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 2xxe_1_A DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVRAX XGSYGDLEGA RAVVLAAGVA QRXPGETRLQ LLDRNAQVFA DATA SEQUENCE QVVPRVLEAA EAVLLVATNP VDVMTQVAYR LSGLPPGRVV GSGTILDTAR DATA SEQUENCE FRALLAEYLR VAPQSVHAYV LGEHGDSEVL VWSSAQVPLE FAEARGAALS DATA SEQUENCE PEDRARIDEG VRRAAYRIIE GKGATYYGIG AGLARLVRAI LTDEKGVYTV DATA SEQUENCE SAFTPEVEGV LEXVSLSLPR ILGAGGVEXG TVYPSLSPEE REALRRSAEI DATA SEQUENCE LKEAAFALGF 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.319 176.300 0.031 0.000 1.140 22 M CA 0.000 55.314 55.300 0.023 0.000 0.988 22 M CB 0.000 32.612 32.600 0.020 0.000 1.302 23 K N 1.215 121.632 120.400 0.028 0.000 2.270 23 K HA 0.858 5.178 4.320 -0.001 0.000 0.255 23 K C -1.374 175.234 176.600 0.013 0.000 0.936 23 K CA -0.524 55.781 56.287 0.030 0.000 0.809 23 K CB 2.471 34.994 32.500 0.038 0.000 1.131 23 K HN 0.245 nan 8.250 nan 0.000 0.427 24 V N 2.494 122.411 119.914 0.005 0.000 2.577 24 V HA 0.510 4.630 4.120 -0.001 0.000 0.303 24 V C -0.045 176.038 176.094 -0.018 0.000 1.042 24 V CA -0.821 61.475 62.300 -0.007 0.000 0.872 24 V CB 1.756 33.575 31.823 -0.008 0.000 0.998 24 V HN 0.943 nan 8.190 nan 0.000 0.423 25 G N 4.225 113.013 108.800 -0.019 0.000 2.388 25 G HA2 0.788 4.748 3.960 -0.001 0.000 0.330 25 G HA3 0.788 4.748 3.960 -0.001 0.000 0.330 25 G C -1.095 173.786 174.900 -0.032 0.000 1.142 25 G CA -0.512 44.572 45.100 -0.028 0.000 0.908 25 G HN 0.601 nan 8.290 nan 0.000 0.473 26 I N 1.564 122.107 120.570 -0.044 0.000 2.439 26 I HA 0.245 4.415 4.170 -0.001 0.000 0.285 26 I C -0.388 175.695 176.117 -0.056 0.000 1.021 26 I CA -0.872 60.400 61.300 -0.046 0.000 1.091 26 I CB 2.364 40.334 38.000 -0.050 0.000 1.242 26 I HN 0.134 nan 8.210 nan 0.000 0.439 27 V N 5.895 125.781 119.914 -0.047 0.000 2.383 27 V HA 0.750 4.870 4.120 -0.001 0.000 0.275 27 V C 0.534 176.602 176.094 -0.044 0.000 1.036 27 V CA 0.163 62.435 62.300 -0.046 0.000 0.889 27 V CB 1.128 32.943 31.823 -0.013 0.000 0.985 27 V HN 1.014 nan 8.190 nan 0.000 0.459 28 G N 3.782 112.552 108.800 -0.049 0.000 3.043 28 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.239 28 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.239 28 G C 0.189 175.052 174.900 -0.062 0.000 1.042 28 G CA 0.047 45.126 45.100 -0.036 0.000 1.189 28 G HN 1.007 nan 8.290 nan 0.000 0.578 29 S N 0.560 116.220 115.700 -0.068 0.000 3.544 29 S HA 0.515 4.985 4.470 -0.001 0.000 0.227 29 S C 1.521 176.054 174.600 -0.111 0.000 1.387 29 S CA 0.938 59.079 58.200 -0.098 0.000 1.182 29 S CB -0.732 62.444 63.200 -0.040 0.000 1.243 29 S HN 1.530 nan 8.310 nan 0.000 0.467 30 G N 1.790 110.512 108.800 -0.130 0.000 2.531 30 G HA2 0.343 4.302 3.960 -0.001 0.000 0.253 30 G HA3 0.343 4.302 3.960 -0.001 0.000 0.253 30 G C 1.088 175.811 174.900 -0.296 0.000 1.439 30 G CA -0.468 44.549 45.100 -0.138 0.000 1.056 30 G HN 0.368 nan 8.290 nan 0.000 0.555 31 M N -0.586 118.831 119.600 -0.306 0.000 2.065 31 M HA -0.117 4.362 4.480 -0.001 0.000 0.259 31 M C 2.833 178.918 176.300 -0.358 0.000 1.071 31 M CA 1.194 56.175 55.300 -0.531 0.000 1.109 31 M CB -1.637 30.432 32.600 -0.884 0.000 1.313 31 M HN 0.258 nan 8.290 nan 0.000 0.408 32 V N 0.079 119.892 119.914 -0.168 0.000 2.282 32 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 32 V C 2.635 178.684 176.094 -0.075 0.000 1.057 32 V CA 2.087 64.360 62.300 -0.045 0.000 1.032 32 V CB -2.330 29.489 31.823 -0.006 0.000 0.645 32 V HN 0.586 nan 8.190 nan 0.000 0.447 33 G N 0.590 109.320 108.800 -0.115 0.000 2.514 33 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.217 33 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.217 33 G C 1.900 176.704 174.900 -0.161 0.000 1.198 33 G CA 1.819 46.846 45.100 -0.121 0.000 0.780 33 G HN 0.690 nan 8.290 nan 0.000 0.565 34 S N 0.878 116.389 115.700 -0.315 0.000 2.428 34 S HA 0.291 4.761 4.470 -0.001 0.000 0.230 34 S C 2.528 177.035 174.600 -0.156 0.000 1.014 34 S CA 1.327 59.303 58.200 -0.372 0.000 0.957 34 S CB -0.266 62.327 63.200 -1.012 0.000 0.784 34 S HN 0.632 nan 8.310 nan 0.000 0.499 35 A N 1.392 124.154 122.820 -0.098 0.000 2.015 35 A HA 0.044 4.363 4.320 -0.001 0.000 0.219 35 A C 2.308 179.988 177.584 0.159 0.000 1.163 35 A CA 1.758 53.869 52.037 0.123 0.000 0.646 35 A CB -1.381 17.737 19.000 0.196 0.000 0.806 35 A HN 0.569 nan 8.150 nan 0.000 0.448 36 T N 0.015 114.606 114.554 0.061 0.000 2.904 36 T HA 0.071 4.421 4.350 -0.001 0.000 0.267 36 T C 2.194 176.929 174.700 0.060 0.000 1.059 36 T CA 1.237 63.368 62.100 0.052 0.000 1.137 36 T CB -0.265 68.607 68.868 0.007 0.000 0.879 36 T HN 0.565 nan 8.240 nan 0.000 0.467 37 A N 0.406 123.257 122.820 0.052 0.000 1.930 37 A HA -0.045 4.275 4.320 -0.001 0.000 0.217 37 A C 2.054 179.736 177.584 0.164 0.000 1.175 37 A CA 1.101 53.179 52.037 0.068 0.000 0.627 37 A CB -0.861 18.157 19.000 0.031 0.000 0.815 37 A HN 0.460 nan 8.150 nan 0.000 0.443 38 Y N 0.542 120.867 120.300 0.041 0.000 2.049 38 Y HA -0.154 4.395 4.550 -0.001 0.000 0.277 38 Y C 2.889 178.833 175.900 0.073 0.000 1.143 38 Y CA 1.052 59.199 58.100 0.078 0.000 1.115 38 Y CB -1.108 37.423 38.460 0.119 0.000 0.975 38 Y HN 0.315 nan 8.280 nan 0.000 0.487 39 A N -0.221 122.676 122.820 0.130 0.000 1.958 39 A HA -0.247 4.073 4.320 -0.001 0.000 0.221 39 A C 2.229 179.809 177.584 -0.007 0.000 1.178 39 A CA 1.995 54.041 52.037 0.016 0.000 0.642 39 A CB -1.230 17.804 19.000 0.056 0.000 0.816 39 A HN 0.467 nan 8.150 nan 0.000 0.453 40 L N -0.918 120.319 121.223 0.023 0.000 2.046 40 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 40 L C 2.810 179.679 176.870 -0.002 0.000 1.077 40 L CA 2.070 56.912 54.840 0.004 0.000 0.747 40 L CB -1.022 41.047 42.059 0.016 0.000 0.896 40 L HN 0.421 nan 8.230 nan 0.000 0.432 41 A N -1.756 121.083 122.820 0.033 0.000 1.943 41 A HA 0.023 4.342 4.320 -0.001 0.000 0.213 41 A C 2.210 179.831 177.584 0.062 0.000 1.181 41 A CA 0.634 52.707 52.037 0.060 0.000 0.653 41 A CB -0.381 18.693 19.000 0.125 0.000 0.833 41 A HN 0.364 nan 8.150 nan 0.000 0.451 42 L N -0.634 120.578 121.223 -0.018 0.000 2.156 42 L HA -0.030 4.310 4.340 -0.001 0.000 0.208 42 L C 2.028 178.949 176.870 0.084 0.000 1.095 42 L CA 0.735 55.577 54.840 0.004 0.000 0.770 42 L CB -0.305 41.621 42.059 -0.221 0.000 0.914 42 L HN 0.323 nan 8.230 nan 0.000 0.439 43 L N -0.326 120.868 121.223 -0.049 0.000 2.558 43 L HA 0.142 4.482 4.340 -0.001 0.000 0.225 43 L C 1.214 177.846 176.870 -0.395 0.000 1.128 43 L CA 0.232 54.995 54.840 -0.128 0.000 0.868 43 L CB -0.495 41.514 42.059 -0.084 0.000 1.006 43 L HN 0.397 nan 8.230 nan 0.000 0.454 44 G N 0.431 108.998 108.800 -0.388 0.000 2.371 44 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.299 44 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.299 44 G C 0.670 175.414 174.900 -0.259 0.000 1.014 44 G CA 0.445 45.282 45.100 -0.438 0.000 1.097 44 G HN 0.139 nan 8.290 nan 0.000 0.512 45 V N 0.273 120.102 119.914 -0.141 0.000 2.249 45 V HA 0.324 4.443 4.120 -0.001 0.000 0.239 45 V C 2.149 178.213 176.094 -0.050 0.000 1.038 45 V CA 2.321 64.570 62.300 -0.086 0.000 1.005 45 V CB -0.731 31.056 31.823 -0.059 0.000 0.646 45 V HN 1.196 nan 8.190 nan 0.000 0.455 46 A N -0.827 121.978 122.820 -0.026 0.000 2.281 46 A HA 0.528 4.848 4.320 -0.001 0.000 0.329 46 A C 1.154 178.750 177.584 0.020 0.000 1.122 46 A CA -0.350 51.687 52.037 -0.001 0.000 0.850 46 A CB 0.802 19.806 19.000 0.006 0.000 1.207 46 A HN 0.282 nan 8.150 nan 0.000 0.495 47 R N -0.729 119.795 120.500 0.040 0.000 2.210 47 R HA 0.085 4.425 4.340 -0.001 0.000 0.203 47 R C 0.017 176.387 176.300 0.116 0.000 1.010 47 R CA 1.142 57.283 56.100 0.070 0.000 1.008 47 R CB 0.195 30.531 30.300 0.061 0.000 0.923 47 R HN 0.793 nan 8.270 nan 0.000 0.469 48 E N 0.239 120.499 120.200 0.100 0.000 2.265 48 E HA 0.248 4.598 4.350 -0.001 0.000 0.262 48 E C -1.779 174.845 176.600 0.040 0.000 0.889 48 E CA -0.670 55.801 56.400 0.119 0.000 0.789 48 E CB 1.996 31.789 29.700 0.155 0.000 1.221 48 E HN -0.093 nan 8.360 nan 0.000 