan 8.150 nan 0.000 0.449 308 K N -1.913 118.372 120.400 -0.192 0.000 2.098 308 K HA 0.095 4.415 4.320 -0.000 0.000 0.203 308 K C 1.715 178.158 176.600 -0.261 0.000 1.051 308 K CA 1.139 57.299 56.287 -0.211 0.000 0.957 308 K CB -0.229 32.146 32.500 -0.208 0.000 0.738 308 K HN 0.433 nan 8.250 nan 0.000 0.447 309 F N 1.446 121.038 119.950 -0.596 0.000 2.128 309 F HA -0.067 4.460 4.527 -0.000 0.000 0.295 309 F C 1.831 177.424 175.800 -0.345 0.000 1.100 309 F CA 0.711 58.357 58.000 -0.591 0.000 1.260 309 F CB -0.301 38.118 39.000 -0.968 0.000 1.009 309 F HN -0.141 nan 8.300 nan 0.000 0.476 310 L N 1.261 122.242 121.223 -0.402 0.000 2.012 310 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 310 L C -0.784 175.853 176.870 -0.389 0.000 1.073 310 L CA 2.201 56.799 54.840 -0.404 0.000 0.748 310 L CB -1.879 40.064 42.059 -0.193 0.000 0.891 310 L HN 0.008 nan 8.230 nan 0.000 0.431 311 P HA -0.148 nan 4.420 nan 0.000 0.218 311 P C 2.032 179.152 177.300 -0.299 0.000 1.149 311 P CA 1.298 64.248 63.100 -0.250 0.000 0.817 311 P CB -0.004 31.586 31.700 -0.183 0.000 0.785 312 L N -1.435 119.562 121.223 -0.377 0.000 2.056 312 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 312 L C 2.308 178.873 176.870 -0.509 0.000 1.078 312 L CA 1.261 55.862 54.840 -0.399 0.000 0.749 312 L CB -1.113 40.706 42.059 -0.400 0.000 0.901 312 L HN -0.120 nan 8.230 nan 0.000 0.433 313 V N -0.132 119.375 119.914 -0.679 0.000 2.358 313 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 313 V C 2.462 178.252 176.094 -0.507 0.000 1.047 313 V CA 1.690 63.551 62.300 -0.732 0.000 1.035 313 V CB -0.486 30.843 31.823 -0.824 0.000 0.658 313 V HN 0.327 nan 8.190 nan 0.000 0.452 314 K N 0.644 120.812 120.400 -0.387 0.000 2.147 314 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 314 K C 1.914 178.379 176.600 -0.225 0.000 1.049 314 K CA 1.303 57.431 56.287 -0.266 0.000 0.936 314 K CB -0.616 31.757 32.500 -0.211 0.000 0.722 314 K HN 0.534 nan 8.250 nan 0.000 0.446 315 G N -0.374 108.285 108.800 -0.235 0.000 2.985 315 G HA2 0.059 4.018 3.960 -0.000 0.000 0.209 315 G HA3 0.059 4.018 3.960 -0.000 0.000 0.209 315 G C 0.027 174.835 174.900 -0.152 0.000 1.165 315 G CA -0.315 44.683 45.100 -0.170 0.000 0.776 315 G HN 0.080 nan 8.290 nan 0.000 0.541 316 L N 1.269 122.366 121.223 -0.210 0.000 2.477 316 L HA 0.162 4.502 4.340 -0.000 0.000 0.272 316 L C 0.543 177.360 176.870 -0.088 0.000 1.157 316 L CA -0.435 54.313 54.840 -0.153 0.000 0.889 316 L CB 0.757 42.665 42.059 -0.252 0.000 1.158 316 L HN -0.051 nan 8.230 nan 0.000 0.473 317 K N 4.257 124.640 120.400 -0.028 0.000 2.292 317 K HA 0.236 4.556 4.320 -0.000 0.000 0.290 317 K C -0.648 175.951 176.600 -0.002 0.000 1.083 317 K CA -0.307 55.965 56.287 -0.024 0.000 0.918 317 K CB 0.715 33.208 32.500 -0.012 0.000 1.089 317 K HN 0.333 nan 8.250 nan 0.000 0.473 318 V N 3.617 123.520 119.914 -0.019 0.000 2.465 318 V HA 0.933 5.053 4.120 -0.000 0.000 0.279 318 V C 0.118 176.174 176.094 -0.063 0.000 1.045 318 V CA 0.665 62.982 62.300 0.028 0.000 0.938 318 V CB 0.407 32.284 31.823 0.091 0.000 0.986 318 V HN 0.894 nan 8.190 nan 0.000 0.467 319 G N 3.939 112.725 108.800 -0.024 0.000 2.341 319 G HA2 0.244 4.204 3.960 -0.000 0.000 0.299 319 G HA3 0.244 4.204 3.960 -0.000 0.000 0.299 319 G C -1.252 173.581 174.900 -0.111 0.000 1.274 319 G CA -0.318 44.632 45.100 -0.249 0.000 0.853 319 G HN 0.964 nan 8.290 nan 0.000 0.493 320 D N 1.176 121.370 120.400 -0.344 0.000 2.570 320 D HA 0.144 4.784 4.640 -0.000 0.000 0.243 320 D C -0.480 175.753 176.300 -0.112 0.000 1.171 320 D CA -1.074 52.676 54.000 -0.417 0.000 0.879 320 D CB 1.301 41.740 40.800 -0.602 0.000 1.143 320 D HN 0.062 nan 8.370 nan 0.000 0.511 321 P HA -0.143 nan 4.420 nan 0.000 0.228 321 P C 1.152 178.453 177.300 0.001 0.000 1.151 321 P CA 0.663 63.767 63.100 0.006 0.000 0.770 321 P CB 0.156 31.859 31.700 0.004 0.000 0.786 322 M N -0.949 118.647 119.600 -0.007 0.000 2.541 322 M HA 0.089 4.569 4.480 -0.000 0.000 0.252 322 M C 0.504 176.814 176.300 0.017 0.000 1.125 322 M CA 0.415 55.727 55.300 0.020 0.000 1.091 322 M CB -0.918 31.712 32.600 0.051 0.000 1.420 322 M HN -0.100 nan 8.290 nan 0.000 0.486 323 D N 0.598 120.997 120.400 -0.001 0.000 2.280 323 D HA 0.394 5.034 4.640 -0.000 0.000 0.243 323 D C 0.836 177.137 176.300 0.002 0.000 1.129 323 D CA 0.003 54.004 54.000 0.003 0.000 0.848 323 D CB 1.566 42.361 40.800 -0.010 0.000 1.107 323 D HN 0.125 nan 8.370 nan 0.000 0.471 324 A N 4.021 126.844 122.820 0.005 0.000 2.131 324 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 324 A C 1.548 179.133 177.584 0.003 0.000 1.158 324 A CA 1.071 53.110 52.037 0.003 0.000 0.665 324 A CB -0.060 18.942 19.000 0.002 0.000 0.795 324 A HN 0.560 nan 8.150 nan 0.000 0.460 325 D N 0.210 120.612 120.400 0.002 0.000 2.269 325 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 325 D C 0.418 176.724 176.300 0.010 0.000 0.963 325 D CA 0.523 54.525 54.000 0.003 0.000 0.864 325 D CB -0.146 40.651 40.800 -0.004 0.000 0.936 325 D HN 0.290 nan 8.370 nan 0.000 0.505 326 S N 0.742 116.448 115.700 0.009 0.000 2.531 326 S HA 0.108 4.578 4.470 -0.000 0.000 0.279 326 S C 1.141 175.774 174.600 0.055 0.000 1.305 326 S CA -0.135 58.080 58.200 0.025 0.000 1.058 326 S CB 1.435 64.647 63.200 0.020 0.000 0.899 326 S HN 0.159 nan 8.310 nan 0.000 0.493 327 Q N 1.507 121.362 119.800 0.091 0.000 2.317 327 Q HA 0.362 4.702 4.340 -0.000 0.000 0.220 327 Q C -0.025 176.100 176.000 0.209 0.000 0.873 327 Q CA 0.355 56.257 55.803 0.165 0.000 0.936 327 Q CB 0.538 29.428 28.738 0.254 0.000 1.105 327 Q HN 0.635 nan 8.270 nan 0.000 0.520 328 M N -0.123 119.573 119.600 0.161 0.000 2.322 328 M HA 0.498 4.977 4.480 -0.000 0.000 0.285 328 M C -1.033 175.377 176.300 0.184 0.000 1.119 328 M CA -0.531 54.874 55.300 0.176 0.000 0.953 328 M CB 1.692 34.404 32.600 0.186 0.000 1.701 328 M HN 0.130 nan 8.290 nan 0.000 0.479 329 G N 2.989 111.876 108.800 0.146 0.000 2.641 329 G HA2 0.758 4.718 3.960 -0.000 0.000 0.239 329 G HA3 0.758 4.718 3.960 -0.000 0.000 0.239 329 G C -2.983 171.912 174.900 -0.008 0.000 1.402 329 G CA -0.938 44.245 45.100 0.139 0.000 1.046 329 G HN 0.448 nan 8.290 nan 0.000 0.565 330 P HA 0.245 nan 4.420 nan 0.000 0.277 330 P C -0.545 176.533 177.300 -0.370 0.000 1.240 330 P CA -0.503 62.088 63.100 -0.849 0.000 0.798 330 P CB 1.146 32.016 31.700 -1.384 0.000 0.979 331 K N 0.851 121.088 120.400 -0.270 0.000 2.380 