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 3khd_1_B DATA FIRST_RESID 19 DATA SEQUENCE AAGASMQSAA NITLRQILEP XNVNLRSKKT HIVCTLGPAC KSVETLVKLI DATA SEQUENCE DAGMDICRFN FSHGSHEDHK EMFNNVLKAQ ELRPNCLLGM LLDTKGPEIR DATA SEQUENCE TGFLKNKEVH LKEGSKLKLV TDYEFLGDET CIACSYKKLP QSVKPGNIIL DATA SEQUENCE IADGSVSCKV LETHEDHVIT EVLNSAVIGE RKNMNLPNVK VDLPIISEKD DATA SEQUENCE KNDILNFAIP MGCNFIAASF IQSADDVRLI RNLLGPRGRH IKIIPKIENI DATA SEQUENCE EGIIHFDKIL AESDGIMIAR GDLGMEISPE KVFLAQKLMI SKCNLQGKPI DATA SEQUENCE ITATQMLESM TKNPRPTRAE VTDVANAVLD GTDCVMLSGE TAGGKFPVEA DATA SEQUENCE VTIMSKICLE AEACIDYKLL YQSLVNAIXT PISVQEAVAR SAVETAESIQ DATA SEQUENCE ASLIIALTET GYTARLIAKY KPSCTILALS ASDSTVKCLN VHRGVTCIKV DATA SEQUENCE GSFQGTDIVI RNAIEIAKQR NMAKVGDSVI AIHGIKEEVS GGTNLMKVVQ DATA SEQUENCE IE 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.562 177.584 -0.037 0.000 1.274 19 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 19 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 20 A N 0.622 123.412 122.820 -0.050 0.000 2.842 20 A HA 0.648 4.969 4.320 0.001 0.000 0.298 20 A C 0.841 178.357 177.584 -0.113 0.000 1.293 20 A CA 0.857 52.849 52.037 -0.075 0.000 0.959 20 A CB -0.920 18.040 19.000 -0.067 0.000 1.119 20 A HN 1.371 nan 8.150 nan 0.000 0.564 21 G N -0.738 108.006 108.800 -0.093 0.000 3.211 21 G HA2 0.580 4.540 3.960 0.001 0.000 0.167 21 G HA3 0.580 4.540 3.960 0.001 0.000 0.167 21 G C 0.130 174.974 174.900 -0.093 0.000 1.212 21 G CA 0.027 45.068 45.100 -0.099 0.000 0.928 21 G HN 0.783 nan 8.290 nan 0.000 0.607 22 A N -0.018 122.762 122.820 -0.068 0.000 2.440 22 A HA 0.557 4.878 4.320 0.001 0.000 0.251 22 A C 0.935 178.498 177.584 -0.036 0.000 1.089 22 A CA 0.529 52.536 52.037 -0.050 0.000 0.779 22 A CB -0.073 18.904 19.000 -0.037 0.000 1.022 22 A HN 1.551 nan 8.150 nan 0.000 0.492 23 S N 3.008 118.692 115.700 -0.027 0.000 2.713 23 S HA 0.411 4.881 4.470 0.001 0.000 0.277 23 S C 1.314 175.908 174.600 -0.011 0.000 1.168 23 S CA -0.591 57.600 58.200 -0.015 0.000 0.994 23 S CB 0.452 63.649 63.200 -0.006 0.000 1.054 23 S HN 0.605 nan 8.310 nan 0.000 0.555 24 M N 0.284 119.880 119.600 -0.006 0.000 2.073 24 M HA -0.161 4.319 4.480 0.001 0.000 0.258 24 M C 2.342 178.641 176.300 -0.002 0.000 1.070 24 M CA 2.098 57.395 55.300 -0.005 0.000 1.103 24 M CB -1.602 30.997 32.600 -0.002 0.000 1.321 24 M HN 0.937 nan 8.290 nan 0.000 0.405 25 Q N -0.158 119.643 119.800 0.001 0.000 2.046 25 Q HA -0.069 4.271 4.340 0.001 0.000 0.200 25 Q C 2.148 178.150 176.000 0.004 0.000 0.975 25 Q CA 2.801 58.607 55.803 0.004 0.000 0.836 25 Q CB -0.494 28.250 28.738 0.009 0.000 0.896 25 Q HN 0.618 nan 8.270 nan 0.000 0.428 26 S N -0.102 115.600 115.700 0.003 0.000 2.370 26 S HA -0.104 4.366 4.470 0.001 0.000 0.226 26 S C 2.023 176.622 174.600 -0.002 0.000 1.033 26 S CA 1.721 59.923 58.200 0.003 0.000 1.011 26 S CB -0.794 62.404 63.200 -0.003 0.000 0.852 26 S HN 0.499 nan 8.310 nan 0.000 0.457 27 A N 0.929 123.745 122.820 -0.007 0.000 1.930 27 A HA 0.433 4.754 4.320 0.001 0.000 0.217 27 A C 2.508 180.088 177.584 -0.006 0.000 1.175 27 A CA 1.713 53.744 52.037 -0.009 0.000 0.627 27 A CB -0.864 18.128 19.000 -0.013 0.000 0.815 27 A HN 1.009 nan 8.150 nan 0.000 0.443 28 A N -0.336 122.482 122.820 -0.004 0.000 2.119 28 A HA -0.048 4.272 4.320 0.001 0.000 0.217 28 A C 1.493 179.077 177.584 -0.000 0.000 1.153 28 A CA 1.257 53.292 52.037 -0.003 0.000 0.692 28 A CB -0.370 18.629 19.000 -0.002 0.000 0.799 28 A HN 0.464 nan 8.150 nan 0.000 0.458 29 N N -0.175 118.526 118.700 0.002 0.000 2.322 29 N HA 0.172 4.912 4.740 0.001 0.000 0.194 29 N C -0.096 175.416 175.510 0.004 0.000 1.126 29 N CA 0.013 53.066 53.050 0.004 0.000 0.845 29 N CB -0.105 38.387 38.487 0.008 0.000 0.976 29 N HN 0.465 nan 8.380 nan 0.000 0.475 30 I N 2.138 122.709 120.570 0.002 0.000 2.671 30 I HA -0.086 4.084 4.170 0.001 0.000 0.285 30 I C 0.921 177.038 176.117 0.001 0.000 1.148 30 I CA 0.126 61.426 61.300 0.001 0.000 1.386 30 I CB -0.088 37.910 38.000 -0.002 0.000 1.406 30 I HN 0.065 nan 8.210 nan 0.000 0.540 31 T N 2.355 116.911 114.554 0.003 0.000 2.828 31 T HA 0.304 4.655 4.350 0.001 0.000 0.290 31 T C 1.504 176.204 174.700 0.000 0.000 1.019 31 T CA -0.313 61.788 62.100 0.002 0.000 1.031 31 T CB 1.393 70.263 68.868 0.003 0.000 1.001 31 T HN 0.401 nan 8.240 nan 0.000 0.531 32 L N 0.856 122.079 121.223 -0.000 0.000 2.131 32 L HA 0.098 4.438 4.340 0.001 0.000 0.210 32 L C 2.934 179.803 176.870 -0.001 0.000 1.092 32 L CA 2.480 57.319 54.840 -0.001 0.000 0.759 32 L CB -2.031 40.027 42.059 -0.002 0.000 0.903 32 L HN 1.042 nan 8.230 nan 0.000 0.435 33 R N -0.938 119.562 120.500 -0.000 0.000 2.091 33 R HA -0.243 4.098 4.340 0.001 0.000 0.238 33 R C 2.399 178.699 176.300 0.000 0.000 1.136 33 R CA 2.123 58.223 56.100 0.000 0.000 0.959 33 R CB -0.389 29.912 30.300 0.001 0.000 0.856 33 R HN 0.771 nan 8.270 nan 0.000 0.437 34 Q N -0.004 119.797 119.800 0.001 0.000 2.170 34 Q HA -0.119 4.222 4.340 0.001 0.000 0.203 34 Q C 1.996 177.996 176.000 -0.001 0.000 0.976 34 Q CA 1.853 57.657 55.803 0.002 0.000 0.858 34 Q CB -0.001 28.738 28.738 0.003 0.000 0.907 34 Q HN 0.501 nan 8.270 nan 0.000 0.433 35 I N -0.818 119.750 120.570 -0.002 0.000 2.852 35 I HA -0.116 4.054 4.170 0.001 0.000 0.264 35 I C 1.627 177.742 176.117 -0.005 0.000 1.179 35 I CA 0.661 61.959 61.300 -0.004 0.000 1.480 35 I CB 0.142 38.139 38.000 -0.005 0.000 1.111 35 I HN 0.129 nan 8.210 nan 0.000 0.441 36 L N 0.464 121.685 121.223 -0.004 0.000 2.467 36 L HA 0.221 4.562 4.340 0.001 0.000 0.213 36 L C 1.300 178.168 176.870 -0.004 0.000 1.053 36 L CA 0.155 54.993 54.840 -0.004 0.000 0.847 36 L CB -0.215 41.842 42.059 -0.004 0.000 1.075 36 L HN 0.102 nan 8.230 nan 0.000 0.479 37 E N 2.728 122.926 120.200 -0.003 0.000 2.167 37 E HA 0.409 4.760 4.350 0.001 0.000 0.284 37 E C -2.290 174.309 176.600 -0.002 0.000 1.016 37 E CA -1.887 54.512 56.400 -0.003 0.000 0.817 37 E CB -0.442 29.257 29.700 -0.001 0.000 1.080 37 E HN 0.090 nan 8.360 nan 0.000 0.397 41 V N 0.622 120.540 119.914 0.006 0.000 2.713 41 V HA 0.516 4.637 4.120 0.001 0.000 0.307 41 V C 0.851 176.951 176.094 0.010 0.000 1.052 41 V CA -1.139 61.166 62.300 0.009 0.000 0.967 41 V CB 1.847 33.677 31.823 0.011 0.000 1.019 41 V HN 0.820 nan 8.190 nan 0.000 0.459 42 N N 2.113 120.820 118.700 0.011 0.000 2.357 42 N HA 0.017 4.758 4.740 0.001 0.000 0.257 42 N C 0.888 176.409 175.510 0.019 0.000 1.250 42 N CA -0.068 52.990 53.050 0.013 0.000 0.862 42 N CB 0.705 39.200 38.487 0.013 0.000 1.066 42 N HN 0.623 nan 8.380 nan 0.000 0.468 43 L N 3.711 124.945 121.223 0.019 0.000 2.201 43 L HA -0.076 4.265 4.340 0.001 0.000 0.212 43 L C 2.154 179.045 176.870 0.035 0.000 1.105 43 L CA 0.887 55.741 54.840 0.024 0.000 0.775 43 L CB -0.212 41.859 42.059 0.020 0.000 0.913 43 L HN 0.538 nan 8.230 nan 0.000 0.440 44 R N -0.643 119.877 120.500 0.032 0.000 2.313 44 R HA -0.017 4.323 4.340 0.001 0.000 0.199 44 R C 2.243 178.575 176.300 0.054 0.000 0.958 44 R CA 0.638 56.763 56.100 0.042 0.000 1.047 44 R CB -0.049 30.267 30.300 0.027 0.000 0.955 44 R HN 0.207 nan 8.270 nan 0.000 0.481 45 S N 1.543 117.270 115.700 0.044 0.000 2.496 45 S HA -0.055 4.415 4.470 0.001 0.000 0.224 45 S C 0.820 175.452 174.600 0.052 0.000 0.996 45 S CA -0.039 58.186 58.200 0.042 0.000 0.927 45 S CB 0.106 63.322 63.200 0.028 0.000 0.774 45 S HN 0.309 nan 8.310 nan 0.000 0.524 46 K N 0.620 121.056 120.400 0.061 0.000 2.285 46 K HA 0.109 4.430 4.320 0.001 0.000 0.255 46 K C 0.555 177.192 176.600 0.062 0.000 1.000 46 K CA -0.372 55.950 56.287 0.059 0.000 0.887 46 K CB 0.329 32.865 32.500 0.060 0.000 0.997 46 K HN -0.113 nan 8.250 nan 0.000 0.510 47 K N 0.486 120.900 120.400 0.022 0.000 2.240 47 K HA 0.065 4.385 4.320 0.001 0.000 0.202 47 K C 0.321 176.795 176.600 -0.211 0.000 1.053 47 K CA 0.724 56.983 56.287 -0.047 0.000 0.973 47 K CB -0.294 32.213 32.500 0.011 0.000 0.924 47 K HN 0.691 nan 8.250 nan 0.000 0.477 48 T N 2.637 117.125 114.554 -0.110 0.000 2.916 48 T HA 0.108 4.458 4.350 0.001 0.000 0.303 48 T C 0.063 174.736 174.700 -0.046 0.000 1.025 48 T CA 0.196 62.222 62.100 -0.123 0.000 1.142 48 T CB 0.261 69.106 68.868 -0.039 0.000 0.947 48 T HN 0.140 nan 8.240 nan 0.000 0.544 49 H N 0.900 119.975 119.070 0.009 0.000 2.502 49 H HA 0.550 5.107 4.556 0.001 0.000 0.338 49 H C -0.074 175.248 175.328 -0.011 0.000 1.155 49 H CA -1.037 55.013 56.048 0.004 0.000 1.237 49 H CB 1.197 30.962 29.762 0.006 0.000 1.534 49 H HN 0.417 nan 8.280 nan 0.000 0.523 50 I N 2.370 123.018 120.570 0.130 0.000 2.378 50 I HA 0.176 4.347 4.170 0.001 0.000 0.291 50 I C -0.661 175.468 176.117 0.019 0.000 0.992 50 I CA -0.823 60.508 61.300 0.052 0.000 1.154 50 I CB 1.814 39.836 38.000 0.038 0.000 1.315 50 I HN 0.210 nan 8.210 nan 0.000 0.448 51 V N 5.532 125.447 119.914 0.001 0.000 2.370 51 V HA 0.253 4.373 4.120 0.001 0.000 0.279 51 V C -0.251 175.833 176.094 -0.016 0.000 1.029 51 V CA -0.426 61.865 62.300 -0.016 0.000 0.870 51 V CB 1.189 32.993 31.823 -0.030 0.000 0.984 51 V HN 0.788 nan 8.190 nan 0.000 0.451 52 C N 3.772 123.055 119.300 -0.029 0.000 2.303 52 C HA 0.481 4.941 4.460 0.001 0.000 0.326 52 C C 0.943 175.892 174.990 -0.068 0.000 1.285 52 C CA -0.533 58.461 59.018 -0.039 0.000 1.675 52 C CB 0.846 28.561 27.740 -0.042 0.000 2.289 52 C HN 0.876 nan 8.230 nan 0.000 0.512 53 T N 5.315 119.837 114.554 -0.053 0.000 2.779 53 T HA 0.287 4.637 4.350 0.001 0.000 0.296 53 T C 0.153 174.794 174.700 -0.099 0.000 0.938 53 T CA 0.121 62.181 62.100 -0.067 0.000 1.119 53 T CB 0.109 68.964 68.868 -0.020 0.000 0.891 53 T HN 0.383 nan 8.240 nan 0.000 0.526 54 L N 2.909 124.023 121.223 -0.182 0.000 2.375 54 L HA 0.755 5.095 4.340 0.001 0.000 0.271 54 L C 1.008 177.819 176.870 -0.099 0.000 1.107 54 L CA -0.329 54.397 54.840 -0.192 0.000 0.806 54 L CB 0.982 42.813 42.059 -0.381 0.000 1.146 54 L HN 0.841 nan 8.230 nan 0.000 0.447 55 G N 1.392 110.152 108.800 -0.066 0.000 2.428 55 G HA2 0.277 4.237 3.960 0.001 0.000 0.304 55 G HA3 0.277 4.237 3.960 0.001 0.000 0.304 55 G C -2.748 172.134 174.900 -0.030 0.000 1.303 55 G CA -0.416 44.667 45.100 -0.028 0.000 0.825 55 G HN 0.295 nan 8.290 nan 0.000 0.484 56 P HA -0.023 nan 4.420 nan 0.000 0.216 56 P C 2.014 179.298 177.300 -0.027 0.000 1.150 56 P CA 2.335 65.419 63.100 -0.026 0.000 0.843 56 P CB 0.118 31.800 31.700 -0.029 0.000 0.787 57 A N -0.780 122.022 122.820 -0.030 0.000 2.121 57 A HA -0.129 4.191 4.320 0.001 0.000 0.218 57 A C 1.710 179.280 177.584 -0.023 0.000 1.154 57 A CA 1.526 53.544 52.037 -0.032 0.000 0.679 57 A CB -1.314 17.662 19.000 -0.040 0.000 0.795 57 A HN 0.466 nan 8.150 nan 0.000 0.458 58 C N -4.129 115.157 119.300 -0.024 0.000 2.994 58 C HA 0.752 5.212 4.460 0.001 0.000 0.250 58 C C 1.681 176.659 174.990 -0.020 0.000 1.814 58 C CA 0.050 59.055 59.018 -0.021 0.000 1.730 58 C CB -0.580 27.142 27.740 -0.029 0.000 3.258 58 C HN 0.466 nan 8.230 nan 0.000 0.472 59 K N 1.278 121.670 120.400 -0.013 0.000 2.148 59 K HA 0.140 4.461 4.320 0.001 0.000 0.204 59 K C 1.113 177.719 176.600 0.010 0.000 1.050 59 K CA 1.612 57.898 56.287 -0.002 0.000 0.942 59 K CB -0.812 31.687 32.500 -0.002 0.000 0.724 59 K HN 0.935 nan 8.250 nan 0.000 0.446 60 S N -0.134 115.570 115.700 0.007 0.000 2.580 60 S HA 0.288 4.758 4.470 0.001 0.000 0.274 60 S C 1.359 175.967 174.600 0.014 0.000 1.329 60 S CA -0.291 57.916 58.200 0.013 0.000 1.036 60 S CB 1.778 64.984 63.200 0.010 0.000 0.919 60 S HN 0.140 nan 8.310 nan 0.000 0.515 61 V N 2.570 122.495 119.914 0.020 0.000 2.392 61 V HA -0.163 3.957 4.120 0.001 0.000 0.249 61 V C 3.247 179.349 176.094 0.014 0.000 1.059 61 V CA 2.631 64.942 62.300 0.020 0.000 1.051 61 V CB -1.989 29.849 31.823 0.024 0.000 0.658 61 V HN 1.044 nan 8.190 nan 0.000 0.455 62 E N -0.082 120.126 120.200 0.013 0.000 2.077 62 E HA -0.290 4.060 4.350 0.001 0.000 0.193 62 E C 2.156 178.762 176.600 0.011 0.000 0.989 62 E CA 2.145 58.553 56.400 0.012 0.000 0.800 62 E CB -1.265 28.443 29.700 0.013 0.000 0.746 62 E HN 0.710 nan 8.360 nan 0.000 0.452 63 T N 0.833 115.392 114.554 0.009 0.000 2.737 63 T HA -0.068 4.283 4.350 0.001 0.000 0.265 63 T C 1.969 176.671 174.700 0.003 0.000 1.038 63 T CA 1.115 63.219 62.100 0.008 0.000 1.144 63 T CB -0.290 68.581 68.868 0.005 0.000 0.866 63 T HN 0.207 nan 8.240 nan 0.000 0.434 64 L N 1.222 122.444 121.223 -0.001 0.000 2.051 64 L HA -0.099 4.241 4.340 0.001 0.000 0.214 64 L C 2.640 179.508 176.870 -0.003 0.000 1.076 64 L CA 1.328 56.163 54.840 -0.007 0.000 0.758 64 L CB -1.375 40.681 42.059 -0.006 0.000 0.890 64 L HN 0.152 nan 8.230 nan 0.000 0.433 65 V N -0.801 119.114 119.914 0.003 0.000 2.343 65 V HA -0.293 3.828 4.120 0.001 0.000 0.247 65 V C 2.469 178.565 176.094 0.005 0.000 1.051 65 V CA 1.587 63.890 62.300 0.004 0.000 1.036 65 V CB -0.488 31.339 31.823 0.008 0.000 0.654 65 V HN 0.443 nan 8.190 nan 0.000 0.451 66 K N -0.251 120.154 120.400 0.007 0.000 2.147 66 K HA -0.072 4.248 4.320 0.001 0.000 0.205 66 K C 2.035 178.639 176.600 0.008 0.000 1.049 66 K CA 1.185 57.477 56.287 0.009 0.000 0.936 66 K CB -0.234 32.274 32.500 0.014 0.000 0.722 66 K HN 0.372 nan 8.250 nan 0.000 0.446 67 L N 0.631 121.857 121.223 0.004 0.000 2.093 67 L HA -0.148 4.192 4.340 0.001 0.000 0.208 67 L C 2.257 179.126 176.870 -0.001 0.000 1.085 67 L CA 0.941 55.782 54.840 0.001 0.000 0.755 67 L CB -0.394 41.660 42.059 -0.008 0.000 0.904 67 L HN 0.168 nan 8.230 nan 0.000 0.435 68 I N 0.069 120.637 120.570 -0.003 0.000 2.127 68 I HA -0.319 3.852 4.170 0.001 0.000 0.241 68 I C 2.116 178.234 176.117 0.002 0.000 1.075 68 I CA 1.387 62.685 61.300 -0.004 0.000 1.334 68 I CB -0.384 37.614 38.000 -0.004 0.000 1.040 68 I HN 0.270 nan 8.210 nan 0.000 0.405 69 D N 0.965 121.367 120.400 0.004 0.000 2.182 69 D HA -0.143 4.497 4.640 0.001 0.000 0.201 69 D C 2.119 178.425 176.300 0.009 0.000 0.986 69 D CA 1.458 55.462 54.000 0.007 0.000 0.847 69 D CB -0.122 40.683 40.800 0.007 0.000 0.942 69 D HN 0.374 nan 8.370 nan 0.000 0.467 70 A N -0.403 122.422 122.820 0.009 0.000 2.119 70 A HA 0.337 4.657 4.320 0.001 0.000 0.216 70 A C 1.668 179.261 177.584 0.016 0.000 1.152 70 A CA 1.370 53.414 52.037 0.012 0.000 0.708 70 A CB 0.025 19.033 19.000 0.012 0.000 0.805 70 A HN 0.289 nan 8.150 nan 0.000 0.460 71 G N -1.563 107.245 108.800 0.014 0.000 2.157 71 G HA2 -0.121 3.839 3.960 0.001 0.000 0.118 71 G HA3 -0.121 3.839 3.960 0.001 0.000 0.118 71 G C 0.028 174.938 174.900 0.016 0.000 1.032 71 G CA 0.002 45.115 45.100 0.021 0.000 0.697 71 G HN 0.553 nan 8.290 nan 0.000 0.495 72 M N 0.711 120.312 119.600 0.002 0.000 2.228 72 M HA 0.405 4.886 4.480 0.001 0.000 0.351 72 M C 0.437 176.721 176.300 -0.026 0.000 1.233 72 M CA 0.552 55.847 55.300 -0.009 0.000 1.129 72 M CB 0.406 32.996 32.600 -0.016 0.000 1.604 72 M HN 0.140 nan 8.290 nan 0.000 0.457 73 D N 4.224 124.602 120.400 -0.036 0.000 2.602 73 D HA 0.245 4.885 4.640 0.001 0.000 0.284 73 D C -0.074 176.206 176.300 -0.034 0.000 1.065 73 D CA 0.490 54.440 54.000 -0.084 0.000 0.923 73 D CB 0.858 41.537 40.800 -0.201 0.000 1.373 73 D HN 0.429 nan 8.370 nan 0.000 0.492 74 I N 1.838 122.402 120.570 -0.009 0.000 2.474 74 I HA 0.271 4.442 4.170 0.001 0.000 0.294 74 I C -0.150 175.974 176.117 0.012 0.000 1.005 74 I CA -0.549 60.771 61.300 0.034 0.000 1.113 74 I CB 1.786 39.788 38.000 0.005 0.000 1.289 74 I HN -0.078 nan 8.210 nan 0.000 0.436 75 C N 5.434 124.753 119.300 0.031 0.000 2.307 75 C HA 0.469 4.929 4.460 0.001 0.000 0.340 75 C C 0.834 175.814 174.990 -0.018 0.000 1.275 75 C CA -0.666 58.315 59.018 -0.061 0.000 1.811 75 C CB 0.572 28.237 27.740 -0.124 0.000 2.372 75 C HN 0.742 nan 8.230 nan 0.000 0.531 76 R N 2.182 122.618 120.500 -0.107 0.000 2.294 76 R HA 0.538 4.878 4.340 0.001 0.000 0.319 76 R C -1.590 174.628 176.300 -0.136 0.000 0.984 76 R CA -0.304 55.793 56.100 -0.005 0.000 0.861 76 R CB 0.435 30.738 30.300 0.005 0.000 1.104 76 R HN 0.620 nan 8.270 nan 0.000 0.451 77 F N 3.458 123.484 119.950 0.128 0.000 2.361 77 F HA 0.257 4.785 4.527 0.001 0.000 0.364 77 F C 0.440 176.280 175.800 0.067 0.000 1.117 77 F CA -0.837 57.231 58.000 0.113 0.000 1.071 77 F CB 1.203 40.327 39.000 0.207 0.000 1.188 77 F HN 0.452 nan 8.300 nan 0.000 0.464 78 N N 3.564 122.318 118.700 0.089 0.000 2.415 78 N HA 0.102 4.842 4.740 0.001 0.000 0.246 78 N C -0.109 175.300 175.510 -0.170 0.000 1.078 78 N CA -0.053 52.986 53.050 -0.017 0.000 0.942 78 N CB 0.097 38.523 38.487 -0.101 0.000 1.140 78 N HN 0.408 nan 8.380 nan 0.000 0.501 79 F N 1.272 121.094 119.950 -0.213 0.000 2.664 79 F HA 0.169 4.696 4.527 0.001 0.000 0.301 79 F C 1.966 177.705 175.800 -0.102 0.000 1.126 79 F CA -0.009 57.864 58.000 -0.212 0.000 1.373 79 F CB 0.194 39.044 39.000 -0.250 0.000 1.042 79 F HN 0.442 nan 8.300 nan 0.000 0.535 80 S N -0.981 114.698 115.700 -0.035 0.000 2.447 80 S HA -0.077 4.394 4.470 0.001 0.000 0.233 80 S C 0.375 175.027 174.600 0.086 0.000 1.006 80 S CA 0.681 58.901 58.200 0.034 0.000 0.957 80 S CB -0.495 62.752 63.200 0.079 0.000 0.773 80 S HN 0.487 nan 8.310 nan 0.000 0.507 81 H N -2.093 117.019 119.070 0.069 0.000 3.037 81 H HA 0.575 5.131 4.556 0.001 0.000 0.355 81 H C -0.110 175.234 175.328 0.027 0.000 1.263 81 H CA -0.488 55.584 56.048 0.041 0.000 1.129 81 H CB 0.994 30.766 29.762 0.017 0.000 1.861 81 H HN 0.205 nan 8.280 nan 0.000 0.546 82 G N -0.370 108.490 108.800 0.100 0.000 2.697 82 G HA2 0.353 4.313 3.960 0.001 0.000 0.686 82 G HA3 0.353 4.313 3.960 0.001 