0.414 49 V N 4.917 124.832 119.914 0.000 0.000 2.407 49 V HA 0.391 4.511 4.120 -0.001 0.000 0.291 49 V C -0.500 175.535 176.094 -0.099 0.000 1.018 49 V CA -0.809 61.470 62.300 -0.034 0.000 0.842 49 V CB 1.597 33.414 31.823 -0.011 0.000 0.996 49 V HN 0.545 nan 8.190 nan 0.000 0.426 50 V N 6.465 126.321 119.914 -0.096 0.000 2.417 50 V HA 0.484 4.604 4.120 -0.001 0.000 0.291 50 V C -0.156 175.875 176.094 -0.105 0.000 1.024 50 V CA -0.497 61.724 62.300 -0.132 0.000 0.861 50 V CB 1.834 33.583 31.823 -0.125 0.000 0.985 50 V HN 0.635 nan 8.190 nan 0.000 0.436 51 L N 5.377 126.530 121.223 -0.116 0.000 2.296 51 L HA 0.650 4.990 4.340 -0.001 0.000 0.286 51 L C -0.828 175.970 176.870 -0.120 0.000 1.023 51 L CA -0.623 54.156 54.840 -0.100 0.000 0.812 51 L CB 1.959 43.970 42.059 -0.080 0.000 1.223 51 L HN 0.376 nan 8.230 nan 0.000 0.421 52 V N 2.736 122.572 119.914 -0.131 0.000 2.443 52 V HA 0.483 4.603 4.120 -0.001 0.000 0.293 52 V C -0.791 175.201 176.094 -0.172 0.000 1.021 52 V CA -0.567 61.617 62.300 -0.193 0.000 0.848 52 V CB 1.924 33.575 31.823 -0.286 0.000 0.998 52 V HN 0.657 nan 8.190 nan 0.000 0.424 53 D N 2.848 123.154 120.400 -0.156 0.000 2.857 53 D HA 0.326 4.966 4.640 -0.001 0.000 0.227 53 D C 0.481 176.718 176.300 -0.106 0.000 1.192 53 D CA -0.606 53.329 54.000 -0.108 0.000 0.857 53 D CB 2.829 43.593 40.800 -0.061 0.000 1.645 53 D HN 0.282 nan 8.370 nan 0.000 0.482 54 L N 1.840 123.017 121.223 -0.076 0.000 2.043 54 L HA -0.102 4.238 4.340 -0.001 0.000 0.212 54 L C 0.890 177.731 176.870 -0.047 0.000 1.075 54 L CA 1.635 56.441 54.840 -0.056 0.000 0.752 54 L CB -0.424 41.623 42.059 -0.021 0.000 0.891 54 L HN 0.475 nan 8.230 nan 0.000 0.432 55 D N -0.273 120.103 120.400 -0.039 0.000 2.398 55 D HA -0.048 4.592 4.640 -0.001 0.000 0.250 55 D C 1.236 177.509 176.300 -0.046 0.000 1.287 55 D CA 0.166 54.144 54.000 -0.036 0.000 0.992 55 D CB 0.369 41.152 40.800 -0.028 0.000 1.071 55 D HN 0.159 nan 8.370 nan 0.000 0.514 56 R N 2.482 122.952 120.500 -0.050 0.000 2.237 56 R HA -0.106 4.234 4.340 -0.001 0.000 0.219 56 R C 1.180 177.448 176.300 -0.052 0.000 1.080 56 R CA 0.890 56.955 56.100 -0.059 0.000 0.995 56 R CB 0.270 30.535 30.300 -0.058 0.000 0.875 56 R HN 0.311 nan 8.270 nan 0.000 0.462 57 K N 0.118 120.489 120.400 -0.048 0.000 2.323 57 K HA -0.008 4.312 4.320 -0.001 0.000 0.197 57 K C 1.708 178.270 176.600 -0.063 0.000 1.043 57 K CA 0.209 56.466 56.287 -0.051 0.000 0.997 57 K CB -0.002 32.469 32.500 -0.049 0.000 0.807 57 K HN -0.005 nan 8.250 nan 0.000 0.497 58 L N 0.320 121.511 121.223 -0.054 0.000 2.240 58 L HA 0.150 4.490 4.340 -0.001 0.000 0.211 58 L C 1.939 178.815 176.870 0.010 0.000 1.106 58 L CA 1.299 56.109 54.840 -0.051 0.000 0.793 58 L CB -0.381 41.667 42.059 -0.018 0.000 0.927 58 L HN 0.105 nan 8.230 nan 0.000 0.446 59 A N -0.838 121.979 122.820 -0.005 0.000 1.935 59 A HA -0.103 4.217 4.320 -0.001 0.000 0.214 59 A C 2.219 179.793 177.584 -0.016 0.000 1.178 59 A CA 1.076 53.112 52.037 -0.002 0.000 0.640 59 A CB -0.475 18.494 19.000 -0.051 0.000 0.825 59 A HN 0.508 nan 8.150 nan 0.000 0.447 60 Q N -0.327 119.450 119.800 -0.039 0.000 2.435 60 Q HA 0.211 4.550 4.340 -0.001 0.000 0.207 60 Q C 1.674 177.649 176.000 -0.042 0.000 0.956 60 Q CA 1.343 57.121 55.803 -0.042 0.000 0.917 60 Q CB -0.350 28.363 28.738 -0.043 0.000 0.997 60 Q HN 0.556 nan 8.270 nan 0.000 0.497 61 A N -1.040 121.740 122.820 -0.067 0.000 1.887 61 A HA -0.037 4.283 4.320 -0.001 0.000 0.210 61 A C 1.773 179.286 177.584 -0.118 0.000 1.221 61 A CA 0.746 52.712 52.037 -0.117 0.000 0.635 61 A CB -0.670 18.221 19.000 -0.182 0.000 0.881 61 A HN 0.415 nan 8.150 nan 0.000 0.456 62 H N 0.246 119.266 119.070 -0.084 0.000 2.265 62 H HA -0.146 4.410 4.556 -0.001 0.000 0.295 62 H C 2.536 177.826 175.328 -0.063 0.000 1.084 62 H CA 1.849 57.843 56.048 -0.090 0.000 1.261 62 H CB -0.600 29.106 29.762 -0.094 0.000 1.360 62 H HN 0.469 nan 8.280 nan 0.000 0.487 63 A N 0.591 123.464 122.820 0.088 0.000 2.076 63 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 63 A C 2.367 179.981 177.584 0.050 0.000 1.160 63 A CA 1.811 53.869 52.037 0.035 0.000 0.653 63 A CB -0.359 18.625 19.000 -0.027 0.000 0.801 63 A HN 0.560 nan 8.150 nan 0.000 0.455 64 E N -0.627 119.599 120.200 0.043 0.000 2.086 64 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 64 E C 1.600 178.273 176.600 0.122 0.000 0.975 64 E CA 0.789 57.247 56.400 0.097 0.000 0.813 64 E CB -0.083 29.645 29.700 0.047 0.000 0.768 64 E HN 0.480 nan 8.360 nan 0.000 0.457 65 D N 0.582 120.971 120.400 -0.019 0.000 2.104 65 D HA -0.168 4.472 4.640 -0.001 0.000 0.194 65 D C 1.915 178.271 176.300 0.093 0.000 0.994 65 D CA 1.141 55.104 54.000 -0.063 0.000 0.830 65 D CB -0.122 40.616 40.800 -0.103 0.000 0.959 65 D HN 0.256 nan 8.370 nan 0.000 0.452 66 I N 0.061 120.698 120.570 0.111 0.000 2.226 66 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 66 I C 2.505 178.773 176.117 0.252 0.000 1.100 66 I CA 0.473 61.892 61.300 0.198 0.000 1.374 66 I CB -0.256 37.855 38.000 0.185 0.000 1.057 66 I HN 0.089 nan 8.210 nan 0.000 0.413 67 L N 0.560 121.918 121.223 0.226 0.000 2.046 67 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 67 L C 2.491 179.507 176.870 0.243 0.000 1.077 67 L CA 1.973 56.945 54.840 0.220 0.000 0.747 67 L CB -0.705 41.467 42.059 0.189 0.000 0.896 67 L HN 0.180 nan 8.230 nan 0.000 0.432 68 H N -0.553 118.606 119.070 0.148 0.000 2.496 68 H HA -0.139 4.417 4.556 -0.001 0.000 0.296 68 H C 2.042 177.543 175.328 0.288 0.000 1.107 68 H CA 1.317 57.472 56.048 0.179 0.000 1.263 68 H CB -0.256 29.588 29.762 0.138 0.000 1.369 68 H HN 0.566 nan 8.280 nan 0.000 0.541 69 A N -0.408 122.651 122.820 0.398 0.000 1.984 69 A HA -0.078 4.241 4.320 -0.001 0.000 0.214 69 A C 2.466 180.301 177.584 0.418 0.000 1.173 69 A CA 1.073 53.377 52.037 0.444 0.000 0.673 69 A CB -0.661 18.608 19.000 0.450 0.000 0.830 69 A HN 0.539 nan 8.150 nan 0.000 0.453 70 T N -1.322 113.393 114.554 0.268 0.000 2.778 70 T HA -0.095 4.254 4.350 -0.001 0.000 0.269 70 T C -0.413 174.323 174.700 0.061 0.000 1.050 70 T CA 1.554 63.757 62.100 0.171 0.000 1.137 70 T CB -1.688 67.266 68.868 0.144 0.000 0.860 70 T HN 0.332 nan 8.240 nan 0.000 0.468 71 P HA 0.016 nan 4.420 nan 0.000 0.223 71 P C 0.424 177.445 177.300 -0.466 0.000 1.144 71 P CA 0.768 63.661 63.100 -0.345 0.000 0.783 71 P CB -0.380 30.968 31.700 -0.587 0.000 0.771 72 F N -2.363 117.597 119.950 0.016 0.000 2.639 72 F HA 0.496 5.023 4.527 -0.000 0.000 0.300 72 F C 1.409 177.186 175.800 -0.038 0.000 1.109 72 F CA -0.336 57.661 58.000 -0.005 0.000 1.335 72 F CB -0.211 38.800 39.000 0.019 0.000 1.014 72 F HN -0.083 nan 8.300 nan 0.000 0.537 73 A N -1.076 121.781 122.820 0.062 0.000 3.077 73 A HA 0.603 4.922 4.320 -0.001 0.000 0.179 73 A C -0.981 176.485 177.584 -0.197 0.000 0.929 73 A CA -0.383 51.615 52.037 -0.066 0.000 1.294 73 A CB 0.291 19.337 19.000 0.076 0.000 1.984 73 A HN 0.197 nan 8.150 nan 0.000 0.732 74 H N 0.691 119.778 119.070 0.028 0.000 2.525 74 H HA 0.534 5.089 4.556 -0.001 0.000 0.340 74 H C -2.600 172.746 175.328 0.029 0.000 1.168 74 H CA -1.983 54.078 56.048 0.020 0.000 1.247 74 H CB 0.300 30.072 29.762 0.018 0.000 1.568 74 H HN 0.325 nan 8.280 nan 0.000 0.536 75 P HA 0.072 nan 4.420 nan 0.000 0.275 75 P C -0.980 176.393 177.300 0.122 0.000 1.276 75 P CA -0.081 63.081 63.100 0.103 0.000 0.782 75 P CB 0.389 32.126 31.700 0.060 0.000 0.851 76 V N 4.471 124.470 119.914 0.141 0.000 2.569 76 V HA 0.219 4.338 4.120 -0.001 0.000 0.301 76 V C -0.576 175.653 176.094 0.226 0.000 1.044 76 V CA -0.703 61.689 62.300 0.154 0.000 0.874 76 V CB 1.994 33.891 31.823 0.123 0.000 1.002 76 V HN 0.509 nan 8.190 nan 0.000 0.424 77 W N 5.859 127.177 121.300 0.030 0.000 2.546 77 W HA 0.581 5.241 4.660 -0.000 0.000 0.323 77 W C -0.608 175.932 176.519 0.034 0.000 1.272 77 W CA -0.567 56.795 57.345 0.028 0.000 1.404 77 W CB 0.877 30.347 29.460 0.018 0.000 1.411 77 W HN 0.373 nan 8.180 nan 0.000 0.480 78 V N 8.588 128.485 119.914 -0.027 0.000 2.409 