331 K HA 0.027 4.347 4.320 -0.000 0.000 0.267 331 K C 1.350 177.793 176.600 -0.261 0.000 0.990 331 K CA -0.034 56.154 56.287 -0.164 0.000 0.946 331 K CB -0.010 32.438 32.500 -0.087 0.000 0.937 331 K HN 0.533 nan 8.250 nan 0.000 0.491 332 C N 1.929 121.059 119.300 -0.283 0.000 2.448 332 C HA -0.089 4.371 4.460 -0.000 0.000 0.280 332 C C 0.593 175.327 174.990 -0.426 0.000 1.398 332 C CA 0.681 59.434 59.018 -0.442 0.000 1.774 332 C CB -1.208 25.990 27.740 -0.903 0.000 1.888 332 C HN 0.950 nan 8.230 nan 0.000 0.519 333 N N -3.157 115.333 118.700 -0.351 0.000 3.116 333 N HA 0.138 4.878 4.740 -0.000 0.000 0.244 333 N C -0.165 175.250 175.510 -0.159 0.000 1.485 333 N CA -0.585 52.310 53.050 -0.258 0.000 0.884 333 N CB 0.224 38.533 38.487 -0.296 0.000 1.415 333 N HN -0.220 nan 8.380 nan 0.000 0.524 334 Q N -0.010 119.727 119.800 -0.105 0.000 2.167 334 Q HA 0.089 4.429 4.340 -0.000 0.000 0.202 334 Q C 1.228 177.208 176.000 -0.033 0.000 0.970 334 Q CA 1.224 57.000 55.803 -0.045 0.000 0.855 334 Q CB -0.137 28.590 28.738 -0.019 0.000 0.911 334 Q HN 0.570 nan 8.270 nan 0.000 0.438 335 R N 0.340 120.807 120.500 -0.055 0.000 2.081 335 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 335 R C 2.004 178.290 176.300 -0.023 0.000 1.131 335 R CA 0.893 56.971 56.100 -0.036 0.000 0.960 335 R CB -0.015 30.257 30.300 -0.047 0.000 0.856 335 R HN 0.232 nan 8.270 nan 0.000 0.436 336 E N 0.762 120.936 120.200 -0.044 0.000 2.051 336 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 336 E C 2.097 178.683 176.600 -0.025 0.000 0.991 336 E CA 0.890 57.286 56.400 -0.007 0.000 0.799 336 E CB -0.151 29.537 29.700 -0.020 0.000 0.748 336 E HN 0.267 nan 8.360 nan 0.000 0.449 337 I N 1.908 122.458 120.570 -0.032 0.000 2.208 337 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 337 I C 1.746 177.873 176.117 0.016 0.000 1.097 337 I CA 1.374 62.667 61.300 -0.010 0.000 1.363 337 I CB -0.845 37.192 38.000 0.062 0.000 1.051 337 I HN 0.052 nan 8.210 nan 0.000 0.413 338 D N 0.394 120.817 120.400 0.040 0.000 2.117 338 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 338 D C 1.895 178.246 176.300 0.086 0.000 0.982 338 D CA 1.080 55.128 54.000 0.079 0.000 0.828 338 D CB -0.427 40.411 40.800 0.062 0.000 0.967 338 D HN 0.285 nan 8.370 nan 0.000 0.464 339 N N 1.336 120.059 118.700 0.038 0.000 2.084 339 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 339 N C 2.063 177.600 175.510 0.045 0.000 1.030 339 N CA 1.171 54.245 53.050 0.040 0.000 0.849 339 N CB -0.260 38.241 38.487 0.023 0.000 1.012 339 N HN 0.350 nan 8.380 nan 0.000 0.423 340 I N -2.268 118.274 120.570 -0.047 0.000 2.252 340 I HA -0.073 4.097 4.170 -0.000 0.000 0.245 340 I C 1.758 177.788 176.117 -0.145 0.000 1.102 340 I CA 1.636 62.847 61.300 -0.148 0.000 1.385 340 I CB -0.636 37.166 38.000 -0.329 0.000 1.064 340 I HN -0.077 nan 8.210 nan 0.000 0.414 341 D N 0.772 121.114 120.400 -0.097 0.000 2.149 341 D HA -0.270 4.370 4.640 -0.000 0.000 0.198 341 D C 2.253 178.622 176.300 0.115 0.000 0.990 341 D CA 1.330 55.368 54.000 0.062 0.000 0.839 341 D CB -0.293 40.647 40.800 0.234 0.000 0.948 341 D HN 0.455 nan 8.370 nan 0.000 0.460 342 H N -0.069 119.053 119.070 0.086 0.000 2.326 342 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 342 H C 2.282 177.662 175.328 0.085 0.000 1.081 342 H CA 1.226 57.344 56.048 0.117 0.000 1.334 342 H CB -0.144 29.666 29.762 0.080 0.000 1.385 342 H HN 0.215 nan 8.280 nan 0.000 0.504 343 I N -0.015 120.664 120.570 0.181 0.000 2.179 343 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 343 I C 2.768 178.909 176.117 0.040 0.000 1.088 343 I CA 0.799 62.166 61.300 0.112 0.000 1.357 343 I CB -0.307 37.744 38.000 0.085 0.000 1.051 343 I HN 0.031 nan 8.210 nan 0.000 0.409 344 V N 0.577 120.482 119.914 -0.014 0.000 2.252 344 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 344 V C 2.362 178.408 176.094 -0.079 0.000 1.056 344 V CA 2.395 64.655 62.300 -0.067 0.000 1.022 344 V CB -1.022 30.727 31.823 -0.122 0.000 0.641 344 V HN 0.458 nan 8.190 nan 0.000 0.445 345 H N -0.868 118.211 119.070 0.015 0.000 2.387 345 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 345 H C 2.380 177.679 175.328 -0.048 0.000 1.090 345 H CA 1.517 57.550 56.048 -0.026 0.000 1.332 345 H CB 0.116 29.838 29.762 -0.066 0.000 1.386 345 H HN 0.368 nan 8.280 nan 0.000 0.516 346 E N 0.858 121.081 120.200 0.038 0.000 2.072 346 E HA -0.101 4.248 4.350 -0.000 0.000 0.191 346 E C 2.287 178.912 176.600 0.042 0.000 0.985 346 E CA 1.018 57.430 56.400 0.020 0.000 0.801 346 E CB -0.253 29.462 29.700 0.024 0.000 0.750 346 E HN 0.438 nan 8.360 nan 0.000 0.452 347 A N 0.610 123.457 122.820 0.046 0.000 1.883 347 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 347 A C 2.341 179.953 177.584 0.045 0.000 1.186 347 A CA 1.731 53.795 52.037 0.045 0.000 0.624 347 A CB -0.845 18.181 19.000 0.043 0.000 0.822 347 A HN 0.344 nan 8.150 nan 0.000 0.444 348 I N -0.503 120.098 120.570 0.052 0.000 2.163 348 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 348 I C 2.493 178.640 176.117 0.051 0.000 1.085 348 I CA 1.959 63.295 61.300 0.060 0.000 1.347 348 I CB -0.359 37.694 38.000 0.088 0.000 1.044 348 I HN 0.280 nan 8.210 nan 0.000 0.408 349 K N 0.453 120.882 120.400 0.049 0.000 2.074 349 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 349 K C 2.057 178.673 176.600 0.028 0.000 1.048 349 K CA 1.614 57.920 56.287 0.033 0.000 0.926 349 K CB -0.218 32.296 32.500 0.023 0.000 0.713 349 K HN 0.413 nan 8.250 nan 0.000 0.444 350 Q N -1.204 118.614 119.800 0.030 0.000 2.472 350 Q HA 0.007 4.347 4.340 -0.000 0.000 0.208 350 Q C 0.797 176.813 176.000 0.026 0.000 0.958 350 Q CA 0.736 56.554 55.803 0.026 0.000 0.932 350 Q CB 0.675 29.430 28.738 0.028 0.000 1.007 350 Q HN 0.596 nan 8.270 nan 0.000 0.508 351 G N -0.526 108.292 108.800 0.030 0.000 2.273 351 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.162 351 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.162 351 G C 0.076 174.997 174.900 0.035 0.000 1.006 351 G CA -0.286 44.832 45.100 0.029 0.000 0.704 351 G HN 0.416 nan 8.290 nan 0.000 0.487 352 A N 0.259 123.103 122.820 0.040 0.000 2.386 352 A HA 0.720 5.039 4.320 -0.000 0.000 0.248 352 A C 0.475 178.089 177.584 0.049 0.000 1.082 352 A CA 1.058 53.122 52.037 0.046 0.000 0.789 352 A CB 0.483 19.511 19.000 0.048 0.000 1.025 352 A HN 0.682 nan 8.150 nan 0.000 0.490 353 T N 1.290 115.877 114.554 0.055 0.000 