0.000 0.686 82 G C -0.320 174.567 174.900 -0.023 0.000 1.179 82 G CA -0.170 44.892 45.100 -0.064 0.000 0.765 82 G HN 1.122 nan 8.290 nan 0.000 0.649 83 S N -0.127 115.556 115.700 -0.028 0.000 2.624 83 S HA 0.620 5.091 4.470 0.001 0.000 0.263 83 S C 1.184 175.907 174.600 0.203 0.000 1.287 83 S CA 0.589 58.840 58.200 0.085 0.000 0.990 83 S CB 0.264 63.501 63.200 0.061 0.000 0.950 83 S HN 0.862 nan 8.310 nan 0.000 0.561 84 H N 0.621 119.772 119.070 0.134 0.000 2.389 84 H HA -0.052 4.504 4.556 0.001 0.000 0.299 84 H C 2.658 178.132 175.328 0.244 0.000 1.081 84 H CA 1.417 57.609 56.048 0.239 0.000 1.345 84 H CB 0.157 30.090 29.762 0.286 0.000 1.393 84 H HN 0.887 nan 8.280 nan 0.000 0.520 85 E N 1.558 121.920 120.200 0.271 0.000 2.072 85 E HA -0.165 4.186 4.350 0.001 0.000 0.191 85 E C 1.728 178.409 176.600 0.134 0.000 0.985 85 E CA 1.413 57.923 56.400 0.184 0.000 0.801 85 E CB -0.336 29.436 29.700 0.119 0.000 0.750 85 E HN 0.471 nan 8.360 nan 0.000 0.452 86 D N -0.036 120.392 120.400 0.047 0.000 2.097 86 D HA -0.135 4.505 4.640 0.001 0.000 0.195 86 D C 1.818 178.093 176.300 -0.040 0.000 0.989 86 D CA 1.355 55.322 54.000 -0.055 0.000 0.827 86 D CB -0.387 40.296 40.800 -0.195 0.000 0.966 86 D HN 0.582 nan 8.370 nan 0.000 0.456 87 H N 0.428 119.532 119.070 0.057 0.000 2.423 87 H HA -0.022 4.535 4.556 0.001 0.000 0.297 87 H C 2.349 177.948 175.328 0.453 0.000 1.075 87 H CA 1.642 57.784 56.048 0.156 0.000 1.342 87 H CB 0.037 29.593 29.762 -0.344 0.000 1.395 87 H HN 0.205 nan 8.280 nan 0.000 0.530 88 K N 1.273 121.992 120.400 0.533 0.000 2.057 88 K HA -0.135 4.186 4.320 0.001 0.000 0.207 88 K C 2.228 179.019 176.600 0.318 0.000 1.049 88 K CA 1.770 58.307 56.287 0.416 0.000 0.931 88 K CB -1.231 31.434 32.500 0.275 0.000 0.714 88 K HN 0.609 nan 8.250 nan 0.000 0.440 89 E N 0.196 120.545 120.200 0.248 0.000 2.106 89 E HA -0.053 4.298 4.350 0.001 0.000 0.192 89 E C 2.030 178.768 176.600 0.229 0.000 0.984 89 E CA 1.813 58.326 56.400 0.188 0.000 0.806 89 E CB -0.526 29.246 29.700 0.119 0.000 0.750 89 E HN 0.621 nan 8.360 nan 0.000 0.458 90 M N -0.728 119.050 119.600 0.296 0.000 2.117 90 M HA 0.106 4.586 4.480 0.001 0.000 0.262 90 M C 2.011 178.587 176.300 0.459 0.000 1.065 90 M CA 1.497 57.000 55.300 0.338 0.000 1.114 90 M CB -0.484 32.355 32.600 0.399 0.000 1.361 90 M HN 0.385 nan 8.290 nan 0.000 0.408 91 F N 0.325 120.551 119.950 0.460 0.000 2.216 91 F HA -0.229 4.299 4.527 0.001 0.000 0.300 91 F C 1.766 177.687 175.800 0.202 0.000 1.085 91 F CA 1.433 59.654 58.000 0.369 0.000 1.326 91 F CB -0.212 38.875 39.000 0.145 0.000 1.027 91 F HN 0.284 nan 8.300 nan 0.000 0.497 92 N N 0.155 119.081 118.700 0.377 0.000 2.250 92 N HA -0.123 4.618 4.740 0.001 0.000 0.181 92 N C 1.352 176.955 175.510 0.154 0.000 1.017 92 N CA 0.892 54.083 53.050 0.235 0.000 0.866 92 N CB -0.637 37.953 38.487 0.173 0.000 0.985 92 N HN 0.242 nan 8.380 nan 0.000 0.429 93 N N 0.642 119.429 118.700 0.145 0.000 2.244 93 N HA -0.090 4.650 4.740 0.001 0.000 0.183 93 N C 1.769 177.317 175.510 0.064 0.000 1.016 93 N CA 0.353 53.458 53.050 0.092 0.000 0.866 93 N CB -0.375 38.162 38.487 0.083 0.000 0.980 93 N HN 0.080 nan 8.380 nan 0.000 0.430 94 V N 0.186 120.138 119.914 0.063 0.000 2.591 94 V HA -0.049 4.071 4.120 0.001 0.000 0.249 94 V C 1.866 177.968 176.094 0.013 0.000 1.053 94 V CA 0.920 63.228 62.300 0.013 0.000 1.068 94 V CB -0.238 31.567 31.823 -0.030 0.000 0.689 94 V HN 0.058 nan 8.190 nan 0.000 0.462 95 L N 0.349 121.598 121.223 0.045 0.000 2.083 95 L HA -0.101 4.240 4.340 0.001 0.000 0.209 95 L C 2.535 179.436 176.870 0.051 0.000 1.083 95 L CA 1.939 56.816 54.840 0.061 0.000 0.752 95 L CB -0.824 41.308 42.059 0.122 0.000 0.899 95 L HN 0.302 nan 8.230 nan 0.000 0.433 96 K N -1.072 119.360 120.400 0.054 0.000 2.057 96 K HA -0.071 4.249 4.320 0.001 0.000 0.206 96 K C 2.111 178.728 176.600 0.029 0.000 1.050 96 K CA 1.187 57.499 56.287 0.042 0.000 0.935 96 K CB -0.272 32.255 32.500 0.044 0.000 0.715 96 K HN 0.312 nan 8.250 nan 0.000 0.439 97 A N 1.466 124.301 122.820 0.025 0.000 1.908 97 A HA -0.269 4.051 4.320 0.001 0.000 0.218 97 A C 2.158 179.749 177.584 0.012 0.000 1.181 97 A CA 1.694 53.740 52.037 0.015 0.000 0.627 97 A CB -0.558 18.447 19.000 0.008 0.000 0.818 97 A HN 0.280 nan 8.150 nan 0.000 0.445 98 Q N -0.187 119.620 119.800 0.013 0.000 2.135 98 Q HA -0.211 4.129 4.340 0.001 0.000 0.204 98 Q C 1.847 177.856 176.000 0.015 0.000 0.981 98 Q CA 2.133 57.943 55.803 0.012 0.000 0.856 98 Q CB -0.227 28.520 28.738 0.014 0.000 0.902 98 Q HN 0.790 nan 8.270 nan 0.000 0.425 99 E N -0.555 119.656 120.200 0.019 0.000 2.204 99 E HA -0.127 4.224 4.350 0.001 0.000 0.194 99 E C 1.716 178.325 176.600 0.015 0.000 0.989 99 E CA 0.803 57.214 56.400 0.019 0.000 0.824 99 E CB 0.025 29.739 29.700 0.022 0.000 0.756 99 E HN 0.391 nan 8.360 nan 0.000 0.477 100 L N 0.166 121.398 121.223 0.015 0.000 2.418 100 L HA 0.010 4.350 4.340 0.001 0.000 0.218 100 L C 0.912 177.788 176.870 0.010 0.000 1.125 100 L CA 0.429 55.277 54.840 0.012 0.000 0.835 100 L CB 0.286 42.353 42.059 0.013 0.000 0.953 100 L HN -0.111 nan 8.230 nan 0.000 0.454 101 R N 0.053 120.558 120.500 0.009 0.000 2.651 101 R HA 0.220 4.561 4.340 0.001 0.000 0.282 101 R C -1.909 174.395 176.300 0.007 0.000 1.565 101 R CA -1.544 54.560 56.100 0.007 0.000 1.661 101 R CB 0.377 30.680 30.300 0.005 0.000 1.189 101 R HN -0.032 nan 8.270 nan 0.000 0.621 102 P HA -0.070 nan 4.420 nan 0.000 0.226 102 P C 0.306 177.610 177.300 0.007 0.000 1.153 102 P CA 0.742 63.847 63.100 0.009 0.000 0.777 102 P CB 0.436 32.141 31.700 0.009 0.000 0.794 103 N N -0.965 117.738 118.700 0.006 0.000 2.571 103 N HA -0.028 4.713 4.740 0.001 0.000 0.189 103 N C 0.177 175.689 175.510 0.003 0.000 1.154 103 N CA 0.300 53.353 53.050 0.005 0.000 0.907 103 N CB -0.610 37.880 38.487 0.005 0.000 0.977 103 N HN 0.190 nan 8.380 nan 0.000 0.449 104 C N 0.844 120.145 119.300 0.001 0.000 2.322 104 C HA 0.577 5.037 4.460 0.001 0.000 0.324 104 C C -0.926 174.062 174.990 -0.003 0.000 1.249 104 C CA -1.031 57.984 59.018 -0.005 0.000 1.453 104 C CB -0.897 26.839 27.740 -0.006 0.000 2.145 104 C HN 0.175 nan 8.230 nan 0.000 0.466 105 L N 7.357 128.577 121.223 -0.005 0.000 2.324 105 L HA 0.490 4.830 4.340 0.001 0.000 0.274 105 L C -0.287 176.585 176.870 0.004 0.000 1.012 105 L CA -0.117 54.725 54.840 0.003 0.000 0.859 105 L CB 1.008 43.073 42.059 0.009 0.000 1.224 105 L HN 0.545 nan 8.230 nan 0.000 0.429 106 L N 2.599 123.826 121.223 0.008 0.000 2.326 106 L HA 0.536 4.876 4.340 0.001 0.000 0.278 106 L C 0.992 177.897 176.870 0.059 0.000 1.092 106 L CA -0.365 54.485 54.840 0.016 0.000 0.810 106 L CB 1.176 43.234 42.059 -0.002 0.000 1.153 106 L HN 0.601 nan 8.230 nan 0.000 0.439 107 G N 3.966 112.839 108.800 0.122 0.000 2.444 107 G HA2 0.492 4.453 3.960 0.001 0.000 0.268 107 G HA3 0.492 4.453 3.960 0.001 0.000 0.268 107 G C -0.310 174.751 174.900 0.268 0.000 1.203 107 G CA -0.640 44.615 45.100 0.257 0.000 0.835 107 G HN 0.340 nan 8.290 nan 0.000 0.543 108 M N 2.081 121.850 119.600 0.283 0.000 2.181 108 M HA 0.388 4.868 4.480 0.001 0.000 0.323 108 M C -0.770 175.804 176.300 0.457 0.000 1.004 108 M CA -0.788 54.712 55.300 0.332 0.000 0.941 108 M CB 1.231 33.981 32.600 0.250 0.000 1.579 108 M HN 0.379 nan 8.290 nan 0.000 0.427 109 L N 4.405 125.927 121.223 0.497 0.000 2.341 109 L HA 0.685 5.025 4.340 0.001 0.000 0.278 109 L C -1.542 175.581 176.870 0.421 0.000 1.005 109 L CA -0.711 54.400 54.840 0.450 0.000 0.818 109 L CB 1.822 44.068 42.059 0.312 0.000 1.259 109 L HN 0.769 nan 8.230 nan 0.000 0.418 110 L N 4.169 125.568 121.223 0.294 0.000 2.307 110 L HA 0.482 4.823 4.340 0.001 0.000 0.284 110 L C -1.051 175.899 176.870 0.133 0.000 1.023 110 L CA -0.323 54.635 54.840 0.196 0.000 0.810 110 L CB 1.587 43.642 42.059 -0.006 0.000 1.231 110 L HN 0.640 nan 8.230 nan 0.000 0.423 111 D N 2.498 122.988 120.400 0.150 0.000 2.329 111 D HA 0.276 4.917 4.640 0.001 0.000 0.232 111 D C -0.258 176.091 176.300 0.081 0.000 1.088 111 D CA -0.226 53.839 54.000 0.108 0.000 0.835 111 D CB 1.175 42.040 40.800 0.110 0.000 1.078 111 D HN 0.600 nan 8.370 nan 0.000 0.495 112 T N 0.654 115.238 114.554 0.050 0.000 2.899 112 T HA 0.143 4.493 4.350 0.001 0.000 0.295 112 T C 1.186 175.922 174.700 0.060 0.000 1.033 112 T CA -0.562 61.560 62.100 0.037 0.000 1.084 112 T CB 1.788 70.670 68.868 0.023 0.000 0.979 112 T HN 0.370 nan 8.240 nan 0.000 0.532 113 K N 1.971 122.407 120.400 0.061 0.000 2.001 113 K HA 0.207 4.528 4.320 0.001 0.000 0.208 113 K C 1.272 177.894 176.600 0.037 0.000 1.048 113 K CA 1.211 57.532 56.287 0.056 0.000 0.932 113 K CB -1.038 31.498 32.500 0.060 0.000 0.715 113 K HN 1.148 nan 8.250 nan 0.000 0.437 114 G N 0.566 109.385 108.800 0.031 0.000 2.750 114 G HA2 -0.216 3.745 3.960 0.001 0.000 0.228 114 G HA3 -0.216 3.745 3.960 0.001 0.000 0.228 114 G C -2.581 172.304 174.900 -0.026 0.000 1.367 114 G CA -0.444 44.671 45.100 0.024 0.000 0.871 114 G HN 0.261 nan 8.290 nan 0.000 0.560 115 P HA 0.417 nan 4.420 nan 0.000 0.271 115 P C -0.280 176.858 177.300 -0.270 0.000 1.216 115 P CA 0.306 63.312 63.100 -0.157 0.000 0.776 115 P CB 0.846 32.436 31.700 -0.184 0.000 0.881 116 E N 1.387 121.450 120.200 -0.229 0.000 2.340 116 E HA 0.562 4.912 4.350 0.001 0.000 0.273 116 E C -0.781 175.685 176.600 -0.225 0.000 0.891 116 E CA -0.707 55.552 56.400 -0.234 0.000 0.757 116 E CB 2.010 31.630 29.700 -0.133 0.000 1.231 116 E HN 0.323 nan 8.360 nan 0.000 0.439 117 I N 2.260 122.697 120.570 -0.222 0.000 2.466 117 I HA 0.451 4.621 4.170 0.001 0.000 0.289 117 I C -0.379 175.684 176.117 -0.091 0.000 1.026 117 I CA -0.539 60.666 61.300 -0.158 0.000 1.078 117 I CB 1.528 39.420 38.000 -0.181 0.000 1.249 117 I HN 0.242 nan 8.210 nan 0.000 0.429 118 R N 2.706 123.169 120.500 -0.061 0.000 2.795 118 R HA 0.564 4.905 4.340 0.001 0.000 0.275 118 R C -0.413 175.953 176.300 0.110 0.000 0.981 118 R CA -0.850 55.253 56.100 0.006 0.000 0.917 118 R CB 2.441 32.749 30.300 0.012 0.000 1.202 118 R HN 0.683 nan 8.270 nan 0.000 0.469 119 T N -1.133 113.480 114.554 0.100 0.000 2.766 119 T HA 0.353 4.704 4.350 0.001 0.000 0.295 119 T C 0.862 175.651 174.700 0.149 0.000 1.024 119 T CA -0.523 61.656 62.100 0.132 0.000 1.018 119 T CB 1.067 69.962 68.868 0.046 0.000 1.002 119 T HN 0.621 nan 8.240 nan 0.000 0.532 120 G N -0.445 108.389 108.800 0.057 0.000 2.510 120 G HA2 0.550 4.510 3.960 0.001 0.000 0.280 120 G HA3 0.550 4.510 3.960 0.001 0.000 0.280 120 G C -0.790 173.913 174.900 -0.329 0.000 1.386 120 G CA -1.155 43.788 45.100 -0.261 0.000 1.047 120 G HN 0.608 nan 8.290 nan 0.000 0.527 121 F N -0.822 118.990 119.950 -0.229 0.000 2.382 121 F HA 0.539 5.067 4.527 0.001 0.000 0.331 121 F C 0.589 176.303 175.800 -0.144 0.000 1.121 121 F CA -0.213 57.692 58.000 -0.159 0.000 1.183 121 F CB 1.204 40.099 39.000 -0.176 0.000 1.207 121 F HN -0.033 nan 8.300 nan 0.000 0.555 122 L N 1.820 123.083 121.223 0.068 0.000 2.342 122 L HA 0.473 4.813 4.340 0.001 0.000 0.271 122 L C 1.156 178.013 176.870 -0.022 0.000 1.008 122 L CA -0.844 53.991 54.840 -0.008 0.000 0.818 122 L CB 1.554 43.609 42.059 -0.007 0.000 1.296 122 L HN 0.759 nan 8.230 nan 0.000 0.427 123 K N 1.064 121.425 120.400 -0.066 0.000 2.113 123 K HA -0.116 4.204 4.320 0.001 0.000 0.208 123 K C 0.995 177.572 176.600 -0.039 0.000 1.047 123 K CA 1.921 58.165 56.287 -0.071 0.000 0.928 123 K CB -0.526 31.925 32.500 -0.081 0.000 0.716 123 K HN 0.730 nan 8.250 nan 0.000 0.446 124 N N -0.523 118.163 118.700 -0.023 0.000 2.282 124 N HA 0.126 4.866 4.740 0.001 0.000 0.240 124 N C -0.512 174.996 175.510 -0.003 0.000 1.182 124 N CA 0.227 53.269 53.050 -0.013 0.000 0.874 124 N CB 1.072 39.552 38.487 -0.012 0.000 1.126 124 N HN 0.455 nan 8.380 nan 0.000 0.516 125 K N 0.015 120.418 120.400 0.005 0.000 3.577 125 K HA -0.221 4.099 4.320 0.001 0.000 0.300 125 K C -0.391 176.211 176.600 0.004 0.000 1.235 125 K CA 1.428 57.724 56.287 0.016 0.000 1.028 125 K CB -0.554 31.958 32.500 0.020 0.000 1.306 125 K HN 0.382 nan 8.250 nan 0.000 0.432 126 E N -0.115 120.085 120.200 -0.000 0.000 2.321 126 E HA 0.390 4.740 4.350 0.001 0.000 0.278 126 E C -1.229 175.371 176.600 0.000 0.000 0.902 126 E CA -0.621 55.778 56.400 -0.001 0.000 0.758 126 E CB 2.677 32.376 29.700 -0.001 0.000 1.213 126 E HN 0.100 nan 8.360 nan 0.000 0.426 127 V N -2.342 117.573 119.914 0.003 0.000 2.962 127 V HA 0.814 4.934 4.120 0.001 0.000 0.313 127 V C -0.391 175.709 176.094 0.009 0.000 1.099 127 V CA -0.744 61.560 62.300 0.007 0.000 0.971 127 V CB 1.238 33.068 31.823 0.013 0.000 1.028 127 V HN 0.865 nan 8.190 nan 0.000 0.430 128 H N 3.194 122.270 119.070 0.011 0.000 2.690 128 H HA 0.786 5.342 4.556 0.001 0.000 0.280 128 H C -0.414 174.923 175.328 0.015 0.000 1.138 128 H CA -0.650 55.404 56.048 0.011 0.000 1.241 128 H CB 0.573 30.340 29.762 0.009 0.000 1.394 128 H HN 0.863 nan 8.280 nan 0.000 0.489 129 L N 2.104 123.337 121.223 0.017 0.000 2.380 129 L HA 0.563 4.904 4.340 0.001 0.000 0.273 129 L C 0.840 177.721 176.870 0.018 0.000 1.138 129 L CA -0.239 54.613 54.840 0.020 0.000 0.832 129 L CB 0.820 42.893 42.059 0.023 0.000 1.124 129 L HN 0.836 nan 8.230 nan 0.000 0.454 130 K N 1.876 122.287 120.400 0.019 0.000 2.267 130 K HA 0.335 4.655 4.320 0.001 0.000 0.246 130 K C 0.604 177.214 176.600 0.017 0.000 0.954 130 K CA -0.589 55.708 56.287 0.016 0.000 0.824 130 K CB 1.197 33.706 32.500 0.015 0.000 1.167 130 K HN 0.735 nan 8.250 nan 0.000 0.431 131 E N 0.690 120.899 120.200 0.015 0.000 2.048 131 E HA -0.207 4.143 4.350 0.001 0.000 0.202 131 E C 2.111 178.721 176.600 0.017 0.000 1.021 131 E CA 2.133 58.542 56.400 0.015 0.000 0.825 131 E CB -0.119 29.589 29.700 0.013 0.000 0.756 131 E HN 0.882 nan 8.360 nan 0.000 0.454 132 G N 0.671 109.480 108.800 0.016 0.000 2.432 132 G HA2 -0.174 3.786 3.960 0.001 0.000 0.219 132 G HA3 -0.174 3.786 3.960 0.001 0.000 0.219 132 G C 0.939 175.850 174.900 0.020 0.000 1.135 132 G CA 0.760 45.870 45.100 0.016 0.000 0.767 132 G HN 0.418 nan 8.290 nan 0.000 0.550 133 S N -0.063 115.649 115.700 0.021 0.000 2.558 133 S HA 0.428 4.898 4.470 0.001 0.000 0.288 133 S C 0.222 174.839 174.600 0.029 0.000 1.318 133 S CA 0.292 58.507 58.200 0.024 0.000 1.056 133 S CB 0.218 63.433 63.200 0.025 0.000 0.853 133 S HN 0.328 nan 8.310 nan 0.000 0.505 134 K N 1.044 121.463 120.400 0.032 0.000 2.213 134 K HA 0.564 4.885 4.320 0.001 0.000 0.270 134 K C -0.925 175.702 176.600 0.045 0.000 1.002 134 K CA -0.447 55.864 56.287 0.039 0.000 0.868 134 K CB 1.404 33.928 32.500 0.040 0.000 1.093 134 K HN 0.527 nan 8.250 nan 0.000 0.454 135 L N 2.775 124.029 121.223 0.051 0.000 2.322 135 L HA 0.389 4.729 4.340 0.001 0.000 0.281 135 L C -0.841 176.073 176.870 0.073 0.000 1.014 135 L CA -0.256 54.620 54.840 0.059 0.000 0.815 135 L CB 1.205 43.299 42.059 0.058 0.000 1.247 135 L HN 0.446 nan 8.230 nan 0.000 0.421 136 K N 5.397 125.841 120.400 0.073 0.000 2.183 136 K HA 0.519 4.839 4.320 0.001 0.000 0.274 136 K C -1.564 175.089 176.600 0.089 0.000 1.009 136 K CA -0.541 55.798 56.287 0.086 0.000 0.888 136 K CB 0.787 33.305 32.500 0.031 0.000 1.078 136 K HN 0.728 nan 8.250 nan 0.000 0.459 137 L N 5.655 126.946 121.223 0.114 0.000 2.294 137 L HA 0.336 4.676 4.340 0.001 0.000 0.283 137 L C -0.208 176.735 176.870 0.121 0.000 1.015 137 L CA -1.072 53.836 54.840 0.114 0.000 0.831 137 L CB 1.545 43.669 42.059 0.109 0.000 1.217 137 L HN 0.416 nan 8.230 nan 0.000 0.420 138 V N -0.549 119.419 119.914 0.091 0.000 2.834 138 V HA 0.498 4.619 4.120 0.001 0.000 0.313 138 V C 0.965 177.124 176.094 0.109 0.000 1.060 138 V CA -0.076 62.263 62.300 0.064 0.000 0.989 138 V CB 1.451 33.209 31.823 -0.108 0.000 1.041 138 V HN 0.823 nan 8.190 nan 0.000 0.459 139 T N -2.323 112.284 114.554 0.089 0.000 3.107 139 T HA 0.077 4.428 4.350 0.001 0.000 0.249 139 T C 0.495 175.272 174.700 0.129 0.000 1.096 139 T CA 0.559 62.715 62.100 0.093 0.000 1.012 139 T CB -0.408 68.481 68.868 0.035 0.000 0.977 139 T HN 0.780 nan 8.240 nan 0.000 0.527 140 D N 1.058 121.535 120.400 0.128 0.000 2.435 140 D HA 0.061 4.701 4.640 0.001 0.000 0.230 140 D C 0.180 176.638 176.300 0.264 0.000 1.215 140 D CA -0.856 53.240 54.000 0.160 0.000 0.947 140 D CB -0.083 40.780 40.800 0.104 0.000 1.048 140 D HN 0.233 nan 8.370 nan 0.000 0.512 141 Y N 2.434 122.811 120.300 0.128 0.000 2.680 141 Y HA -0.039 4.512 4.550 0.001 0.000 0.303 141 Y C 1.225 177.238 175.900 0.189 0.000 1.166 141 Y CA 0.887 59.081 58.100 0.157 0.000 1.344 141 Y CB 0.313 38.850 38.460 0.129 0.000 1.002 141 Y HN 0.380 nan 8.280 nan 0.000 0.537 142 E N -1.016 119.281 120.200 0.162 0.000 2.479 142 E HA 0.028 4.379 4.350 0.001 0.000 0.193 142 E C -0.446 176.204 176.600 0.084 0.000 1.049 142 E CA -0.126 56.319 56.400 0.076 0.000 0.870 142 E CB -0.200 29.548 29.700 0.080 0.000 0.944 142 E HN 0.260 nan 8.360 nan 0.000 0.492 143 F N 1.412 121.360 119.950 -0.004 0.000 2.472 143 F HA 0.160 4.687 4.527 0.001 0.000 0.364 143 F C 0.011 175.808 175.800 -0.006 0.000 1.090 143 F CA -0.619 57.379 58.000 -0.003 0.000 1.188 143 F CB 0.421 39.429 39.000 0.014 0.000 1.105 143 F HN -0.135 nan 8.300 nan 0.000 0.536 144 L N 7.581 128.393 121.223 -0.685 0.000 2.485 144 L HA 0.240 4.581 4.340 0.001 0.000 0.279 144 L C 0.778 177.089 176.870 -0.932 0.000 1.124 144 L CA -0.005 54.484 54.840 -0.586 0.000 0.888 144 L CB -0.655 41.170 42.059 -0.389 0.000 1.217 144 L HN 0.862 nan 8.230 nan 0.000 0.464 145 G N 3.267 111.774 108.800 -0.490 0.000 2.562 145 G HA2 0.387 4.347 3.960 0.001 0.000 0.275 145 G HA3 0.387 4.347 3.960 0.001 0.000 0.275 145 G C -0.733 174.101 174.900 -0.110 0.000 1.196 145 G CA -0.345 44.613 45.100 -0.237 0.000 0.908 145 G HN 0.784 nan 8.290 nan 0.000 0.524 146 D N -2.918 117.497 120.400 0.025 0.000 2.837 146 D HA 0.241 4.881 4.640 0.001 0.000 0.294 146 D C 1.221 177.555 176.300 0.056 0.000 1.158 146 D CA -0.377 53.638 54.000 0.026 0.000 1.073 146 D CB 0.478 41.293 40.800 0.024 0.000 1.419 146 D HN 0.354 nan 8.370 nan 0.000 0.584 147 E N -0.383 119.842 120.200 0.042 0.000 2.265 147 E HA -0.188 4.163 4.350 0.001 0.000 0.196 147 E C 1.300 177.931 176.600 0.053 0.000 0.996 147 E CA 2.008 58.432 56.400 0.041 0.000 0.832 147 E CB -0.766 28.951 29.700 0.029 0.000 0.756 147 E HN 0.622 nan 8.360 nan 0.000 0.491 148 T N -2.954 111.640 114.554 0.066 0.000 2.990 148 T HA 0.221 4.571 4.350 0.001 0.000 0.250 148 T C 0.714 175.464 174.700 0.084 0.000 1.041 148 T CA 0.030 62.169 62.100 0.065 0.000 1.010 148 T CB 0.095 68.996 68.868 0.054 0.000 1.003 148 T HN 0.182 nan 8.240 nan 0.000 0.499 149 C N 0.978 120.358 119.300 0.134 0.000 2.607 149 C HA 0.780 5.241 4.460 0.001 0.000 0.350 149 C C -1.493 173.673 174.990 0.293 0.000 1.101 149 C CA -1.117 58.011 59.018 0.182 0.000 1.282 149 C CB -0.114 27.735 27.740 0.181 0.000 1.825 149 C HN 0.614 nan 8.230 nan 0.000 0.460 150 I N 4.802 125.507 120.570 0.224 0.000 2.619 150 I HA 0.601 4.771 4.170 0.001 0.000 0.292 150 I C 0.476 176.733 176.117 0.233 0.000 1.100 150 I CA -0.343 61.093 61.300 0.227 0.000 1.043 150 I CB 2.000 40.079 38.000 0.132 0.000 1.239 150 I HN 0.769 nan 8.210 nan 0.000 0.420 151 A N 4.005 126.992 122.820 0.278 0.000 2.351 151 A HA 0.556 4.877 4.320 0.001 0.000 0.257 151 A C -0.586 177.176 177.584 0.297 0.000 1.087 151 A CA -0.255 51.952 52.037 0.284 0.000 0.798 151 A CB 0.879 20.062 19.000 0.305 0.000 1.033 151 A HN 0.839 nan 8.150 nan 0.000 0.488 152 C N 1.376 120.862 119.300 0.310 0.000 2.498 152 C HA 0.583 5.043 4.460 0.001 0.000 0.316 152 C C 1.722 176.813 174.990 0.169 0.000 1.209 152 C CA 0.111 59.278 59.018 0.248 0.000 1.518 152 C CB 0.879 28.716 27.740 0.162 0.000 2.147 152 C HN 1.177 nan 8.230 nan 0.000 0.483 153 S N 3.198 118.856 115.700 -0.069 0.000 2.453 153 S HA -0.093 4.378 4.470 0.001 0.000 0.231 153 S C 0.429 174.963 174.600 -0.108 0.000 1.005 153 S CA 0.624 58.551 58.200 -0.455 0.000 0.949 153 S CB -0.380 62.385 63.200 -0.725 0.000 0.774 153 S HN 0.894 nan 8.310 nan 0.000 0.510 154 Y N 3.393 123.621 120.300 -0.121 0.000 2.613 154 Y HA 0.438 4.988 4.550 0.001 0.000 0.354 154 Y C 1.207 177.089 175.900 -0.030 0.000 1.063 154 Y CA -1.637 56.420 58.100 -0.071 0.000 1.384 154 Y CB 0.191 38.621 38.460 -0.050 0.000 1.199 154 Y HN 0.121 nan 8.280 nan 0.000 0.517 155 K N 3.181 123.474 120.400 -0.178 0.000 2.152 155 K HA -0.157 4.163 4.320 0.001 0.000 0.206 155 K C 1.319 177.711 176.600 -0.346 0.000 1.048 155 K CA 1.553 57.725 56.287 -0.191 0.000 0.933 155 K CB 0.162 32.598 32.500 -0.105 0.000 0.721 155 K HN 0.537 nan 8.250 nan 0.000 0.447 156 K N 0.657 120.627 120.400 -0.717 0.000 2.522 156 K HA -0.038 4.283 4.320 0.001 0.000 0.194 156 K C 1.454 177.676 176.600 -0.630 0.000 1.026 156 K CA -0.118 55.767 56.287 -0.670 0.000 1.119 156 K CB 0.086 32.211 32.500 -0.625 0.000 0.856 156 K HN 0.095 nan 8.250 nan 0.000 0.513 157 L N 2.123 123.018 121.223 -0.546 0.000 1.990 157 L HA -0.158 4.182 4.340 0.001 0.000 0.213 157 L C -1.229 175.607 176.870 -0.058 0.000 1.072 157 L CA 2.115 56.874 54.840 -0.134 0.000 0.755 157 L CB -0.884 41.190 42.059 0.026 0.000 0.889 157 L HN 0.061 nan 8.230 nan 0.000 0.432 158 P HA -0.169 nan 4.420 nan 0.000 0.218 158 P C 1.031 178.293 177.300 -0.064 0.000 1.149 158 P CA 1.354 64.414 63.100 -0.066 0.000 0.817 158 P CB -0.253 31.402 31.700 -0.075 0.000 0.785 159 Q N -1.484 118.272 119.800 -0.073 0.000 2.425 159 Q HA 0.166 4.506 4.340 0.001 0.000 0.204 159 Q C 1.218 177.208 176.000 -0.017 0.000 0.933 159 Q CA 0.907 56.680 55.803 -0.051 0.000 0.939 159 Q CB -0.592 28.113 28.738 -0.056 0.000 1.044 159 Q HN 0.151 nan 8.270 nan 0.000 0.513 160 S N 0.079 115.782 115.700 0.005 0.000 2.540 160 S HA 0.251 4.722 4.470 0.001 0.000 0.218 160 S C 0.256 174.903 174.600 0.078 0.000 0.977 160 S CA -0.271 57.980 58.200 0.084 0.000 0.918 160 S CB 0.772 64.111 63.200 0.231 0.000 0.806 160 S HN 0.075 nan 8.310 nan 0.000 0.496 161 V N 1.493 121.431 119.914 0.039 0.000 2.789 161 V HA 0.773 4.894 4.120 0.001 0.000 0.311 161 V C -0.238 175.853 176.094 -0.004 0.000 1.073 161 V CA -0.629 61.689 62.300 0.030 0.000 0.921 161 V CB 1.875 33.723 31.823 0.042 0.000 1.009 161 V HN 0.207 nan 8.190 nan 0.000 0.426 162 K N 4.422 124.819 120.400 -0.005 0.000 2.395 162 K HA 0.891 5.211 4.320 0.001 0.000 0.247 162 K C -3.091 173.496 176.600 -0.022 0.000 0.973 162 K CA -2.083 54.191 56.287 -0.023 0.000 0.828 162 K CB 1.447 33.937 32.500 -0.016 0.000 1.272 162 K HN 0.501 nan 8.250 nan 0.000 0.439 163 P HA 0.138 nan 4.420 nan 0.000 0.258 163 P C 0.942 178.234 177.300 -0.013 0.000 1.172 163 P CA 2.173 65.257 63.100 -0.027 0.000 0.762 163 P CB 0.564 32.243 31.700 -0.035 0.000 0.764 164 G N 2.513 111.310 108.800 -0.005 0.000 2.352 164 G HA2 -0.198 3.762 3.960 0.001 0.000 0.204 164 G HA3 -0.198 3.762 3.960 0.001 0.000 0.204 164 G C 0.342 175.245 174.900 0.005 0.000 1.004 164 G CA -0.457 44.643 45.100 -0.000 0.000 0.648 164 G HN 0.549 nan 8.290 nan 0.000 0.491 165 N N 0.069 118.773 118.700 0.007 0.000 2.415 165 N HA 0.465 5.206 4.740 0.001 0.000 0.248 165 N C -0.004 175.517 175.510 0.018 0.000 1.271 165 N CA 0.650 53.709 53.050 0.015 0.000 0.913 165 N CB 0.773 39.272 38.487 0.021 0.000 1.129 165 N HN 0.224 nan 8.380 nan 0.000 0.444 166 I N 1.584 122.167 120.570 0.022 0.000 2.493 166 I HA 0.418 4.589 4.170 0.001 0.000 0.298 166 I C 0.098 176.234 176.117 0.032 0.000 0.998 166 I CA -0.653 60.661 61.300 0.024 0.000 1.137 166 I CB 0.913 38.925 38.000 0.020 0.000 1.310 166 I HN 0.403 nan 8.210 nan 0.000 0.445 167 I N 5.209 125.800 120.570 0.034 0.000 2.382 167 I HA 0.444 4.615 4.170 0.001 0.000 0.286 167 I C -0.594 175.544 176.117 0.035 0.000 1.002 167 I CA -0.369 60.955 61.300 0.040 0.000 1.135 167 I CB 1.464 39.493 38.000 0.049 0.000 1.288 167 I HN 0.383 nan 8.210 nan 0.000 0.448 168 L N 7.248 128.490 121.223 0.032 0.000 2.289 168 L HA 0.573 4.914 4.340 0.001 0.000 0.285 168 L C -0.411 176.474 176.870 0.025 0.000 1.049 168 L CA -0.421 54.435 54.840 0.027 0.000 0.804 168 L CB 1.254 43.328 42.059 0.026 0.000 1.195 168 L HN 0.456 nan 8.230 nan 0.000 0.428 169 I N 2.889 123.473 120.570 0.024 0.000 2.530 169 I HA 0.514 4.684 4.170 0.001 0.000 0.297 169 I C 0.405 176.530 176.117 0.014 0.000 1.011 169 I CA -0.817 60.495 61.300 0.021 0.000 1.107 169 I CB 1.893 39.909 38.000 0.027 0.000 1.285 169 I HN 0.795 nan 8.210 nan 0.000 0.436 170 A N 4.403 127.228 122.820 0.008 0.000 2.360 170 A HA -0.175 4.145 4.320 0.001 0.000 0.289 170 A C 0.375 177.963 177.584 0.006 0.000 1.437 170 A CA 0.585 52.624 52.037 0.003 0.000 0.734 170 A CB -1.592 17.410 19.000 0.002 0.000 1.145 170 A HN 0.944 nan 8.150 nan 0.000 0.374 171 D N -1.796 118.608 120.400 0.007 0.000 2.811 171 D HA -0.144 4.496 4.640 0.001 0.000 0.231 171 D C 1.522 177.831 176.300 0.015 0.000 1.157 171 D CA 2.954 56.961 54.000 0.011 0.000 0.716 171 D CB -1.516 39.290 40.800 0.011 0.000 1.077 171 D HN 2.479 nan 8.370 nan 0.000 0.428 172 G N -1.427 107.382 108.800 0.016 0.000 2.143 172 G HA2 -0.385 3.576 3.960 0.001 0.000 0.248 172 G HA3 -0.385 3.576 3.960 0.001 0.000 0.248 172 G C 1.280 176.189 174.900 0.016 0.000 0.991 172 G CA 0.822 45.933 45.100 0.018 0.000 0.689 172 G HN 0.480 nan 8.290 nan 0.000 0.522 173 S N -1.445 114.263 115.700 0.014 0.000 2.368 173 S HA 0.167 4.638 4.470 0.001 0.000 0.224 173 S C 1.140 175.748 174.600 0.014 0.000 1.029 173 S CA 1.272 59.480 58.200 0.012 0.000 0.988 173 S CB 0.311 63.517 63.200 0.010 0.000 0.838 173 S HN 0.696 nan 8.310 nan 0.000 0.462 174 V N 1.964 121.888 119.914 0.016 0.000 2.459 174 V HA 0.483 4.603 4.120 0.001 0.000 0.295 174 V C -0.382 175.725 176.094 0.021 0.000 1.029 174 V CA -0.627 61.684 62.300 0.018 0.000 0.874 174 V CB 1.771 33.606 31.823 0.020 0.000 0.985 174 V HN 0.128 nan 8.190 nan 0.000 0.438 175 S N 2.586 118.298 115.700 0.021 0.000 2.509 175 S HA 0.639 5.109 4.470 0.001 0.000 0.297 175 S C -0.593 174.021 174.600 0.024 0.000 1.118 175 S CA -0.498 57.715 58.200 0.022 0.000 1.074 175 S CB 1.435 64.646 63.200 0.019 0.000 1.038 175 S HN 0.794 nan 8.310 nan 0.000 0.498 176 C N 2.472 121.788 119.300 0.027 0.000 2.482 176 C HA 0.542 5.002 4.460 0.001 0.000 0.317 176 C C 0.074 175.081 174.990 0.027 0.000 1.197 176 C CA -1.007 58.028 59.018 0.030 0.000 1.432 176 C CB 1.007 28.770 27.740 0.037 0.000 2.062 176 C HN 0.886 nan 8.230 nan 0.000 0.471 177 K N 2.458 122.873 120.400 0.024 0.000 2.211 177 K HA 0.570 4.890 4.320 0.001 0.000 0.275 177 K C -0.553 176.059 176.600 0.020 0.000 1.024 177 K CA -0.297 56.002 56.287 0.020 0.000 0.887 177 K CB 0.898 33.408 32.500 0.016 0.000 1.084 177 K HN 0.580 nan 8.250 nan 0.000 0.463 178 V N 6.858 126.782 119.914 0.016 0.000 2.521 178 V HA 0.002 4.122 4.120 0.001 0.000 0.286 178 V C 1.159 177.254 176.094 0.002 0.000 1.034 178 V CA 0.222 62.528 62.300 0.010 0.000 1.045 178 V CB 0.841 32.665 31.823 0.003 0.000 0.974 178 V HN 0.836 nan 8.190 nan 0.000 0.480 179 L N 3.098 124.323 121.223 0.002 0.000 2.445 179 L HA 0.410 4.750 4.340 0.001 0.000 0.207 179 L C 0.736 177.590 176.870 -0.027 0.000 1.053 179 L CA 0.557 55.396 54.840 -0.001 0.000 0.841 179 L CB 0.263 42.334 42.059 0.020 0.000 1.074 179 L HN 0.601 nan 8.230 nan 0.000 0.479 180 E N -0.496 119.674 120.200 -0.049 0.000 2.383 180 E HA 0.372 4.722 4.350 0.001 0.000 0.275 180 E C -1.103 175.339 176.600 -0.264 0.000 0.918 180 E CA -0.473 55.832 56.400 -0.159 0.000 0.764 180 E CB 2.580 32.203 29.700 -0.128 0.000 1.252 180 E HN -0.007 nan 8.360 nan 0.000 0.449 181 T N -0.592 113.706 114.554 -0.427 0.000 2.841 181 T HA 0.665 5.015 4.350 0.001 0.000 0.283 181 T C -0.751 173.536 174.700 -0.688 0.000 1.000 181 T CA -0.661 61.191 62.100 -0.413 0.000 0.977 181 T CB 1.172 69.913 68.868 -0.211 0.000 0.979 181 T HN 0.477 nan 8.240 nan 0.000 0.446 182 H N 0.094 118.996 119.070 -0.280 0.000 2.949 182 H HA 0.671 5.227 4.556 0.001 0.000 0.310 182 H C 1.788 176.992 175.328 -0.207 0.000 1.405 182 H CA -0.355 55.524 56.048 -0.283 0.000 1.253 182 H CB 0.376 29.853 29.762 -0.476 0.000 1.932 182 H HN 0.660 nan 8.280 nan 0.000 0.602 183 E N 0.585 120.795 120.200 0.017 0.000 2.058 183 E HA -0.167 4.183 4.350 0.001 0.000 0.194 183 E C 0.869 177.470 176.600 0.002 0.000 0.997 183 E CA 1.901 58.302 56.400 0.002 0.000 0.801 183 E CB -0.546 29.166 29.700 0.021 0.000 0.746 183 E HN 0.768 nan 8.360 nan 0.000 0.450 184 D N -1.639 118.789 120.400 0.046 0.000 2.503 184 D HA 0.049 4.690 4.640 0.001 0.000 0.218 184 D C 0.470 176.870 176.300 0.167 0.000 1.183 184 D CA 0.345 54.398 54.000 0.088 0.000 0.827 184 D CB -0.376 40.481 40.800 0.095 0.000 1.034 184 D HN 0.718 nan 8.370 nan 0.000 0.510 185 H N -2.582 116.508 119.070 0.033 0.000 2.932 185 H HA 0.632 5.189 4.556 0.001 0.000 0.307 185 H C -1.942 173.433 175.328 0.079 0.000 1.391 185 H CA -0.936 55.135 56.048 0.037 0.000 1.130 185 H CB 1.268 31.033 29.762 0.005 0.000 1.836 185 H HN -0.123 nan 8.280 nan 0.000 0.522 186 V N 1.347 121.330 119.914 0.115 0.000 2.962 186 V HA 0.542 4.662 4.120 0.001 0.000 0.313 186 V C -0.754 175.430 176.094 0.149 0.000 1.099 186 V CA -0.869 61.459 62.300 0.047 0.000 0.971 186 V CB 2.061 33.899 31.823 0.026 0.000 1.028 186 V HN 0.660 nan 8.190 nan 0.000 0.430 187 I N 4.772 125.406 120.570 0.107 0.000 2.389 187 I HA 0.564 4.734 4.170 0.001 0.000 0.288 187 I C 0.085 176.243 176.117 0.069 0.000 0.999 187 I CA -0.170 61.204 61.300 0.124 0.000 1.129 187 I CB 2.114 40.212 38.000 0.163 0.000 1.288 187 I HN 0.798 nan 8.210 nan 0.000 0.444 188 T N 0.973 115.567 114.554 0.066 0.000 2.926 188 T HA 0.896 5.247 4.350 0.001 0.000 0.289 188 T C -0.455 174.271 174.700 0.044 0.000 1.054 188 T CA -0.709 61.420 62.100 0.048 0.000 1.015 188 T CB 1.939 70.836 68.868 0.049 0.000 1.167 188 T HN 0.581 nan 8.240 nan 0.000 0.526 189 E N -0.383 119.838 120.200 0.035 0.000 2.224 189 E HA 0.705 5.055 4.350 0.001 0.000 0.265 189 E C -0.145 176.472 176.600 0.028 0.000 0.878 189 E CA -0.769 55.650 56.400 0.031 0.000 0.759 189 E CB 0.963 30.678 29.700 0.026 0.000 1.164 189 E HN 1.564 nan 8.360 nan 0.000 0.414 190 V N 3.099 123.030 119.914 0.028 0.000 2.450 190 V HA 0.346 4.466 4.120 0.001 0.000 0.281 190 V C 1.262 177.369 176.094 0.021 0.000 1.019 190 V CA 0.429 62.745 62.300 0.026 0.000 1.062 190 V CB -0.100 31.739 31.823 0.026 0.000 0.979 190 V HN 0.874 nan 8.190 nan 0.000 0.477 191 L N 4.501 125.736 121.223 0.020 0.000 2.313 191 L HA 0.117 4.458 4.340 0.001 0.000 0.214 191 L C 1.147 178.026 176.870 0.015 0.000 1.119 191 L CA 0.801 55.651 54.840 0.017 0.000 0.809 191 L CB -0.280 41.788 42.059 0.016 0.000 0.933 191 L HN 1.030 nan 8.230 nan 0.000 0.449 192 N N -1.307 117.402 118.700 0.016 0.000 2.396 192 N HA 0.184 4.924 4.740 0.001 0.000 0.275 192 N C -0.983 174.536 175.510 0.015 0.000 1.218 192 N CA -0.572 52.486 53.050 0.014 0.000 0.812 192 N CB 1.799 40.294 38.487 0.013 0.000 1.592 192 N HN -0.129 nan 8.380 nan 0.000 0.480 193 S N 0.306 116.013 115.700 0.013 0.000 2.513 193 S HA 0.791 5.262 4.470 0.001 0.000 0.276 193 S C -0.199 174.408 174.600 0.012 0.000 1.254 193 S CA -0.508 57.700 58.200 0.013 0.000 1.053 193 S CB 0.933 64.140 63.200 0.012 0.000 0.958 193 S HN 0.972 nan 8.310 nan 0.000 0.491 194 A N 2.156 124.983 122.820 0.012 0.000 2.608 194 A HA 0.697 5.017 4.320 0.001 0.000 0.292 194 A C -0.964 176.627 177.584 0.010 0.000 1.066 194 A CA -0.686 51.357 52.037 0.010 0.000 0.676 194 A CB 1.268 20.274 19.000 0.010 0.000 1.277 194 A HN 1.641 nan 8.150 nan 0.000 0.413 195 V N 2.495 122.413 119.914 0.008 0.000 2.370 195 V HA 0.717 4.838 4.120 0.001 0.000 0.279 195 V C -0.649 175.447 176.094 0.004 0.000 1.029 195 V CA -0.305 61.998 62.300 0.006 0.000 0.870 195 V CB 0.413 32.239 31.823 0.005 0.000 0.984 195 V HN 1.099 nan 8.190 nan 0.000 0.451 196 I N 5.186 125.759 120.570 0.004 0.000 2.693 196 I HA 1.006 5.177 4.170 0.001 0.000 0.303 196 I C 0.504 176.618 176.117 -0.005 0.000 1.025 196 I CA -0.235 61.066 61.300 0.001 0.000 1.086 196 I CB 1.684 39.686 38.000 0.004 0.000 1.268 196 I HN 0.596 nan 8.210 nan 0.000 0.440 197 G N 2.323 111.116 108.800 -0.013 0.000 2.583 197 G HA2 0.478 4.438 3.960 0.001 0.000 0.280 197 G HA3 0.478 4.438 3.960 0.001 0.000 0.280 197 G C -0.737 174.138 174.900 -0.042 0.000 1.376 197 G CA -0.789 44.298 45.100 -0.021 0.000 1.043 197 G HN 0.754 nan 8.290 nan 0.000 0.538 198 E N -0.257 119.907 120.200 -0.061 0.000 2.366 198 E HA 0.286 4.637 4.350 0.001 0.000 0.266 198 E C -0.174 176.313 176.600 -0.189 0.000 1.051 198 E CA -0.272 56.046 56.400 -0.137 0.000 0.884 198 E CB 0.759 30.383 29.700 -0.126 0.000 1.006 198 E HN 0.393 nan 8.360 nan 0.000 0.417 199 R N 1.594 121.919 120.500 -0.292 0.000 3.127 199 R HA -0.154 4.186 4.340 0.001 0.000 0.247 199 R C -0.828 175.413 176.300 -0.099 0.000 0.896 199 R CA 0.557 56.516 56.100 -0.235 0.000 0.624 199 R CB -0.766 29.341 30.300 -0.323 0.000 1.154 199 R HN 0.269 nan 8.270 nan 0.000 0.474 200 K N 1.177 121.543 120.400 -0.057 0.000 2.203 200 K HA 0.299 4.620 4.320 0.001 0.000 0.251 200 K C 0.397 176.987 176.600 -0.016 0.000 0.944 200 K CA -0.928 55.341 56.287 -0.031 0.000 0.829 200 K CB 0.908 33.394 32.500 -0.022 0.000 1.125 200 K HN 0.183 nan 8.250 nan 0.000 0.430 201 N N 2.058 120.747 118.700 -0.019 0.000 2.395 201 N HA 0.064 4.805 4.740 0.001 0.000 0.246 201 N C -0.164 175.336 175.510 -0.018 0.000 1.246 201 N CA 0.677 53.711 53.050 -0.026 0.000 0.879 201 N CB 0.496 38.968 38.487 -0.026 0.000 1.098 201 N HN 0.292 nan 8.380 nan 0.000 0.444 202 M N 1.524 121.105 119.600 -0.032 0.000 2.591 202 M HA 0.331 4.812 4.480 0.001 0.000 0.306 202 M C -0.987 175.294 176.300 -0.032 0.000 1.190 202 M CA -0.710 54.581 55.300 -0.016 0.000 0.889 202 M CB 2.082 34.683 32.600 0.001 0.000 1.728 202 M HN 0.395 nan 8.290 nan 0.000 0.458 203 N N 1.074 119.774 118.700 0.001 0.000 2.262 203 N HA 0.693 5.433 4.740 0.001 0.000 0.295 203 N C -1.719 173.813 175.510 0.036 0.000 1.161 203 N CA -0.648 52.414 53.050 0.021 0.000 0.767 203 N CB 2.173 40.690 38.487 0.050 0.000 1.499 203 N HN 0.505 nan 8.380 nan 0.000 0.476 204 L N 1.595 122.851 121.223 0.054 0.000 2.457 204 L HA 0.490 4.830 4.340 0.001 0.000 0.252 204 L C -2.468 174.439 176.870 0.062 0.000 1.132 204 L CA -1.740 53.135 54.840 0.057 0.000 0.938 204 L CB 1.049 43.144 42.059 0.059 0.000 1.246 204 L HN 0.235 nan 8.230 nan 0.000 0.476 205 P HA -0.043 nan 4.420 nan 0.000 0.263 205 P C 0.322 177.640 177.300 0.030 0.000 1.175 205 P CA 0.551 63.671 63.100 0.034 0.000 0.761 205 P CB 0.290 32.004 31.700 0.023 0.000 0.794 206 N N -0.984 117.728 118.700 0.020 0.000 2.753 206 N HA -0.144 4.596 4.740 0.001 0.000 0.251 206 N C -0.813 174.717 175.510 0.033 0.000 1.097 206 N CA 0.769 53.829 53.050 0.017 0.000 0.786 206 N CB -1.299 37.194 38.487 0.010 0.000 1.137 206 N HN 0.172 nan 8.380 nan 0.000 0.566 207 V N 0.974 120.917 119.914 0.048 0.000 2.487 207 V HA 0.210 4.331 4.120 0.001 0.000 0.298 207 V C 0.588 176.726 176.094 0.074 0.000 1.028 207 V CA -0.901 61.439 62.300 0.067 0.000 