78 V HA 0.599 4.719 4.120 -0.001 0.000 0.291 78 V C 0.059 175.983 176.094 -0.284 0.000 1.020 78 V CA -0.895 61.328 62.300 -0.129 0.000 0.848 78 V CB 1.205 33.035 31.823 0.012 0.000 0.990 78 V HN 0.500 nan 8.190 nan 0.000 0.430 79 R N 3.987 124.268 120.500 -0.365 0.000 2.764 79 R HA 0.941 5.281 4.340 -0.001 0.000 0.270 79 R C -0.908 175.242 176.300 -0.250 0.000 1.014 79 R CA -0.672 55.194 56.100 -0.390 0.000 0.904 79 R CB 2.145 32.001 30.300 -0.739 0.000 1.236 79 R HN 0.621 nan 8.270 nan 0.000 0.466 84 S N -1.590 114.027 115.700 -0.138 0.000 2.753 84 S HA 0.573 5.043 4.470 -0.001 0.000 0.302 84 S C 0.789 175.284 174.600 -0.175 0.000 1.104 84 S CA -0.402 57.683 58.200 -0.192 0.000 0.968 84 S CB 0.741 63.884 63.200 -0.096 0.000 1.278 84 S HN 0.496 nan 8.310 nan 0.000 0.549 85 Y N 0.870 121.148 120.300 -0.037 0.000 2.293 85 Y HA 0.175 4.725 4.550 -0.001 0.000 0.291 85 Y C 2.674 178.556 175.900 -0.031 0.000 1.137 85 Y CA 1.150 59.227 58.100 -0.039 0.000 1.202 85 Y CB -1.048 37.389 38.460 -0.039 0.000 0.990 85 Y HN 0.821 nan 8.280 nan 0.000 0.537 86 G N -0.766 108.103 108.800 0.114 0.000 2.534 86 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.217 86 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.217 86 G C 0.989 175.913 174.900 0.039 0.000 1.128 86 G CA 0.852 45.992 45.100 0.066 0.000 0.784 86 G HN 0.258 nan 8.290 nan 0.000 0.542 87 D N 0.164 120.575 120.400 0.019 0.000 2.349 87 D HA 0.065 4.705 4.640 -0.001 0.000 0.215 87 D C 2.310 178.611 176.300 0.001 0.000 1.016 87 D CA -0.001 53.997 54.000 -0.003 0.000 0.870 87 D CB 0.174 40.948 40.800 -0.044 0.000 0.917 87 D HN 0.281 nan 8.370 nan 0.000 0.524 88 L N 0.692 121.928 121.223 0.021 0.000 2.551 88 L HA -0.009 4.331 4.340 -0.001 0.000 0.228 88 L C 1.002 177.886 176.870 0.023 0.000 1.153 88 L CA 0.102 54.956 54.840 0.023 0.000 0.851 88 L CB -0.344 41.748 42.059 0.055 0.000 0.959 88 L HN -0.012 nan 8.230 nan 0.000 0.451 89 E N 0.738 120.954 120.200 0.027 0.000 2.765 89 E HA -0.074 4.275 4.350 -0.001 0.000 0.256 89 E C 1.257 177.872 176.600 0.026 0.000 0.935 89 E CA 0.812 57.227 56.400 0.026 0.000 0.954 89 E CB 0.140 29.857 29.700 0.029 0.000 0.908 89 E HN 0.351 nan 8.360 nan 0.000 0.500 90 G N 2.468 111.281 108.800 0.021 0.000 2.184 90 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.264 90 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.264 90 G C 0.329 175.241 174.900 0.020 0.000 0.975 90 G CA 0.139 45.252 45.100 0.022 0.000 0.642 90 G HN 0.966 nan 8.290 nan 0.000 0.536 91 A N -0.160 122.670 122.820 0.016 0.000 2.511 91 A HA 0.623 4.943 4.320 -0.001 0.000 0.242 91 A C 1.263 178.851 177.584 0.008 0.000 1.069 91 A CA 0.901 52.945 52.037 0.011 0.000 0.763 91 A CB 0.150 19.154 19.000 0.006 0.000 1.001 91 A HN 0.532 nan 8.150 nan 0.000 0.498 92 R N 1.093 121.598 120.500 0.007 0.000 2.362 92 R HA 0.391 4.731 4.340 -0.001 0.000 0.227 92 R C 0.039 176.340 176.300 0.002 0.000 0.905 92 R CA 0.812 56.915 56.100 0.006 0.000 1.067 92 R CB 0.464 30.769 30.300 0.009 0.000 1.078 92 R HN 0.759 nan 8.270 nan 0.000 0.516 93 A N 0.606 123.425 122.820 -0.002 0.000 2.491 93 A HA 0.485 4.805 4.320 -0.001 0.000 0.293 93 A C -1.176 176.401 177.584 -0.012 0.000 1.047 93 A CA -0.572 51.460 52.037 -0.008 0.000 0.735 93 A CB 1.648 20.640 19.000 -0.013 0.000 1.281 93 A HN -0.034 nan 8.150 nan 0.000 0.398 94 V N 2.598 122.503 119.914 -0.015 0.000 2.378 94 V HA 0.397 4.517 4.120 -0.001 0.000 0.288 94 V C 0.003 176.080 176.094 -0.028 0.000 1.016 94 V CA -0.733 61.555 62.300 -0.019 0.000 0.840 94 V CB 1.499 33.314 31.823 -0.014 0.000 0.994 94 V HN 0.671 nan 8.190 nan 0.000 0.431 95 V N 6.786 126.683 119.914 -0.029 0.000 2.427 95 V HA 0.262 4.381 4.120 -0.001 0.000 0.268 95 V C 0.173 176.245 176.094 -0.037 0.000 1.046 95 V CA -0.150 62.132 62.300 -0.029 0.000 0.970 95 V CB 1.049 32.856 31.823 -0.027 0.000 1.001 95 V HN 0.639 nan 8.190 nan 0.000 0.476 96 L N 5.468 126.667 121.223 -0.040 0.000 2.268 96 L HA 0.638 4.978 4.340 -0.001 0.000 0.289 96 L C 0.520 177.407 176.870 0.028 0.000 1.064 96 L CA -0.140 54.657 54.840 -0.071 0.000 0.824 96 L CB 0.736 42.660 42.059 -0.226 0.000 1.202 96 L HN 0.674 nan 8.230 nan 0.000 0.433 97 A N 2.913 125.744 122.820 0.019 0.000 3.297 97 A HA 0.721 5.040 4.320 -0.001 0.000 0.304 97 A C 0.540 178.157 177.584 0.056 0.000 0.963 97 A CA -0.279 51.791 52.037 0.055 0.000 0.935 97 A CB 0.361 19.370 19.000 0.014 0.000 1.093 97 A HN 0.725 nan 8.150 nan 0.000 0.480 98 A N 0.070 122.959 122.820 0.116 0.000 2.261 98 A HA 0.692 5.012 4.320 -0.001 0.000 0.275 98 A C 0.992 178.643 177.584 0.111 0.000 1.246 98 A CA 0.247 52.356 52.037 0.119 0.000 0.810 98 A CB 0.063 19.179 19.000 0.193 0.000 1.168 98 A HN 2.078 nan 8.150 nan 0.000 0.506 99 G N -1.759 107.093 108.800 0.087 0.000 3.487 99 G HA2 0.409 4.369 3.960 -0.001 0.000 0.235 99 G HA3 0.409 4.369 3.960 -0.001 0.000 0.235 99 G C -0.557 174.363 174.900 0.034 0.000 3.868 99 G CA -0.253 44.875 45.100 0.047 0.000 0.522 99 G HN 1.045 nan 8.290 nan 0.000 0.295 100 V N 0.596 120.536 119.914 0.043 0.000 2.790 100 V HA 0.251 4.370 4.120 -0.001 0.000 0.304 100 V C 1.370 177.474 176.094 0.017 0.000 1.142 100 V CA 1.114 63.433 62.300 0.031 0.000 1.282 100 V CB 0.747 32.590 31.823 0.034 0.000 0.877 100 V HN 1.303 nan 8.190 nan 0.000 0.504 101 A N 4.761 127.588 122.820 0.012 0.000 2.302 101 A HA 0.441 4.760 4.320 -0.001 0.000 0.295 101 A C 0.296 177.884 177.584 0.007 0.000 1.235 101 A CA -0.414 51.627 52.037 0.007 0.000 0.876 101 A CB 0.120 19.121 19.000 0.003 0.000 1.133 101 A HN 0.979 nan 8.150 nan 0.000 0.533 102 Q N 2.686 122.490 119.800 0.007 0.000 2.308 102 Q HA 0.012 4.352 4.340 -0.001 0.000 0.313 102 Q C 0.244 176.248 176.000 0.007 0.000 1.075 102 Q CA 1.119 56.926 55.803 0.007 0.000 0.995 102 Q CB 0.299 29.042 28.738 0.008 0.000 1.107 102 Q HN 0.739 nan 8.270 nan 0.000 0.380 106 G N 1.808 110.611 108.800 0.006 0.000 2.136 106 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.242 106 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.242 106 G C -0.057 174.847 174.900 0.006 0.000 0.989 106 G CA 0.634 45.738 45.100 0.005 0.000 0.682 106 G HN 1.088 nan 8.290 nan 0.000 0.522 107 E N 0.398 120.601 120.200 0.006 0.000 2.202 107 E HA 0.707 5.056 4.350 -0.001 0.000 0.272 107 E C 0.146 176.751 176.600 0.007 0.000 0.951 107 E CA -0.442 55.962 56.400 0.007 0.000 0.813 107 E CB 1.235 30.939 29.700 0.007 0.000 1.151 107 E HN 0.072 nan 8.360 nan 0.000 0.398 108 T N 2.400 116.958 114.554 0.008 0.000 2.904 108 T HA 0.102 4.452 4.350 -0.001 0.000 0.290 108 T C 1.129 175.834 174.700 0.008 0.000 1.018 108 T CA -0.304 61.801 62.100 0.008 0.000 1.075 108 T CB 1.105 69.978 68.868 0.009 0.000 0.986 108 T HN 0.726 nan 8.240 nan 0.000 0.523 109 R N 0.839 121.344 120.500 0.009 0.000 2.127 109 R HA -0.110 4.229 4.340 -0.001 0.000 0.238 109 R C 1.820 178.123 176.300 0.006 0.000 1.134 109 R CA 1.222 57.327 56.100 0.008 0.000 0.975 109 R CB -0.543 29.764 30.300 0.011 0.000 0.865 109 R HN 0.409 nan 8.270 nan 0.000 0.447 110 L N 1.856 123.084 121.223 0.008 0.000 2.046 110 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 110 L C 2.556 179.431 176.870 0.008 0.000 1.077 110 L CA 1.980 56.826 54.840 0.009 0.000 0.747 110 L CB -0.655 41.411 42.059 0.012 0.000 0.896 110 L HN 0.464 nan 8.230 nan 0.000 0.432 111 Q N -1.827 117.978 119.800 0.008 0.000 2.096 111 Q HA -0.183 4.156 4.340 -0.001 0.000 0.197 111 Q C 2.196 178.201 176.000 0.007 0.000 0.964 111 Q CA 1.072 56.881 55.803 0.009 0.000 0.838 111 Q CB -0.847 27.896 28.738 0.008 0.000 0.906 111 Q HN 0.352 nan 8.270 nan 0.000 0.444 112 L N 1.409 122.635 121.223 0.005 0.000 2.137 112 L HA -0.173 4.167 4.340 -0.001 0.000 0.213 112 L C 2.029 178.895 176.870 -0.007 0.000 1.085 112 L CA 1.532 56.373 54.840 0.002 0.000 0.760 112 L CB -0.601 41.459 42.059 0.002 0.000 0.893 112 L HN 0.334 nan 8.230 nan 0.000 0.434 113 L N -1.373 119.844 121.223 -0.011 0.000 2.072 113 L HA -0.181 4.158 4.340 -0.001 0.000 0.205 113 L C 2.088 178.945 176.870 -0.022 0.000 1.079 113 L CA 1.501 56.324 54.840 -0.029 0.000 0.752 113 L CB -0.419 41.627 42.059 -0.021 0.000 0.906 113 L HN 0.293 nan 8.230 nan 0.000 0.436 114 D N -0.251 120.153 120.400 0.008 0.000 2.097 114 D HA -0.234 4.406 4.640 -0.001 0.000 0.195 114 D C 2.185 178.502 176.300 0.028 0.000 0.989 114 D CA 1.088 55.108 54.000 0.032 0.000 0.827 114 D CB -0.095 40.725 40.800 0.033 0.000 0.966 114 D HN 0.169 nan 8.370 nan 0.000 0.456 115 R N 0.323 120.834 120.500 0.018 0.000 2.127 115 R HA -0.129 4.210 4.340 -0.001 0.000 0.238 115 R C 1.704 178.021 176.300 0.030 0.000 1.134 115 R CA 1.107 57.222 56.100 0.025 0.000 0.975 115 R CB 0.046 30.358 30.300 0.019 0.000 0.865 115 R HN 0.045 nan 8.270 nan 0.000 0.447 116 N N 0.284 118.986 118.700 0.003 0.000 2.135 116 N HA -0.065 4.674 4.740 -0.001 0.000 0.186 116 N C 1.423 176.925 175.510 -0.013 0.000 1.027 116 N CA 1.565 54.611 53.050 -0.007 0.000 0.849 116 N CB -0.254 38.186 38.487 -0.079 0.000 1.002 116 N HN 0.293 nan 8.380 nan 0.000 0.425 117 A N 0.275 123.051 122.820 -0.074 0.000 2.067 117 A HA -0.108 4.212 4.320 -0.001 0.000 0.219 117 A C 1.971 179.615 177.584 0.101 0.000 1.158 117 A CA 1.136 53.122 52.037 -0.084 0.000 0.661 117 A CB -0.350 18.587 19.000 -0.105 0.000 0.801 117 A HN 0.362 nan 8.150 nan 0.000 0.452 118 Q N -1.146 118.716 119.800 0.103 0.000 2.331 118 Q HA 0.061 4.401 4.340 -0.001 0.000 0.203 118 Q C 1.840 177.910 176.000 0.117 0.000 0.944 118 Q CA 0.697 56.568 55.803 0.113 0.000 0.892 118 Q CB 0.050 28.836 28.738 0.079 0.000 0.983 118 Q HN 0.448 nan 8.270 nan 0.000 0.482 119 V N -0.043 119.955 119.914 0.139 0.000 2.453 119 V HA -0.206 3.914 4.120 -0.001 0.000 0.247 119 V C 1.571 177.788 176.094 0.205 0.000 1.048 119 V CA 1.468 63.863 62.300 0.158 0.000 1.049 119 V CB -0.343 31.578 31.823 0.163 0.000 0.672 119 V HN 0.305 nan 8.190 nan 0.000 0.457 120 F N 0.940 120.885 119.950 -0.007 0.000 2.102 120 F HA -0.152 4.374 4.527 -0.000 0.000 0.298 120 F C 2.441 178.229 175.800 -0.020 0.000 1.105 120 F CA 1.375 59.359 58.000 -0.025 0.000 1.239 120 F CB -1.151 37.808 39.000 -0.068 0.000 0.991 120 F HN 0.127 nan 8.300 nan 0.000 0.474 121 A N -1.048 121.885 122.820 0.189 0.000 2.032 121 A HA -0.252 4.068 4.320 -0.001 0.000 0.221 121 A C 2.035 179.637 177.584 0.029 0.000 1.165 121 A CA 1.778 53.879 52.037 0.108 0.000 0.645 121 A CB -0.573 18.506 19.000 0.133 0.000 0.807 121 A HN 0.380 nan 8.150 nan 0.000 0.453 122 Q N -0.963 118.851 119.800 0.024 0.000 2.134 122 Q HA 0.054 4.393 4.340 -0.001 0.000 0.195 122 Q C 2.193 178.126 176.000 -0.112 0.000 0.958 122 Q CA 1.334 57.123 55.803 -0.022 0.000 0.840 122 Q CB -0.490 28.260 28.738 0.021 0.000 0.918 122 Q HN 0.391 nan 8.270 nan 0.000 0.467 123 V N -0.387 119.462 119.914 -0.109 0.000 2.216 123 V HA -0.255 3.864 4.120 -0.001 0.000 0.243 123 V C 2.194 178.098 176.094 -0.317 0.000 1.044 123 V CA 1.717 63.892 62.300 -0.207 0.000 0.995 123 V CB -0.936 30.767 31.823 -0.201 0.000 0.633 123 V HN 0.142 nan 8.190 nan 0.000 0.446 124 V N 1.334 121.089 119.914 -0.264 0.000 2.233 124 V HA -0.260 3.859 4.120 -0.001 0.000 0.252 124 V C 0.375 176.350 176.094 -0.199 0.000 1.063 124 V CA 3.057 65.225 62.300 -0.221 0.000 1.032 124 V CB -2.183 29.552 31.823 -0.147 0.000 0.645 124 V HN 0.540 nan 8.190 nan 0.000 0.446 125 P HA -0.196 nan 4.420 nan 0.000 0.216 125 P C 1.525 178.690 177.300 -0.225 0.000 1.153 125 P CA 1.726 64.729 63.100 -0.162 0.000 0.858 125 P CB -0.249 31.374 31.700 -0.128 0.000 0.789 126 R N -0.048 120.227 120.500 -0.376 0.000 2.075 126 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 126 R C 2.533 178.548 176.300 -0.474 0.000 1.126 126 R CA 1.314 57.090 56.100 -0.540 0.000 0.963 126 R CB -1.650 28.015 30.300 -1.058 0.000 0.858 126 R HN 0.180 nan 8.270 nan 0.000 0.435 127 V N 1.346 120.993 119.914 -0.445 0.000 2.295 127 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 127 V C 1.982 178.016 176.094 -0.100 0.000 1.049 127 V CA 1.594 63.800 62.300 -0.156 0.000 1.024 127 V CB -0.371 31.412 31.823 -0.065 0.000 0.648 127 V HN 0.249 nan 8.190 nan 0.000 0.447 128 L N 0.785 121.937 121.223 -0.120 0.000 2.191 128 L HA -0.139 4.200 4.340 -0.001 0.000 0.212 128 L C 2.846 179.678 176.870 -0.063 0.000 1.103 128 L CA 2.087 56.881 54.840 -0.078 0.000 0.769 128 L CB -0.676 41.337 42.059 -0.077 0.000 0.908 128 L HN 0.629 nan 8.230 nan 0.000 0.438 129 E N 0.919 121.071 120.200 -0.080 0.000 2.077 129 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 129 E C 2.078 178.660 176.600 -0.029 0.000 0.989 129 E CA 1.484 57.850 56.400 -0.056 0.000 0.800 129 E CB 0.052 29.711 29.700 -0.069 0.000 0.746 129 E HN 0.443 nan 8.360 nan 0.000 0.452 130 A N 1.216 124.024 122.820 -0.020 0.000 1.930 130 A HA 0.371 4.691 4.320 -0.001 0.000 0.215 130 A C 1.333 178.920 177.584 0.006 0.000 1.176 130 A CA 0.962 53.005 52.037 0.009 0.000 0.632 130 A CB -0.100 18.925 19.000 0.041 0.000 0.819 130 A HN 0.391 nan 8.150 nan 0.000 0.445 131 A N -1.987 120.831 122.820 -0.003 0.000 2.430 131 A HA 0.573 4.892 4.320 -0.001 0.000 0.300 131 A C 0.343 177.920 177.584 -0.011 0.000 1.124 131 A CA -0.154 51.882 52.037 -0.002 0.000 0.766 131 A CB 0.625 19.627 19.000 0.003 0.000 1.328 131 A HN 0.192 nan 8.150 nan 0.000 0.424 132 E N -1.508 118.691 120.200 -0.003 0.000 2.864 132 E HA -0.305 4.044 4.350 -0.001 0.000 0.262 132 E C 0.695 177.298 176.600 0.005 0.000 1.227 132 E CA 1.311 57.713 56.400 0.003 0.000 0.706 132 E CB -1.917 27.787 29.700 0.006 0.000 1.340 132 E HN 1.058 nan 8.360 nan 0.000 0.443 133 A N 0.687 123.507 122.820 -0.000 0.000 2.388 133 A HA 0.361 4.681 4.320 -0.001 0.000 0.257 133 A C 0.521 178.107 177.584 0.002 0.000 1.095 133 A CA -0.308 51.729 52.037 -0.000 0.000 0.791 133 A CB 0.878 19.875 19.000 -0.006 0.000 1.029 133 A HN 0.003 nan 8.150 nan 0.000 0.489 134 V N 3.647 123.564 119.914 0.005 0.000 2.488 134 V HA 0.099 4.218 4.120 -0.001 0.000 0.277 134 V C 0.050 176.146 176.094 0.003 0.000 1.046 134 V CA -0.249 62.057 62.300 0.010 0.000 0.986 134 V CB 0.737 32.566 31.823 0.011 0.000 0.989 134 V HN 0.685 nan 8.190 nan 0.000 0.475 135 L N 5.834 127.063 121.223 0.010 0.000 2.319 135 L HA 0.375 4.715 4.340 -0.001 0.000 0.280 135 L C -0.256 176.621 176.870 0.011 0.000 1.099 135 L CA 0.200 55.042 54.840 0.002 0.000 0.828 135 L CB 1.078 43.142 42.059 0.008 0.000 1.150 135 L HN 0.524 nan 8.230 nan 0.000 0.442 136 L N 5.360 126.582 121.223 -0.001 0.000 2.337 136 L HA 0.443 4.783 4.340 -0.001 0.000 0.269 136 L C -0.646 176.236 176.870 0.020 0.000 1.018 136 L CA -0.170 54.671 54.840 0.002 0.000 0.876 136 L CB 1.353 43.400 42.059 -0.019 0.000 1.236 136 L HN 0.260 nan 8.230 nan 0.000 0.436 137 V N 4.839 124.785 119.914 0.053 0.000 2.488 137 V HA 0.432 4.552 4.120 -0.001 0.000 0.277 137 V C 0.939 177.074 176.094 0.068 0.000 1.046 137 V CA 0.678 63.044 62.300 0.110 0.000 0.986 137 V CB 0.796 32.718 31.823 0.164 0.000 0.989 137 V HN 0.914 nan 8.190 nan 0.000 0.475 138 A N 3.680 126.551 122.820 0.086 0.000 1.997 138 A HA 0.219 4.539 4.320 -0.001 0.000 0.198 138 A C 1.380 178.992 177.584 0.046 0.000 1.449 138 A CA 0.769 52.828 52.037 0.037 0.000 0.908 138 A CB -0.208 18.805 19.000 0.021 0.000 0.984 138 A HN 0.798 nan 8.150 nan 0.000 0.487 139 T N 1.323 115.937 114.554 0.100 0.000 2.934 139 T HA 0.052 4.402 4.350 -0.001 0.000 0.321 139 T C -0.118 174.582 174.700 -0.000 0.000 1.080 139 T CA 0.072 62.211 62.100 0.065 0.000 1.132 139 T CB -0.172 68.771 68.868 0.125 0.000 1.039 139 T HN 0.319 nan 8.240 nan 0.000 0.543 140 N N 4.245 122.941 118.700 -0.007 0.000 2.456 140 N HA 0.412 5.152 4.740 -0.001 0.000 0.296 140 N C -2.521 172.961 175.510 -0.045 0.000 1.102 140 N CA -1.484 51.562 53.050 -0.006 0.000 0.924 140 N CB 1.580 40.081 38.487 0.024 0.000 1.186 140 N HN 0.617 nan 8.380 nan 0.000 0.492 141 P HA 0.065 nan 4.420 nan 0.000 0.281 141 P C 1.079 178.371 177.300 -0.013 0.000 1.286 141 P CA -0.228 62.870 63.100 -0.004 0.000 0.772 141 P CB 1.160 32.858 31.700 -0.002 0.000 0.862 142 V N 3.066 122.999 119.914 0.032 