2.807 353 T HA 0.431 4.781 4.350 -0.000 0.000 0.279 353 T C -0.350 174.386 174.700 0.060 0.000 0.993 353 T CA -0.380 61.753 62.100 0.055 0.000 0.970 353 T CB 1.303 70.205 68.868 0.057 0.000 0.950 353 T HN 0.414 nan 8.240 nan 0.000 0.441 354 V N 3.585 123.529 119.914 0.051 0.000 2.415 354 V HA 0.263 4.383 4.120 -0.000 0.000 0.267 354 V C 1.364 177.483 176.094 0.043 0.000 1.042 354 V CA -0.019 62.310 62.300 0.048 0.000 1.000 354 V CB 0.194 32.039 31.823 0.037 0.000 1.015 354 V HN 1.156 nan 8.190 nan 0.000 0.478 355 A N 4.320 127.171 122.820 0.052 0.000 1.930 355 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 355 A C 1.196 178.781 177.584 0.002 0.000 1.176 355 A CA 1.529 53.589 52.037 0.037 0.000 0.632 355 A CB 0.145 19.180 19.000 0.059 0.000 0.819 355 A HN 0.710 nan 8.150 nan 0.000 0.445 356 T N -4.064 110.490 114.554 -0.000 0.000 2.802 356 T HA 0.531 4.881 4.350 -0.000 0.000 0.311 356 T C 0.353 175.043 174.700 -0.018 0.000 1.405 356 T CA 0.596 62.675 62.100 -0.035 0.000 1.016 356 T CB 0.840 69.654 68.868 -0.091 0.000 1.352 356 T HN 1.984 nan 8.240 nan 0.000 0.498 357 G N 1.671 110.443 108.800 -0.047 0.000 2.550 357 G HA2 0.230 4.190 3.960 -0.000 0.000 0.277 357 G HA3 0.230 4.190 3.960 -0.000 0.000 0.277 357 G C 1.080 175.954 174.900 -0.043 0.000 1.190 357 G CA 1.207 46.276 45.100 -0.051 0.000 0.971 357 G HN 2.492 nan 8.290 nan 0.000 0.559 358 G N -1.078 107.718 108.800 -0.006 0.000 2.132 358 G HA2 0.219 4.179 3.960 -0.000 0.000 0.228 358 G HA3 0.219 4.179 3.960 -0.000 0.000 0.228 358 G C 0.123 174.976 174.900 -0.078 0.000 1.000 358 G CA 1.867 46.981 45.100 0.023 0.000 0.693 358 G HN 2.162 nan 8.290 nan 0.000 0.515 359 K N -1.702 118.486 120.400 -0.352 0.000 2.617 359 K HA 0.669 4.989 4.320 -0.000 0.000 0.293 359 K C -0.214 175.798 176.600 -0.979 0.000 1.034 359 K CA -0.272 55.754 56.287 -0.434 0.000 0.884 359 K CB 0.560 32.962 32.500 -0.162 0.000 1.541 359 K HN 0.513 nan 8.250 nan 0.000 0.409 360 T N -0.477 113.756 114.554 -0.536 0.000 2.795 360 T HA 0.410 4.760 4.350 -0.000 0.000 0.314 360 T C -0.241 174.345 174.700 -0.189 0.000 1.069 360 T CA 0.227 62.149 62.100 -0.298 0.000 1.071 360 T CB 0.262 69.154 68.868 0.040 0.000 0.988 360 T HN 0.679 nan 8.240 nan 0.000 0.543 361 A N 2.293 125.096 122.820 -0.029 0.000 2.355 361 A HA 0.612 4.932 4.320 -0.000 0.000 0.317 361 A C 0.238 177.814 177.584 -0.014 0.000 1.094 361 A CA -0.637 51.386 52.037 -0.024 0.000 0.764 361 A CB 1.468 20.476 19.000 0.014 0.000 1.230 361 A HN 0.946 nan 8.150 nan 0.000 0.448 362 T N 1.441 115.948 114.554 -0.078 0.000 2.727 362 T HA 0.495 4.845 4.350 -0.000 0.000 0.298 362 T C -0.833 173.740 174.700 -0.212 0.000 0.942 362 T CA -0.216 61.819 62.100 -0.108 0.000 0.997 362 T CB -0.371 68.456 68.868 -0.067 0.000 0.917 362 T HN 0.594 nan 8.240 nan 0.000 0.487 363 V N 6.036 125.737 119.914 -0.355 0.000 2.304 363 V HA 0.319 4.439 4.120 -0.000 0.000 0.278 363 V C -0.256 175.698 176.094 -0.233 0.000 1.018 363 V CA -1.030 60.977 62.300 -0.487 0.000 0.814 363 V CB 0.886 31.966 31.823 -1.238 0.000 1.021 363 V HN 0.926 nan 8.190 nan 0.000 0.440 364 E N 3.018 123.146 120.200 -0.120 0.000 2.415 364 E HA 0.455 4.805 4.350 -0.000 0.000 0.263 364 E C 1.283 177.882 176.600 -0.002 0.000 0.995 364 E CA 0.798 57.166 56.400 -0.053 0.000 0.915 364 E CB 0.288 29.957 29.700 -0.051 0.000 0.951 364 E HN 0.925 nan 8.360 nan 0.000 0.449 365 G N 1.784 110.530 108.800 -0.090 0.000 2.175 365 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 365 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 365 G C 0.219 174.730 174.900 -0.649 0.000 0.982 365 G CA -0.079 44.838 45.100 -0.306 0.000 0.641 365 G HN 0.432 nan 8.290 nan 0.000 0.527 366 F N 0.238 120.171 119.950 -0.028 0.000 2.697 366 F HA 0.358 4.885 4.527 -0.000 0.000 0.367 366 F C 1.187 177.068 175.800 0.136 0.000 1.300 366 F CA -0.147 57.900 58.000 0.078 0.000 1.121 366 F CB 0.535 39.583 39.000 0.080 0.000 1.188 366 F HN 0.073 nan 8.300 nan 0.000 0.511 367 E N 0.194 120.486 120.200 0.154 0.000 2.268 367 E HA -0.049 4.300 4.350 -0.000 0.000 0.195 367 E C 2.425 179.153 176.600 0.213 0.000 0.995 367 E CA 1.074 57.562 56.400 0.146 0.000 0.836 367 E CB -0.202 29.532 29.700 0.057 0.000 0.763 367 E HN 0.447 nan 8.360 nan 0.000 0.491 368 G N 0.622 109.541 108.800 0.198 0.000 2.598 368 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.215 368 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.215 368 G C 0.843 175.861 174.900 0.196 0.000 1.131 368 G CA 0.447 45.645 45.100 0.163 0.000 0.785 368 G HN 0.344 nan 8.290 nan 0.000 0.539 369 G N -1.140 107.871 108.800 0.351 0.000 2.535 369 G HA2 0.367 4.327 3.960 -0.000 0.000 0.282 369 G HA3 0.367 4.327 3.960 -0.000 0.000 0.282 369 G C -0.630 174.275 174.900 0.009 0.000 1.350 369 G CA -0.291 44.919 45.100 0.185 0.000 1.039 369 G HN 0.206 nan 8.290 nan 0.000 0.509 370 C N 0.029 119.067 119.300 -0.436 0.000 2.258 370 C HA 0.521 4.981 4.460 -0.000 0.000 0.321 370 C C -0.999 173.718 174.990 -0.454 0.000 1.168 370 C CA -0.836 58.008 59.018 -0.289 0.000 1.531 370 C CB -1.575 26.027 27.740 -0.231 0.000 2.095 370 C HN 0.531 nan 8.230 nan 0.000 0.449 371 W N 1.647 123.001 121.300 0.089 0.000 2.702 371 W HA 0.609 5.269 4.660 -0.000 0.000 0.331 371 W C -0.408 176.204 176.519 0.156 0.000 1.049 371 W CA -0.633 56.769 57.345 0.094 0.000 1.230 371 W CB 0.940 30.430 29.460 0.049 0.000 1.408 371 W HN 0.535 nan 8.180 nan 0.000 0.492 372 Y N 1.238 121.678 120.300 0.234 0.000 2.536 372 Y HA 0.352 4.902 4.550 -0.000 0.000 0.347 372 Y C 0.179 176.162 175.900 0.138 0.000 1.000 372 Y CA -1.184 57.009 58.100 0.154 0.000 1.051 372 Y CB 1.777 40.301 38.460 0.106 0.000 1.259 372 Y HN 0.362 nan 8.280 nan 0.000 0.468 373 E N 5.186 125.307 120.200 -0.132 0.000 2.338 373 E HA 0.196 4.546 4.350 -0.000 0.000 0.272 373 E C -2.503 174.173 176.600 0.126 0.000 1.029 373 E CA -1.904 54.470 56.400 -0.043 0.000 0.872 373 E CB 0.561 30.161 29.700 -0.167 0.000 1.015 373 E HN 0.291 nan 8.360 nan 0.000 0.417 374 P HA -0.072 nan 4.420 nan 0.000 0.258 374 P C -1.088 176.246 177.300 0.055 0.000 1.172 374 P CA 0.656 63.737 63.100 -0.031 0.000 0.762 374 P CB 0.415 31.793 31.700 -0.536 0.000 0.764 375 T N 3.066 117.803 114.554 0.305 0.000 2.824 375 T HA 0.461 4.811 4.350 -0.000 0.000 0.282 375 T C -0.425 174.435 174.700 0.267 0.000 0.993 375 T CA -0.450 61.789 62.100 0.233 0.000 0.967 375 T CB 1.082 70.118 68.868 0.281 