0.860 207 V CB 2.244 34.117 31.823 0.083 0.000 0.991 207 V HN 0.035 nan 8.190 nan 0.000 0.427 208 K N 4.053 124.499 120.400 0.077 0.000 2.315 208 K HA 0.315 4.635 4.320 0.001 0.000 0.291 208 K C -0.524 176.134 176.600 0.096 0.000 1.074 208 K CA -0.318 56.016 56.287 0.078 0.000 0.936 208 K CB 0.716 33.256 32.500 0.067 0.000 1.049 208 K HN 0.526 nan 8.250 nan 0.000 0.471 209 V N 4.877 124.852 119.914 0.103 0.000 2.425 209 V HA -0.070 4.050 4.120 0.001 0.000 0.276 209 V C 0.318 176.434 176.094 0.037 0.000 1.017 209 V CA 0.069 62.355 62.300 -0.024 0.000 1.062 209 V CB 0.506 32.293 31.823 -0.059 0.000 0.997 209 V HN 0.739 nan 8.190 nan 0.000 0.476 210 D N 6.458 126.940 120.400 0.137 0.000 2.508 210 D HA 0.349 4.990 4.640 0.001 0.000 0.224 210 D C -0.461 175.954 176.300 0.191 0.000 1.171 210 D CA 0.302 54.411 54.000 0.182 0.000 1.006 210 D CB -0.216 40.716 40.800 0.220 0.000 1.073 210 D HN 0.428 nan 8.370 nan 0.000 0.513 211 L N 2.738 124.013 121.223 0.087 0.000 2.424 211 L HA 0.466 4.806 4.340 0.001 0.000 0.258 211 L C -2.133 174.766 176.870 0.049 0.000 0.995 211 L CA -2.177 52.700 54.840 0.062 0.000 0.821 211 L CB 2.240 44.287 42.059 -0.020 0.000 1.383 211 L HN 0.077 nan 8.230 nan 0.000 0.410 212 P HA 0.028 nan 4.420 nan 0.000 0.264 212 P C 0.836 178.158 177.300 0.036 0.000 1.193 212 P CA -0.070 63.050 63.100 0.034 0.000 0.763 212 P CB 0.803 32.518 31.700 0.025 0.000 0.810 213 I N 3.571 124.168 120.570 0.044 0.000 2.394 213 I HA -0.059 4.112 4.170 0.001 0.000 0.251 213 I C 0.990 177.132 176.117 0.042 0.000 1.136 213 I CA 1.001 62.336 61.300 0.057 0.000 1.425 213 I CB -0.955 37.077 38.000 0.052 0.000 1.079 213 I HN 0.366 nan 8.210 nan 0.000 0.425 214 I N -0.700 119.887 120.570 0.028 0.000 2.498 214 I HA 0.599 4.770 4.170 0.001 0.000 0.290 214 I C 0.137 176.265 176.117 0.017 0.000 1.032 214 I CA -0.589 60.723 61.300 0.021 0.000 1.073 214 I CB 2.014 40.023 38.000 0.014 0.000 1.251 214 I HN 0.146 nan 8.210 nan 0.000 0.426 215 S N 3.347 119.058 115.700 0.017 0.000 2.686 215 S HA 0.358 4.829 4.470 0.001 0.000 0.270 215 S C 0.806 175.416 174.600 0.018 0.000 1.194 215 S CA -0.492 57.719 58.200 0.017 0.000 0.990 215 S CB 1.394 64.605 63.200 0.017 0.000 1.029 215 S HN 0.708 nan 8.310 nan 0.000 0.560 216 E N 0.750 120.960 120.200 0.018 0.000 2.118 216 E HA -0.175 4.175 4.350 0.001 0.000 0.195 216 E C 1.833 178.447 176.600 0.023 0.000 0.992 216 E CA 1.410 57.820 56.400 0.017 0.000 0.804 216 E CB -0.393 29.316 29.700 0.015 0.000 0.741 216 E HN 0.799 nan 8.360 nan 0.000 0.458 217 K N 0.981 121.398 120.400 0.029 0.000 2.026 217 K HA -0.150 4.171 4.320 0.001 0.000 0.208 217 K C 1.616 178.247 176.600 0.051 0.000 1.048 217 K CA 1.726 58.040 56.287 0.045 0.000 0.929 217 K CB 0.029 32.562 32.500 0.055 0.000 0.713 217 K HN -0.102 nan 8.250 nan 0.000 0.439 218 D N 0.610 121.030 120.400 0.034 0.000 2.149 218 D HA -0.164 4.476 4.640 0.001 0.000 0.198 218 D C 1.746 178.045 176.300 -0.002 0.000 0.990 218 D CA 1.168 55.175 54.000 0.012 0.000 0.839 218 D CB 0.010 40.817 40.800 0.012 0.000 0.948 218 D HN 0.285 nan 8.370 nan 0.000 0.460 219 K N 0.390 120.796 120.400 0.010 0.000 2.097 219 K HA -0.128 4.193 4.320 0.001 0.000 0.205 219 K C 1.853 178.463 176.600 0.017 0.000 1.050 219 K CA 0.843 57.134 56.287 0.006 0.000 0.938 219 K CB 0.062 32.568 32.500 0.009 0.000 0.718 219 K HN -0.088 nan 8.250 nan 0.000 0.442 220 N N 0.970 119.693 118.700 0.038 0.000 2.188 220 N HA -0.148 4.593 4.740 0.001 0.000 0.184 220 N C 1.047 176.648 175.510 0.151 0.000 1.018 220 N CA 1.684 54.779 53.050 0.075 0.000 0.858 220 N CB -0.042 38.475 38.487 0.050 0.000 0.989 220 N HN 0.147 nan 8.380 nan 0.000 0.426 221 D N -0.031 120.429 120.400 0.100 0.000 2.117 221 D HA -0.083 4.557 4.640 0.001 0.000 0.197 221 D C 1.968 178.170 176.300 -0.162 0.000 0.987 221 D CA 0.832 54.794 54.000 -0.064 0.000 0.829 221 D CB -0.190 40.440 40.800 -0.282 0.000 0.961 221 D HN 0.395 nan 8.370 nan 0.000 0.460 222 I N 0.240 120.749 120.570 -0.102 0.000 2.163 222 I HA -0.210 3.960 4.170 0.001 0.000 0.240 222 I C 2.327 178.412 176.117 -0.054 0.000 1.081 222 I CA 0.794 62.042 61.300 -0.087 0.000 1.353 222 I CB -0.115 37.850 38.000 -0.058 0.000 1.054 222 I HN -0.058 nan 8.210 nan 0.000 0.407 223 L N 0.220 121.430 121.223 -0.020 0.000 2.131 223 L HA -0.087 4.253 4.340 0.001 0.000 0.206 223 L C 1.615 178.482 176.870 -0.006 0.000 1.087 223 L CA 1.016 55.847 54.840 -0.015 0.000 0.767 223 L CB -0.398 41.659 42.059 -0.003 0.000 0.917 223 L HN 0.296 nan 8.230 nan 0.000 0.441 224 N N -1.742 116.990 118.700 0.052 0.000 2.236 224 N HA 0.073 4.814 4.740 0.001 0.000 0.196 224 N C 0.934 176.493 175.510 0.083 0.000 1.114 224 N CA 0.368 53.475 53.050 0.094 0.000 0.859 224 N CB 0.889 39.486 38.487 0.184 0.000 0.982 224 N HN 0.231 nan 8.380 nan 0.000 0.493 225 F N 0.653 120.481 119.950 -0.205 0.000 2.268 225 F HA 0.373 4.901 4.527 0.001 0.000 0.262 225 F C 2.056 177.639 175.800 -0.361 0.000 0.910 225 F CA 0.276 58.049 58.000 -0.378 0.000 1.142 225 F CB -0.462 38.136 39.000 -0.671 0.000 1.229 225 F HN -0.095 nan 8.300 nan 0.000 0.781 226 A N 1.427 124.204 122.820 -0.072 0.000 1.903 226 A HA -0.206 4.115 4.320 0.001 0.000 0.219 226 A C 2.113 179.588 177.584 -0.181 0.000 1.191 226 A CA 2.477 54.449 52.037 -0.108 0.000 0.638 226 A CB -1.358 17.591 19.000 -0.084 0.000 0.823 226 A HN 0.518 nan 8.150 nan 0.000 0.451 227 I N -0.234 120.243 120.570 -0.155 0.000 2.133 227 I HA -0.140 4.030 4.170 0.001 0.000 0.238 227 I C -0.475 175.527 176.117 -0.191 0.000 1.074 227 I CA 1.448 62.666 61.300 -0.137 0.000 1.342 227 I CB -1.072 36.873 38.000 -0.091 0.000 1.053 227 I HN 0.243 nan 8.210 nan 0.000 0.404 228 P HA -0.071 nan 4.420 nan 0.000 0.222 228 P C 1.550 178.615 177.300 -0.392 0.000 1.153 228 P CA 1.042 63.991 63.100 -0.252 0.000 0.798 228 P CB 0.038 31.609 31.700 -0.215 0.000 0.796 229 M N -1.297 117.920 119.600 -0.637 0.000 2.419 229 M HA 0.251 4.731 4.480 0.001 0.000 0.264 229 M C 1.073 176.973 176.300 -0.667 0.000 1.082 229 M CA 0.523 55.225 55.300 -0.997 0.000 1.119 229 M CB -1.524 29.951 32.600 -1.874 0.000 1.398 229 M HN 0.079 nan 8.290 nan 0.000 0.453 230 G N 0.338 108.927 108.800 -0.352 0.000 2.291 230 G HA2 -0.203 3.758 3.960 0.001 0.000 0.271 230 G HA3 -0.203 3.758 3.960 0.001 0.000 0.271 230 G C 0.038 174.949 174.900 0.019 0.000 1.099 230 G CA -0.044 44.981 45.100 -0.124 0.000 0.919 230 G HN 0.468 nan 8.290 nan 0.000 0.496 231 C N -0.449 118.851 119.300 0.001 0.000 2.657 231 C HA 0.315 4.775 4.460 0.001 0.000 0.404 231 C C 1.945 176.919 174.990 -0.028 0.000 1.291 231 C CA 0.389 59.467 59.018 0.099 0.000 2.218 231 C CB 0.381 28.189 27.740 0.114 0.000 2.687 231 C HN 0.745 nan 8.230 nan 0.000 0.634 232 N N -0.303 118.324 118.700 -0.122 0.000 2.432 232 N HA 0.190 4.931 4.740 0.001 0.000 0.174 232 N C -0.682 174.409 175.510 -0.700 0.000 1.037 232 N CA 0.612 53.361 53.050 -0.501 0.000 0.892 232 N CB 0.179 38.167 38.487 -0.831 0.000 1.049 232 N HN 0.584 nan 8.380 nan 0.000 0.442 233 F N 0.369 120.374 119.950 0.092 0.000 2.576 233 F HA 0.547 5.075 4.527 0.000 0.000 0.313 233 F C -0.635 175.205 175.800 0.066 0.000 1.078 233 F CA -0.973 57.072 58.000 0.075 0.000 0.921 233 F CB 1.895 40.941 39.000 0.077 0.000 1.232 233 F HN -0.276 nan 8.300 nan 0.000 0.459 234 I N 2.400 123.106 120.570 0.226 0.000 2.411 234 I HA 0.489 4.659 4.170 0.001 0.000 0.284 234 I C -0.507 175.686 176.117 0.128 0.000 1.012 234 I CA -0.800 60.580 61.300 0.134 0.000 1.119 234 I CB 1.656 39.692 38.000 0.059 0.000 1.261 234 I HN 0.746 nan 8.210 nan 0.000 0.448 235 A N 5.725 128.614 122.820 0.115 0.000 2.310 235 A HA 0.731 5.051 4.320 0.001 0.000 0.300 235 A C 0.258 177.883 177.584 0.069 0.000 1.269 235 A CA -0.351 51.737 52.037 0.085 0.000 0.909 235 A CB 0.269 19.314 19.000 0.075 0.000 1.144 235 A HN 0.764 nan 8.150 nan 0.000 0.540 236 A N 3.448 126.305 122.820 0.062 0.000 2.252 236 A HA 0.580 4.901 4.320 0.001 0.000 0.309 236 A C 0.568 178.196 177.584 0.075 0.000 1.285 236 A CA -0.340 51.733 52.037 0.059 0.000 0.900 236 A CB -0.001 19.027 19.000 0.047 0.000 1.157 236 A HN 0.791 nan 8.150 nan 0.000 0.536 237 S N 1.304 117.059 115.700 0.091 0.000 2.549 237 S HA 0.344 4.815 4.470 0.001 0.000 0.283 237 S C 0.181 174.909 174.600 0.213 0.000 1.320 237 S CA 0.102 58.383 58.200 0.135 0.000 1.058 237 S CB -0.367 62.905 63.200 0.119 0.000 0.882 237 S HN 1.061 nan 8.310 nan 0.000 0.498 238 F N 0.881 120.838 119.950 0.011 0.000 3.071 238 F HA -0.175 4.352 4.527 0.001 0.000 0.295 238 F C -0.088 175.716 175.800 0.006 0.000 0.919 238 F CA -0.294 57.709 58.000 0.004 0.000 1.050 238 F CB -0.902 38.090 39.000 -0.013 0.000 1.040 238 F HN 0.450 nan 8.300 nan 0.000 0.692 239 I N 1.754 122.315 120.570 -0.014 0.000 2.618 239 I HA -0.084 4.087 4.170 0.001 0.000 0.284 239 I C 1.287 177.327 176.117 -0.127 0.000 1.146 239 I CA 0.796 62.074 61.300 -0.037 0.000 1.425 239 I CB 1.126 39.118 38.000 -0.013 0.000 1.383 239 I HN 0.493 nan 8.210 nan 0.000 0.562 240 Q N 3.416 123.158 119.800 -0.096 0.000 2.280 240 Q HA 0.122 4.462 4.340 0.001 0.000 0.244 240 Q C 0.042 176.003 176.000 -0.066 0.000 0.847 240 Q CA 0.034 55.775 55.803 -0.105 0.000 0.945 240 Q CB 1.005 29.683 28.738 -0.101 0.000 1.115 240 Q HN 0.860 nan 8.270 nan 0.000 0.513 241 S N -2.044 113.609 115.700 -0.077 0.000 2.625 241 S HA 0.621 5.091 4.470 0.001 0.000 0.271 241 S C 0.289 174.843 174.600 -0.076 0.000 1.161 241 S CA -0.353 57.778 58.200 -0.116 0.000 0.820 241 S CB 1.111 64.198 63.200 -0.188 0.000 1.137 241 S HN 0.023 nan 8.310 nan 0.000 0.470 242 A N 0.468 123.241 122.820 -0.080 0.000 2.067 242 A HA -0.011 4.309 4.320 0.001 0.000 0.219 242 A C 1.550 179.104 177.584 -0.051 0.000 1.158 242 A CA 1.617 53.618 52.037 -0.061 0.000 0.661 242 A CB -0.962 18.004 19.000 -0.058 0.000 0.801 242 A HN 0.823 nan 8.150 nan 0.000 0.452 243 D N 0.307 120.673 120.400 -0.057 0.000 2.178 243 D HA -0.123 4.518 4.640 0.001 0.000 0.202 243 D C 1.058 177.341 176.300 -0.029 0.000 0.974 243 D CA 1.229 55.204 54.000 -0.043 0.000 0.841 243 D CB -0.233 40.538 40.800 -0.047 0.000 0.953 243 D HN 0.373 nan 8.370 nan 0.000 0.478 244 D N 0.241 120.624 120.400 -0.028 0.000 2.117 244 D HA -0.108 4.533 4.640 0.001 0.000 0.197 244 D C 2.315 178.609 176.300 -0.010 0.000 0.987 244 D CA 0.464 54.457 54.000 -0.012 0.000 0.829 244 D CB -0.243 40.554 40.800 -0.005 0.000 0.961 244 D HN 0.089 nan 8.370 nan 0.000 0.460 245 V N 0.928 120.831 119.914 -0.017 0.000 2.358 245 V HA -0.194 3.926 4.120 0.001 0.000 0.246 245 V C 2.435 178.520 176.094 -0.015 0.000 1.047 245 V CA 1.451 63.742 62.300 -0.014 0.000 1.035 245 V CB -0.378 31.431 31.823 -0.023 0.000 0.658 245 V HN 0.124 nan 8.190 nan 0.000 0.452 246 R N -0.362 120.126 120.500 -0.020 0.000 2.096 246 R HA -0.097 4.243 4.340 0.001 0.000 0.235 246 R C 2.334 178.624 176.300 -0.016 0.000 1.127 246 R CA 1.453 57.541 56.100 -0.020 0.000 0.968 246 R CB -0.455 29.831 30.300 -0.023 0.000 0.861 246 R HN 0.438 nan 8.270 nan 0.000 0.440 247 L N 0.851 122.066 121.223 -0.013 0.000 2.083 247 L HA -0.139 4.201 4.340 0.001 0.000 0.209 247 L C 2.021 178.887 176.870 -0.008 0.000 1.083 247 L CA 1.365 56.199 54.840 -0.009 0.000 0.752 247 L CB -0.027 42.029 42.059 -0.005 0.000 0.899 247 L HN 0.159 nan 8.230 nan 0.000 0.433 248 I N -0.838 119.729 120.570 -0.006 0.000 2.406 248 I HA -0.229 3.941 4.170 0.001 0.000 0.249 248 I C 2.673 178.783 176.117 -0.011 0.000 1.122 248 I CA 0.838 62.134 61.300 -0.005 0.000 1.431 248 I CB -0.268 37.733 38.000 0.001 0.000 1.087 248 I HN 0.238 nan 8.210 nan 0.000 0.424 249 R N 1.233 121.724 120.500 -0.014 0.000 2.081 249 R HA -0.158 4.183 4.340 0.001 0.000 0.235 249 R C 2.123 178.407 176.300 -0.025 0.000 1.131 249 R CA 1.622 57.709 56.100 -0.020 0.000 0.960 249 R CB -0.077 30.210 30.300 -0.021 0.000 0.856 249 R HN 0.323 nan 8.270 nan 0.000 0.436 250 N N 0.861 119.548 118.700 -0.022 0.000 2.104 250 N HA -0.200 4.541 4.740 0.001 0.000 0.190 250 N C 1.643 177.140 175.510 -0.022 0.000 1.024 250 N CA 1.056 54.093 53.050 -0.022 0.000 0.853 250 N CB -0.358 38.118 38.487 -0.018 0.000 1.008 250 N HN 0.188 nan 8.380 nan 0.000 0.424 251 L N 1.007 122.218 121.223 -0.019 0.000 2.046 251 L HA -0.002 4.338 4.340 0.001 0.000 0.208 251 L C 2.003 178.858 176.870 -0.024 0.000 1.077 251 L CA 1.190 56.020 54.840 -0.018 0.000 0.747 251 L CB -0.556 41.495 42.059 -0.014 0.000 0.896 251 L HN 0.091 nan 8.230 nan 0.000 0.432 252 L N -0.454 120.752 121.223 -0.028 0.000 2.079 252 L HA -0.006 4.334 4.340 0.001 0.000 0.210 252 L C 1.600 178.445 176.870 -0.042 0.000 1.081 252 L CA 0.774 55.592 54.840 -0.036 0.000 0.752 252 L CB -1.251 40.786 42.059 -0.037 0.000 0.896 252 L HN 0.599 nan 8.230 nan 0.000 0.433 253 G N -0.608 108.167 108.800 -0.041 0.000 2.641 253 G HA2 -0.290 3.670 3.960 0.001 0.000 0.254 253 G HA3 -0.290 3.670 3.960 0.001 0.000 0.254 253 G C -1.834 173.030 174.900 -0.060 0.000 1.315 253 G CA -0.056 45.018 45.100 -0.044 0.000 0.907 253 G HN 0.152 nan 8.290 nan 0.000 0.572 254 P HA 0.004 nan 4.420 nan 0.000 0.218 254 P C 1.986 179.241 177.300 -0.074 0.000 1.149 254 P CA 1.447 64.505 63.100 -0.070 0.000 0.817 254 P CB -0.045 31.626 31.700 -0.049 0.000 0.785 255 R N -0.801 119.667 120.500 -0.053 0.000 2.115 255 R HA 0.024 4.364 4.340 0.001 0.000 0.230 255 R C 1.955 178.227 176.300 -0.046 0.000 1.111 255 R CA 1.492 57.568 56.100 -0.041 0.000 0.976 255 R CB -0.893 29.385 30.300 -0.037 0.000 0.870 255 R HN 0.207 nan 8.270 nan 0.000 0.445 256 G N -0.446 108.318 108.800 -0.060 0.000 3.523 256 G HA2 0.039 3.999 3.960 0.001 0.000 0.270 256 G HA3 0.039 3.999 3.960 0.001 0.000 0.270 256 G C 1.347 176.191 174.900 -0.093 0.000 1.134 256 G CA 0.138 45.202 45.100 -0.060 0.000 0.825 256 G HN 0.285 nan 8.290 nan 0.000 0.534 257 R N 0.109 120.506 120.500 -0.172 0.000 2.127 257 R HA -0.109 4.231 4.340 0.001 0.000 0.238 257 R C 1.859 177.967 176.300 -0.320 0.000 1.134 257 R CA 1.625 57.553 56.100 -0.288 0.000 0.975 257 R CB -1.171 28.868 30.300 -0.435 0.000 0.865 257 R HN 0.601 nan 8.270 nan 0.000 0.447 258 H N -0.806 118.240 119.070 -0.040 0.000 2.553 258 H HA 0.309 4.865 4.556 0.001 0.000 0.265 258 H C 0.203 175.487 175.328 -0.074 0.000 0.964 258 H CA -0.161 55.858 56.048 -0.048 0.000 1.156 258 H CB 0.042 29.774 29.762 -0.050 0.000 1.411 258 H HN 0.332 nan 8.280 nan 0.000 0.558 259 I N 2.689 123.261 120.570 0.003 0.000 2.496 259 I HA 0.004 4.174 4.170 0.001 0.000 0.285 259 I C 0.312 176.417 176.117 -0.019 0.000 1.080 259 I CA -0.109 61.165 61.300 -0.042 0.000 1.404 259 I CB 0.684 38.662 38.000 -0.037 0.000 1.403 259 I HN -0.232 nan 8.210 nan 0.000 0.539 260 K N 7.273 127.660 120.400 -0.022 0.000 2.172 260 K HA 0.523 4.844 4.320 0.001 0.000 0.276 260 K C -0.539 176.147 176.600 0.144 0.000 1.013 260 K CA -0.515 55.828 56.287 0.093 0.000 0.913 260 K CB 1.789 34.417 32.500 0.214 0.000 1.055 260 K HN 0.482 nan 8.250 nan 0.000 0.461 261 I N 3.685 124.321 120.570 0.110 0.000 2.304 261 I HA 0.187 4.358 4.170 0.001 0.000 0.291 261 I C -0.226 175.947 176.117 0.093 0.000 1.018 261 I CA -0.691 60.662 61.300 0.088 0.000 1.260 261 I CB 0.580 38.606 38.000 0.044 0.000 1.390 261 I HN 0.306 nan 8.210 nan 0.000 0.475 262 I N 9.313 129.943 120.570 0.099 0.000 2.428 262 I HA 0.329 4.499 4.170 0.001 0.000 0.279 262 I C -2.304 173.843 176.117 0.050 0.000 1.040 262 I CA -1.920 59.421 61.300 0.069 0.000 1.171 262 I CB 0.843 38.879 38.000 0.060 0.000 1.312 262 I HN 0.259 nan 8.210 nan 0.000 0.470 263 P HA 0.100 nan 4.420 nan 0.000 0.268 263 P C -0.841 176.487 177.300 0.045 0.000 1.204 263 P CA -0.210 62.910 63.100 0.033 0.000 0.768 263 P CB 0.454 32.161 31.700 0.012 0.000 0.842 264 K N 3.392 123.821 120.400 0.048 0.000 2.240 264 K HA 0.382 4.702 4.320 0.001 0.000 0.271 264 K C -0.253 176.366 176.600 0.033 0.000 1.018 264 K CA -0.554 55.764 56.287 0.051 0.000 0.874 264 K CB 0.859 33.398 32.500 0.064 0.000 1.098 264 K HN 0.338 nan 8.250 nan 0.000 0.458 265 I N 3.659 124.250 120.570 0.035 0.000 2.322 265 I HA 0.084 4.254 4.170 0.001 0.000 0.292 265 I C 0.528 176.627 176.117 -0.030 0.000 1.060 265 I CA 0.343 61.643 61.300 -0.000 0.000 1.309 265 I CB 0.619 38.652 38.000 0.055 0.000 1.415 265 I HN 0.795 nan 8.210 nan 0.000 0.492 266 E N 4.228 124.369 120.200 -0.098 0.000 2.641 266 E HA 0.078 4.429 4.350 0.001 0.000 0.224 266 E C -0.142 176.416 176.600 -0.071 0.000 0.951 266 E CA -0.149 56.238 56.400 -0.022 0.000 1.102 266 E CB 0.731 30.528 29.700 0.163 0.000 1.091 266 E HN 0.754 nan 8.360 nan 0.000 0.507 267 N N -0.556 118.005 118.700 -0.231 0.000 2.972 267 N HA 0.195 4.935 4.740 0.001 0.000 0.262 267 N C 0.316 175.745 175.510 -0.135 0.000 1.478 267 N CA -0.654 52.290 53.050 -0.176 0.000 0.841 267 N CB 0.472 38.788 38.487 -0.284 0.000 1.512 267 N HN -0.165 nan 8.380 nan 0.000 0.548 268 I N 0.354 120.876 120.570 -0.080 0.000 2.226 268 I HA -0.194 3.977 4.170 0.001 0.000 0.245 268 I C 2.103 178.183 176.117 -0.062 0.000 1.100 268 I CA 1.193 62.455 61.300 -0.063 0.000 1.374 268 I CB -0.134 37.842 38.000 -0.039 0.000 1.057 268 I HN 0.557 nan 8.210 nan 0.000 0.413 269 E N 0.796 120.965 120.200 -0.052 0.000 2.085 269 E HA -0.214 4.136 4.350 0.001 0.000 0.194 269 E C 2.249 178.882 176.600 0.054 0.000 0.994 269 E CA 1.620 58.034 56.400 0.023 0.000 0.801 269 E CB -0.463 29.256 29.700 0.030 0.000 0.743 269 E HN 0.590 nan 8.360 nan 0.000 0.453 270 G N 0.961 109.731 108.800 -0.050 0.000 2.432 270 G HA2 -0.211 3.749 3.960 0.001 