0.000 2.453 142 V HA -0.241 3.878 4.120 -0.001 0.000 0.252 142 V C 1.693 177.793 176.094 0.010 0.000 1.068 142 V CA 2.133 64.441 62.300 0.012 0.000 1.070 142 V CB -0.546 31.277 31.823 0.001 0.000 0.664 142 V HN 0.500 nan 8.190 nan 0.000 0.461 143 D N -0.802 119.616 120.400 0.031 0.000 2.149 143 D HA -0.074 4.566 4.640 -0.001 0.000 0.201 143 D C 2.088 178.398 176.300 0.016 0.000 0.972 143 D CA 1.487 55.506 54.000 0.032 0.000 0.835 143 D CB 0.116 40.944 40.800 0.048 0.000 0.966 143 D HN 0.426 nan 8.370 nan 0.000 0.476 144 V N 1.258 121.164 119.914 -0.013 0.000 2.453 144 V HA -0.158 3.962 4.120 -0.001 0.000 0.247 144 V C 2.368 178.379 176.094 -0.138 0.000 1.048 144 V CA 0.915 63.189 62.300 -0.045 0.000 1.049 144 V CB -0.220 31.576 31.823 -0.045 0.000 0.672 144 V HN 0.192 nan 8.190 nan 0.000 0.457 145 M N -0.363 119.126 119.600 -0.185 0.000 2.394 145 M HA -0.077 4.403 4.480 -0.001 0.000 0.264 145 M C 2.144 178.364 176.300 -0.133 0.000 1.073 145 M CA 1.340 56.436 55.300 -0.341 0.000 1.111 145 M CB -1.416 30.914 32.600 -0.449 0.000 1.401 145 M HN 0.355 nan 8.290 nan 0.000 0.448 146 T N 0.068 114.614 114.554 -0.014 0.000 2.857 146 T HA -0.166 4.183 4.350 -0.001 0.000 0.266 146 T C 1.804 176.567 174.700 0.106 0.000 1.048 146 T CA 1.355 63.501 62.100 0.077 0.000 1.139 146 T CB -0.058 68.854 68.868 0.073 0.000 0.874 146 T HN 0.384 nan 8.240 nan 0.000 0.455 147 Q N 0.708 120.554 119.800 0.076 0.000 2.079 147 Q HA -0.062 4.278 4.340 -0.001 0.000 0.200 147 Q C 2.202 178.218 176.000 0.027 0.000 0.974 147 Q CA 1.197 57.079 55.803 0.132 0.000 0.840 147 Q CB -0.392 28.439 28.738 0.155 0.000 0.898 147 Q HN 0.298 nan 8.270 nan 0.000 0.430 148 V N 0.775 120.540 119.914 -0.248 0.000 2.469 148 V HA -0.299 3.820 4.120 -0.001 0.000 0.251 148 V C 2.186 178.211 176.094 -0.116 0.000 1.064 148 V CA 1.831 63.772 62.300 -0.599 0.000 1.066 148 V CB -0.999 30.317 31.823 -0.846 0.000 0.667 148 V HN 0.553 nan 8.190 nan 0.000 0.461 149 A N -1.200 121.669 122.820 0.083 0.000 1.903 149 A HA -0.141 4.179 4.320 -0.001 0.000 0.213 149 A C 2.120 179.762 177.584 0.097 0.000 1.185 149 A CA 1.381 53.523 52.037 0.175 0.000 0.628 149 A CB -0.640 18.508 19.000 0.246 0.000 0.830 149 A HN 0.594 nan 8.150 nan 0.000 0.446 150 Y N 0.961 121.264 120.300 0.005 0.000 2.114 150 Y HA -0.214 4.335 4.550 -0.001 0.000 0.284 150 Y C 2.449 178.300 175.900 -0.082 0.000 1.143 150 Y CA 2.018 60.087 58.100 -0.053 0.000 1.135 150 Y CB -0.240 38.156 38.460 -0.107 0.000 0.980 150 Y HN 0.149 nan 8.280 nan 0.000 0.499 151 R N 0.520 120.891 120.500 -0.215 0.000 2.096 151 R HA -0.180 4.159 4.340 -0.001 0.000 0.240 151 R C 2.289 178.500 176.300 -0.148 0.000 1.139 151 R CA 1.854 57.830 56.100 -0.206 0.000 0.952 151 R CB -1.272 29.135 30.300 0.178 0.000 0.854 151 R HN 0.461 nan 8.270 nan 0.000 0.436 152 L N 1.153 122.365 121.223 -0.019 0.000 2.465 152 L HA -0.059 4.280 4.340 -0.001 0.000 0.224 152 L C 2.176 179.001 176.870 -0.075 0.000 1.145 152 L CA 1.133 55.972 54.840 -0.002 0.000 0.834 152 L CB -0.389 41.711 42.059 0.069 0.000 0.944 152 L HN 0.249 nan 8.230 nan 0.000 0.451 153 S N -1.376 114.243 115.700 -0.136 0.000 2.492 153 S HA 0.118 4.588 4.470 -0.001 0.000 0.218 153 S C 1.736 176.252 174.600 -0.140 0.000 1.016 153 S CA 0.422 58.551 58.200 -0.118 0.000 0.916 153 S CB 0.420 63.567 63.200 -0.088 0.000 0.791 153 S HN 0.428 nan 8.310 nan 0.000 0.513 154 G N 1.451 110.118 108.800 -0.222 0.000 2.186 154 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.266 154 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.266 154 G C 0.064 174.881 174.900 -0.138 0.000 0.982 154 G CA 0.856 45.841 45.100 -0.191 0.000 0.670 154 G HN 0.548 nan 8.290 nan 0.000 0.533 155 L N 0.395 121.542 121.223 -0.126 0.000 2.475 155 L HA 0.414 4.754 4.340 -0.001 0.000 0.253 155 L C -1.340 175.560 176.870 0.050 0.000 1.198 155 L CA -2.110 52.716 54.840 -0.024 0.000 0.814 155 L CB 0.337 42.404 42.059 0.013 0.000 1.134 155 L HN -0.102 nan 8.230 nan 0.000 0.478 156 P HA 0.043 nan 4.420 nan 0.000 0.269 156 P C -2.124 175.363 177.300 0.313 0.000 1.215 156 P CA -0.915 62.300 63.100 0.191 0.000 0.780 156 P CB 0.010 31.781 31.700 0.118 0.000 0.898 157 P HA -0.059 nan 4.420 nan 0.000 0.221 157 P C 1.243 178.610 177.300 0.110 0.000 1.150 157 P CA 1.411 64.620 63.100 0.182 0.000 0.800 157 P CB -0.252 31.498 31.700 0.083 0.000 0.787 158 G N -0.569 108.295 108.800 0.107 0.000 2.920 158 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.208 158 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.208 158 G C 1.540 176.487 174.900 0.079 0.000 1.159 158 G CA -0.085 45.059 45.100 0.073 0.000 0.784 158 G HN 0.131 nan 8.290 nan 0.000 0.535 159 R N -0.272 120.294 120.500 0.110 0.000 2.312 159 R HA 0.167 4.507 4.340 -0.001 0.000 0.205 159 R C -0.245 176.109 176.300 0.091 0.000 0.904 159 R CA 0.172 56.325 56.100 0.089 0.000 1.052 159 R CB 0.668 31.019 30.300 0.085 0.000 1.014 159 R HN 0.221 nan 8.270 nan 0.000 0.503 160 V N 1.968 121.958 119.914 0.128 0.000 2.376 160 V HA 0.309 4.429 4.120 -0.001 0.000 0.287 160 V C -0.216 175.935 176.094 0.096 0.000 1.015 160 V CA -0.738 61.633 62.300 0.119 0.000 0.834 160 V CB 2.067 33.998 31.823 0.181 0.000 1.001 160 V HN -0.250 nan 8.190 nan 0.000 0.428 161 V N 3.458 123.409 119.914 0.062 0.000 2.555 161 V HA 0.852 4.972 4.120 -0.001 0.000 0.302 161 V C 0.664 176.779 176.094 0.035 0.000 1.038 161 V CA -0.418 61.906 62.300 0.041 0.000 0.887 161 V CB 1.944 33.779 31.823 0.019 0.000 0.991 161 V HN 0.879 nan 8.190 nan 0.000 0.434 162 G N 1.271 110.088 108.800 0.028 0.000 2.420 162 G HA2 0.476 4.436 3.960 -0.001 0.000 0.331 162 G HA3 0.476 4.436 3.960 -0.001 0.000 0.331 162 G C 0.864 175.752 174.900 -0.020 0.000 1.168 162 G CA 0.218 45.327 45.100 0.015 0.000 0.936 162 G HN 0.852 nan 8.290 nan 0.000 0.479 163 S N 1.100 116.772 115.700 -0.046 0.000 2.392 163 S HA 0.004 4.474 4.470 -0.001 0.000 0.232 163 S C 2.157 176.696 174.600 -0.101 0.000 1.041 163 S CA 1.384 59.532 58.200 -0.086 0.000 1.026 163 S CB -0.940 62.188 63.200 -0.120 0.000 0.845 163 S HN 2.321 nan 8.310 nan 0.000 0.465 164 G N 1.628 110.363 108.800 -0.108 0.000 2.596 164 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.304 164 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.304 164 G C 0.734 175.580 174.900 -0.091 0.000 1.189 164 G CA 1.566 46.629 45.100 -0.062 0.000 0.986 164 G HN 1.307 nan 8.290 nan 0.000 0.548 165 T N 0.447 114.996 114.554 -0.008 0.000 3.206 165 T HA 0.485 4.835 4.350 -0.001 0.000 0.253 165 T C 2.285 177.006 174.700 0.035 0.000 1.042 165 T CA 0.968 63.091 62.100 0.037 0.000 0.931 165 T CB -0.374 68.528 68.868 0.057 0.000 1.029 165 T HN 1.042 nan 8.240 nan 0.000 0.564 166 I N -0.710 119.862 120.570 0.003 0.000 2.151 166 I HA -0.165 4.005 4.170 -0.001 0.000 0.243 166 I C 1.901 178.047 176.117 0.049 0.000 1.080 166 I CA 1.356 62.682 61.300 0.043 0.000 1.339 166 I CB -0.830 37.177 38.000 0.012 0.000 1.039 166 I HN 0.107 nan 8.210 nan 0.000 0.409 167 L N 1.229 122.464 121.223 0.021 0.000 2.044 167 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 167 L C 2.285 179.199 176.870 0.074 0.000 1.075 167 L CA 1.757 56.623 54.840 0.044 0.000 0.747 167 L CB -1.227 40.853 42.059 0.035 0.000 0.903 167 L HN 0.240 nan 8.230 nan 0.000 0.435 168 D N -0.789 119.666 120.400 0.092 0.000 2.149 168 D HA -0.195 4.445 4.640 -0.001 0.000 0.194 168 D C 2.034 178.385 176.300 0.085 0.000 1.001 168 D CA 1.909 55.963 54.000 0.089 0.000 0.849 168 D CB -0.208 40.650 40.800 0.097 0.000 0.939 168 D HN 0.311 nan 8.370 nan 0.000 0.449 169 T N 0.394 115.005 114.554 0.096 0.000 2.896 169 T HA 0.039 4.389 4.350 -0.001 0.000 0.263 169 T C 1.954 176.725 174.700 0.118 0.000 1.050 169 T CA 0.990 63.171 62.100 0.135 0.000 1.140 169 T CB -0.088 68.866 68.868 0.143 0.000 0.877 169 T HN 0.193 nan 8.240 nan 0.000 0.457 170 A N 2.204 125.075 122.820 0.085 0.000 1.841 170 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 170 A C 2.219 179.834 177.584 0.053 0.000 1.199 170 A CA 2.169 