0.000 0.960 375 T HN -0.057 nan 8.240 nan 0.000 0.441 376 V N 4.722 124.737 119.914 0.168 0.000 2.540 376 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 376 V C -0.544 175.630 176.094 0.133 0.000 1.035 376 V CA -0.862 61.550 62.300 0.186 0.000 0.873 376 V CB 1.616 33.546 31.823 0.177 0.000 0.992 376 V HN 0.716 nan 8.190 nan 0.000 0.428 377 L N 5.734 127.035 121.223 0.130 0.000 2.334 377 L HA 0.900 5.240 4.340 -0.000 0.000 0.276 377 L C -0.207 176.735 176.870 0.120 0.000 1.014 377 L CA -0.838 54.064 54.840 0.103 0.000 0.815 377 L CB 1.850 43.956 42.059 0.078 0.000 1.268 377 L HN 0.587 nan 8.230 nan 0.000 0.428 378 V N -2.464 117.520 119.914 0.118 0.000 3.156 378 V HA 0.554 4.674 4.120 -0.000 0.000 0.311 378 V C -0.733 175.421 176.094 0.100 0.000 1.208 378 V CA -0.956 61.433 62.300 0.148 0.000 1.063 378 V CB 1.850 33.795 31.823 0.203 0.000 1.098 378 V HN 0.825 nan 8.190 nan 0.000 0.452 379 D N -0.280 120.171 120.400 0.086 0.000 2.697 379 D HA -0.133 4.506 4.640 -0.000 0.000 0.235 379 D C -0.229 176.095 176.300 0.041 0.000 1.167 379 D CA 0.867 54.892 54.000 0.043 0.000 0.656 379 D CB -1.104 39.718 40.800 0.038 0.000 1.025 379 D HN 0.632 nan 8.370 nan 0.000 0.419 380 V N 0.493 120.434 119.914 0.045 0.000 2.370 380 V HA 0.205 4.325 4.120 -0.000 0.000 0.283 380 V C 0.867 176.976 176.094 0.026 0.000 1.023 380 V CA -0.658 61.663 62.300 0.035 0.000 0.857 380 V CB 2.029 33.872 31.823 0.033 0.000 0.985 380 V HN -0.014 nan 8.190 nan 0.000 0.443 381 K N 2.195 122.606 120.400 0.018 0.000 2.090 381 K HA 0.255 4.575 4.320 -0.000 0.000 0.250 381 K C 0.944 177.525 176.600 -0.033 0.000 1.004 381 K CA -0.551 55.737 56.287 0.002 0.000 0.919 381 K CB 0.849 33.350 32.500 0.001 0.000 1.045 381 K HN 0.579 nan 8.250 nan 0.000 0.471 382 Q N 1.497 121.216 119.800 -0.136 0.000 2.226 382 Q HA -0.183 4.156 4.340 -0.000 0.000 0.204 382 Q C 0.957 176.950 176.000 -0.011 0.000 0.975 382 Q CA 2.047 57.687 55.803 -0.271 0.000 0.866 382 Q CB -0.028 28.134 28.738 -0.960 0.000 0.915 382 Q HN 0.672 nan 8.270 nan 0.000 0.440 383 D N -1.159 119.241 120.400 0.000 0.000 2.340 383 D HA -0.069 4.571 4.640 -0.000 0.000 0.220 383 D C 0.018 176.345 176.300 0.045 0.000 1.039 383 D CA -0.121 53.899 54.000 0.032 0.000 0.866 383 D CB -0.590 40.186 40.800 -0.040 0.000 0.913 383 D HN 0.148 nan 8.370 nan 0.000 0.523 384 N N 1.442 120.189 118.700 0.078 0.000 2.441 384 N HA -0.084 4.656 4.740 -0.000 0.000 0.251 384 N C 1.233 176.832 175.510 0.149 0.000 1.242 384 N CA -0.284 52.813 53.050 0.078 0.000 0.898 384 N CB 1.003 39.523 38.487 0.054 0.000 1.100 384 N HN 0.021 nan 8.380 nan 0.000 0.443 385 I N 3.497 124.128 120.570 0.102 0.000 2.361 385 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 385 I C 1.805 178.007 176.117 0.141 0.000 1.133 385 I CA 1.074 62.445 61.300 0.118 0.000 1.413 385 I CB -0.068 37.981 38.000 0.083 0.000 1.073 385 I HN 0.389 nan 8.210 nan 0.000 0.424 386 V N 0.664 120.638 119.914 0.099 0.000 2.759 386 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 386 V C 2.231 178.350 176.094 0.043 0.000 1.080 386 V CA 1.274 63.614 62.300 0.067 0.000 1.101 386 V CB 0.011 31.860 31.823 0.043 0.000 0.698 386 V HN 0.329 nan 8.190 nan 0.000 0.477 387 V N -0.217 119.725 119.914 0.047 0.000 3.129 387 V HA -0.043 4.077 4.120 -0.000 0.000 0.259 387 V C 1.980 177.942 176.094 -0.219 0.000 1.116 387 V CA 1.660 63.908 62.300 -0.085 0.000 1.127 387 V CB -0.767 30.991 31.823 -0.108 0.000 0.742 387 V HN 0.692 nan 8.190 nan 0.000 0.474 388 H N -0.671 118.437 119.070 0.063 0.000 2.521 388 H HA 0.261 4.817 4.556 -0.000 0.000 0.267 388 H C 0.931 176.348 175.328 0.149 0.000 0.963 388 H CA -0.038 56.070 56.048 0.100 0.000 1.175 388 H CB 1.068 30.868 29.762 0.063 0.000 1.450 388 H HN 0.422 nan 8.280 nan 0.000 0.472 389 E N 2.455 122.797 120.200 0.236 0.000 2.289 389 E HA 0.046 4.396 4.350 -0.000 0.000 0.278 389 E C -0.281 176.403 176.600 0.140 0.000 1.032 389 E CA -0.214 56.303 56.400 0.196 0.000 0.854 389 E CB 1.088 30.875 29.700 0.145 0.000 1.046 389 E HN 0.205 nan 8.360 nan 0.000 0.409 390 E N 2.640 122.917 120.200 0.128 0.000 2.417 390 E HA -0.047 4.303 4.350 -0.000 0.000 0.261 390 E C 0.527 177.163 176.600 0.060 0.000 1.000 390 E CA 0.386 56.800 56.400 0.023 0.000 0.919 390 E CB 0.733 30.364 29.700 -0.115 0.000 0.955 390 E HN 0.739 nan 8.360 nan 0.000 0.455 391 T N 2.056 116.645 114.554 0.059 0.000 3.039 391 T HA -0.025 4.325 4.350 -0.000 0.000 0.250 391 T C 1.003 175.798 174.700 0.159 0.000 1.052 391 T CA 0.029 62.171 62.100 0.069 0.000 1.125 391 T CB -0.253 68.623 68.868 0.014 0.000 0.908 391 T HN 0.675 nan 8.240 nan 0.000 0.473 392 F N 1.789 121.712 119.950 -0.045 0.000 3.079 392 F HA -0.107 4.420 4.527 -0.000 0.000 0.274 392 F C 0.508 176.318 175.800 0.016 0.000 0.940 392 F CA 0.501 58.488 58.000 -0.022 0.000 0.932 392 F CB -1.028 37.974 39.000 0.003 0.000 0.891 392 F HN 0.754 nan 8.300 nan 0.000 0.722 393 G N -0.296 108.476 108.800 -0.046 0.000 2.488 393 G HA2 0.482 4.442 3.960 -0.000 0.000 0.301 393 G HA3 0.482 4.442 3.960 -0.000 0.000 0.301 393 G C -3.190 171.675 174.900 -0.059 0.000 1.339 393 G CA -0.465 44.605 45.100 -0.050 0.000 0.803 393 G HN -0.195 nan 8.290 nan 0.000 0.482 394 P HA 0.360 nan 4.420 nan 0.000 0.225 394 P C -0.806 176.631 177.300 0.228 0.000 1.768 394 P CA 0.041 63.251 63.100 0.185 0.000 0.943 394 P CB -0.313 31.659 31.700 0.453 0.000 1.936 395 I N 1.816 122.397 120.570 0.018 0.000 2.468 395 I HA 0.294 4.464 4.170 -0.000 0.000 0.285 395 I C -0.592 175.517 176.117 -0.014 0.000 1.039 395 I CA -0.692 60.643 61.300 0.058 0.000 1.074 395 I CB 2.404 40.411 38.000 0.013 0.000 1.228 395 I HN -0.100 nan 8.210 nan 0.000 0.436 396 L N 10.197 131.455 121.223 0.059 0.000 2.427 396 L HA 0.684 5.024 4.340 -0.000 0.000 0.264 396 L C -2.563 174.349 176.870 0.071 0.000 0.989 396 L CA -1.565 53.293 54.840 0.030 0.000 0.865 396 L CB 1.548 43.638 42.059 0.052 0.000 1.209 396 L HN 0.245 nan 8.230 nan 0.000 0.430 397 P HA 0.293 nan 4.420 nan 0.000 0.275 397 P C -0.870 176.417 177.300 -0.023 0.000 1.228 397 P CA -0.055 63.050 63.100 0.007 0.000 0.786 397 P CB 1.422 33.101 31.700 -0.034 0.000 0.927 398 I N 2.128 122.718 120.570 0.034 0.000 2.447 398 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 398 I C -0.368 175.792 176.117 0.071 0.000 1.023 398 I CA -1.080 60.250 61.300 0.050 0.000 1.083 398 I CB 2.271 40.383 38.000 0.186 0.000 1.245 398 I HN -0.015 nan 