0.000 0.219 270 G HA3 -0.211 3.749 3.960 0.001 0.000 0.219 270 G C 1.720 176.661 174.900 0.069 0.000 1.135 270 G CA 0.629 45.725 45.100 -0.008 0.000 0.767 270 G HN 0.195 nan 8.290 nan 0.000 0.550 271 I N 0.327 120.897 120.570 -0.000 0.000 2.233 271 I HA -0.069 4.101 4.170 0.001 0.000 0.243 271 I C 2.618 178.729 176.117 -0.009 0.000 1.093 271 I CA 0.607 61.897 61.300 -0.018 0.000 1.380 271 I CB -0.219 37.728 38.000 -0.089 0.000 1.067 271 I HN 0.116 nan 8.210 nan 0.000 0.413 272 I N 0.378 120.897 120.570 -0.084 0.000 2.127 272 I HA -0.318 3.852 4.170 0.001 0.000 0.241 272 I C 1.932 177.894 176.117 -0.259 0.000 1.075 272 I CA 1.496 62.663 61.300 -0.220 0.000 1.334 272 I CB -0.510 37.266 38.000 -0.373 0.000 1.040 272 I HN 0.335 nan 8.210 nan 0.000 0.405 273 H N -0.472 118.618 119.070 0.033 0.000 2.538 273 H HA 0.042 4.598 4.556 0.001 0.000 0.286 273 H C 1.533 176.883 175.328 0.037 0.000 1.035 273 H CA -0.059 56.002 56.048 0.022 0.000 1.169 273 H CB -0.060 29.696 29.762 -0.010 0.000 1.417 273 H HN 0.296 nan 8.280 nan 0.000 0.567 274 F N 2.516 122.471 119.950 0.008 0.000 2.087 274 F HA -0.288 4.240 4.527 0.001 0.000 0.299 274 F C 1.786 177.587 175.800 0.002 0.000 1.100 274 F CA 1.664 59.660 58.000 -0.007 0.000 1.226 274 F CB 0.096 39.075 39.000 -0.035 0.000 0.983 274 F HN 0.034 nan 8.300 nan 0.000 0.479 275 D N 0.539 120.913 120.400 -0.043 0.000 2.087 275 D HA -0.223 4.418 4.640 0.001 0.000 0.192 275 D C 2.490 178.687 176.300 -0.171 0.000 0.993 275 D CA 2.481 56.404 54.000 -0.129 0.000 0.828 275 D CB -0.602 40.205 40.800 0.012 0.000 0.968 275 D HN 0.421 nan 8.370 nan 0.000 0.448 276 K N 0.939 121.294 120.400 -0.075 0.000 2.103 276 K HA -0.127 4.193 4.320 0.001 0.000 0.207 276 K C 2.286 178.820 176.600 -0.110 0.000 1.048 276 K CA 1.296 57.546 56.287 -0.062 0.000 0.930 276 K CB -1.139 31.359 32.500 -0.004 0.000 0.716 276 K HN 0.244 nan 8.250 nan 0.000 0.444 277 I N -0.012 120.471 120.570 -0.146 0.000 2.179 277 I HA -0.210 3.960 4.170 0.001 0.000 0.242 277 I C 2.552 178.525 176.117 -0.240 0.000 1.088 277 I CA 1.160 62.361 61.300 -0.166 0.000 1.357 277 I CB -0.198 37.719 38.000 -0.139 0.000 1.051 277 I HN 0.313 nan 8.210 nan 0.000 0.409 278 L N 1.324 122.282 121.223 -0.443 0.000 2.042 278 L HA -0.199 4.142 4.340 0.001 0.000 0.210 278 L C 2.550 179.298 176.870 -0.202 0.000 1.076 278 L CA 2.188 56.778 54.840 -0.417 0.000 0.749 278 L CB -0.841 40.822 42.059 -0.660 0.000 0.893 278 L HN 0.216 nan 8.230 nan 0.000 0.432 279 A N -1.106 121.616 122.820 -0.164 0.000 1.902 279 A HA -0.172 4.149 4.320 0.001 0.000 0.217 279 A C 2.166 179.714 177.584 -0.059 0.000 1.181 279 A CA 1.727 53.712 52.037 -0.086 0.000 0.623 279 A CB -0.514 18.446 19.000 -0.067 0.000 0.818 279 A HN 0.533 nan 8.150 nan 0.000 0.443 280 E N 0.655 120.814 120.200 -0.067 0.000 2.216 280 E HA 0.040 4.390 4.350 0.001 0.000 0.192 280 E C 0.732 177.312 176.600 -0.033 0.000 0.988 280 E CA 0.254 56.628 56.400 -0.044 0.000 0.834 280 E CB -0.200 29.473 29.700 -0.045 0.000 0.772 280 E HN 0.506 nan 8.360 nan 0.000 0.479 281 S N 1.277 116.947 115.700 -0.049 0.000 2.596 281 S HA 0.031 4.502 4.470 0.001 0.000 0.260 281 S C 0.721 175.325 174.600 0.007 0.000 1.336 281 S CA -0.192 57.992 58.200 -0.027 0.000 0.993 281 S CB 0.627 63.793 63.200 -0.057 0.000 0.923 281 S HN 0.118 nan 8.310 nan 0.000 0.567 282 D N 0.171 120.594 120.400 0.039 0.000 2.379 282 D HA 0.303 4.943 4.640 0.001 0.000 0.208 282 D C 0.728 177.071 176.300 0.073 0.000 1.065 282 D CA 0.390 54.438 54.000 0.079 0.000 0.848 282 D CB 0.697 41.569 40.800 0.121 0.000 0.949 282 D HN 0.652 nan 8.370 nan 0.000 0.509 283 G N 0.235 109.055 108.800 0.034 0.000 2.313 283 G HA2 0.335 4.296 3.960 0.001 0.000 0.296 283 G HA3 0.335 4.296 3.960 0.001 0.000 0.296 283 G C -1.888 173.015 174.900 0.005 0.000 1.356 283 G CA -0.704 44.398 45.100 0.003 0.000 0.833 283 G HN -0.075 nan 8.290 nan 0.000 0.552 284 I N 0.401 120.977 120.570 0.010 0.000 2.689 284 I HA 0.618 4.788 4.170 0.001 0.000 0.299 284 I C -0.312 175.820 176.117 0.025 0.000 1.059 284 I CA -0.778 60.552 61.300 0.051 0.000 1.055 284 I CB 1.981 40.073 38.000 0.153 0.000 1.243 284 I HN 0.699 nan 8.210 nan 0.000 0.425 285 M N 7.622 127.242 119.600 0.034 0.000 2.142 285 M HA 0.595 5.075 4.480 0.001 0.000 0.299 285 M C -1.562 174.755 176.300 0.029 0.000 0.960 285 M CA -0.522 54.787 55.300 0.015 0.000 0.920 285 M CB 1.675 34.280 32.600 0.009 0.000 1.541 285 M HN 0.516 nan 8.290 nan 0.000 0.429 286 I N 2.226 122.805 120.570 0.016 0.000 2.509 286 I HA 0.970 5.140 4.170 0.001 0.000 0.293 286 I C -1.020 175.100 176.117 0.006 0.000 1.020 286 I CA -0.829 60.476 61.300 0.009 0.000 1.088 286 I CB 2.077 40.070 38.000 -0.011 0.000 1.267 286 I HN 0.702 nan 8.210 nan 0.000 0.430 287 A N 5.295 128.122 122.820 0.011 0.000 2.343 287 A HA 0.512 4.832 4.320 0.001 0.000 0.308 287 A C 0.882 178.473 177.584 0.012 0.000 1.092 287 A CA -0.786 51.259 52.037 0.014 0.000 0.751 287 A CB 1.593 20.607 19.000 0.024 0.000 1.203 287 A HN 0.948 nan 8.150 nan 0.000 0.452 288 R N 2.036 122.542 120.500 0.010 0.000 2.119 288 R HA -0.206 4.134 4.340 0.001 0.000 0.246 288 R C 1.984 178.293 176.300 0.016 0.000 1.146 288 R CA 2.386 58.493 56.100 0.011 0.000 0.962 288 R CB -0.319 29.991 30.300 0.017 0.000 0.863 288 R HN 0.901 nan 8.270 nan 0.000 0.442 289 G N 0.199 109.011 108.800 0.020 0.000 2.422 289 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 289 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 289 G C 0.925 175.842 174.900 0.029 0.000 1.146 289 G CA 1.066 46.181 45.100 0.024 0.000 0.769 289 G HN 0.380 nan 8.290 nan 0.000 0.547 290 D N -0.158 120.263 120.400 0.035 0.000 2.262 290 D HA 0.009 4.649 4.640 0.001 0.000 0.212 290 D C 2.383 178.707 176.300 0.040 0.000 0.964 290 D CA 0.163 54.194 54.000 0.051 0.000 0.875 290 D CB -0.064 40.777 40.800 0.069 0.000 0.996 290 D HN 0.259 nan 8.370 nan 0.000 0.497 291 L N 1.023 122.256 121.223 0.016 0.000 2.141 291 L HA 0.075 4.416 4.340 0.001 0.000 0.209 291 L C 1.798 178.657 176.870 -0.018 0.000 1.094 291 L CA 1.637 56.471 54.840 -0.011 0.000 0.763 291 L CB -0.298 41.743 42.059 -0.029 0.000 0.908 291 L HN 0.003 nan 8.230 nan 0.000 0.437 292 G N -1.488 107.309 108.800 -0.005 0.000 3.337 292 G HA2 -0.018 3.942 3.960 0.001 0.000 0.246 292 G HA3 -0.018 3.942 3.960 0.001 0.000 0.246 292 G C 1.177 176.080 174.900 0.006 0.000 1.131 292 G CA 0.365 45.461 45.100 -0.007 0.000 0.773 292 G HN 0.310 nan 8.290 nan 0.000 0.544 293 M N 0.709 120.319 119.600 0.017 0.000 2.099 293 M HA 0.076 4.556 4.480 0.001 0.000 0.262 293 M C 1.996 178.310 176.300 0.023 0.000 1.067 293 M CA 1.681 56.997 55.300 0.027 0.000 1.124 293 M CB -0.172 32.456 32.600 0.047 0.000 1.353 293 M HN 0.206 nan 8.290 nan 0.000 0.410 294 E N -0.318 119.894 120.200 0.021 0.000 2.474 294 E HA 0.088 4.438 4.350 0.001 0.000 0.194 294 E C -0.254 176.344 176.600 -0.003 0.000 1.041 294 E CA -0.243 56.166 56.400 0.015 0.000 0.874 294 E CB 0.291 30.003 29.700 0.020 0.000 0.914 294 E HN 0.319 nan 8.360 nan 0.000 0.498 295 I N 1.175 121.738 120.570 -0.012 0.000 2.472 295 I HA 0.041 4.211 4.170 0.001 0.000 0.290 295 I C 0.774 176.882 176.117 -0.015 0.000 1.016 295 I CA -0.442 60.842 61.300 -0.026 0.000 1.348 295 I CB 1.312 39.285 38.000 -0.046 0.000 1.417 295 I HN -0.125 nan 8.210 nan 0.000 0.521 296 S N 7.027 122.716 115.700 -0.018 0.000 2.546 296 S HA 0.091 4.562 4.470 0.001 0.000 0.290 296 S C -1.285 173.316 174.600 0.002 0.000 1.290 296 S CA -0.782 57.414 58.200 -0.006 0.000 1.069 296 S CB 0.528 63.723 63.200 -0.009 0.000 0.846 296 S HN 0.378 nan 8.310 nan 0.000 0.495 297 P HA -0.167 nan 4.420 nan 0.000 0.218 297 P C 0.580 177.914 177.300 0.056 0.000 1.152 297 P CA 1.491 64.609 63.100 0.030 0.000 0.857 297 P CB 0.011 31.727 31.700 0.028 0.000 0.787 298 E N -0.628 119.607 120.200 0.058 0.000 2.427 298 E HA -0.064 4.286 4.350 0.001 0.000 0.196 298 E C 1.182 177.857 176.600 0.125 0.000 1.028 298 E CA 0.733 57.201 56.400 0.112 0.000 0.864 298 E CB -0.453 29.300 29.700 0.088 0.000 0.813 298 E HN 0.394 nan 8.360 nan 0.000 0.514 299 K N 0.308 120.706 120.400 -0.002 0.000 2.358 299 K HA 0.190 4.511 4.320 0.001 0.000 0.200 299 K C 1.290 177.756 176.600 -0.224 0.000 1.030 299 K CA 0.062 56.249 56.287 -0.167 0.000 1.097 299 K CB 0.784 33.201 32.500 -0.138 0.000 0.862 299 K HN -0.035 nan 8.250 nan 0.000 0.534 300 V N 1.938 121.812 119.914 -0.065 0.000 2.343 300 V HA -0.262 3.858 4.120 0.001 0.000 0.247 300 V C 2.153 178.214 176.094 -0.055 0.000 1.051 300 V CA 1.908 64.183 62.300 -0.041 0.000 1.036 300 V CB -0.772 31.069 31.823 0.030 0.000 0.654 300 V HN 0.387 nan 8.190 nan 0.000 0.451 301 F N -0.063 119.861 119.950 -0.042 0.000 2.365 301 F HA -0.035 4.493 4.527 0.001 0.000 0.300 301 F C 1.866 177.632 175.800 -0.057 0.000 1.090 301 F CA 1.192 59.164 58.000 -0.046 0.000 1.408 301 F CB -0.999 37.979 39.000 -0.037 0.000 1.060 301 F HN 0.063 nan 8.300 nan 0.000 0.534 302 L N 1.042 121.709 121.223 -0.925 0.000 2.017 302 L HA -0.134 4.206 4.340 0.001 0.000 0.208 302 L C 3.034 179.705 176.870 -0.330 0.000 1.073 302 L CA 1.283 55.718 54.840 -0.675 0.000 0.745 302 L CB -1.259 40.408 42.059 -0.653 0.000 0.894 302 L HN 0.334 nan 8.230 nan 0.000 0.432 303 A N -0.456 122.196 122.820 -0.279 0.000 1.940 303 A HA -0.244 4.076 4.320 0.001 0.000 0.219 303 A C 2.232 179.683 177.584 -0.222 0.000 1.176 303 A CA 1.612 53.506 52.037 -0.238 0.000 0.631 303 A CB -0.435 18.445 19.000 -0.200 0.000 0.814 303 A HN 0.524 nan 8.150 nan 0.000 0.446 304 Q N -0.811 118.899 119.800 -0.149 0.000 2.083 304 Q HA -0.108 4.232 4.340 0.001 0.000 0.198 304 Q C 2.513 178.459 176.000 -0.089 0.000 0.969 304 Q CA 1.817 57.560 55.803 -0.100 0.000 0.838 304 Q CB -0.309 28.412 28.738 -0.028 0.000 0.900 304 Q HN 0.705 nan 8.270 nan 0.000 0.436 305 K N 1.074 121.434 120.400 -0.066 0.000 2.103 305 K HA -0.076 4.245 4.320 0.001 0.000 0.204 305 K C 1.840 178.391 176.600 -0.082 0.000 1.052 305 K CA 1.170 57.433 56.287 -0.040 0.000 0.945 305 K CB -0.942 31.568 32.500 0.016 0.000 0.722 305 K HN 0.166 nan 8.250 nan 0.000 0.443 306 L N 0.204 121.345 121.223 -0.137 0.000 2.017 306 L HA -0.026 4.315 4.340 0.001 0.000 0.208 306 L C 2.526 179.278 176.870 -0.196 0.000 1.073 306 L CA 2.183 56.927 54.840 -0.160 0.000 0.745 306 L CB -0.272 41.663 42.059 -0.207 0.000 0.894 306 L HN 0.469 nan 8.230 nan 0.000 0.432 307 M N -1.345 118.065 119.600 -0.317 0.000 2.288 307 M HA -0.106 4.374 4.480 0.001 0.000 0.266 307 M C 2.209 178.465 176.300 -0.073 0.000 1.072 307 M CA 1.521 56.579 55.300 -0.404 0.000 1.132 307 M CB -0.242 31.953 32.600 -0.675 0.000 1.386 307 M HN 0.258 nan 8.290 nan 0.000 0.432 308 I N -0.616 119.913 120.570 -0.069 0.000 2.252 308 I HA -0.217 3.954 4.170 0.001 0.000 0.245 308 I C 2.434 178.547 176.117 -0.005 0.000 1.102 308 I CA 0.969 62.257 61.300 -0.020 0.000 1.385 308 I CB -0.300 37.683 38.000 -0.029 0.000 1.064 308 I HN 0.179 nan 8.210 nan 0.000 0.414 309 S N 0.501 116.190 115.700 -0.017 0.000 2.368 309 S HA -0.155 4.315 4.470 0.001 0.000 0.225 309 S C 1.983 176.592 174.600 0.015 0.000 1.030 309 S CA 1.232 59.426 58.200 -0.009 0.000 0.999 309 S CB -0.127 63.061 63.200 -0.019 0.000 0.844 309 S HN 0.347 nan 8.310 nan 0.000 0.459 310 K N 0.179 120.608 120.400 0.050 0.000 2.097 310 K HA -0.030 4.291 4.320 0.001 0.000 0.205 310 K C 2.300 178.965 176.600 0.109 0.000 1.050 310 K CA 1.101 57.455 56.287 0.111 0.000 0.938 310 K CB -0.290 32.359 32.500 0.250 0.000 0.718 310 K HN 0.363 nan 8.250 nan 0.000 0.442 311 C N 0.923 120.294 119.300 0.119 0.000 2.453 311 C HA -0.055 4.405 4.460 0.001 0.000 0.277 311 C C 2.244 177.247 174.990 0.023 0.000 1.262 311 C CA 0.659 59.723 59.018 0.076 0.000 1.718 311 C CB -1.191 26.597 27.740 0.080 0.000 2.031 311 C HN 0.555 nan 8.230 nan 0.000 0.480 312 N N 0.823 119.527 118.700 0.007 0.000 2.061 312 N HA -0.155 4.586 4.740 0.001 0.000 0.193 312 N C 1.569 177.049 175.510 -0.051 0.000 1.030 312 N CA 1.181 54.218 53.050 -0.022 0.000 0.856 312 N CB -0.256 38.216 38.487 -0.026 0.000 1.023 312 N HN 0.480 nan 8.380 nan 0.000 0.424 313 L N 0.257 121.458 121.223 -0.037 0.000 2.201 313 L HA -0.139 4.201 4.340 0.001 0.000 0.212 313 L C 2.139 178.978 176.870 -0.053 0.000 1.105 313 L CA 0.890 55.697 54.840 -0.055 0.000 0.775 313 L CB -0.032 42.013 42.059 -0.024 0.000 0.913 313 L HN 0.171 nan 8.230 nan 0.000 0.440 314 Q N -0.559 119.229 119.800 -0.020 0.000 2.402 314 Q HA 0.102 4.443 4.340 0.001 0.000 0.206 314 Q C 1.393 177.393 176.000 0.000 0.000 0.919 314 Q CA 0.793 56.592 55.803 -0.006 0.000 0.923 314 Q CB 0.569 29.311 28.738 0.007 0.000 1.048 314 Q HN 0.411 nan 8.270 nan 0.000 0.515 315 G N -0.028 108.766 108.800 -0.009 0.000 2.176 315 G HA2 -0.223 3.737 3.960 0.001 0.000 0.253 315 G HA3 -0.223 3.737 3.960 0.001 0.000 0.253 315 G C -0.188 174.785 174.900 0.122 0.000 0.979 315 G CA 0.155 45.275 45.100 0.032 0.000 0.641 315 G HN 0.095 nan 8.290 nan 0.000 0.530 316 K N 1.518 121.957 120.400 0.064 0.000 2.276 316 K HA 0.411 4.731 4.320 0.001 0.000 0.283 316 K C -2.191 174.384 176.600 -0.043 0.000 1.044 316 K CA -1.876 54.437 56.287 0.043 0.000 0.944 316 K CB 1.644 34.155 32.500 0.018 0.000 1.012 316 K HN 0.218 nan 8.250 nan 0.000 0.472 317 P HA 0.244 nan 4.420 nan 0.000 0.275 317 P C -0.415 176.802 177.300 -0.137 0.000 1.228 317 P CA -0.327 62.592 63.100 -0.302 0.000 0.786 317 P CB 0.918 32.283 31.700 -0.558 0.000 0.927 318 I N 2.117 122.623 120.570 -0.106 0.000 2.608 318 I HA 0.436 4.606 4.170 0.001 0.000 0.295 318 I C -0.899 175.178 176.117 -0.067 0.000 1.049 318 I CA -1.428 59.840 61.300 -0.053 0.000 1.063 318 I CB 1.510 39.506 38.000 -0.007 0.000 1.248 318 I HN 0.162 nan 8.210 nan 0.000 0.424 319 I N 6.196 126.733 120.570 -0.055 0.000 2.355 319 I HA 0.242 4.413 4.170 0.001 0.000 0.288 319 I C -0.230 175.869 176.117 -0.029 0.000 0.999 319 I CA -0.409 60.858 61.300 -0.056 0.000 1.163 319 I CB 1.734 39.686 38.000 -0.080 0.000 1.316 319 I HN 0.472 nan 8.210 nan 0.000 0.454 320 T N 5.701 120.240 114.554 -0.025 0.000 2.752 320 T HA 0.252 4.603 4.350 0.001 0.000 0.295 320 T C 0.866 175.561 174.700 -0.010 0.000 0.923 320 T CA -0.095 61.996 62.100 -0.014 0.000 1.112 320 T CB 1.046 69.906 68.868 -0.013 0.000 0.884 320 T HN 0.778 nan 8.240 nan 0.000 0.525 321 A N 3.315 126.133 122.820 -0.003 0.000 2.431 321 A HA 0.288 4.609 4.320 0.001 0.000 0.239 321 A C 1.354 178.944 177.584 0.010 0.000 1.230 321 A CA -0.278 51.761 52.037 0.003 0.000 0.928 321 A CB 0.048 19.053 19.000 0.009 0.000 1.006 321 A HN 0.693 nan 8.150 nan 0.000 0.520 322 T N 0.144 114.703 114.554 0.008 0.000 2.934 322 T HA 0.052 4.402 4.350 0.001 0.000 0.306 322 T C 0.167 174.873 174.700 0.011 0.000 1.042 322 T CA 0.135 62.242 62.100 0.011 0.000 1.145 322 T CB 0.071 68.945 68.868 0.010 0.000 0.982 322 T HN 0.472 nan 8.240 nan 0.000 0.544 323 Q N 4.295 124.104 119.800 0.014 0.000 2.324 323 Q HA 0.207 4.547 4.340 0.001 0.000 0.257 323 Q C 0.738 176.746 176.000 0.012 0.000 1.080 323 Q CA -0.168 55.643 55.803 0.014 0.000 0.907 323 Q CB 0.332 29.080 28.738 0.016 0.000 1.274 323 Q HN 0.829 nan 8.270 nan 0.000 0.434 324 M N 3.510 123.116 119.600 0.011 0.000 2.421 324 M HA 0.108 4.589 4.480 0.001 0.000 0.258 324 M C 0.303 176.609 176.300 0.010 0.000 1.122 324 M CA 0.344 55.649 55.300 0.009 0.000 1.078 324 M CB 0.724 33.328 32.600 0.005 0.000 1.380 324 M HN 0.510 nan 8.290 nan 0.000 0.499 325 L N 0.190 121.422 121.223 0.014 0.000 3.154 325 L HA 0.185 4.526 4.340 0.001 0.000 0.266 325 L C 1.709 178.594 176.870 0.024 0.000 1.300 325 L CA -0.244 54.607 54.840 0.019 0.000 1.028 325 L CB -0.011 42.061 42.059 0.021 0.000 1.412 325 L HN 0.160 nan 8.230 nan 0.000 0.564 326 E N 1.429 121.641 120.200 0.020 0.000 2.097 326 E HA -0.257 4.094 4.350 0.001 0.000 0.196 326 E C 2.023 178.639 176.600 0.026 0.000 1.000 326 E CA 2.056 58.468 56.400 0.020 0.000 0.804 326 E CB 0.269 29.978 29.700 0.015 0.000 0.740 326 E HN 0.566 nan 8.360 nan 0.000 0.454 327 S N -0.163 115.554 115.700 0.028 0.000 2.469 327 S HA -0.095 4.375 4.470 0.001 0.000 0.238 327 S C 1.927 176.563 174.600 0.060 0.000 0.998 327 S CA 0.861 59.083 58.200 0.036 0.000 0.957 327 S CB -0.387 62.831 63.200 0.030 0.000 0.764 327 S HN 0.260 nan 8.310 nan 0.000 0.514 328 M N 1.604 121.245 119.600 0.068 0.000 2.682 328 M HA 0.033 4.513 4.480 0.001 0.000 0.235 328 M C 1.378 177.750 176.300 0.119 0.000 1.114 328 M CA 0.550 55.919 55.300 0.116 0.000 1.053 328 M CB -0.673 31.985 32.600 0.096 0.000 1.599 328 M HN 0.389 nan 8.290 nan 0.000 0.520 329 T N 0.459 115.047 114.554 0.058 0.000 2.857 329 T HA -0.083 4.267 4.350 0.001 0.000 0.266 329 T C 1.750 176.433 174.700 -0.028 0.000 1.048 329 T CA 1.275 63.379 62.100 0.007 0.000 1.139 329 T CB 0.125 68.989 68.868 -0.007 0.000 0.874 329 T HN 0.358 nan 8.240 nan 0.000 0.455 330 K N 0.284 120.701 120.400 0.029 0.000 2.306 330 K HA 0.217 4.538 4.320 0.001 0.000 0.200 330 K C 0.424 177.151 176.600 0.212 0.000 1.083 330 K CA 0.158 56.462 56.287 0.028 0.000 0.959 330 K CB 0.352 32.869 32.500 0.028 0.000 0.994 330 K HN 0.096 nan 8.250 nan 0.000 0.492 331 N N 1.488 120.338 118.700 0.250 0.000 2.509 331 N HA 0.129 4.869 4.740 0.001 0.000 0.287 331 N C -2.182 173.494 175.510 0.277 0.000 1.121 331 N CA -1.690 51.520 53.050 0.266 0.000 0.977 331 N CB 1.013 39.566 38.487 0.110 0.000 1.167 331 N HN -0.088 nan 8.380 nan 0.000 0.476 332 P HA -0.001 nan 4.420 nan 0.000 0.241 332 P C 0.036 177.208 177.300 -0.213 