54.238 52.037 0.054 0.000 0.621 170 A CB -0.728 18.302 19.000 0.050 0.000 0.835 170 A HN 0.389 nan 8.150 nan 0.000 0.445 171 R N -1.540 119.004 120.500 0.074 0.000 2.103 171 R HA -0.196 4.144 4.340 -0.001 0.000 0.242 171 R C 1.853 178.222 176.300 0.115 0.000 1.142 171 R CA 2.004 58.152 56.100 0.080 0.000 0.960 171 R CB -0.726 29.625 30.300 0.085 0.000 0.858 171 R HN 0.467 nan 8.270 nan 0.000 0.439 172 F N 1.182 121.098 119.950 -0.057 0.000 2.065 172 F HA -0.186 4.341 4.527 -0.001 0.000 0.298 172 F C 2.064 177.789 175.800 -0.124 0.000 1.112 172 F CA 1.961 59.890 58.000 -0.118 0.000 1.212 172 F CB -0.481 38.413 39.000 -0.177 0.000 0.975 172 F HN -0.016 nan 8.300 nan 0.000 0.476 173 R N -0.253 120.147 120.500 -0.168 0.000 2.096 173 R HA -0.118 4.222 4.340 -0.001 0.000 0.235 173 R C 2.403 178.601 176.300 -0.171 0.000 1.127 173 R CA 1.187 57.125 56.100 -0.270 0.000 0.968 173 R CB -0.710 29.483 30.300 -0.180 0.000 0.861 173 R HN 0.394 nan 8.270 nan 0.000 0.440 174 A N 0.960 123.734 122.820 -0.077 0.000 1.873 174 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 174 A C 2.110 179.686 177.584 -0.015 0.000 1.186 174 A CA 1.018 53.035 52.037 -0.034 0.000 0.616 174 A CB -0.453 18.548 19.000 0.001 0.000 0.823 174 A HN 0.172 nan 8.150 nan 0.000 0.442 175 L N -0.601 120.621 121.223 -0.001 0.000 2.141 175 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 175 L C 2.513 179.401 176.870 0.030 0.000 1.094 175 L CA 0.739 55.602 54.840 0.039 0.000 0.763 175 L CB -0.554 41.551 42.059 0.077 0.000 0.908 175 L HN 0.355 nan 8.230 nan 0.000 0.437 176 L N -0.233 120.933 121.223 -0.094 0.000 2.083 176 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 176 L C 2.826 179.713 176.870 0.028 0.000 1.083 176 L CA 1.211 55.992 54.840 -0.097 0.000 0.752 176 L CB -0.531 41.316 42.059 -0.353 0.000 0.899 176 L HN 0.265 nan 8.230 nan 0.000 0.433 177 A N -0.521 122.285 122.820 -0.023 0.000 1.929 177 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 177 A C 2.204 179.812 177.584 0.041 0.000 1.176 177 A CA 1.406 53.442 52.037 -0.002 0.000 0.628 177 A CB -0.374 18.598 19.000 -0.045 0.000 0.816 177 A HN 0.457 nan 8.150 nan 0.000 0.444 178 E N -1.495 118.738 120.200 0.055 0.000 2.110 178 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 178 E C 1.762 178.417 176.600 0.092 0.000 0.988 178 E CA 1.518 57.956 56.400 0.064 0.000 0.804 178 E CB -0.310 29.431 29.700 0.070 0.000 0.745 178 E HN 0.731 nan 8.360 nan 0.000 0.458 179 Y N 0.482 120.792 120.300 0.018 0.000 2.243 179 Y HA -0.004 4.546 4.550 -0.001 0.000 0.293 179 Y C 1.670 177.592 175.900 0.036 0.000 1.124 179 Y CA 1.292 59.411 58.100 0.032 0.000 1.159 179 Y CB 0.128 38.618 38.460 0.050 0.000 1.008 179 Y HN 0.004 nan 8.280 nan 0.000 0.527 180 L N 0.142 121.461 121.223 0.160 0.000 2.567 180 L HA 0.147 4.486 4.340 -0.001 0.000 0.225 180 L C 0.224 177.127 176.870 0.055 0.000 1.119 180 L CA 0.238 55.152 54.840 0.122 0.000 0.871 180 L CB -0.140 42.127 42.059 0.347 0.000 1.036 180 L HN 0.063 nan 8.230 nan 0.000 0.459 181 R N -0.189 120.325 120.500 0.023 0.000 3.209 181 R HA -0.118 4.222 4.340 -0.001 0.000 0.252 181 R C -1.082 175.241 176.300 0.039 0.000 0.958 181 R CA -0.033 56.073 56.100 0.010 0.000 0.651 181 R CB -1.825 28.462 30.300 -0.022 0.000 1.142 181 R HN 0.105 nan 8.270 nan 0.000 0.441 182 V N -0.211 119.725 119.914 0.036 0.000 3.147 182 V HA 0.719 4.839 4.120 -0.001 0.000 0.306 182 V C -0.142 175.938 176.094 -0.025 0.000 1.209 182 V CA -0.490 61.822 62.300 0.020 0.000 1.023 182 V CB 2.199 34.040 31.823 0.030 0.000 1.059 182 V HN 0.461 nan 8.190 nan 0.000 0.435 183 A N 4.401 127.193 122.820 -0.047 0.000 2.477 183 A HA 0.488 4.807 4.320 -0.001 0.000 0.246 183 A C -1.101 176.423 177.584 -0.099 0.000 1.078 183 A CA -0.694 51.306 52.037 -0.060 0.000 0.770 183 A CB 0.097 19.064 19.000 -0.055 0.000 1.011 183 A HN 0.694 nan 8.150 nan 0.000 0.494 184 P HA -0.195 nan 4.420 nan 0.000 0.215 184 P C 1.392 178.599 177.300 -0.155 0.000 1.153 184 P CA 2.184 65.216 63.100 -0.113 0.000 0.853 184 P CB 0.005 31.663 31.700 -0.071 0.000 0.788 185 Q N 0.036 119.766 119.800 -0.118 0.000 2.561 185 Q HA 0.004 4.344 4.340 -0.001 0.000 0.217 185 Q C 2.053 177.923 176.000 -0.217 0.000 0.980 185 Q CA 1.568 57.302 55.803 -0.115 0.000 0.927 185 Q CB -1.400 27.309 28.738 -0.048 0.000 0.980 185 Q HN 0.271 nan 8.270 nan 0.000 0.525 186 S N -1.019 114.500 115.700 -0.302 0.000 2.523 186 S HA 0.247 4.717 4.470 -0.001 0.000 0.217 186 S C 0.345 174.506 174.600 -0.732 0.000 0.996 186 S CA -0.005 57.927 58.200 -0.447 0.000 0.921 186 S CB 0.761 63.812 63.200 -0.249 0.000 0.829 186 S HN 0.466 nan 8.310 nan 0.000 0.495 187 V N 4.263 123.823 119.914 -0.591 0.000 2.334 187 V HA 0.245 4.364 4.120 -0.001 0.000 0.267 187 V C -0.455 175.304 176.094 -0.558 0.000 1.040 187 V CA -0.525 61.457 62.300 -0.531 0.000 0.866 187 V CB 0.228 31.829 31.823 -0.369 0.000 1.019 187 V HN 0.382 nan 8.190 nan 0.000 0.468 188 H N 4.606 123.504 119.070 -0.287 0.000 2.788 188 H HA 0.672 5.227 4.556 -0.001 0.000 0.254 188 H C 0.243 175.292 175.328 -0.465 0.000 1.541 188 H CA 0.105 55.939 56.048 -0.356 0.000 1.295 188 H CB 0.856 30.480 29.762 -0.229 0.000 1.592 188 H HN 0.714 nan 8.280 nan 0.000 0.545 189 A N 2.925 125.439 122.820 -0.510 0.000 2.449 189 A HA 0.653 4.972 4.320 -0.001 0.000 0.302 189 A C -1.578 175.756 177.584 -0.416 0.000 1.048 189 A CA -0.681 51.121 52.037 -0.392 0.000 0.708 189 A CB 1.573 20.373 19.000 -0.332 0.000 1.274 189 A HN 0.370 nan 8.150 nan 0.000 0.410 190 Y N 0.011 120.389 120.300 0.130 0.000 2.524 190 Y HA 0.579 5.128 4.550 -0.001 0.000 0.344 190 Y C -0.059 175.835 175.900 -0.011 0.000 1.012 190 Y CA -1.016 57.127 58.100 0.071 0.000 1.068 190 Y CB 2.322 40.789 38.460 0.012 0.000 1.249 190 Y HN 0.366 nan 8.280 nan 0.000 0.468 191 V N 4.689 124.668 119.914 0.109 0.000 2.334 191 V HA 0.380 4.500 4.120 -0.001 0.000 0.281 191 V C -0.304 175.783 176.094 -0.011 0.000 1.016 191 V CA -0.677 61.579 62.300 -0.072 0.000 0.832 191 V CB 0.528 32.268 31.823 -0.139 0.000 0.999 191 V HN 0.551 nan 8.190 nan 0.000 0.439 192 L N 4.271 125.475 121.223 -0.033 0.000 2.375 192 L HA 0.960 5.299 4.340 -0.001 0.000 0.268 192 L C 1.136 177.992 176.870 -0.022 0.000 1.058 192 L CA 0.163 54.988 54.840 -0.025 0.000 0.803 192 L CB 1.287 43.328 42.059 -0.030 0.000 1.212 192 L HN 0.816 nan 8.230 nan 0.000 0.451 193 G N 1.009 109.800 108.800 -0.016 0.000 2.503 193 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.235 193 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.235 193 G C -0.440 174.470 174.900 0.015 0.000 1.179 193 G CA -0.162 44.936 45.100 -0.004 0.000 0.944 193 G HN 0.746 nan 8.290 nan 0.000 0.580 194 E N 0.749 120.962 120.200 0.021 0.000 2.331 194 E HA 0.274 4.623 4.350 -0.001 0.000 0.272 194 E C 0.042 176.685 176.600 0.072 0.000 1.036 194 E CA -0.517 55.908 56.400 0.043 0.000 0.864 194 E CB 0.277 29.993 29.700 0.027 0.000 1.035 194 E HN 0.580 nan 8.360 nan 0.000 0.408 195 H N 3.865 122.933 119.070 -0.003 0.000 3.224 195 H HA 0.310 4.866 4.556 -0.001 0.000 0.265 195 H C -0.326 175.007 175.328 0.009 0.000 1.461 195 H CA 0.492 56.538 56.048 -0.003 0.000 1.509 195 H CB -0.349 29.408 29.762 -0.009 0.000 1.686 195 H HN 0.681 nan 8.280 nan 0.000 0.514 196 G N 3.485 112.199 108.800 -0.144 0.000 2.317 196 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.293 196 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.293 196 G C -0.376 174.503 174.900 -0.034 0.000 1.287 196 G CA -0.529 44.508 45.100 -0.104 0.000 0.850 196 G HN 0.384 nan 8.290 nan 0.000 0.515 197 D N 0.114 120.512 120.400 -0.003 0.000 2.363 197 D HA 0.047 4.686 4.640 -0.001 0.000 0.220 197 D C 2.229 178.526 176.300 -0.005 0.000 0.994 197 D CA 1.396 55.396 54.000 0.001 0.000 0.890 197 D CB 0.322 41.119 40.800 -0.004 0.000 0.906 197 D HN 0.443 nan 8.370 nan 0.000 0.530 198 S N -0.144 115.554 115.700 -0.004 0.000 2.568 198 S HA 0.007 4.476 4.470 -0.001 0.000 0.232 198 S C 0.534 175.130 174.600 -0.006 0.000 0.975 198 S CA -0.708 