8.210 nan 0.000 0.434 399 V N 6.340 126.251 119.914 -0.004 0.000 2.495 399 V HA 0.340 4.459 4.120 -0.000 0.000 0.298 399 V C 0.156 176.374 176.094 0.206 0.000 1.031 399 V CA -0.957 61.401 62.300 0.097 0.000 0.871 399 V CB 2.003 33.893 31.823 0.112 0.000 0.988 399 V HN 0.632 nan 8.190 nan 0.000 0.432 400 K N 2.775 123.258 120.400 0.138 0.000 2.326 400 K HA 0.560 4.880 4.320 -0.000 0.000 0.275 400 K C -0.340 176.344 176.600 0.140 0.000 1.018 400 K CA -0.211 56.122 56.287 0.077 0.000 0.962 400 K CB 1.521 33.950 32.500 -0.117 0.000 0.953 400 K HN 0.637 nan 8.250 nan 0.000 0.475 401 V N -1.385 118.545 119.914 0.027 0.000 3.046 401 V HA 0.405 4.525 4.120 -0.000 0.000 0.316 401 V C 0.487 176.378 176.094 -0.338 0.000 1.104 401 V CA -0.618 61.597 62.300 -0.142 0.000 1.006 401 V CB 1.875 33.590 31.823 -0.180 0.000 1.058 401 V HN 0.845 nan 8.190 nan 0.000 0.440 402 S N -0.329 115.143 115.700 -0.379 0.000 2.540 402 S HA 0.462 4.932 4.470 -0.000 0.000 0.222 402 S C 0.564 174.941 174.600 -0.371 0.000 1.008 402 S CA 0.382 58.320 58.200 -0.438 0.000 0.939 402 S CB -0.343 62.716 63.200 -0.235 0.000 0.865 402 S HN 2.026 nan 8.310 nan 0.000 0.499 403 S N -0.420 115.132 115.700 -0.247 0.000 2.615 403 S HA 0.504 4.974 4.470 -0.000 0.000 0.268 403 S C 0.281 174.844 174.600 -0.062 0.000 1.146 403 S CA -0.514 57.659 58.200 -0.044 0.000 0.818 403 S CB 0.726 63.889 63.200 -0.061 0.000 1.111 403 S HN -0.021 nan 8.310 nan 0.000 0.465 404 M N 1.526 121.117 119.600 -0.015 0.000 2.117 404 M HA 0.067 4.547 4.480 -0.000 0.000 0.262 404 M C 1.926 178.161 176.300 -0.110 0.000 1.065 404 M CA 2.318 57.587 55.300 -0.051 0.000 1.114 404 M CB -0.935 31.645 32.600 -0.032 0.000 1.361 404 M HN 0.917 nan 8.290 nan 0.000 0.408 405 E N -0.787 119.349 120.200 -0.107 0.000 2.085 405 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 405 E C 2.074 178.558 176.600 -0.193 0.000 0.994 405 E CA 1.621 57.948 56.400 -0.122 0.000 0.801 405 E CB -0.222 29.423 29.700 -0.092 0.000 0.743 405 E HN 0.728 nan 8.360 nan 0.000 0.453 406 Q N -0.210 119.423 119.800 -0.277 0.000 2.079 406 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 406 Q C 2.073 177.667 176.000 -0.676 0.000 0.974 406 Q CA 1.188 56.693 55.803 -0.497 0.000 0.840 406 Q CB -0.126 28.260 28.738 -0.587 0.000 0.898 406 Q HN 0.327 nan 8.270 nan 0.000 0.430 407 A N 1.447 123.972 122.820 -0.492 0.000 1.883 407 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 407 A C 1.988 179.361 177.584 -0.352 0.000 1.186 407 A CA 1.478 53.240 52.037 -0.457 0.000 0.624 407 A CB -0.744 18.112 19.000 -0.240 0.000 0.822 407 A HN 0.466 nan 8.150 nan 0.000 0.444 408 I N -0.192 120.247 120.570 -0.219 0.000 2.118 408 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 408 I C 2.531 178.589 176.117 -0.099 0.000 1.070 408 I CA 2.177 63.396 61.300 -0.135 0.000 1.327 408 I CB -1.485 36.457 38.000 -0.097 0.000 1.034 408 I HN 0.610 nan 8.210 nan 0.000 0.405 409 E N 0.847 120.989 120.200 -0.096 0.000 2.070 409 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 409 E C 2.333 179.015 176.600 0.136 0.000 1.004 409 E CA 1.639 58.046 56.400 0.011 0.000 0.805 409 E CB -0.098 29.607 29.700 0.009 0.000 0.744 409 E HN 0.279 nan 8.360 nan 0.000 0.451 410 F N 0.912 120.724 119.950 -0.230 0.000 2.102 410 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 410 F C 2.683 178.321 175.800 -0.271 0.000 1.105 410 F CA 0.738 58.550 58.000 -0.314 0.000 1.239 410 F CB -1.252 37.332 39.000 -0.693 0.000 0.991 410 F HN 0.262 nan 8.300 nan 0.000 0.474 411 C N 0.352 119.577 119.300 -0.124 0.000 2.413 411 C HA -0.195 4.265 4.460 -0.000 0.000 0.276 411 C C 2.437 177.447 174.990 0.034 0.000 1.236 411 C CA 1.065 60.080 59.018 -0.004 0.000 1.735 411 C CB -1.291 26.434 27.740 -0.025 0.000 2.031 411 C HN 0.435 nan 8.230 nan 0.000 0.474 412 N N 0.902 119.616 118.700 0.022 0.000 2.453 412 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 412 N C 0.437 175.987 175.510 0.068 0.000 1.041 412 N CA 0.973 54.049 53.050 0.043 0.000 0.900 412 N CB -0.554 37.954 38.487 0.036 0.000 0.961 412 N HN 0.565 nan 8.380 nan 0.000 0.443 413 D N 0.468 120.916 120.400 0.080 0.000 2.608 413 D HA 0.147 4.786 4.640 -0.000 0.000 0.224 413 D C -0.864 175.508 176.300 0.121 0.000 1.123 413 D CA 0.000 54.068 54.000 0.113 0.000 1.030 413 D CB -0.271 40.606 40.800 0.128 0.000 1.093 413 D HN -0.093 nan 8.370 nan 0.000 0.497 414 S N 1.256 117.024 115.700 0.113 0.000 2.547 414 S HA 0.292 4.762 4.470 -0.000 0.000 0.270 414 S C 0.704 175.336 174.600 0.053 0.000 1.150 414 S CA -0.837 57.434 58.200 0.119 0.000 0.850 414 S CB 0.541 63.819 63.200 0.130 0.000 1.118 414 S HN 0.266 nan 8.310 nan 0.000 0.461 415 I N 0.621 121.158 120.570 -0.055 0.000 3.419 415 I HA 0.390 4.559 4.170 -0.000 0.000 0.286 415 I C -0.195 175.732 176.117 -0.317 0.000 1.268 415 I CA 0.039 61.194 61.300 -0.241 0.000 1.414 415 I CB -0.293 37.475 38.000 -0.386 0.000 1.074 415 I HN 0.423 nan 8.210 nan 0.000 0.457 416 Y N 1.129 121.460 120.300 0.052 0.000 2.519 416 Y HA 0.736 5.286 4.550 -0.000 0.000 0.324 416 Y C 1.033 176.954 175.900 0.036 0.000 1.214 416 Y CA -0.810 57.314 58.100 0.041 0.000 1.260 416 Y CB 1.622 40.100 38.460 0.030 0.000 1.311 416 Y HN -0.099 nan 8.280 nan 0.000 0.505 417 G N 0.567 109.482 108.800 0.193 0.000 5.338 417 G HA2 0.189 4.149 3.960 -0.000 0.000 0.198 417 G HA3 0.189 4.149 3.960 -0.000 0.000 0.198 417 G C -0.284 174.571 174.900 -0.075 0.000 0.708 417 G CA -0.165 44.969 45.100 0.058 0.000 0.626 417 G HN 0.529 nan 8.290 nan 0.000 0.419 418 L N 0.151 121.338 121.223 -0.060 0.000 2.121 418 L HA 0.568 4.907 4.340 -0.000 0.000 0.200 418 L C 0.703 177.454 176.870 -0.199 0.000 1.077 418 L CA 1.429 56.181 54.840 -0.147 0.000 0.766 418 L CB 0.222 42.222 42.059 -0.100 0.000 0.931 418 L HN 0.097 nan 8.230 nan 0.000 0.452 419 S N -1.149 114.463 115.700 -0.147 0.000 2.546 419 S HA 0.852 5.322 4.470 -0.000 0.000 0.274 419 S C -1.091 173.356 174.600 -0.254 0.000 1.121 419 S CA -0.264 57.824 58.200 -0.188 0.000 0.887 419 S CB 1.903 65.019 63.200 -0.140 0.000 1.094 419 S HN 0.477 nan 8.310 nan 0.000 0.474 420 A N 1.794 124.405 122.820 -0.348 0.000 2.515 420 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 420 A C -2.124 175.222 177.584 -0.396 0.000 1.059 420 A CA -0.639 51.222 52.037 -0.293 0.000 0.698 420 A CB 0.986 19.911 19.000 -0.124 0.000 1.289 420 A HN 0.708 nan 8.150 nan 0.000 0.404 421 Y N 0.277 120.614 120.300 