0.000 1.191 332 P CA 0.919 63.689 63.100 -0.550 0.000 0.771 332 P CB 0.424 31.622 31.700 -0.837 0.000 0.929 333 R N 0.801 121.249 120.500 -0.086 0.000 2.621 333 R HA 0.613 4.954 4.340 0.001 0.000 0.284 333 R C -3.059 173.236 176.300 -0.008 0.000 0.998 333 R CA -1.907 54.164 56.100 -0.049 0.000 0.895 333 R CB -0.235 30.031 30.300 -0.056 0.000 1.195 333 R HN 0.005 nan 8.270 nan 0.000 0.450 334 P HA 0.281 nan 4.420 nan 0.000 0.276 334 P C -0.030 177.271 177.300 0.001 0.000 1.261 334 P CA -0.003 63.101 63.100 0.007 0.000 0.800 334 P CB 1.077 32.780 31.700 0.005 0.000 1.066 335 T N -3.382 111.174 114.554 0.004 0.000 2.868 335 T HA 0.355 4.705 4.350 0.001 0.000 0.292 335 T C 1.678 176.375 174.700 -0.004 0.000 1.028 335 T CA 0.092 62.192 62.100 -0.000 0.000 1.059 335 T CB 0.256 69.124 68.868 0.001 0.000 0.991 335 T HN 0.488 nan 8.240 nan 0.000 0.531 336 R N 1.173 121.669 120.500 -0.007 0.000 2.091 336 R HA 0.105 4.445 4.340 0.001 0.000 0.238 336 R C 2.854 179.148 176.300 -0.011 0.000 1.136 336 R CA 2.202 58.296 56.100 -0.010 0.000 0.959 336 R CB -1.806 28.487 30.300 -0.011 0.000 0.856 336 R HN 1.036 nan 8.270 nan 0.000 0.437 337 A N 1.104 123.918 122.820 -0.011 0.000 1.902 337 A HA -0.192 4.129 4.320 0.001 0.000 0.217 337 A C 2.210 179.787 177.584 -0.011 0.000 1.181 337 A CA 1.650 53.680 52.037 -0.013 0.000 0.623 337 A CB -0.339 18.654 19.000 -0.012 0.000 0.818 337 A HN 0.719 nan 8.150 nan 0.000 0.443 338 E N -0.464 119.733 120.200 -0.006 0.000 2.110 338 E HA -0.118 4.232 4.350 0.001 0.000 0.193 338 E C 1.979 178.576 176.600 -0.005 0.000 0.988 338 E CA 1.223 57.621 56.400 -0.003 0.000 0.804 338 E CB -0.237 29.465 29.700 0.003 0.000 0.745 338 E HN 0.426 nan 8.360 nan 0.000 0.458 339 V N 1.171 121.081 119.914 -0.007 0.000 2.270 339 V HA -0.256 3.864 4.120 0.001 0.000 0.245 339 V C 2.772 178.860 176.094 -0.011 0.000 1.043 339 V CA 2.197 64.493 62.300 -0.008 0.000 1.014 339 V CB -0.870 30.948 31.823 -0.009 0.000 0.645 339 V HN 0.504 nan 8.190 nan 0.000 0.447 340 T N -1.756 112.789 114.554 -0.015 0.000 2.962 340 T HA -0.218 4.133 4.350 0.001 0.000 0.270 340 T C 1.612 176.299 174.700 -0.022 0.000 1.088 340 T CA 1.706 63.794 62.100 -0.020 0.000 1.127 340 T CB -0.395 68.459 68.868 -0.024 0.000 0.883 340 T HN 0.481 nan 8.240 nan 0.000 0.493 341 D N 0.945 121.334 120.400 -0.018 0.000 2.117 341 D HA -0.069 4.572 4.640 0.001 0.000 0.198 341 D C 2.130 178.422 176.300 -0.012 0.000 0.982 341 D CA 0.992 54.982 54.000 -0.016 0.000 0.828 341 D CB -0.415 40.378 40.800 -0.011 0.000 0.967 341 D HN 0.332 nan 8.370 nan 0.000 0.464 342 V N 0.949 120.857 119.914 -0.009 0.000 2.295 342 V HA -0.213 3.908 4.120 0.001 0.000 0.246 342 V C 2.659 178.746 176.094 -0.012 0.000 1.049 342 V CA 1.796 64.091 62.300 -0.007 0.000 1.024 342 V CB -1.086 30.735 31.823 -0.004 0.000 0.648 342 V HN 0.331 nan 8.190 nan 0.000 0.447 343 A N 0.697 123.509 122.820 -0.014 0.000 1.873 343 A HA -0.286 4.035 4.320 0.001 0.000 0.218 343 A C 2.059 179.629 177.584 -0.023 0.000 1.193 343 A CA 2.337 54.363 52.037 -0.018 0.000 0.629 343 A CB -0.789 18.200 19.000 -0.019 0.000 0.826 343 A HN 0.608 nan 8.150 nan 0.000 0.447 344 N N 0.265 118.951 118.700 -0.024 0.000 2.223 344 N HA -0.088 4.653 4.740 0.001 0.000 0.185 344 N C 1.850 177.347 175.510 -0.022 0.000 1.016 344 N CA 1.420 54.453 53.050 -0.027 0.000 0.863 344 N CB -0.577 37.891 38.487 -0.032 0.000 0.983 344 N HN 0.510 nan 8.380 nan 0.000 0.429 345 A N 0.871 123.681 122.820 -0.017 0.000 1.877 345 A HA -0.084 4.236 4.320 0.001 0.000 0.216 345 A C 2.526 180.098 177.584 -0.021 0.000 1.186 345 A CA 1.310 53.338 52.037 -0.015 0.000 0.620 345 A CB -0.812 18.182 19.000 -0.011 0.000 0.822 345 A HN 0.093 nan 8.150 nan 0.000 0.443 346 V N 0.089 119.989 119.914 -0.023 0.000 2.295 346 V HA -0.258 3.862 4.120 0.001 0.000 0.246 346 V C 2.500 178.570 176.094 -0.040 0.000 1.049 346 V CA 2.043 64.326 62.300 -0.029 0.000 1.024 346 V CB -0.751 31.058 31.823 -0.024 0.000 0.648 346 V HN 0.567 nan 8.190 nan 0.000 0.447 347 L N -0.383 120.816 121.223 -0.041 0.000 2.376 347 L HA -0.100 4.241 4.340 0.001 0.000 0.219 347 L C 2.121 178.964 176.870 -0.045 0.000 1.133 347 L CA 0.904 55.713 54.840 -0.051 0.000 0.816 347 L CB -0.602 41.428 42.059 -0.047 0.000 0.933 347 L HN 0.319 nan 8.230 nan 0.000 0.449 348 D N 0.557 120.937 120.400 -0.032 0.000 2.219 348 D HA -0.056 4.585 4.640 0.001 0.000 0.205 348 D C 1.573 177.854 176.300 -0.030 0.000 0.970 348 D CA 1.392 55.378 54.000 -0.025 0.000 0.851 348 D CB 0.183 40.974 40.800 -0.014 0.000 0.943 348 D HN 0.386 nan 8.370 nan 0.000 0.488 349 G N 0.549 109.327 108.800 -0.036 0.000 2.181 349 G HA2 -0.207 3.754 3.960 0.001 0.000 0.152 349 G HA3 -0.207 3.754 3.960 0.001 0.000 0.152 349 G C 0.339 175.220 174.900 -0.032 0.000 1.026 349 G CA 0.200 45.278 45.100 -0.037 0.000 0.699 349 G HN 0.346 nan 8.290 nan 0.000 0.497 350 T N -0.588 113.946 114.554 -0.033 0.000 2.919 350 T HA 0.409 4.759 4.350 0.001 0.000 0.302 350 T C 1.495 176.168 174.700 -0.045 0.000 1.031 350 T CA 0.854 62.933 62.100 -0.035 0.000 1.127 350 T CB 0.514 69.364 68.868 -0.029 0.000 0.952 350 T HN 0.198 nan 8.240 nan 0.000 0.540 351 D N 1.601 121.967 120.400 -0.057 0.000 2.162 351 D HA 0.128 4.769 4.640 0.001 0.000 0.203 351 D C 0.230 176.490 176.300 -0.066 0.000 0.967 351 D CA 0.792 54.747 54.000 -0.075 0.000 0.840 351 D CB 0.272 41.009 40.800 -0.105 0.000 0.972 351 D HN 0.424 nan 8.370 nan 0.000 0.482 352 C N 0.041 119.314 119.300 -0.047 0.000 2.802 352 C HA 0.683 5.143 4.460 0.001 0.000 0.307 352 C C -0.261 174.719 174.990 -0.017 0.000 1.222 352 C CA -1.157 57.850 59.018 -0.018 0.000 1.580 352 C CB 1.498 29.220 27.740 -0.029 0.000 2.119 352 C HN 0.120 nan 8.230 nan 0.000 0.479 353 V N 0.610 120.524 119.914 -0.002 0.000 2.881 353 V HA 0.776 4.896 4.120 0.001 0.000 0.316 353 V C -0.586 175.508 176.094 -0.001 0.000 1.070 353 V CA -0.686 61.613 62.300 -0.002 0.000 0.976 353 V CB 1.818 33.642 31.823 0.003 0.000 1.038 353 V HN 0.966 nan 8.190 nan 0.000 0.446 354 M N 2.879 122.477 119.600 -0.002 0.000 2.393 354 M HA 0.646 5.127 4.480 0.001 0.000 0.299 354 M C -2.025 174.277 176.300 0.003 0.000 1.103 354 M CA -0.701 54.597 55.300 -0.002 0.000 0.910 354 M CB 2.072 34.669 32.600 -0.004 0.000 1.659 354 M HN 0.746 nan 8.290 nan 0.000 0.445 355 L N 2.945 124.170 121.223 0.002 0.000 2.296 355 L HA 0.466 4.807 4.340 0.001 0.000 0.286 355 L C 0.245 177.118 176.870 0.004 0.000 1.023 355 L CA -0.156 54.687 54.840 0.005 0.000 0.812 355 L CB 1.911 43.974 42.059 0.006 0.000 1.223 355 L HN 0.801 nan 8.230 nan 0.000 0.421 356 S N 1.428 117.134 115.700 0.010 0.000 2.650 356 S HA 0.107 4.577 4.470 0.001 0.000 0.182 356 S C 1.636 176.245 174.600 0.015 0.000 0.832 356 S CA 0.514 58.723 58.200 0.015 0.000 0.860 356 S CB -0.114 63.100 63.200 0.023 0.000 0.818 356 S HN 0.870 nan 8.310 nan 0.000 0.600 357 G N 1.070 109.879 108.800 0.016 0.000 2.484 357 G HA2 -0.071 3.890 3.960 0.001 0.000 0.218 357 G HA3 -0.071 3.890 3.960 0.001 0.000 0.218 357 G C 1.047 175.949 174.900 0.003 0.000 1.130 357 G CA 0.567 45.673 45.100 0.010 0.000 0.784 357 G HN 0.447 nan 8.290 nan 0.000 0.543 358 E N 0.456 120.662 120.200 0.010 0.000 2.110 358 E HA -0.097 4.253 4.350 0.001 0.000 0.193 358 E C 2.778 179.385 176.600 0.012 0.000 0.988 358 E CA 1.850 58.261 56.400 0.017 0.000 0.804 358 E CB -0.255 29.462 29.700 0.028 0.000 0.745 358 E HN 0.564 nan 8.360 nan 0.000 0.458 359 T N -2.339 112.216 114.554 0.003 0.000 3.039 359 T HA 0.327 4.678 4.350 0.001 0.000 0.250 359 T C 1.994 176.683 174.700 -0.018 0.000 1.052 359 T CA 0.352 62.447 62.100 -0.007 0.000 1.125 359 T CB 0.022 68.881 68.868 -0.015 0.000 0.908 359 T HN 0.142 nan 8.240 nan 0.000 0.473 360 A N 1.929 124.741 122.820 -0.014 0.000 1.840 360 A HA 0.536 4.857 4.320 0.001 0.000 0.214 360 A C 2.125 179.700 177.584 -0.016 0.000 1.198 360 A CA 1.057 53.087 52.037 -0.011 0.000 0.608 360 A CB -0.910 18.099 19.000 0.014 0.000 0.839 360 A HN 0.666 nan 8.150 nan 0.000 0.443 361 G N -0.906 107.883 108.800 -0.020 0.000 4.683 361 G HA2 0.484 4.445 3.960 0.001 0.000 0.273 361 G HA3 0.484 4.445 3.960 0.001 0.000 0.273 361 G C 0.198 175.066 174.900 -0.054 0.000 1.065 361 G CA 0.478 45.556 45.100 -0.036 0.000 0.837 361 G HN 0.738 nan 8.290 nan 0.000 0.526 362 G N -0.192 108.573 108.800 -0.058 0.000 2.441 362 G HA2 0.489 4.450 3.960 0.001 0.000 0.334 362 G HA3 0.489 4.450 3.960 0.001 0.000 0.334 362 G C 0.485 175.289 174.900 -0.160 0.000 1.161 362 G CA -0.586 44.462 45.100 -0.087 0.000 0.935 362 G HN 0.066 nan 8.290 nan 0.000 0.488 363 K N -0.412 119.801 120.400 -0.311 0.000 2.217 363 K HA 0.140 4.461 4.320 0.001 0.000 0.202 363 K C 0.037 176.233 176.600 -0.674 0.000 1.051 363 K CA 0.937 56.864 56.287 -0.600 0.000 0.952 363 K CB -0.062 31.861 32.500 -0.962 0.000 0.736 363 K HN 0.422 nan 8.250 nan 0.000 0.453 364 F N 0.404 120.350 119.950 -0.006 0.000 2.550 364 F HA 0.248 4.776 4.527 0.001 0.000 0.348 364 F C -1.820 173.977 175.800 -0.006 0.000 1.219 364 F CA -1.978 56.018 58.000 -0.005 0.000 1.203 364 F CB 1.583 40.580 39.000 -0.004 0.000 1.436 364 F HN -0.072 nan 8.300 nan 0.000 0.541 365 P HA -0.071 nan 4.420 nan 0.000 0.217 365 P C 1.653 178.992 177.300 0.065 0.000 1.154 365 P CA 0.904 64.044 63.100 0.065 0.000 0.841 365 P CB 0.503 32.218 31.700 0.025 0.000 0.790 366 V N 1.845 121.802 119.914 0.071 0.000 2.407 366 V HA -0.193 3.927 4.120 0.001 0.000 0.248 366 V C 2.621 178.742 176.094 0.046 0.000 1.055 366 V CA 1.902 64.231 62.300 0.050 0.000 1.049 366 V CB -1.233 30.618 31.823 0.046 0.000 0.662 366 V HN 0.152 nan 8.190 nan 0.000 0.455 367 E N 1.086 121.326 120.200 0.066 0.000 2.106 367 E HA -0.145 4.205 4.350 0.001 0.000 0.192 367 E C 2.339 178.958 176.600 0.031 0.000 0.984 367 E CA 1.403 57.820 56.400 0.029 0.000 0.806 367 E CB -0.511 29.182 29.700 -0.012 0.000 0.750 367 E HN 0.575 nan 8.360 nan 0.000 0.458 368 A N 1.772 124.628 122.820 0.061 0.000 1.877 368 A HA -0.110 4.210 4.320 0.001 0.000 0.216 368 A C 2.637 180.238 177.584 0.029 0.000 1.186 368 A CA 1.502 53.568 52.037 0.048 0.000 0.620 368 A CB -0.716 18.320 19.000 0.059 0.000 0.822 368 A HN 0.135 nan 8.150 nan 0.000 0.443 369 V N -0.308 119.622 119.914 0.027 0.000 2.427 369 V HA -0.196 3.924 4.120 0.001 0.000 0.248 369 V C 2.657 178.761 176.094 0.017 0.000 1.051 369 V CA 2.312 64.623 62.300 0.019 0.000 1.048 369 V CB -1.427 30.405 31.823 0.016 0.000 0.666 369 V HN 0.578 nan 8.190 nan 0.000 0.456 370 T N 1.812 116.374 114.554 0.014 0.000 2.674 370 T HA -0.179 4.172 4.350 0.001 0.000 0.265 370 T C 1.865 176.568 174.700 0.005 0.000 1.039 370 T CA 2.273 64.378 62.100 0.008 0.000 1.150 370 T CB -0.383 68.487 68.868 0.003 0.000 0.864 370 T HN 0.699 nan 8.240 nan 0.000 0.427 371 I N -0.670 119.901 120.570 0.003 0.000 2.546 371 I HA 0.044 4.214 4.170 0.001 0.000 0.255 371 I C 2.371 178.491 176.117 0.005 0.000 1.163 371 I CA 1.089 62.389 61.300 0.000 0.000 1.457 371 I CB -0.559 37.437 38.000 -0.006 0.000 1.092 371 I HN 0.054 nan 8.210 nan 0.000 0.434 372 M N 1.741 121.347 119.600 0.010 0.000 2.065 372 M HA -0.182 4.299 4.480 0.001 0.000 0.259 372 M C 2.394 178.703 176.300 0.015 0.000 1.071 372 M CA 2.197 57.505 55.300 0.012 0.000 1.109 372 M CB -0.638 31.971 32.600 0.016 0.000 1.313 372 M HN 0.329 nan 8.290 nan 0.000 0.408 373 S N 0.167 115.878 115.700 0.019 0.000 2.370 373 S HA -0.188 4.282 4.470 0.001 0.000 0.226 373 S C 1.912 176.523 174.600 0.018 0.000 1.033 373 S CA 1.675 59.890 58.200 0.024 0.000 1.011 373 S CB -0.453 62.763 63.200 0.026 0.000 0.852 373 S HN 0.495 nan 8.310 nan 0.000 0.457 374 K N 0.656 121.063 120.400 0.012 0.000 2.057 374 K HA 0.018 4.339 4.320 0.001 0.000 0.207 374 K C 2.001 178.604 176.600 0.006 0.000 1.049 374 K CA 1.201 57.493 56.287 0.008 0.000 0.931 374 K CB -0.321 32.180 32.500 0.002 0.000 0.714 374 K HN 0.339 nan 8.250 nan 0.000 0.440 375 I N 0.574 121.147 120.570 0.004 0.000 2.252 375 I HA -0.341 3.829 4.170 0.001 0.000 0.245 375 I C 2.415 178.534 176.117 0.003 0.000 1.102 375 I CA 0.848 62.148 61.300 0.002 0.000 1.385 375 I CB -0.384 37.616 38.000 -0.000 0.000 1.064 375 I HN 0.238 nan 8.210 nan 0.000 0.414 376 C N 0.737 120.042 119.300 0.007 0.000 2.413 376 C HA -0.177 4.283 4.460 0.001 0.000 0.276 376 C C 2.767 177.766 174.990 0.014 0.000 1.236 376 C CA 0.804 59.828 59.018 0.009 0.000 1.735 376 C CB -1.038 26.711 27.740 0.015 0.000 2.031 376 C HN 0.459 nan 8.230 nan 0.000 0.474 377 L N 0.181 121.416 121.223 0.019 0.000 2.131 377 L HA -0.149 4.191 4.340 0.001 0.000 0.210 377 L C 2.604 179.486 176.870 0.020 0.000 1.092 377 L CA 1.375 56.229 54.840 0.023 0.000 0.759 377 L CB -0.481 41.591 42.059 0.022 0.000 0.903 377 L HN 0.308 nan 8.230 nan 0.000 0.435 378 E N -0.074 120.133 120.200 0.012 0.000 2.051 378 E HA -0.109 4.241 4.350 0.001 0.000 0.189 378 E C 2.200 178.802 176.600 0.004 0.000 0.979 378 E CA 1.277 57.681 56.400 0.007 0.000 0.803 378 E CB -0.146 29.555 29.700 0.002 0.000 0.761 378 E HN 0.362 nan 8.360 nan 0.000 0.451 379 A N 0.497 123.317 122.820 -0.002 0.000 1.969 379 A HA -0.164 4.157 4.320 0.001 0.000 0.218 379 A C 1.916 179.492 177.584 -0.014 0.000 1.169 379 A CA 1.508 53.538 52.037 -0.012 0.000 0.635 379 A CB -0.445 18.544 19.000 -0.017 0.000 0.810 379 A HN 0.231 nan 8.150 nan 0.000 0.445 380 E N -0.282 119.920 120.200 0.004 0.000 2.204 380 E HA -0.023 4.328 4.350 0.001 0.000 0.194 380 E C 2.047 178.679 176.600 0.053 0.000 0.989 380 E CA 0.709 57.124 56.400 0.024 0.000 0.824 380 E CB -0.197 29.538 29.700 0.059 0.000 0.756 380 E HN 0.623 nan 8.360 nan 0.000 0.477 381 A N 0.089 122.936 122.820 0.044 0.000 2.168 381 A HA -0.119 4.201 4.320 0.001 0.000 0.215 381 A C 2.060 179.664 177.584 0.033 0.000 1.152 381 A CA 0.658 52.726 52.037 0.053 0.000 0.716 381 A CB -0.341 18.681 19.000 0.036 0.000 0.794 381 A HN 0.338 nan 8.150 nan 0.000 0.465 382 C N -0.702 118.599 119.300 0.001 0.000 2.512 382 C HA 0.294 4.755 4.460 0.001 0.000 0.276 382 C C 1.125 176.084 174.990 -0.052 0.000 1.368 382 C CA -0.790 58.216 59.018 -0.019 0.000 1.755 382 C CB -1.111 26.613 27.740 -0.026 0.000 2.008 382 C HN 0.521 nan 8.230 nan 0.000 0.511 383 I N 2.778 123.281 120.570 -0.111 0.000 2.741 383 I HA -0.040 4.131 4.170 0.001 0.000 0.288 383 I C 0.195 176.181 176.117 -0.219 0.000 1.192 383 I CA 0.672 61.823 61.300 -0.248 0.000 1.426 383 I CB 0.086 37.767 38.000 -0.533 0.000 1.367 383 I HN 0.223 nan 8.210 nan 0.000 0.563 384 D N 6.458 126.765 120.400 -0.155 0.000 2.393 384 D HA 0.057 4.698 4.640 0.001 0.000 0.232 384 D C 0.521 176.778 176.300 -0.071 0.000 1.192 384 D CA 0.045 54.011 54.000 -0.056 0.000 0.882 384 D CB 0.483 41.275 40.800 -0.014 0.000 1.038 384 D HN 0.349 nan 8.370 nan 0.000 0.499 385 Y N 2.713 123.035 120.300 0.037 0.000 2.263 385 Y HA -0.080 4.470 4.550 0.001 0.000 0.292 385 Y C 2.340 178.293 175.900 0.089 0.000 1.130 385 Y CA 0.865 58.998 58.100 0.056 0.000 1.179 385 Y CB 0.230 38.712 38.460 0.036 0.000 0.998 385 Y HN 0.324 nan 8.280 nan 0.000 0.532 386 K N -0.254 120.276 120.400 0.216 0.000 2.057 386 K HA -0.209 4.111 4.320 0.001 0.000 0.207 386 K C 1.947 178.646 176.600 0.165 0.000 1.049 386 K CA 1.550 57.941 56.287 0.173 0.000 0.931 386 K CB -0.468 32.099 32.500 0.113 0.000 0.714 386 K HN 0.186 nan 8.250 nan 0.000 0.440 387 L N 1.499 122.785 121.223 0.105 0.000 2.093 387 L HA -0.119 4.222 4.340 0.001 0.000 0.208 387 L C 1.962 178.874 176.870 0.070 0.000 1.085 387 L CA 1.293 56.174 54.840 0.069 0.000 0.755 387 L CB -0.320 41.757 42.059 0.029 0.000 0.904 387 L HN 0.178 nan 8.230 nan 0.000 0.435 388 L N -1.677 119.589 121.223 0.071 0.000 1.989 388 L HA -0.297 4.044 4.340 0.001 0.000 0.211 388 L C 2.543 179.491 176.870 0.130 0.000 1.071 388 L CA 1.963 56.842 54.840 0.065 0.000 0.749 388 L CB -0.496 41.583 42.059 0.033 0.000 0.890 388 L HN 0.409 nan 8.230 nan 0.000 0.431 389 Y N 0.625 120.987 120.300 0.102 0.000 2.128 389 Y HA -0.336 4.214 4.550 0.000 0.000 0.284 389 Y C 2.720 178.690 175.900 0.116 0.000 1.154 389 Y CA 1.987 60.169 58.100 0.137 0.000 1.149 389 Y CB -0.308 38.235 38.460 0.139 0.000 0.976 389 Y HN 0.265 nan 8.280 nan 0.000 0.505 390 Q N -0.458 119.395 119.800 0.088 0.000 2.030 390 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 390 Q C 2.445 178.411 176.000 -0.055 0.000 0.986 390 Q CA 2.381 58.185 55.803 0.002 0.000 0.843 390 Q CB -0.352 28.431 28.738 0.075 0.000 0.904 390 Q HN 0.619 nan 8.270 nan 0.000 0.420 391 S N 0.294 115.981 115.700 -0.021 0.000 2.447 391 S HA -0.068 4.402 4.470 0.001 0.000 0.233 391 S C 1.898 176.468 174.600 -0.049 0.000 1.006 391 S CA 0.549 58.733 58.200 -0.027 0.000 0.957 391 S CB -0.302 62.892 63.200 -0.011 0.000 0.773 391 S HN 0.213 nan 8.310 nan 0.000 0.507 392 L N 0.921 122.098 121.223 -0.077 0.000 2.005 392 L HA -0.023 4.317 4.340 0.001 0.000 0.207 392 L C 2.699 179.514 176.870 -0.091 0.000 1.072 392 L CA 1.009 55.790 54.840 -0.098 0.000 0.744 392 L CB -0.652 41.334 42.059 -0.123 0.000 0.895 392 L HN 0.210 nan 8.230 nan 0.000 0.433 393 V N 0.224 120.045 119.914 -0.155 0.000 2.407 393 V HA -0.266 3.854 4.120 0.001 0.000 0.248 393 V C 2.056 178.118 176.094 -0.052 0.000 1.055 393 V CA 1.722 63.956 62.300 -0.110 0.000 1.049 393 V CB -0.722 30.943 31.823 -0.263 0.000 0.662 393 V HN 0.488 nan 8.190 nan 0.000 0.455 394 N N 0.139 118.807 118.700 -0.053 0.000 2.396 394 N HA -0.015 4.725 4.740 0.001 0.000 0.180 394 N C 1.568 177.068 175.510 -0.016 0.000 1.028 394 N CA 1.384 54.419 53.050 -0.025 0.000 0.893 394 N CB -0.114 38.361 38.487 -0.019 0.000 0.967 394 N HN 0.532 nan 8.380 nan 0.000 0.440 395 A N -0.097 122.710 122.820 -0.021 0.000 2.035 395 A HA 0.288 4.608 4.320 0.001 0.000 0.208 395 A C 1.134 178.712 177.584 -0.009 0.000 1.206 395 A CA -0.193 51.836 52.037 -0.015 0.000 0.773 395 A CB 0.103 19.091 19.000 -0.020 0.000 0.878 395 A HN 0.053 nan 8.150 nan 0.000 0.469 399 P HA 0.812 nan 4.420 nan 0.000 0.298 399 P C -1.131 176.196 177.300 0.046 0.000 1.314 399 P CA -0.716 62.404 63.100 0.034 0.000 0.854 399 P CB 0.853 32.570 31.700 0.028 0.000 1.019 400 I N -1.387 119.214 120.570 0.050 0.000 2.892 400 I HA 0.662 4.833 4.170 0.001 0.000 0.306 400 I C 0.238 176.393 176.117 0.063 0.000 1.078 400 I CA -1.081 60.259 61.300 0.067 0.000 1.032 400 I CB 2.115 40.165 38.000 0.083 0.000 1.229 400 I HN 0.354 nan 8.210 nan 0.000 0.435 401 S N 2.467 118.215 115.700 0.081 0.000 2.589 401 S HA 0.219 4.690 4.470 0.001 0.000 0.265 401 S C 1.066 175.707 174.600 0.069 0.000 1.342 401 S CA -0.557 57.691 58.200 0.080 0.000 1.005 401 S CB 1.486 64.754 63.200 0.113 0.000 0.909 401 S HN 0.559 nan 8.310 nan 0.000 0.555 402 V N 1.898 121.850 119.914 0.063 0.000 2.343 402 V HA -0.202 3.919 4.120 0.001 0.000 0.247 402 V C 2.779 178.909 176.094 0.059 0.000 1.051 402 V CA 2.227 64.558 62.300 0.051 0.000 1.036 402 V CB -1.394 30.457 31.823 0.046 0.000 0.654 402 V HN 0.844 nan 8.190 nan 0.000 0.451 403 Q N 0.025 119.880 119.800 0.091 0.000 2.135 403 Q HA -0.249 4.091 4.340 0.001 0.000 0.204 403 Q C 2.239 178.276 176.000 0.062 0.000 0.981 403 Q CA 2.091 57.956 55.803 0.104 0.000 0.856 403 Q CB -0.306 28.555 28.738 0.204 0.000 0.902 403 Q HN 0.741 nan 8.270 nan 0.000 0.425 404 E N -0.450 119.794 120.200 0.074 0.000 2.158 404 E HA -0.072 4.279 4.350 0.001 0.000 0.191 404 E C 1.759 178.352 176.600 -0.013 0.000 0.982 404 E CA 0.669 57.105 56.400 0.060 0.000 0.823 404 E CB -0.025 29.750 29.700 0.126 0.000 0.766 404 E HN 0.379 nan 8.360 nan 0.000 0.468 405 A N 0.343 123.161 122.820 -0.004 0.000 1.930 405 A HA -0.104 4.216 4.320 0.001 0.000 0.217 405 A C 2.312 179.870 177.584 -0.044 0.000 1.175 405 A CA 1.105 53.122 52.037 -0.033 0.000 0.627 405 A CB -0.460 18.538 19.000 -0.005 0.000 0.815 405 A HN 0.200 nan 8.150 nan 0.000 0.443 406 V N -0.101 119.803 119.914 -0.017 0.000 2.427 406 V HA -0.216 3.905 4.120 0.001 0.000 0.248 406 V C 3.020 179.092 176.094 -0.036 0.000 1.051 406 V CA 1.740 64.030 62.300 -0.016 0.000 1.048 406 V CB -1.180 30.649 31.823 0.010 0.000 0.666 406 V HN 0.601 nan 8.190 nan 0.000 0.456 407 A N 0.021 122.815 122.820 -0.043 0.000 1.902 407 A HA -0.230 4.091 4.320 0.001 0.000 0.217 407 A C 2.399 179.912 177.584 -0.119 0.000 1.181 407 A CA 1.818 53.824 52.037 -0.051 0.000 0.623 407 A CB -0.478 18.515 19.000 -0.010 0.000 0.818 407 A HN 0.493 nan 8.150 nan 0.000 0.443 408 R N -0.395 119.967 120.500 -0.229 0.000 2.073 408 R HA -0.092 4.248 4.340 0.001 0.000 0.234 408 R C 2.584 178.806 176.300 -0.130 0.000 1.134 408 R CA 1.603 57.544 56.100 -0.266 0.000 0.952 408 R CB -0.485 29.646 30.300 -0.281 0.000 0.850 408 R HN 0.509 nan 8.270 nan 0.000 0.433 409 S N 0.723 116.368 115.700 -0.092 0.000 2.374 409 S HA -0.208 4.262 4.470 0.001 0.000 0.227 409 S C 2.069 176.619 174.600 -0.083 0.000 1.037 409 S CA 1.394 59.550 58.200 -0.072 0.000 1.024 409 S CB -0.263 62.910 63.200 -0.046 0.000 0.861 409 S HN 0.506 nan 8.310 nan 0.000 0.456 410 A N 0.992 123.769 122.820 -0.073 0.000 1.883 410 A HA -0.078 4.243 4.320 0.001 0.000 0.217 410 A C 2.347 179.876 177.584 -0.092 0.000 1.186 410 A CA 1.739 53.737 52.037 -0.065 0.000 0.624 410 A CB -0.912 18.063 19.000 -0.042 0.000 0.822 410 A HN 0.364 nan 8.150 nan 0.000 0.444 411 V N -0.052 119.793 119.914 -0.115 0.000 2.427 411 V HA -0.237 3.883 4.120 0.001 0.000 0.248 411 V C 2.378 178.303 176.094 -0.282 0.000 1.051 411 V CA 2.201 64.402 62.300 -0.165 0.000 1.048 411 V CB -0.817 30.935 31.823 -0.118 0.000 0.666 411 V HN 0.625 nan 8.190 nan 0.000 0.456 412 E N -0.017 119.995 120.200 -0.314 0.000 2.072 412 E HA -0.147 4.203 4.350 0.001 0.000 0.190 412 E C 2.307 178.802 176.600 -0.176 0.000 0.982 412 E CA 1.693 57.908 56.400 -0.309 0.000 0.803 412 E CB -0.216 29.348 29.700 -0.226 0.000 0.755 412 E HN 0.587 nan 8.360 nan 0.000 0.453 413 T N 0.968 115.445 114.554 -0.127 0.000 2.821 413 T HA -0.099 4.251 4.350 0.001 0.000 0.267 413 T C 2.030 176.677 174.700 -0.088 0.000 1.046 413 T CA 1.019 63.066 62.100 -0.088 0.000 1.139 413 T CB -0.179 68.650 68.868 -0.066 0.000 0.871 413 T HN 0.207 nan 8.240 nan 0.000 0.454 414 A N 1.674 124.433 122.820 -0.102 0.000 1.940 414 A HA -0.153 4.167 4.320 0.001 0.000 0.219 414 A C 2.346 179.866 177.584 -0.106 0.000 1.176 414 A CA 1.332 53.310 52.037 -0.097 0.000 0.631 414 A CB -0.405 18.534 19.000 -0.101 0.000 0.814 414 A HN 0.295 nan 8.150 nan 0.000 0.446 415 E N -0.468 119.654 120.200 -0.131 0.000 2.152 415 E HA -0.096 4.255 4.350 0.001 0.000 0.192 415 E C 2.331 178.881 176.600 -0.083 0.000 0.983 415 E CA 1.084 57.413 56.400 -0.118 0.000 0.818 415 E CB -0.206 29.405 29.700 -0.149 0.000 0.758 415 E HN 0.547 nan 8.360 nan 0.000 0.467 416 S N 0.664 116.315 115.700 -0.081 0.000 2.355 416 S HA -0.087 4.383 4.470 0.001 0.000 0.222 416 S C 2.019 176.591 174.600 -0.046 0.000 1.031 416 S CA 1.146 59.312 58.200 -0.057 0.000 0.993 416 S CB -0.127 63.040 63.200 -0.055 0.000 0.859 416 S HN 0.400 nan 8.310 nan 0.000 0.453 417 I N -1.994 118.547 120.570 -0.050 0.000 3.883 417 I HA 0.306 4.476 4.170 0.001 0.000 0.326 417 I C -0.303 175.789 176.117 -0.042 0.000 1.283 417 I CA -0.033 61.243 61.300 -0.041 0.000 1.161 417 I CB -0.049 37.928 38.000 -0.038 0.000 1.012 417 I HN 0.039 nan 8.210 nan 0.000 0.421 418 Q N 1.377 121.146 119.800 -0.052 0.000 2.459 418 Q HA -0.152 4.188 4.340 0.001 0.000 0.322 418 Q C 0.340 176.307 176.000 -0.054 0.000 1.427 418 Q CA 0.913 56.683 55.803 -0.054 0.000 0.861 418 Q CB -1.695 27.017 28.738 -0.042 0.000 1.137 418 Q HN 0.780 nan 8.270 nan 0.000 0.394 419 A N -0.028 122.756 122.820 -0.060 0.000 2.425 419 A HA 0.352 4.673 4.320 0.001 0.000 0.242 419 A C 1.318 178.868 177.584 -0.058 0.000 1.077 419 A CA 0.532 52.536 52.037 -0.054 0.000 0.781 419 A CB 0.510 19.477 19.000 -0.055 0.000 1.020 419 A HN 0.384 nan 8.150 nan 0.000 0.494 420 S N -0.088 115.584 115.700 -0.047 0.000 2.425 420 S HA 0.209 4.679 4.470 0.001 0.000 0.225 420 S C 0.327 174.899 174.600 -0.046 0.000 1.024 420 S CA 0.734 58.907 58.200 -0.045 0.000 0.951 420 S CB -0.378 62.803 63.200 -0.033 0.000 0.796 420 S HN 0.514 nan 8.310 nan 0.000 0.498 421 L N 0.500 121.697 121.223 -0.043 0.000 2.466 421 L HA 0.539 4.879 4.340 0.001 0.000 0.258 421 L C -1.379 175.467 176.870 -0.040 0.000 0.973 421 L CA -0.508 54.309 54.840 -0.039 0.000 0.826 421 L CB 2.255 44.297 42.059 -0.029 0.000 1.372 421 L HN 0.002 nan 8.230 nan 0.000 0.409 422 I N 3.303 123.851 120.570 -0.037 0.000 2.328 422 I HA 0.360 4.530 4.170 0.001 0.000 0.287 422 I C -0.340 175.760 176.117 -0.027 0.000 1.012 422 I CA -0.321 60.959 61.300 -0.033 0.000 1.195 422 I CB 1.264 39.245 38.000 -0.031 0.000 1.350 422 I HN 0.356 nan 8.210 nan 0.000 0.464 423 I N 6.151 126.704 120.570 -0.029 0.000 2.352 423 I HA 0.354 4.524 4.170 0.001 0.000 0.290 423 I C 0.465 176.562 176.117 -0.032 0.000 1.036 423 I CA -0.141 61.139 61.300 -0.033 0.000 1.336 423 I CB 1.134 39.109 38.000 -0.042 0.000 1.407 423 I HN 0.596 nan 8.210 nan 0.000 0.497 424 A N 8.435 131.234 122.820 -0.035 0.000 2.293 424 A HA 0.622 4.942 4.320 0.001 0.000 0.312 424 A C -0.375 177.176 177.584 -0.055 0.000 1.309 424 A CA -0.593 51.422 52.037 -0.037 0.000 0.839 424 A CB 0.371 19.351 19.000 -0.034 0.000 1.155 424 A HN 0.690 nan 8.150 nan 0.000 0.501 425 L N 2.153 123.328 121.223 -0.080 0.000 2.361 425 L HA 0.547 4.887 4.340 0.001 0.000 0.278 425 L C 0.451 177.241 176.870 -0.132 0.000 1.113 425 L CA -0.037 54.727 54.840 -0.127 0.000 0.849 425 L CB 0.858 42.794 42.059 -0.205 0.000 1.155 425 L HN 0.655 nan 8.230 nan 0.000 0.452 426 T N 0.716 115.240 114.554 -0.049 0.000 3.172 426 T HA 0.164 4.515 4.350 0.001 0.000 0.320 426 T C 0.239 174.953 174.700 0.023 0.000 1.085 426 T CA -0.438 61.651 62.100 -0.019 0.000 1.052 426 T CB 1.876 70.743 68.868 -0.003 0.000 1.107 426 T HN 0.722 nan 8.240 nan 0.000 0.458 427 E N 2.057 122.271 120.200 0.024 0.000 2.102 427 E HA 0.022 4.372 4.350 0.001 0.000 0.190 427 E C 2.048 178.665 176.600 0.028 0.000 0.971 427 E CA 2.160 58.574 56.400 0.024 0.000 0.821 427 E CB 0.113 29.817 29.700 0.007 0.000 0.777 427 E HN 0.774 nan 8.360 nan 0.000 0.460 428 T N -4.184 110.402 114.554 0.054 0.000 3.031 428 T HA 0.300 4.650 4.350 0.001 0.000 0.254 428 T C 1.575 176.326 174.700 0.085 0.000 1.060 428 T CA 0.741 62.884 62.100 0.072 0.000 1.135 428 T CB 0.477 69.399 68.868 0.090 0.000 0.896 428 T HN 0.285 nan 8.240 nan 0.000 0.472 429 G N -0.167 108.685 108.800 0.087 0.000 2.229 429 G HA2 -0.267 3.693 3.960 0.001 0.000 0.189 429 G HA3 -0.267 3.693 3.960 0.001 0.000 0.189 429 G C 0.429 175.373 174.900 0.073 0.000 1.000 429 G CA 0.369 45.507 45.100 0.064 0.000 0.663 429 G HN 0.431 nan 8.290 nan 0.000 0.493 430 Y N 2.289 122.590 120.300 0.001 0.000 2.097 430 Y HA -0.124 4.426 4.550 0.000 0.000 0.282 430 Y C 2.886 178.786 175.900 0.001 0.000 1.152 430 Y CA 3.154 61.258 58.100 0.006 0.000 1.136 430 Y CB -0.582 37.891 38.460 0.021 0.000 0.975 430 Y HN 0.225 nan 8.280 nan 0.000 0.498 431 T N 0.816 115.306 114.554 -0.106 0.000 2.720 431 T HA -0.226 4.125 4.350 0.001 0.000 0.268 431 T C 2.115 176.721 174.700 -0.157 0.000 1.037 431 T CA 1.643 63.641 62.100 -0.170 0.000 1.144 431 T CB -0.884 67.963 68.868 -0.035 0.000 0.864 431 T HN 0.496 nan 8.240 nan 0.000 0.444 432 A N 1.564 124.319 122.820 -0.108 0.000 1.933 432 A HA -0.085 4.235 4.320 0.001 0.000 0.218 432 A C 2.398 179.878 177.584 -0.173 0.000 1.175 432 A CA 1.339 53.314 52.037 -0.103 0.000 0.628 432 A CB -0.486 18.473 19.000 -0.070 0.000 0.814 432 A HN 0.385 nan 8.150 nan 0.000 0.444 433 R N -0.693 119.661 120.500 -0.243 0.000 2.081 433 R HA -0.024 4.316 4.340 0.001 0.000 0.235 433 R C 2.092 178.268 176.300 -0.206 0.000 1.131 433 R CA 1.318 57.220 56.100 -0.331 0.000 0.960 433 R CB -0.477 29.674 30.300 -0.248 0.000 0.856 433 R HN 0.509 nan 8.270 nan 0.000 0.436 434 L N 0.396 121.470 121.223 -0.249 0.000 1.989 434 L HA -0.248 4.092 4.340 0.001 0.000 0.211 434 L C 2.350 179.254 176.870 0.056 0.000 1.071 434 L CA 1.534 56.288 54.840 -0.143 0.000 0.749 434 L CB -0.388 41.510 42.059 -0.268 0.000 0.890 434 L HN 0.210 nan 8.230 nan 0.000 0.431 435 I N -0.356 120.224 120.570 0.018 0.000 2.142 435 I HA -0.291 3.879 4.170 0.001 0.000 0.240 435 I C 2.793 178.977 176.117 0.112 0.000 1.078 435 I CA 1.268 62.623 61.300 0.092 0.000 1.343 435 I CB -0.529 37.484 38.000 0.023 0.000 1.046 435 I HN 0.202 nan 8.210 nan 0.000 0.405 436 A N 0.766 123.603 122.820 0.028 0.000 1.948 436 A HA -0.329 3.992 4.320 0.001 0.000 0.220 436 A C 2.356 179.979 177.584 0.066 0.000 1.177 436 A CA 2.338 54.403 52.037 0.046 0.000 0.636 436 A CB -0.713 18.288 19.000 0.001 0.000 0.815 436 A HN 0.438 nan 8.150 nan 0.000 0.449 437 K N -1.601 118.803 120.400 0.008 0.000 2.103 437 K HA -0.183 4.137 4.320 0.001 0.000 0.207 437 K C 1.185 177.638 176.600 -0.245 0.000 1.048 437 K CA 1.796 58.004 56.287 -0.131 0.000 0.930 437 K CB -0.341 32.008 32.500 -0.251 0.000 0.716 437 K HN 0.584 nan 8.250 nan 0.000 0.444 438 Y N 0.626 120.988 120.300 0.103 0.000 2.471 438 Y HA 0.148 4.699 4.550 0.001 0.000 0.286 438 Y C -0.212 175.828 175.900 0.233 0.000 1.188 438 Y CA -0.161 58.053 58.100 0.190 0.000 1.286 438 Y CB 0.356 38.986 38.460 0.285 0.000 1.072 438 Y HN -0.072 nan 8.280 nan 0.000 0.517 439 K N 0.605 121.144 120.400 0.232 0.000 4.040 439 K HA -0.183 4.137 4.320 0.001 0.000 0.279 439 K C -2.815 173.951 176.600 0.278 0.000 0.890 439 K CA 0.130 56.556 56.287 0.233 0.000 0.782 439 K CB -1.106 31.520 32.500 0.211 0.000 1.613 439 K HN 0.260 nan 8.250 nan 0.000 0.440 440 P HA 0.016 nan 4.420 nan 0.000 0.272 440 P C 0.542 177.683 177.300 -0.264 0.000 1.230 440 P CA -0.054 63.038 63.100 -0.014 0.000 0.788 440 P CB 1.326 33.001 31.700 -0.042 0.000 0.949 441 S N 0.061 115.417 115.700 -0.573 0.000 2.453 441 S HA -0.038 4.432 4.470 0.001 0.000 0.231 441 S C 1.112 175.380 174.600 -0.553 0.000 1.005 441 S CA 0.207 57.710 58.200 -1.162 0.000 0.949 441 S CB -1.239 61.420 63.200 -0.902 0.000 0.774 441 S HN 0.697 nan 8.310 nan 0.000 0.510 442 C N 1.274 120.396 119.300 -0.296 0.000 2.358 442 C HA 0.759 5.220 4.460 0.001 0.000 0.354 442 C C 0.639 175.569 174.990 -0.100 0.000 1.183 442 C CA -0.886 58.034 59.018 -0.164 0.000 2.150 442 C CB 0.356 28.024 27.740 -0.120 0.000 2.361 442 C HN 0.295 nan 8.230 nan 0.000 0.535 443 T N 1.974 116.494 114.554 -0.057 0.000 2.932 443 T HA 0.303 4.653 4.350 0.001 0.000 0.312 443 T C -0.018 174.674 174.700 -0.014 0.000 1.071 443 T CA 0.464 62.553 62.100 -0.018 0.000 1.128 443 T CB 0.014 68.883 68.868 0.001 0.000 0.984 443 T HN 0.570 nan 8.240 nan 0.000 0.549 444 I N 3.126 123.701 120.570 0.007 0.000 2.312 444 I HA 0.259 4.430 4.170 0.001 0.000 0.290 444 I C -0.410 175.716 176.117 0.014 0.000 1.008 444 I CA -0.694 60.610 61.300 0.006 0.000 1.226 444 I CB 1.137 39.145 38.000 0.013 0.000 1.371 444 I HN 0.302 nan 8.210 nan 0.000 0.468 445 L N 7.668 128.890 121.223 -0.001 0.000 2.259 445 L HA 0.610 4.950 4.340 0.001 0.000 0.288 445 L C 0.199 177.063 176.870 -0.009 0.000 1.051 445 L CA -0.127 54.712 54.840 -0.001 0.000 0.824 445 L CB 0.602 42.654 42.059 -0.012 0.000 1.206 445 L HN 0.658 nan 8.230 nan 0.000 0.429 446 A N 6.682 129.502 122.820 0.001 0.000 2.290 446 A HA 0.709 5.030 4.320 0.001 0.000 0.310 446 A C -0.856 176.724 177.584 -0.008 0.000 1.202 446 A CA -0.519 51.515 52.037 -0.005 0.000 0.837 446 A CB 0.292 19.297 19.000 0.008 0.000 1.139 446 A HN 0.707 nan 8.150 nan 0.000 0.509 447 L N 2.062 123.272 121.223 -0.022 0.000 2.333 447 L HA 0.702 5.042 4.340 0.001 0.000 0.280 447 L C 0.142 177.025 176.870 0.023 0.000 1.004 447 L CA -0.338 54.490 54.840 -0.020 0.000 0.820 447 L CB 1.757 43.767 42.059 -0.082 0.000 1.247 447 L HN 0.649 nan 8.230 nan 0.000 0.416 448 S N 0.585 116.316 115.700 0.051 0.000 2.541 448 S HA 0.671 5.142 4.470 0.001 0.000 0.271 448 S C 0.360 175.011 174.600 0.085 0.000 1.133 448 S CA 0.151 58.397 58.200 0.078 0.000 0.876 448 S CB 2.056 65.279 63.200 0.038 0.000 1.105 448 S HN 0.685 nan 8.310 nan 0.000 0.470 449 A N 1.957 124.831 122.820 0.090 0.000 2.081 449 A HA 0.325 4.645 4.320 0.001 0.000 0.214 449 A C 1.138 178.726 177.584 0.006 0.000 1.158 449 A CA 0.603 52.672 52.037 0.053 0.000 0.724 449 A CB -0.389 18.631 19.000 0.033 0.000 0.826 449 A HN 0.822 nan 8.150 nan 0.000 0.463 450 S N 0.308 116.001 115.700 -0.011 0.000 2.488 450 S HA 0.061 4.531 4.470 0.001 0.000 0.278 450 S C 0.721 175.292 174.600 -0.048 0.000 1.259 450 S CA -0.291 57.877 58.200 -0.053 0.000 1.061 450 S CB 0.360 63.515 63.200 -0.076 0.000 0.910 450 S HN 0.424 nan 8.310 nan 0.000 0.491 451 D N 3.267 123.631 120.400 -0.061 0.000 2.183 451 D HA -0.108 4.533 4.640 0.001 0.000 0.203 451 D C 2.002 178.269 176.300 -0.055 0.000 0.969 451 D CA 1.531 55.505 54.000 -0.044 0.000 0.842 451 D CB 0.066 40.843 40.800 -0.037 0.000 0.957 451 D HN 0.732 nan 8.370 nan 0.000 0.484 452 S N -0.636 115.003 115.700 -0.102 0.000 2.371 452 S HA -0.113 4.358 4.470 0.001 0.000 0.224 452 S C 2.069 176.628 174.600 -0.067 0.000 1.029 452 S CA 1.458 59.593 58.200 -0.107 0.000 0.978 452 S CB -0.572 62.520 63.200 -0.178 0.000 0.833 452 S HN 0.069 nan 8.310 nan 0.000 0.466 453 T N 2.399 116.920 114.554 -0.055 0.000 2.635 453 T HA -0.078 4.273 4.350 0.001 0.000 0.267 453 T C 1.867 176.580 174.700 0.021 0.000 1.040 453 T CA 1.659 63.758 62.100 -0.003 0.000 1.156 453 T CB -0.799 68.070 68.868 0.002 0.000 0.863 453 T HN 0.261 nan 8.240 nan 0.000 0.430 454 V N 0.914 120.835 119.914 0.011 0.000 2.392 454 V HA -0.151 3.970 4.120 0.001 0.000 0.249 454 V C 2.304 178.421 176.094 0.039 0.000 1.059 454 V CA 1.726 64.041 62.300 0.025 0.000 1.051 454 V CB -0.378 31.454 31.823 0.015 0.000 0.658 454 V HN 0.387 nan 8.190 nan 0.000 0.455 455 K N -1.816 118.598 120.400 0.023 0.000 2.400 455 K HA 0.033 4.353 4.320 0.001 0.000 0.194 455 K C 1.859 178.500 176.600 0.067 0.000 1.033 455 K CA 0.631 56.941 56.287 0.038 0.000 1.021 455 K CB -0.110 32.394 32.500 0.007 0.000 0.808 455 K HN 0.442 nan 8.250 nan 0.000 0.505 456 C N -0.106 119.226 119.300 0.053 0.000 2.518 456 C HA 0.160 4.620 4.460 0.001 0.000 0.283 456 C C 1.893 177.097 174.990 0.356 0.000 1.351 456 C CA -0.032 59.054 59.018 0.113 0.000 1.745 456 C CB -0.351 27.397 27.740 0.013 0.000 2.107 456 C HN 0.409 nan 8.230 nan 0.000 0.502 457 L N 1.885 123.254 121.223 0.243 0.000 2.549 457 L HA -0.113 4.228 4.340 0.001 0.000 0.230 457 L C 1.946 179.008 176.870 0.320 0.000 1.162 457 L CA 0.633 55.637 54.840 0.273 0.000 0.834 457 L CB -0.723 41.422 42.059 0.142 0.000 0.947 457 L HN 0.476 nan 8.230 nan 0.000 0.452 458 N N 0.232 119.104 118.700 0.287 0.000 2.205 458 N HA -0.149 4.591 4.740 0.001 0.000 0.186 458 N C 1.882 177.544 175.510 0.254 0.000 1.015 458 N CA 1.787 54.952 53.050 0.191 0.000 0.862 458 N CB -0.161 38.420 38.487 0.156 0.000 0.986 458 N HN 0.394 nan 8.380 nan 0.000 0.429 459 V N -1.503 118.537 119.914 0.210 0.000 2.809 459 V HA -0.052 4.068 4.120 0.001 0.000 0.256 459 V C 0.379 176.473 176.094 -0.000 0.000 1.080 