0.062 0.000 2.376 421 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 421 Y C -0.175 175.748 175.900 0.038 0.000 0.965 421 Y CA -0.909 57.226 58.100 0.058 0.000 1.078 421 Y CB 2.393 40.859 38.460 0.011 0.000 1.193 421 Y HN 0.375 nan 8.280 nan 0.000 0.452 422 V N 3.717 123.711 119.914 0.134 0.000 2.482 422 V HA 0.258 4.378 4.120 -0.000 0.000 0.295 422 V C -0.813 175.280 176.094 -0.001 0.000 1.026 422 V CA -0.803 61.539 62.300 0.071 0.000 0.856 422 V CB 1.235 33.072 31.823 0.023 0.000 1.001 422 V HN 0.741 nan 8.190 nan 0.000 0.424 423 H N 3.021 122.125 119.070 0.057 0.000 2.597 423 H HA 0.673 5.229 4.556 -0.000 0.000 0.303 423 H C -0.209 175.134 175.328 0.025 0.000 1.057 423 H CA 0.221 56.295 56.048 0.044 0.000 1.261 423 H CB 1.825 31.603 29.762 0.027 0.000 1.397 423 H HN 0.685 nan 8.280 nan 0.000 0.461 424 T N 2.617 117.240 114.554 0.114 0.000 2.977 424 T HA 0.073 4.423 4.350 -0.000 0.000 0.345 424 T C 0.175 174.915 174.700 0.067 0.000 1.562 424 T CA -0.546 61.599 62.100 0.075 0.000 1.090 424 T CB 1.419 70.312 68.868 0.042 0.000 1.383 424 T HN 0.655 nan 8.240 nan 0.000 0.484 425 Q N 1.109 120.946 119.800 0.061 0.000 2.319 425 Q HA 0.230 4.570 4.340 -0.000 0.000 0.202 425 Q C 0.494 176.538 176.000 0.073 0.000 0.896 425 Q CA -0.076 55.765 55.803 0.063 0.000 0.942 425 Q CB 0.652 29.422 28.738 0.053 0.000 1.083 425 Q HN 0.502 nan 8.270 nan 0.000 0.510 426 S N -0.025 115.714 115.700 0.065 0.000 2.422 426 S HA 0.096 4.566 4.470 -0.000 0.000 0.283 426 S C 0.558 175.229 174.600 0.119 0.000 1.163 426 S CA -0.552 57.696 58.200 0.080 0.000 1.054 426 S CB 0.111 63.334 63.200 0.037 0.000 0.967 426 S HN 0.410 nan 8.310 nan 0.000 0.499 427 F N 5.322 125.269 119.950 -0.004 0.000 2.120 427 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 427 F C 2.240 178.036 175.800 -0.007 0.000 1.095 427 F CA 1.879 59.876 58.000 -0.005 0.000 1.249 427 F CB -0.406 38.592 39.000 -0.004 0.000 0.995 427 F HN 0.767 nan 8.300 nan 0.000 0.480 428 A N 0.481 123.256 122.820 -0.075 0.000 1.908 428 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 428 A C 1.920 179.414 177.584 -0.149 0.000 1.181 428 A CA 2.041 53.979 52.037 -0.166 0.000 0.627 428 A CB -0.934 18.037 19.000 -0.049 0.000 0.818 428 A HN 0.518 nan 8.150 nan 0.000 0.445 429 N N 0.107 118.760 118.700 -0.078 0.000 2.142 429 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 429 N C 1.600 177.061 175.510 -0.081 0.000 1.023 429 N CA 1.472 54.484 53.050 -0.063 0.000 0.852 429 N CB -0.483 37.990 38.487 -0.024 0.000 0.998 429 N HN 0.580 nan 8.380 nan 0.000 0.424 430 I N 1.233 121.753 120.570 -0.084 0.000 2.179 430 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 430 I C 1.648 177.680 176.117 -0.142 0.000 1.088 430 I CA 0.942 62.193 61.300 -0.082 0.000 1.357 430 I CB -0.285 37.702 38.000 -0.021 0.000 1.051 430 I HN 0.109 nan 8.210 nan 0.000 0.409 431 N N 0.579 119.123 118.700 -0.260 0.000 2.104 431 N HA -0.264 4.476 4.740 -0.000 0.000 0.190 431 N C 1.809 177.221 175.510 -0.164 0.000 1.024 431 N CA 1.311 54.205 53.050 -0.261 0.000 0.853 431 N CB -0.440 37.795 38.487 -0.420 0.000 1.008 431 N HN 0.488 nan 8.380 nan 0.000 0.424 432 Q N 0.443 120.155 119.800 -0.146 0.000 2.119 432 Q HA -0.019 4.321 4.340 -0.000 0.000 0.201 432 Q C 1.915 177.865 176.000 -0.085 0.000 0.972 432 Q CA 1.452 57.194 55.803 -0.101 0.000 0.847 432 Q CB -0.038 28.647 28.738 -0.088 0.000 0.903 432 Q HN 0.366 nan 8.270 nan 0.000 0.433 433 A N 0.777 123.546 122.820 -0.086 0.000 1.858 433 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 433 A C 1.988 179.520 177.584 -0.087 0.000 1.190 433 A CA 1.488 53.477 52.037 -0.079 0.000 0.617 433 A CB -0.742 18.217 19.000 -0.069 0.000 0.827 433 A HN 0.475 nan 8.150 nan 0.000 0.443 434 I N -0.607 119.910 120.570 -0.088 0.000 2.226 434 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 434 I C 2.852 178.931 176.117 -0.065 0.000 1.100 434 I CA 1.485 62.734 61.300 -0.085 0.000 1.374 434 I CB -0.236 37.718 38.000 -0.075 0.000 1.057 434 I HN 0.433 nan 8.210 nan 0.000 0.413 435 S N 0.571 116.235 115.700 -0.060 0.000 2.348 435 S HA -0.196 4.274 4.470 -0.000 0.000 0.221 435 S C 1.562 176.152 174.600 -0.017 0.000 1.033 435 S CA 2.002 60.181 58.200 -0.035 0.000 1.010 435 S CB -0.107 63.066 63.200 -0.045 0.000 0.891 435 S HN 0.389 nan 8.310 nan 0.000 0.442 436 D N 0.212 120.591 120.400 -0.035 0.000 2.392 436 D HA 0.275 4.915 4.640 -0.000 0.000 0.206 436 D C 0.036 176.320 176.300 -0.028 0.000 1.046 436 D CA -0.015 53.972 54.000 -0.021 0.000 0.865 436 D CB -0.021 40.759 40.800 -0.033 0.000 0.969 436 D HN 0.351 nan 8.370 nan 0.000 0.509 437 L N 1.607 122.788 121.223 -0.070 0.000 2.410 437 L HA 0.124 4.464 4.340 -0.000 0.000 0.273 437 L C 0.597 177.374 176.870 -0.156 0.000 1.144 437 L CA 0.198 54.974 54.840 -0.106 0.000 0.863 437 L CB 0.682 42.657 42.059 -0.141 0.000 1.140 437 L HN -0.224 nan 8.230 nan 0.000 0.463 438 E N 3.565 123.704 120.200 -0.102 0.000 2.232 438 E HA 0.194 4.544 4.350 -0.000 0.000 0.296 438 E C -0.679 175.725 176.600 -0.326 0.000 1.372 438 E CA -0.250 56.122 56.400 -0.046 0.000 1.527 438 E CB 0.339 30.148 29.700 0.182 0.000 1.424 438 E HN 0.425 nan 8.360 nan 0.000 0.485 439 V N -3.360 116.041 119.914 -0.855 0.000 3.130 439 V HA 0.701 4.821 4.120 -0.000 0.000 0.310 439 V C 0.900 176.042 176.094 -1.586 0.000 1.158 439 V CA -0.796 60.966 62.300 -0.897 0.000 1.029 439 V CB 1.551 33.099 31.823 -0.459 0.000 1.057 439 V HN 0.178 nan 8.190 nan 0.000 0.436 440 G N -0.191 107.897 108.800 -1.186 0.000 2.939 440 G HA2 0.306 4.266 3.960 -0.000 0.000 0.210 440 G HA3 0.306 4.266 3.960 -0.000 0.000 0.210 440 G C 0.281 174.914 174.900 -0.445 0.000 1.160 440 G CA 0.162 44.734 45.100 -0.881 0.000 0.770 440 G HN 0.785 nan 8.290 nan 0.000 0.543 441 E N 0.088 120.042 120.200 -0.409 0.000 2.302 441 E HA 0.373 4.723 4.350 -0.000 0.000 0.263 441 E C -1.464 174.949 176.600 -0.312 0.000 0.897 441 E CA -0.473 55.743 56.400 -0.308 0.000 0.809 441 E CB 2.779 32.390 29.700 -0.148 0.000 1.270 441 E HN -0.068 nan 8.360 nan 0.000 0.410 442 V N 3.667 123.381 119.914 -0.335 0.000 2.394 442 V HA 0.326 4.446 4.120 -0.000 0.000 0.282 442 V C -0.873 175.042 176.094 -0.299 0.000 1.031 442 V CA -0.562 61.588 62.300 -0.250 0.000 0.881 442 V CB 0.351 32.056 31.823 -0.196 0.000 0.982 442 V HN 0.573 nan 8.190 nan 0.000 0.451 443 Y N 4.609 124.783 120.300 -0.211 0.000 2.335 443 Y HA 0.560 5.110 4.550 -0.000 0.000 0.338 443 Y C 0.094 175.966 175.900 -0.047 0.000 0.977 443 Y CA -0.949 57.100 58.100 -0.085 0.000 1.114 443 Y CB 1.572 40.044 38.460 0.020 0.000 1.182 443 Y HN 0.365 nan 8.280 nan 0.000 0.463 444 I N 4.371 124.980 120.570 0.064 0.000 2.321 444 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 444 I C -0.108 175.979 176.117 -0.050 0.000 0.998 444 I CA -0.831 60.466 61.300 -0.004 0.000 1.227 444 I CB 0.877 38.870 38.000 -0.011 0.000 1.368 444 I HN 0.765 nan 8.210 nan 0.000 0.466 445 N N 4.980 123.543 118.700 -0.228 0.000 2.738 445 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 445 N C -0.239 175.104 175.510 -0.279 0.000 1.047 445 N CA 0.749 53.534 53.050 -0.442 0.000 0.707 445 N CB -0.647 37.765 38.487 -0.124 0.000 0.937 445 N HN 0.846 nan 8.380 nan 0.000 0.545 446 R N -3.154 117.212 120.500 -0.223 0.000 2.752 446 R HA 0.783 5.122 4.340 -0.000 0.000 0.277 446 R C 0.319 176.688 176.300 0.115 0.000 1.024 446 R CA -0.467 55.672 56.100 0.066 0.000 0.866 446 R CB 0.055 30.428 30.300 0.123 0.000 1.278 446 R HN -0.036 nan 8.270 nan 0.000 0.473 447 G N -0.019 108.816 108.800 0.058 0.000 2.940 447 G HA2 0.453 4.413 3.960 -0.000 0.000 0.164 447 G HA3 0.453 4.413 3.960 -0.000 0.000 0.164 447 G C -0.723 174.018 174.900 -0.266 0.000 1.326 447 G CA -1.118 43.866 45.100 -0.193 0.000 1.020 447 G HN 0.550 nan 8.290 nan 0.000 0.586 448 M N 0.493 119.886 119.600 -0.345 0.000 2.240 448 M HA 0.450 4.930 4.480 -0.000 0.000 0.333 448 M C 0.344 176.588 176.300 -0.094 0.000 1.110 448 M CA 1.219 56.372 55.300 -0.244 0.000 1.173 448 M CB 0.777 33.273 32.600 -0.173 0.000 1.458 448 M HN 1.040 nan 8.290 nan 0.000 0.458 449 G N 4.182 112.956 108.800 -0.043 0.000 3.084 449 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.543 449 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.543 449 G C -1.043 173.957 174.900 0.166 0.000 1.239 449 G CA -0.722 44.394 45.100 0.026 0.000 1.190 449 G HN 0.786 nan 8.290 nan 0.000 0.549 450 E N 2.004 122.293 120.200 0.148 0.000 2.280 450 E HA 0.631 4.981 4.350 -0.000 0.000 0.261 450 E C -0.318 176.294 176.600 0.019 0.000 1.088 450 E CA -0.550 55.959 56.400 0.181 0.000 0.915 450 E CB 1.590 31.410 29.700 0.200 0.000 1.141 450 E HN 0.566 nan 8.360 nan 0.000 0.433 451 Q N -0.343 119.456 119.800 -0.001 0.000 2.399 451 Q HA 0.254 4.594 4.340 -0.000 0.000 0.276 451 Q C 0.509 176.457 176.000 -0.087 0.000 1.098 451 Q CA -1.015 54.706 55.803 -0.136 0.000 0.827 451 Q CB 1.491 30.148 28.738 -0.134 0.000 1.386 451 Q HN 0.534 nan 8.270 nan 0.000 0.443 452 H N 1.069 119.951 119.070 -0.313 0.000 2.421 452 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 452 H C 1.811 176.736 175.328 -0.672 0.000 1.087 452 H CA 1.520 57.285 56.048 -0.472 0.000 1.330 452 H CB 0.229 29.626 29.762 -0.609 0.000 1.388 452 H HN 0.587 nan 8.280 nan 0.000 0.526 453 Q N 1.023 120.610 119.800 -0.354 0.000 2.451 453 Q HA 0.085 4.425 4.340 -0.000 0.000 0.206 453 Q C 1.213 177.202 176.000 -0.018 0.000 0.947 453 Q CA 0.571 56.245 55.803 -0.215 0.000 0.937 453 Q CB -0.129 28.597 28.738 -0.020 0.000 1.025 453 Q HN 0.276 nan 8.270 nan 0.000 0.511 454 G N 1.099 109.914 108.800 0.026 0.000 2.486 454 G HA2 0.283 4.243 3.960 -0.000 0.000 0.272 454 G HA3 0.283 4.243 3.960 -0.000 0.000 0.272 454 G C -1.220 173.869 174.900 0.315 0.000 1.426 454 G CA -0.446 44.737 45.100 0.139 0.000 1.058 454 G HN 0.252 nan 8.290 nan 0.000 0.531 455 F N -0.336 119.701 119.950 0.146 0.000 2.612 455 F HA 0.381 4.908 4.527 -0.000 0.000 0.332 455 F C -0.784 175.133 175.800 0.194 0.000 1.167 455 F CA -1.463 56.661 58.000 0.205 0.000 0.970 455 F CB 1.455 40.609 39.000 0.257 0.000 1.234 455 F HN 0.462 nan 8.300 nan 0.000 0.453 456 H N 4.683 123.736 119.070 -0.027 0.000 2.908 456 H HA 0.342 4.898 4.556 -0.000 0.000 0.269 456 H C -0.836 174.292 175.328 -0.332 0.000 1.303 456 H CA 0.124 56.105 56.048 -0.111 0.000 1.341 456 H CB 0.106 29.889 29.762 0.035 0.000 1.519 456 H HN 0.488 nan 8.280 nan 0.000 0.505 457 N N 3.130 121.481 118.700 -0.582 0.000 2.609 457 N HA 0.240 4.980 4.740 -0.000 0.000 0.268 457 N C -0.616 174.742 175.510 -0.253 0.000 1.106 457 N CA -0.450 52.246 53.050 -0.590 0.000 0.823 457 N CB 0.943 38.815 38.487 -1.024 0.000 1.263 457 N HN 0.612 nan 8.380 nan 0.000 0.533 458 G N 1.890 110.578 108.800 -0.186 0.000 2.358 458 G HA2 0.252 4.212 3.960 -0.000 0.000 0.273 458 G HA3 0.252 4.212 3.960 -0.000 0.000 0.273 458 G C -0.323 174.681 174.900 0.174 0.000 1.215 458 G CA -0.315 44.757 45.100 -0.047 0.000 0.910 458 G HN 0.375 nan 8.290 nan 0.000 0.467 459 W N 1.568 122.808 121.300 -0.100 0.000 2.166 459 W HA 0.495 5.155 4.660 -0.000 0.000 0.364 459 W C 1.231 177.732 176.519 -0.030 0.000 1.344 459 W CA -1.284 56.018 57.345 -0.071 0.000 1.471 459 W CB 0.284 29.705 29.460 -0.064 0.000 1.220 459 W HN 0.778 nan 8.180 nan 0.000 0.666 460 K N -0.544 119.981 120.400 0.208 0.000 1.824 460 K HA -0.330 3.990 4.320 -0.000 0.000 0.120 460 K C 1.004 177.640 176.600 0.061 0.000 1.268 460 K CA 1.968 58.311 56.287 0.094 0.000 0.420 460 K CB -1.136 31.419 32.500 0.092 0.000 0.586 460 K HN 0.421 nan 8.250 nan 0.000 0.907 461 Q N 0.457 120.269 119.800 0.019 0.000 2.320 461 Q HA 0.131 4.470 4.340 -0.000 0.000 0.201 461 Q C 1.265 177.351 176.000 0.143 0.000 0.910 461 Q CA 0.456 56.262 55.803 0.005 0.000 0.946 461 Q CB 0.763 29.398 28.738 -0.171 0.000 1.062 461 Q HN 0.348 nan 8.270 nan 0.000 0.503 462 S N -0.138 115.678 115.700 0.194 0.000 2.522 462 S HA 0.171 4.641 4.470 -0.000 0.000 0.227 462 S C 0.765 175.433 174.600 0.113 0.000 0.986 462 S CA 0.606 58.926 58.200 0.201 0.000 0.929 462 S CB 0.409 63.702 63.200 0.154 0.000 0.769 462 S HN 0.578 nan 8.310 nan 0.000 0.529 463 G N 0.042 108.912 108.800 0.118 0.000 2.323 463 G HA2 0.432 4.392 3.960 -0.000 0.000 0.291 463 G HA3 0.432 4.392 3.960 -0.000 0.000 0.291 463 G C -2.216 172.808 174.900 0.207 0.000 1.278 463 G CA -0.834 44.344 45.100 0.130 0.000 0.860 463 G HN 0.121 nan 8.290 nan 0.000 0.504 464 F N -0.196 119.785 119.950 0.052 0.000 2.615 464 F HA 0.564 5.091 4.527 -0.000 0.000 0.312 464 F C 0.929 176.772 175.800 0.071 0.000 1.119 464 F CA 1.077 59.122 58.000 0.076 0.000 0.979 464 F CB 1.896 40.994 39.000 0.164 0.000 1.266 464 F HN 1.993 nan 8.300 nan 0.000 0.444 465 G N 2.584 111.123 108.800 -0.435 0.000 2.812 465 G HA2 0.236 4.196 3.960 -0.000 0.000 0.219 465 G HA3 0.236 4.196 3.960 -0.000 0.000 0.219 465 G C 0.881 175.802 174.900 