459 V CA 0.893 63.184 62.300 -0.015 0.000 1.102 459 V CB -1.039 30.643 31.823 -0.235 0.000 0.705 459 V HN 0.124 nan 8.190 nan 0.000 0.475 460 H N 2.089 121.249 119.070 0.150 0.000 2.646 460 H HA 0.515 5.072 4.556 0.001 0.000 0.325 460 H C 0.823 176.168 175.328 0.028 0.000 1.075 460 H CA -0.450 55.650 56.048 0.086 0.000 1.421 460 H CB 0.582 30.397 29.762 0.088 0.000 1.461 460 H HN 0.527 nan 8.280 nan 0.000 0.525 461 R N 1.758 122.245 120.500 -0.021 0.000 2.694 461 R HA 0.271 4.611 4.340 0.001 0.000 0.268 461 R C 0.717 176.939 176.300 -0.129 0.000 1.061 461 R CA 0.343 56.286 56.100 -0.262 0.000 1.133 461 R CB 0.211 30.418 30.300 -0.154 0.000 1.020 461 R HN 0.849 nan 8.270 nan 0.000 0.475 462 G N 0.811 109.485 108.800 -0.210 0.000 2.168 462 G HA2 -0.263 3.697 3.960 0.001 0.000 0.263 462 G HA3 -0.263 3.697 3.960 0.001 0.000 0.263 462 G C -0.174 174.764 174.900 0.064 0.000 0.977 462 G CA 0.258 45.344 45.100 -0.022 0.000 0.659 462 G HN 0.503 nan 8.290 nan 0.000 0.533 463 V N 0.857 120.860 119.914 0.148 0.000 2.398 463 V HA 0.774 4.894 4.120 0.001 0.000 0.286 463 V C 0.421 176.653 176.094 0.231 0.000 1.026 463 V CA 0.275 62.678 62.300 0.173 0.000 0.868 463 V CB 1.683 33.603 31.823 0.162 0.000 0.982 463 V HN 0.549 nan 8.190 nan 0.000 0.443 464 T N 4.419 119.051 114.554 0.129 0.000 2.893 464 T HA 0.596 4.946 4.350 0.001 0.000 0.291 464 T C -0.736 173.994 174.700 0.049 0.000 1.028 464 T CA -0.288 61.864 62.100 0.087 0.000 0.995 464 T CB 1.192 70.106 68.868 0.077 0.000 1.051 464 T HN 0.726 nan 8.240 nan 0.000 0.470 465 C N 4.224 123.544 119.300 0.033 0.000 2.561 465 C HA 0.746 5.206 4.460 0.001 0.000 0.319 465 C C -0.389 174.610 174.990 0.014 0.000 1.198 465 C CA -0.914 58.118 59.018 0.024 0.000 1.665 465 C CB 0.492 28.250 27.740 0.030 0.000 2.258 465 C HN 0.860 nan 8.230 nan 0.000 0.493 466 I N 1.954 122.529 120.570 0.009 0.000 2.436 466 I HA 0.357 4.528 4.170 0.001 0.000 0.289 466 I C -0.015 176.110 176.117 0.013 0.000 1.010 466 I CA -0.436 60.868 61.300 0.007 0.000 1.098 466 I CB 1.312 39.311 38.000 -0.002 0.000 1.266 466 I HN 0.569 nan 8.210 nan 0.000 0.434 467 K N 5.183 125.593 120.400 0.016 0.000 2.322 467 K HA 0.516 4.836 4.320 0.001 0.000 0.283 467 K C -1.043 175.577 176.600 0.033 0.000 1.042 467 K CA -0.213 56.089 56.287 0.024 0.000 0.958 467 K CB 0.944 33.455 32.500 0.019 0.000 0.984 467 K HN 0.407 nan 8.250 nan 0.000 0.473 468 V N 2.647 122.595 119.914 0.057 0.000 3.046 468 V HA 0.481 4.602 4.120 0.001 0.000 0.316 468 V C 0.755 176.917 176.094 0.113 0.000 1.104 468 V CA -0.707 61.644 62.300 0.085 0.000 1.006 468 V CB 1.898 33.782 31.823 0.103 0.000 1.058 468 V HN 1.033 nan 8.190 nan 0.000 0.440 469 G N 0.129 109.006 108.800 0.127 0.000 2.510 469 G HA2 0.537 4.497 3.960 0.001 0.000 0.280 469 G HA3 0.537 4.497 3.960 0.001 0.000 0.280 469 G C 0.199 175.187 174.900 0.146 0.000 1.386 469 G CA 0.133 45.298 45.100 0.108 0.000 1.047 469 G HN 1.074 nan 8.290 nan 0.000 0.527 470 S N -0.391 115.350 115.700 0.067 0.000 2.423 470 S HA 0.520 4.991 4.470 0.001 0.000 0.302 470 S C -0.144 174.486 174.600 0.050 0.000 1.143 470 S CA -0.526 57.667 58.200 -0.013 0.000 1.080 470 S CB -0.791 62.386 63.200 -0.038 0.000 1.081 470 S HN 0.729 nan 8.310 nan 0.000 0.522 471 F N 0.814 120.776 119.950 0.020 0.000 2.415 471 F HA 0.685 5.212 4.527 0.000 0.000 0.348 471 F C 0.899 176.719 175.800 0.034 0.000 1.119 471 F CA -1.027 56.989 58.000 0.027 0.000 1.069 471 F CB 0.848 39.868 39.000 0.034 0.000 1.124 471 F HN 0.420 nan 8.300 nan 0.000 0.472 472 Q N 3.331 123.214 119.800 0.138 0.000 2.269 472 Q HA 0.432 4.772 4.340 0.001 0.000 0.201 472 Q C 0.743 176.824 176.000 0.135 0.000 0.946 472 Q CA 0.942 56.786 55.803 0.068 0.000 0.877 472 Q CB -0.411 28.356 28.738 0.049 0.000 0.963 472 Q HN 1.145 nan 8.270 nan 0.000 0.472 473 G N -3.170 105.768 108.800 0.231 0.000 2.619 473 G HA2 0.505 4.465 3.960 0.001 0.000 0.296 473 G HA3 0.505 4.465 3.960 0.001 0.000 0.296 473 G C 0.838 175.900 174.900 0.269 0.000 1.334 473 G CA 0.519 45.743 45.100 0.208 0.000 0.934 473 G HN 0.452 nan 8.290 nan 0.000 0.476 474 T N -0.748 113.910 114.554 0.173 0.000 2.867 474 T HA -0.039 4.312 4.350 0.001 0.000 0.268 474 T C 1.648 176.340 174.700 -0.014 0.000 1.057 474 T CA 2.169 64.315 62.100 0.076 0.000 1.136 474 T CB -0.352 68.562 68.868 0.077 0.000 0.874 474 T HN 0.549 nan 8.240 nan 0.000 0.466 475 D N 0.734 121.141 120.400 0.013 0.000 2.103 475 D HA -0.103 4.538 4.640 0.001 0.000 0.190 475 D C 1.915 178.203 176.300 -0.019 0.000 0.997 475 D CA 1.274 55.272 54.000 -0.004 0.000 0.833 475 D CB -0.212 40.593 40.800 0.009 0.000 0.961 475 D HN 0.577 nan 8.370 nan 0.000 0.447 476 I N -0.303 120.267 120.570 -0.001 0.000 2.179 476 I HA -0.216 3.954 4.170 0.001 0.000 0.242 476 I C 2.567 178.653 176.117 -0.051 0.000 1.088 476 I CA 0.696 61.993 61.300 -0.005 0.000 1.357 476 I CB -0.376 37.645 38.000 0.035 0.000 1.051 476 I HN 0.043 nan 8.210 nan 0.000 0.409 477 V N 1.275 121.113 119.914 -0.126 0.000 2.407 477 V HA -0.243 3.877 4.120 0.001 0.000 0.248 477 V C 2.269 178.246 176.094 -0.196 0.000 1.055 477 V CA 1.870 64.024 62.300 -0.242 0.000 1.049 477 V CB -0.154 31.259 31.823 -0.682 0.000 0.662 477 V HN 0.289 nan 8.190 nan 0.000 0.455 478 I N -0.364 120.106 120.570 -0.165 0.000 2.252 478 I HA -0.212 3.959 4.170 0.001 0.000 0.245 478 I C 2.729 178.803 176.117 -0.071 0.000 1.102 478 I CA 1.907 63.141 61.300 -0.109 0.000 1.385 478 I CB -0.455 37.498 38.000 -0.079 0.000 1.064 478 I HN 0.209 nan 8.210 nan 0.000 0.414 479 R N 0.808 121.274 120.500 -0.056 0.000 2.092 479 R HA -0.145 4.196 4.340 0.001 0.000 0.231 479 R C 2.092 178.372 176.300 -0.034 0.000 1.119 479 R CA 1.427 57.505 56.100 -0.037 0.000 0.970 479 R CB -0.087 30.198 30.300 -0.025 0.000 0.864 479 R HN 0.348 nan 8.270 nan 0.000 0.440 480 N N 0.297 118.973 118.700 -0.039 0.000 2.244 480 N HA -0.111 4.630 4.740 0.001 0.000 0.183 480 N C 1.396 176.885 175.510 -0.034 0.000 1.016 480 N CA 1.343 54.375 53.050 -0.031 0.000 0.866 480 N CB -0.175 38.296 38.487 -0.027 0.000 0.980 480 N HN 0.257 nan 8.380 nan 0.000 0.430 481 A N 0.597 123.387 122.820 -0.050 0.000 1.968 481 A HA 0.047 4.367 4.320 0.001 0.000 0.217 481 A C 2.267 179.831 177.584 -0.034 0.000 1.169 481 A CA 0.548 52.557 52.037 -0.046 0.000 0.638 481 A CB -0.407 18.554 19.000 -0.065 0.000 0.812 481 A HN 0.175 nan 8.150 nan 0.000 0.446 482 I N -0.172 120.378 120.570 -0.034 0.000 2.252 482 I HA -0.181 3.989 4.170 0.001 0.000 0.245 482 I C 2.250 178.356 176.117 -0.019 0.000 1.102 482 I CA 1.048 62.332 61.300 -0.026 0.000 1.385 482 I CB -0.215 37.770 38.000 -0.026 0.000 1.064 482 I HN 0.256 nan 8.210 nan 0.000 0.414 483 E N 0.758 120.948 120.200 -0.018 0.000 2.110 483 E HA -0.171 4.180 4.350 0.001 0.000 0.193 483 E C 2.248 178.842 176.600 -0.010 0.000 0.988 483 E CA 1.279 57.671 56.400 -0.012 0.000 0.804 483 E CB -0.263 29.430 29.700 -0.011 0.000 0.745 483 E HN 0.547 nan 8.360 nan 0.000 0.458 484 I N 1.074 121.637 120.570 -0.012 0.000 2.315 484 I HA -0.200 3.970 4.170 0.001 0.000 0.248 484 I C 2.432 178.545 176.117 -0.008 0.000 1.117 484 I CA 0.899 62.194 61.300 -0.009 0.000 1.404 484 I CB -0.264 37.731 38.000 -0.009 0.000 1.071 484 I HN -0.011 nan 8.210 nan 0.000 0.419 485 A N 0.845 123.658 122.820 -0.011 0.000 1.902 485 A HA -0.226 4.094 4.320 0.001 0.000 0.217 485 A C 2.289 179.868 177.584 -0.008 0.000 1.181 485 A CA 1.633 53.664 52.037 -0.010 0.000 0.623 485 A CB -0.409 18.582 19.000 -0.014 0.000 0.818 485 A HN 0.289 nan 8.150 nan 0.000 0.443 486 K N -0.493 119.902 120.400 -0.009 0.000 2.057 486 K HA -0.186 4.135 4.320 0.001 0.000 0.207 486 K C 2.326 178.923 176.600 -0.005 0.000 1.049 486 K CA 1.808 58.090 56.287 -0.008 0.000 0.931 486 K CB -0.205 32.290 32.500 -0.008 0.000 0.714 486 K HN 0.622 nan 8.250 nan 0.000 0.440 487 Q N 0.058 119.856 119.800 -0.004 0.000 2.124 487 Q HA -0.084 4.257 4.340 0.001 0.000 0.202 487 Q C 1.626 177.626 176.000 -0.001 0.000 0.977 487 Q CA 1.161 56.963 55.803 -0.002 0.000 0.850 487 Q CB 0.086 28.823 28.738 -0.002 0.000 0.901 487 Q HN 0.186 nan 8.270 nan 0.000 0.429 488 R N 0.605 121.104 120.500 -0.001 0.000 2.317 488 R HA 0.076 4.417 4.340 0.001 0.000 0.208 488 R C 0.015 176.316 176.300 0.001 0.000 0.914 488 R CA -0.033 56.068 56.100 0.001 0.000 1.060 488 R CB -0.132 30.169 30.300 0.002 0.000 1.015 488 R HN 0.353 nan 8.270 nan 0.000 0.498 489 N N 0.582 119.281 118.700 -0.001 0.000 2.740 489 N HA -0.203 4.537 4.740 0.001 0.000 0.248 489 N C 0.317 175.826 175.510 -0.001 0.000 1.062 489 N CA 0.247 53.296 53.050 -0.001 0.000 0.704 489 N CB -0.450 38.038 38.487 0.000 0.000 0.968 489 N HN 0.297 nan 8.380 nan 0.000 0.547 490 M N -0.471 119.127 119.600 -0.003 0.000 2.514 490 M HA 0.241 4.721 4.480 0.001 0.000 0.258 490 M C 0.614 176.908 176.300 -0.010 0.000 1.159 490 M CA 0.773 56.071 55.300 -0.004 0.000 1.116 490 M CB 0.771 33.370 32.600 -0.002 0.000 1.333 490 M HN 0.352 nan 8.290 nan 0.000 0.487 491 A N 0.062 122.876 122.820 -0.011 0.000 2.594 491 A HA 0.866 5.187 4.320 0.001 0.000 0.291 491 A C -0.991 176.586 177.584 -0.012 0.000 1.105 491 A CA -0.540 51.488 52.037 -0.014 0.000 0.694 491 A CB 1.128 20.117 19.000 -0.017 0.000 1.291 491 A HN 0.080 nan 8.150 nan 0.000 0.410 492 K N -0.418 119.975 120.400 -0.013 0.000 2.480 492 K HA 0.939 5.259 4.320 0.001 0.000 0.258 492 K C -0.113 176.480 176.600 -0.012 0.000 0.990 492 K CA -0.280 56.001 56.287 -0.011 0.000 0.857 492 K CB 0.671 33.165 32.500 -0.010 0.000 1.384 492 K HN 2.408 nan 8.250 nan 0.000 0.446 493 V N 0.501 120.409 119.914 -0.010 0.000 2.557 493 V HA 0.425 4.546 4.120 0.001 0.000 0.301 493 V C 1.603 177.691 176.094 -0.011 0.000 1.026 493 V CA 1.956 64.250 62.300 -0.010 0.000 1.137 493 V CB -0.468 31.350 31.823 -0.008 0.000 0.917 493 V HN 2.304 nan 8.190 nan 0.000 0.484 494 G N 3.115 111.908 108.800 -0.012 0.000 2.254 494 G HA2 -0.177 3.783 3.960 0.001 0.000 0.225 494 G HA3 -0.177 3.783 3.960 0.001 0.000 0.225 494 G C 0.124 175.014 174.900 -0.015 0.000 1.003 494 G CA 0.188 45.281 45.100 -0.013 0.000 0.622 494 G HN 0.881 nan 8.290 nan 0.000 0.507 495 D N 1.734 122.124 120.400 -0.017 0.000 2.372 495 D HA 0.512 5.153 4.640 0.001 0.000 0.243 495 D C 0.824 177.111 176.300 -0.022 0.000 1.121 495 D CA 0.718 54.706 54.000 -0.020 0.000 0.898 495 D CB 1.273 42.060 40.800 -0.021 0.000 1.202 495 D HN 0.408 nan 8.370 nan 0.000 0.428 496 S N 0.165 115.850 115.700 -0.025 0.000 2.585 496 S HA 0.610 5.080 4.470 0.001 0.000 0.277 496 S C -0.019 174.563 174.600 -0.030 0.000 1.241 496 S CA -0.898 57.286 58.200 -0.027 0.000 1.041 496 S CB 1.645 64.828 63.200 -0.028 0.000 0.987 496 S HN 0.198 nan 8.310 nan 0.000 0.512 497 V N 2.655 122.552 119.914 -0.029 0.000 2.789 497 V HA 0.457 4.578 4.120 0.001 0.000 0.311 497 V C -0.679 175.396 176.094 -0.031 0.000 1.073 497 V CA -0.762 61.519 62.300 -0.031 0.000 0.921 497 V CB 1.844 33.649 31.823 -0.029 0.000 1.009 497 V HN 0.838 nan 8.190 nan 0.000 0.426 498 I N 3.595 124.145 120.570 -0.033 0.000 2.339 498 I HA 0.699 4.869 4.170 0.001 0.000 0.290 498 I C 0.246 176.348 176.117 -0.026 0.000 0.994 498 I CA -0.453 60.829 61.300 -0.030 0.000 1.191 498 I CB 1.706 39.684 38.000 -0.037 0.000 1.343 498 I HN 0.683 nan 8.210 nan 0.000 0.458 499 A N 7.768 130.577 122.820 -0.018 0.000 2.317 499 A HA 0.814 5.134 4.320 0.001 0.000 0.327 499 A C -0.830 176.758 177.584 0.008 0.000 1.178 499 A CA -0.534 51.496 52.037 -0.012 0.000 0.817 499 A CB 1.538 20.529 19.000 -0.014 0.000 1.189 499 A HN 0.783 nan 8.150 nan 0.000 0.489 500 I N 1.790 122.371 120.570 0.019 0.000 2.533 500 I HA 0.538 4.708 4.170 0.001 0.000 0.290 500 I C -1.170 175.007 176.117 0.100 0.000 1.056 500 I CA -0.432 60.896 61.300 0.047 0.000 1.057 500 I CB 1.613 39.624 38.000 0.020 0.000 1.240 500 I HN 0.914 nan 8.210 nan 0.000 0.423 501 H N 4.946 124.028 119.070 0.019 0.000 2.782 501 H HA 0.637 5.193 4.556 0.001 0.000 0.347 501 H C -0.942 174.422 175.328 0.058 0.000 1.038 501 H CA -0.808 55.269 56.048 0.047 0.000 1.255 501 H CB 1.957 31.754 29.762 0.058 0.000 1.623 501 H HN 0.725 nan 8.280 nan 0.000 0.525 502 G N 3.876 112.930 108.800 0.425 0.000 2.588 502 G HA2 0.453 4.413 3.960 0.001 0.000 0.312 502 G HA3 0.453 4.413 3.960 0.001 0.000 0.312 502 G C 1.087 176.230 174.900 0.406 0.000 1.257 502 G CA 0.124 45.429 45.100 0.342 0.000 0.994 502 G HN 0.809 nan 8.290 nan 0.000 0.498 503 I N 1.835 122.599 120.570 0.322 0.000 2.068 503 I HA 0.230 4.400 4.170 0.001 0.000 0.238 503 I C 1.867 178.092 176.117 0.181 0.000 1.046 503 I CA 2.525 63.973 61.300 0.247 0.000 1.306 503 I CB -1.327 36.722 38.000 0.080 0.000 1.023 503 I HN 0.794 nan 8.210 nan 0.000 0.399 504 K N 1.635 122.106 120.400 0.119 0.000 2.347 504 K HA 0.502 4.823 4.320 0.001 0.000 0.262 504 K C 0.699 177.349 176.600 0.084 0.000 1.052 504 K CA 0.106 56.440 56.287 0.078 0.000 0.946 504 K CB -0.154 32.373 32.500 0.043 0.000 1.220 504 K HN 0.757 nan 8.250 nan 0.000 0.450 505 E N 0.916 121.170 120.200 0.090 0.000 2.002 505 E HA -0.227 4.124 4.350 0.001 0.000 0.205 505 E C 0.886 177.515 176.600 0.048 0.000 1.020 505 E CA 1.704 58.200 56.400 0.160 0.000 0.856 505 E CB 0.219 30.032 29.700 0.189 0.000 0.788 505 E HN 0.821 nan 8.360 nan 0.000 0.477 506 E N 0.677 120.696 120.200 -0.301 0.000 2.403 506 E HA 0.059 4.409 4.350 0.001 0.000 0.187 506 E C -0.986 175.488 176.600 -0.210 0.000 1.073 506 E CA -0.224 55.826 56.400 -0.582 0.000 0.888 506 E CB 0.535 29.723 29.700 -0.854 0.000 1.035 506 E HN -0.080 nan 8.360 nan 0.000 0.471 507 V N 1.441 121.306 119.914 -0.082 0.000 2.384 507 V HA 0.383 4.503 4.120 0.001 0.000 0.287 507 V C 0.511 176.610 176.094 0.007 0.000 1.020 507 V CA -0.518 61.761 62.300 -0.034 0.000 0.850 507 V CB 1.008 32.818 31.823 -0.022 0.000 0.987 507 V HN 0.259 nan 8.190 nan 0.000 0.436 508 S N 2.597 118.303 115.700 0.009 0.000 2.572 508 S HA 0.548 5.018 4.470 0.001 0.000 0.279 508 S C 1.309 175.922 174.600 0.022 0.000 1.341 508 S CA 0.414 58.629 58.200 0.025 0.000 1.043 508 S CB 0.343 63.555 63.200 0.021 0.000 0.887 508 S HN 2.021 nan 8.310 nan 0.000 0.516 509 G N 0.897 109.713 108.800 0.027 0.000 2.218 509 G HA2 0.058 4.018 3.960 0.001 0.000 0.216 509 G HA3 0.058 4.018 3.960 0.001 0.000 0.216 509 G C 0.760 175.674 174.900 0.024 0.000 0.994 509 G CA 0.366 45.479 45.100 0.022 0.000 0.637 509 G HN 1.649 nan 8.290 nan 0.000 0.505 510 G N -0.195 108.624 108.800 0.033 0.000 2.553 510 G HA2 0.610 4.571 3.960 0.001 0.000 0.278 510 G HA3 0.610 4.571 3.960 0.001 0.000 0.278 510 G C 0.456 175.377 174.900 0.035 0.000 1.349 510 G CA 0.782 45.903 45.100 0.036 0.000 1.037 510 G HN 1.340 nan 8.290 nan 0.000 0.508 511 T N -0.906 113.666 114.554 0.030 0.000 2.767 511 T HA 0.456 4.806 4.350 0.001 0.000 0.284 511 T C -0.364 174.358 174.700 0.037 0.000 0.973 511 T CA -0.964 61.148 62.100 0.020 0.000 0.996 511 T CB 1.071 69.936 68.868 -0.006 0.000 0.927 511 T HN 0.340 nan 8.240 nan 0.000 0.456 512 N N 2.708 121.432 118.700 0.040 0.000 2.400 512 N HA 0.497 5.238 4.740 0.001 0.000 0.288 512 N C -1.267 174.265 175.510 0.036 0.000 1.024 512 N CA -0.639 52.445 53.050 0.058 0.000 0.894 512 N CB 2.274 40.797 38.487 0.060 0.000 1.173 512 N HN 0.640 nan 8.380 nan 0.000 0.487 513 L N 2.100 123.351 121.223 0.047 0.000 2.356 513 L HA 0.582 4.923 4.340 0.001 0.000 0.277 513 L C -0.841 176.050 176.870 0.034 0.000 0.996 513 L CA -0.410 54.446 54.840 0.027 0.000 0.822 513 L CB 1.654 43.717 42.059 0.007 0.000 1.256 513 L HN 0.522 nan 8.230 nan 0.000 0.413 514 M N 5.546 125.155 119.600 0.014 0.000 2.243 514 M HA 0.461 4.941 4.480 0.001 0.000 0.324 514 M C -1.448 174.852 176.300 -0.001 0.000 1.031 514 M CA -0.551 54.752 55.300 0.006 0.000 0.949 514 M CB 1.043 33.641 32.600 -0.005 0.000 1.615 514 M HN 0.749 nan 8.290 nan 0.000 0.430 515 K N 4.588 124.987 120.400 -0.003 0.000 2.471 515 K HA 0.592 4.912 4.320 0.001 0.000 0.252 515 K C -2.061 174.531 176.600 -0.014 0.000 0.938 515 K CA -0.658 55.624 56.287 -0.008 0.000 0.796 515 K CB 1.985 34.482 32.500 -0.004 0.000 1.161 515 K HN 0.584 nan 8.250 nan 0.000 0.425 516 V N 4.408 124.312 119.914 -0.017 0.000 2.398 516 V HA 0.445 4.566 4.120 0.001 0.000 0.286 516 V C -0.575 175.508 176.094 -0.019 0.000 1.026 516 V CA -0.762 61.526 62.300 -0.020 0.000 0.868 516 V CB 1.553 33.363 31.823 -0.022 0.000 0.982 516 V HN 0.522 nan 8.190 nan 0.000 0.443 517 V N 4.455 124.357 119.914 -0.021 0.000 2.638 517 V HA 0.423 4.544 4.120 0.001 0.000 0.306 517 V C -0.298 175.785 176.094 -0.020 0.000 1.052 517 V CA -0.677 61.611 62.300 -0.019 0.000 0.885 517 V CB 1.867 33.678 31.823 -0.020 0.000 0.999 517 V HN 0.901 nan 8.190 nan 0.000 0.424 518 Q N 3.248 123.037 119.800 -0.017 0.000 2.274 518 Q HA 0.538 4.878 4.340 0.001 0.000 0.256 518 Q C -0.776 175.214 176.000 -0.016 0.000 0.927 518 Q CA -0.547 55.246 55.803 -0.017 0.000 0.939 518 Q CB 1.222 29.951 28.738 -0.015 0.000 1.201 518 Q HN 0.693 nan 8.270 nan 0.000 0.426 519 I N 4.064 124.624 120.570 -0.016 0.000 2.533 519 I HA 0.020 4.190 4.170 0.001 0.000 0.284 519 I C 0.590 176.699 176.117 -0.013 0.000 1.109 519 I CA 0.283 61.574 61.300 -0.015 0.000 1.412 519 I CB 0.493 38.484 38.000 -0.016 0.000 1.396 519 I HN 0.561 nan 8.210 nan 0.000 0.543 520 E N 0.000 120.193 120.200 -0.012 0.000 2.725 520 E HA 0.000 4.350 4.350 0.001 0.000 0.291 520 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 520 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 520 E HN 0.000 nan 8.360 nan 0.000 0.440