0.034 0.000 1.275 465 G CA 0.418 45.427 45.100 -0.152 0.000 0.769 465 G HN 2.434 nan 8.290 nan 0.000 0.527 466 G N -0.471 108.316 108.800 -0.022 0.000 2.675 466 G HA2 0.415 4.375 3.960 -0.000 0.000 0.686 466 G HA3 0.415 4.375 3.960 -0.000 0.000 0.686 466 G C -0.748 174.250 174.900 0.163 0.000 1.215 466 G CA 0.870 45.844 45.100 -0.209 0.000 0.777 466 G HN 1.423 nan 8.290 nan 0.000 0.638 467 E N 0.403 120.687 120.200 0.140 0.000 2.336 467 E HA 0.611 4.961 4.350 -0.000 0.000 0.267 467 E C -0.593 176.279 176.600 0.453 0.000 0.906 467 E CA -0.265 56.332 56.400 0.328 0.000 0.781 467 E CB 1.513 31.355 29.700 0.236 0.000 1.261 467 E HN 0.802 nan 8.360 nan 0.000 0.436 468 D N 0.128 120.779 120.400 0.418 0.000 10.650 468 D HA 0.000 4.640 4.640 -0.000 0.000 0.339 468 D C 0.148 176.665 176.300 0.362 0.000 3.145 468 D CA 1.554 55.767 54.000 0.356 0.000 2.685 468 D CB -0.877 40.112 40.800 0.316 0.000 1.243 468 D HN 0.944 nan 8.370 nan 0.000 0.948 469 G N 0.436 109.349 108.800 0.189 0.000 2.698 469 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.233 469 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.233 469 G C 0.856 175.893 174.900 0.229 0.000 1.352 469 G CA 0.931 46.140 45.100 0.181 0.000 0.879 469 G HN 0.812 nan 8.290 nan 0.000 0.567 470 K N -0.661 119.745 120.400 0.011 0.000 2.063 470 K HA -0.006 4.314 4.320 -0.000 0.000 0.208 470 K C 2.399 178.816 176.600 -0.305 0.000 1.048 470 K CA 2.350 58.507 56.287 -0.216 0.000 0.928 470 K CB -0.253 31.956 32.500 -0.485 0.000 0.713 470 K HN 0.469 nan 8.250 nan 0.000 0.442 471 F N -0.029 119.789 119.950 -0.220 0.000 2.367 471 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 471 F C 2.363 178.109 175.800 -0.089 0.000 1.094 471 F CA 0.609 58.363 58.000 -0.409 0.000 1.409 471 F CB -0.279 37.961 39.000 -1.266 0.000 1.064 471 F HN 0.192 nan 8.300 nan 0.000 0.528 472 G N 0.287 109.265 108.800 0.295 0.000 2.394 472 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.214 472 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.214 472 G C 1.573 176.726 174.900 0.422 0.000 1.176 472 G CA 0.554 45.917 45.100 0.438 0.000 0.786 472 G HN 0.241 nan 8.290 nan 0.000 0.533 473 L N 0.695 122.134 121.223 0.360 0.000 2.042 473 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 473 L C 2.617 179.664 176.870 0.294 0.000 1.076 473 L CA 2.281 57.325 54.840 0.341 0.000 0.749 473 L CB -0.446 41.726 42.059 0.188 0.000 0.893 473 L HN 0.235 nan 8.230 nan 0.000 0.432 474 E N -0.359 119.950 120.200 0.182 0.000 2.118 474 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 474 E C 2.188 178.873 176.600 0.141 0.000 0.992 474 E CA 1.472 57.953 56.400 0.134 0.000 0.804 474 E CB -0.180 29.584 29.700 0.107 0.000 0.741 474 E HN 0.646 nan 8.360 nan 0.000 0.458 475 Q N -1.483 118.396 119.800 0.132 0.000 2.297 475 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 475 Q C 1.140 177.112 176.000 -0.048 0.000 0.962 475 Q CA 0.884 56.700 55.803 0.022 0.000 0.879 475 Q CB -0.046 28.672 28.738 -0.034 0.000 0.947 475 Q HN 0.445 nan 8.270 nan 0.000 0.462 476 Y N -0.272 120.091 120.300 0.104 0.000 2.529 476 Y HA 0.102 4.652 4.550 -0.000 0.000 0.290 476 Y C 0.250 176.199 175.900 0.080 0.000 1.177 476 Y CA 0.189 58.344 58.100 0.093 0.000 1.305 476 Y CB 0.444 38.963 38.460 0.098 0.000 1.047 476 Y HN -0.017 nan 8.280 nan 0.000 0.522 477 L N 0.235 121.574 121.223 0.193 0.000 2.322 477 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 477 L C -0.182 176.748 176.870 0.100 0.000 1.014 477 L CA -0.991 53.930 54.840 0.135 0.000 0.815 477 L CB 1.714 43.841 42.059 0.114 0.000 1.247 477 L HN -0.149 nan 8.230 nan 0.000 0.421 478 E N 2.290 122.543 120.200 0.089 0.000 2.319 478 E HA 0.369 4.719 4.350 -0.000 0.000 0.268 478 E C -1.086 175.560 176.600 0.077 0.000 1.050 478 E CA -0.428 56.017 56.400 0.075 0.000 0.878 478 E CB 1.021 30.761 29.700 0.067 0.000 1.066 478 E HN 0.211 nan 8.360 nan 0.000 0.406 479 K N 1.789 122.234 120.400 0.074 0.000 2.118 479 K HA 0.460 4.780 4.320 -0.000 0.000 0.254 479 K C -0.895 175.759 176.600 0.091 0.000 0.961 479 K CA -0.587 55.749 56.287 0.082 0.000 0.876 479 K CB 1.424 33.965 32.500 0.070 0.000 1.077 479 K HN 0.326 nan 8.250 nan 0.000 0.440 480 K N 1.169 121.641 120.400 0.120 0.000 2.541 480 K HA 0.347 4.667 4.320 -0.000 0.000 0.250 480 K C -1.204 175.504 176.600 0.180 0.000 0.950 480 K CA -0.359 56.005 56.287 0.129 0.000 0.805 480 K CB 1.321 33.879 32.500 0.098 0.000 1.166 480 K HN 0.602 nan 8.250 nan 0.000 0.430 481 T N 2.429 117.073 114.554 0.151 0.000 2.882 481 T HA 0.366 4.716 4.350 -0.000 0.000 0.287 481 T C -0.661 174.154 174.700 0.191 0.000 0.992 481 T CA -0.511 61.673 62.100 0.140 0.000 1.076 481 T CB 1.293 70.231 68.868 0.117 0.000 0.961 481 T HN 0.269 nan 8.240 nan 0.000 0.490 482 V N 3.592 123.612 119.914 0.178 0.000 2.482 482 V HA 0.329 4.449 4.120 -0.000 0.000 0.295 482 V C -1.330 174.863 176.094 0.165 0.000 1.026 482 V CA -1.059 61.384 62.300 0.238 0.000 0.856 482 V CB 0.964 32.956 31.823 0.283 0.000 1.001 482 V HN 0.801 nan 8.190 nan 0.000 0.424 483 Y N 4.810 125.198 120.300 0.147 0.000 2.367 483 Y HA 0.589 5.139 4.550 -0.000 0.000 0.342 483 Y C 0.361 176.339 175.900 0.130 0.000 0.979 483 Y CA -0.690 57.479 58.100 0.116 0.000 1.161 483 Y CB 1.241 39.739 38.460 0.065 0.000 1.155 483 Y HN 0.465 nan 8.280 nan 0.000 0.503 484 I N 4.000 124.730 120.570 0.268 0.000 2.405 484 I HA 0.167 4.336 4.170 -0.000 0.000 0.280 484 I C -0.357 175.856 176.117 0.160 0.000 1.027 484 I CA -0.813 60.618 61.300 0.219 0.000 1.161 484 I CB 0.938 39.102 38.000 0.273 0.000 1.300 484 I HN 0.549 nan 8.210 nan 0.000 0.463 485 N N 5.413 124.188 118.700 0.126 0.000 2.442 485 N HA 0.074 4.814 4.740 -0.000 0.000 0.265 485 N C 0.521 176.074 175.510 0.072 0.000 1.138 485 N CA 0.374 53.477 53.050 0.088 0.000 0.956 485 N CB 0.834 39.362 38.487 0.069 0.000 1.067 485 N HN 0.502 nan 8.380 nan 0.000 0.474 486 E N 1.619 121.857 120.200 0.064 0.000 2.476 486 E HA 0.195 4.545 4.350 -0.000 0.000 0.199 486 E C 0.499 177.121 176.600 0.038 0.000 1.021 486 E CA -0.355 56.077 56.400 0.053 0.000 0.907 486 E CB 0.421 30.155 29.700 0.056 0.000 0.974 486 E HN 0.672 nan 8.360 nan 0.000 0.489 487 A N 0.000 122.841 122.820 0.034 0.000 2.254 487 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 487 A CA 0.000 52.052 52.037 0.026 0.000 0.836 487 A CB 0.000 19.014 19.000 0.024 0.000 0.831 487 A HN 0.000 nan 8.150 nan 0.000 0.486