57.491 58.200 -0.002 0.000 0.949 198 S CB -0.260 62.942 63.200 0.004 0.000 0.829 198 S HN 0.254 nan 8.310 nan 0.000 0.479 199 E N 1.276 121.467 120.200 -0.015 0.000 2.442 199 E HA 0.200 4.550 4.350 -0.001 0.000 0.262 199 E C -0.853 175.719 176.600 -0.046 0.000 1.004 199 E CA -0.468 55.915 56.400 -0.028 0.000 0.928 199 E CB 0.654 30.332 29.700 -0.035 0.000 0.937 199 E HN 0.166 nan 8.360 nan 0.000 0.446 200 V N 3.563 123.442 119.914 -0.057 0.000 2.347 200 V HA 0.147 4.267 4.120 -0.001 0.000 0.280 200 V C -0.214 175.781 176.094 -0.165 0.000 1.021 200 V CA -1.012 61.249 62.300 -0.066 0.000 0.847 200 V CB 0.709 32.519 31.823 -0.022 0.000 0.990 200 V HN 0.520 nan 8.190 nan 0.000 0.444 201 L N 5.544 126.602 121.223 -0.276 0.000 2.385 201 L HA 0.262 4.602 4.340 -0.001 0.000 0.281 201 L C 0.305 176.946 176.870 -0.382 0.000 1.106 201 L CA 0.458 54.907 54.840 -0.651 0.000 0.856 201 L CB 1.313 42.712 42.059 -1.100 0.000 1.186 201 L HN 0.618 nan 8.230 nan 0.000 0.453 202 V N 4.519 124.302 119.914 -0.219 0.000 2.322 202 V HA 0.121 4.240 4.120 -0.001 0.000 0.258 202 V C 0.317 176.466 176.094 0.093 0.000 1.074 202 V CA -0.226 62.086 62.300 0.019 0.000 0.909 202 V CB 0.040 31.913 31.823 0.084 0.000 1.090 202 V HN 0.817 nan 8.190 nan 0.000 0.486 203 W N 3.199 124.597 121.300 0.163 0.000 2.453 203 W HA -0.027 4.632 4.660 -0.001 0.000 0.289 203 W C 2.747 179.335 176.519 0.115 0.000 1.215 203 W CA 1.402 58.853 57.345 0.176 0.000 1.297 203 W CB -0.559 28.984 29.460 0.138 0.000 1.113 203 W HN 0.756 nan 8.180 nan 0.000 0.551 204 S N 0.275 116.163 115.700 0.314 0.000 2.382 204 S HA -0.186 4.284 4.470 -0.001 0.000 0.228 204 S C 1.783 176.477 174.600 0.157 0.000 1.027 204 S CA 1.714 60.036 58.200 0.204 0.000 0.991 204 S CB -0.917 62.376 63.200 0.156 0.000 0.823 204 S HN 0.181 nan 8.310 nan 0.000 0.469 205 S N 0.758 116.550 115.700 0.153 0.000 2.540 205 S HA 0.631 5.101 4.470 -0.001 0.000 0.218 205 S C 0.635 175.309 174.600 0.124 0.000 0.977 205 S CA -0.032 58.244 58.200 0.128 0.000 0.918 205 S CB -0.235 63.039 63.200 0.124 0.000 0.806 205 S HN 0.786 nan 8.310 nan 0.000 0.496 206 A N 1.616 124.510 122.820 0.124 0.000 2.520 206 A HA 0.453 4.773 4.320 -0.001 0.000 0.245 206 A C 0.197 177.802 177.584 0.035 0.000 1.072 206 A CA -0.024 52.047 52.037 0.056 0.000 0.761 206 A CB 0.138 19.153 19.000 0.024 0.000 1.004 206 A HN 0.603 nan 8.150 nan 0.000 0.499 207 Q N 0.491 120.292 119.800 0.002 0.000 2.399 207 Q HA 0.533 4.872 4.340 -0.001 0.000 0.276 207 Q C 0.330 176.247 176.000 -0.139 0.000 1.098 207 Q CA -0.396 55.392 55.803 -0.026 0.000 0.827 207 Q CB 2.075 30.826 28.738 0.022 0.000 1.386 207 Q HN 0.870 nan 8.270 nan 0.000 0.443 208 V N -1.212 118.528 119.914 -0.289 0.000 3.426 208 V HA 0.244 4.363 4.120 -0.001 0.000 0.279 208 V C -1.916 173.929 176.094 -0.415 0.000 1.544 208 V CA -0.271 61.732 62.300 -0.495 0.000 1.017 208 V CB -0.047 31.229 31.823 -0.912 0.000 0.821 208 V HN 0.573 nan 8.190 nan 0.000 0.432 209 P HA 0.009 nan 4.420 nan 0.000 0.279 209 P C 1.349 178.731 177.300 0.137 0.000 1.343 209 P CA 0.490 63.651 63.100 0.102 0.000 0.940 209 P CB 0.015 31.777 31.700 0.103 0.000 1.231 210 L N -2.388 118.957 121.223 0.204 0.000 3.343 210 L HA -0.365 3.975 4.340 -0.001 0.000 0.235 210 L C 2.445 179.403 176.870 0.147 0.000 1.157 210 L CA 2.864 57.804 54.840 0.166 0.000 0.796 210 L CB -3.028 39.104 42.059 0.122 0.000 0.994 210 L HN 0.630 nan 8.230 nan 0.000 0.465 211 E N -0.952 119.336 120.200 0.148 0.000 2.208 211 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 211 E C 1.876 178.568 176.600 0.154 0.000 0.988 211 E CA 1.030 57.504 56.400 0.124 0.000 0.828 211 E CB -0.831 28.931 29.700 0.104 0.000 0.763 211 E HN 0.622 nan 8.360 nan 0.000 0.478 212 F N 0.749 120.728 119.950 0.048 0.000 2.802 212 F HA 0.433 4.960 4.527 -0.001 0.000 0.300 212 F C 2.186 178.020 175.800 0.057 0.000 1.168 212 F CA 0.586 58.612 58.000 0.043 0.000 1.433 212 F CB -0.116 38.906 39.000 0.037 0.000 1.115 212 F HN 0.252 nan 8.300 nan 0.000 0.582 213 A N 1.037 123.918 122.820 0.101 0.000 1.855 213 A HA -0.173 4.146 4.320 -0.001 0.000 0.215 213 A C 2.304 179.851 177.584 -0.062 0.000 1.191 213 A CA 1.617 53.698 52.037 0.074 0.000 0.613 213 A CB -0.800 18.280 19.000 0.134 0.000 0.829 213 A HN 0.563 nan 8.150 nan 0.000 0.442 214 E N 0.403 120.570 120.200 -0.054 0.000 2.371 214 E HA 0.145 4.494 4.350 -0.001 0.000 0.194 214 E C 1.034 177.553 176.600 -0.134 0.000 1.012 214 E CA 0.691 57.047 56.400 -0.073 0.000 0.860 214 E CB -0.422 29.259 29.700 -0.032 0.000 0.811 214 E HN 0.381 nan 8.360 nan 0.000 0.502 215 A N 2.001 124.707 122.820 -0.191 0.000 3.110 215 A HA 0.074 4.394 4.320 -0.001 0.000 0.265 215 A C 0.281 177.632 177.584 -0.387 0.000 1.962 215 A CA 0.090 51.978 52.037 -0.248 0.000 1.493 215 A CB -0.721 18.141 19.000 -0.230 0.000 0.941 215 A HN 0.264 nan 8.150 nan 0.000 0.610 216 R N -1.199 119.147 120.500 -0.257 0.000 4.917 216 R HA -0.104 4.235 4.340 -0.001 0.000 0.168 216 R C 0.720 176.918 176.300 -0.169 0.000 0.882 216 R CA 0.063 56.026 56.100 -0.229 0.000 0.593 216 R CB -0.958 29.154 30.300 -0.313 0.000 2.036 216 R HN 0.748 nan 8.270 nan 0.000 0.384 217 G N 1.154 109.846 108.800 -0.180 0.000 3.008 217 G HA2 0.388 4.348 3.960 -0.001 0.000 0.272 217 G HA3 0.388 4.348 3.960 -0.001 0.000 0.272 217 G C 0.995 175.840 174.900 -0.092 0.000 0.764 217 G CA 1.459 46.469 45.100 -0.149 0.000 2.029 217 G HN 1.015 nan 8.290 nan 0.000 0.587 218 A N 0.410 123.193 122.820 -0.062 0.000 1.692 218 A HA 0.085 4.404 4.320 -0.001 0.000 0.227 218 A C 1.628 179.222 177.584 0.018 0.000 0.391 218 A CA 2.748 54.773 52.037 -0.020 0.000 1.099 218 A CB -1.447 17.548 19.000 -0.009 0.000 1.456 218 A HN 2.814 nan 8.150 nan 0.000 0.714 219 A N -3.928 118.941 122.820 0.083 0.000 2.911 219 A HA 0.522 4.842 4.320 -0.001 0.000 0.634 219 A C -0.570 177.136 177.584 0.204 0.000 0.665 219 A CA 0.337 52.465 52.037 0.152 0.000 0.253 219 A CB -1.299 17.741 19.000 0.066 0.000 3.624 219 A HN 2.459 nan 8.150 nan 0.000 0.545 220 L N -2.063 119.209 121.223 0.083 0.000 2.439 220 L HA 0.851 5.191 4.340 -0.001 0.000 0.270 220 L C 0.244 177.057 176.870 -0.096 0.000 0.972 220 L CA 0.307 55.135 54.840 -0.020 0.000 0.836 220 L CB 1.376 43.285 42.059 -0.249 0.000 1.255 220 L HN 1.911 nan 8.230 nan 0.000 0.404 221 S N 2.604 118.263 115.700 -0.070 0.000 2.608 221 S HA 0.492 4.962 4.470 -0.001 0.000 0.261 221 S C -1.440 173.070 174.600 -0.150 0.000 1.314 221 S CA -0.600 57.546 58.200 -0.090 0.000 0.992 221 S CB 0.395 63.564 63.200 -0.051 0.000 0.935 221 S HN 0.696 nan 8.310 nan 0.000 0.564 222 P HA -0.090 nan 4.420 nan 0.000 0.223 222 P C 0.806 178.029 177.300 -0.128 0.000 1.140 222 P CA 1.094 64.089 63.100 -0.175 0.000 0.783 222 P CB 0.013 31.638 31.700 -0.125 0.000 0.759 223 E N 0.549 120.695 120.200 -0.091 0.000 2.005 223 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 223 E C 1.608 178.175 176.600 -0.056 0.000 0.987 223 E CA 1.557 57.925 56.400 -0.054 0.000 0.814 223 E CB -0.861 28.822 29.700 -0.028 0.000 0.772 223 E HN 0.233 nan 8.360 nan 0.000 0.453 224 D N -0.003 120.359 120.400 -0.063 0.000 2.158 224 D HA -0.198 4.442 4.640 -0.001 0.000 0.197 224 D C 1.824 178.061 176.300 -0.105 0.000 0.995 224 D CA 1.016 54.975 54.000 -0.069 0.000 0.846 224 D CB -0.265 40.468 40.800 -0.112 0.000 0.941 224 D HN 0.015 nan 8.370 nan 0.000 0.456 225 R N 0.241 120.607 120.500 -0.223 0.000 2.105 225 R HA -0.079 4.260 4.340 -0.001 0.000 0.239 225 R C 2.097 178.330 176.300 -0.112 0.000 1.135 225 R CA 1.441 57.295 56.100 -0.410 0.000 0.967 225 R CB -0.183 29.696 30.300 -0.703 0.000 0.861 225 R HN 0.274 nan 8.270 nan 0.000 0.442 226 A N 1.406 124.187 122.820 -0.064 0.000 1.898 226 A HA -0.163 4.156 4.320 -0.001 0.000 0.214 226 A C 2.027 179.655 177.584 0.074 0.000 1.183 226 A CA 1.246 53.298 52.037 0.024 0.000 0.622 226 A CB -0.409 18.587 19.000 -0.007 0.000 0.824 226 A HN 0.486 nan 8.150 nan 0.000 0.444 227 R N 0.151 120.683 120.500 0.054 0.000 2.127 227 R HA -0.067 4.273 4.340 -0.001 0.000 0.238 227 R C 1.609 177.977 176.300 0.112 0.000 1.134 227 R CA 1.909 58.050 56.100 0.068 0.000 0.975 227 R CB -0.686 29.646 30.300 0.053 0.000 0.865 227 R HN 0.481 nan 8.270 nan 0.000 0.447 228 I N 1.250 121.924 120.570 0.173 0.000 2.286 228 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 228 I C 2.244 178.511 176.117 0.251 0.000 1.104 228 I CA 1.324 62.774 61.300 0.250 0.000 1.397 228 I CB -0.737 37.517 38.000 0.423 0.000 1.072 228 I HN 0.337 nan 8.210 nan 0.000 0.417 229 D N 1.702 122.265 120.400 0.272 0.000 2.087 229 D HA -0.249 4.391 4.640 -0.001 0.000 0.192 229 D C 2.067 178.426 176.300 0.099 0.000 0.993 229 D CA 2.350 56.458 54.000 0.179 0.000 0.828 229 D CB 0.312 41.222 40.800 0.185 0.000 0.968 229 D HN 0.392 nan 8.370 nan 0.000 0.448 230 E N 0.252 120.505 120.200 0.088 0.000 2.265 230 E HA -0.089 4.261 4.350 -0.001 0.000 0.196 230 E C 2.082 178.725 176.600 0.071 0.000 0.996 230 E CA 1.440 57.876 56.400 0.060 0.000 0.832 230 E CB -1.336 28.391 29.700 0.045 0.000 0.756 230 E HN 0.494 nan 8.360 nan 0.000 0.491 231 G N 0.311 109.167 108.800 0.093 0.000 2.422 231 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.218 231 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.218 231 G C 1.936 176.892 174.900 0.093 0.000 1.140 231 G CA 1.844 47.001 45.100 0.095 0.000 0.775 231 G HN 1.067 nan 8.290 nan 0.000 0.545 232 V N -2.042 117.926 119.914 0.090 0.000 3.307 232 V HA 0.340 4.459 4.120 -0.001 0.000 0.253 232 V C 2.201 178.332 176.094 0.062 0.000 1.149 232 V CA 1.115 63.460 62.300 0.076 0.000 1.112 232 V CB -0.045 31.811 31.823 0.055 0.000 0.777 232 V HN 0.247 nan 8.190 nan 0.000 0.464 233 R N 0.880 121.416 120.500 0.061 0.000 2.052 233 R HA 0.083 4.422 4.340 -0.001 0.000 0.226 233 R C 2.494 178.883 176.300 0.147 0.000 1.145 233 R CA 1.493 57.636 56.100 0.073 0.000 0.952 233 R CB -0.163 30.165 30.300 0.046 0.000 0.847 233 R HN 0.472 nan 8.270 nan 0.000 0.431 234 R N 0.325 120.900 120.500 0.125 0.000 2.316 234 R HA 0.042 4.382 4.340 -0.001 0.000 0.202 234 R C 2.067 178.483 176.300 0.195 0.000 1.029 234 R CA 0.560 56.758 56.100 0.164 0.000 1.018 234 R CB -0.161 30.180 30.300 0.069 0.000 0.888 234 R HN 0.223 nan 8.270 nan 0.000 0.471 235 A N 1.987 124.888 122.820 0.135 0.000 1.873 235 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 235 A C 2.414 180.039 177.584 0.068 0.000 1.193 235 A CA 2.025 54.117 52.037 0.092 0.000 0.629 235 A CB -0.721 18.324 19.000 0.075 0.000 0.826 235 A HN 0.398 nan 8.150 nan 0.000 0.447 236 A N -2.212 120.621 122.820 0.022 0.000 2.066 236 A HA 0.090 4.410 4.320 -0.001 0.000 0.218 236 A C 1.992 179.488 177.584 -0.148 0.000 1.157 236 A CA 1.273 53.253 52.037 -0.095 0.000 0.670 236 A CB -0.640 18.246 19.000 -0.190 0.000 0.804 236 A HN 0.620 nan 8.150 nan 0.000 0.453 237 Y N -0.653 119.648 120.300 0.000 0.000 2.243 237 Y HA -0.050 4.500 4.550 -0.001 0.000 0.293 237 Y C 2.464 178.367 175.900 0.005 0.000 1.124 237 Y CA 1.429 59.529 58.100 -0.000 0.000 1.159 237 Y CB -0.262 38.194 38.460 -0.007 0.000 1.008 237 Y HN 0.256 nan 8.280 nan 0.000 0.527 238 R N 0.693 121.287 120.500 0.156 0.000 2.127 238 R HA -0.174 4.166 4.340 -0.001 0.000 0.238 238 R C 1.726 178.060 176.300 0.057 0.000 1.134 238 R CA 1.655 57.810 56.100 0.093 0.000 0.975 238 R CB -0.425 29.919 30.300 0.073 0.000 0.865 238 R HN 0.386 nan 8.270 nan 0.000 0.447 239 I N -0.370 120.221 120.570 0.035 0.000 2.277 239 I HA -0.215 3.954 4.170 -0.001 0.000 0.243 239 I C 2.192 178.311 176.117 0.004 0.000 1.094 239 I CA 0.880 62.182 61.300 0.003 0.000 1.393 239 I CB -0.220 37.761 38.000 -0.031 0.000 1.078 239 I HN 0.137 nan 8.210 nan 0.000 0.417 240 I N 1.063 121.635 120.570 0.003 0.000 2.118 240 I HA -0.315 3.855 4.170 -0.001 0.000 0.241 240 I C 2.242 178.387 176.117 0.046 0.000 1.070 240 I CA 1.742 63.051 61.300 0.016 0.000 1.327 240 I CB -0.254 37.744 38.000 -0.003 0.000 1.034 240 I HN 0.236 nan 8.210 nan 0.000 0.405 241 E N -0.010 120.233 120.200 0.071 0.000 2.516 241 E HA -0.085 4.265 4.350 -0.001 0.000 0.199 241 E C 1.905 178.532 176.600 0.046 0.000 1.069 241 E CA 0.698 57.137 56.400 0.066 0.000 0.876 241 E CB -0.056 29.690 29.700 0.078 0.000 0.843 241 E HN 0.635 nan 8.360 nan 0.000 0.530 242 G N 1.722 110.545 108.800 0.040 0.000 2.743 242 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.206 242 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.206 242 G C 1.302 176.221 174.900 0.032 0.000 1.115 242 G CA 0.104 45.223 45.100 0.033 0.000 0.782 242 G HN 0.193 nan 8.290 nan 0.000 0.524 243 K N -1.591 118.828 120.400 0.032 0.000 2.603 243 K HA 0.500 4.820 4.320 -0.001 0.000 0.195 243 K C 1.057 177.690 176.600 0.054 0.000 1.213 243 K CA 0.598 56.909 56.287 0.041 0.000 1.084 243 K CB 0.685 33.207 32.500 0.036 0.000 0.981 243 K HN 0.461 nan 8.250 nan 0.000 0.577 244 G N 1.173 110.002 108.800 0.047 0.000 4.240 244 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.254 244 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.254 244 G C -0.090 174.842 174.900 0.055 0.000 1.712 244 G CA -0.182 44.950 45.100 0.054 0.000 1.374 244 G HN 0.771 nan 8.290 nan 0.000 0.631 245 A N -0.490 122.383 122.820 0.089 0.000 2.479 245 A HA 0.917 5.236 4.320 -0.001 0.000 0.296 245 A C 0.072 177.677 177.584 0.035 0.000 1.121 245 A CA 0.979 53.065 52.037 0.082 0.000 0.743 245 A CB 1.471 20.545 19.000 0.123 0.000 1.323 245 A HN 1.982 nan 8.150 nan 0.000 0.415 246 T N -0.873 113.666 114.554 -0.024 0.000 2.882 246 T HA 0.559 4.909 4.350 -0.001 0.000 0.287 246 T C 0.075 174.736 174.700 -0.065 0.000 0.992 246 T CA 0.612 62.625 62.100 -0.145 0.000 1.076 246 T CB 0.324 69.138 68.868 -0.091 0.000 0.961 246 T HN 1.355 nan 8.240 nan 0.000 0.490 247 Y N 1.311 121.541 120.300 -0.116 0.000 2.463 247 Y HA 0.305 4.854 4.550 -0.001 0.000 0.288 247 Y C 1.273 177.130 175.900 -0.071 0.000 1.041 247 Y CA -0.648 57.370 58.100 -0.136 0.000 1.054 247 Y CB -0.337 37.992 38.460 -0.219 0.000 1.380 247 Y HN 0.517 nan 8.280 nan 0.000 0.581 248 Y N 2.266 122.490 120.300 -0.126 0.000 2.109 248 Y HA 0.114 4.663 4.550 -0.001 0.000 0.285 248 Y C 2.731 178.632 175.900 0.001 0.000 1.131 248 Y CA 1.631 59.730 58.100 -0.001 0.000 1.121 248 Y CB -0.997 37.417 38.460 -0.077 0.000 0.987 248 Y HN 0.288 nan 8.280 nan 0.000 0.495 249 G N 0.940 109.820 108.800 0.134 0.000 2.586 249 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 249 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 249 G C 1.682 176.612 174.900 0.051 0.000 1.216 249 G CA 1.628 46.769 45.100 0.069 0.000 0.786 249 G HN 0.255 nan 8.290 nan 0.000 0.583 250 I N 1.901 122.491 120.570 0.033 0.000 2.091 250 I HA -0.188 3.982 4.170 -0.001 0.000 0.239 250 I C 3.167 179.303 176.117 0.031 0.000 1.061 250 I CA 1.652 62.958 61.300 0.011 0.000 1.317 250 I CB -1.817 36.184 38.000 0.001 0.000 1.031 250 I HN 0.281 nan 8.210 nan 0.000 0.401 251 G N 1.024 109.871 108.800 0.077 0.000 2.703 251 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.222 251 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.222 251 G C 1.842 176.785 174.900 0.073 0.000 1.183 251 G CA 2.024 47.184 45.100 0.099 0.000 0.775 251 G HN 0.552 nan 8.290 nan 0.000 0.615 252 A N 0.613 123.481 122.820 0.081 0.000 1.855 252 A HA 0.198 4.517 4.320 -0.001 0.000 0.215 252 A C 2.818 180.406 177.584 0.007 0.000 1.191 252 A CA 2.278 54.341 52.037 0.043 0.000 0.613 252 A CB -1.308 17.716 19.000 0.041 0.000 0.829 252 A HN 0.822 nan 8.150 nan 0.000 0.442 253 G N 0.089 108.890 108.800 0.002 0.000 2.553 253 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.218 253 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.218 253 G C 1.579 176.442 174.900 -0.062 0.000 1.195 253 G CA 1.232 46.315 45.100 -0.028 0.000 0.779 253 G HN 0.426 nan 8.290 nan 0.000 0.577 254 L N 0.767 121.962 121.223 -0.047 0.000 1.997 254 L HA -0.242 4.097 4.340 -0.001 0.000 0.216 254 L C 3.441 180.272 176.870 -0.065 0.000 1.074 254 L CA 1.515 56.321 54.840 -0.057 0.000 0.763 254 L CB -0.472 41.569 42.059 -0.031 0.000 0.890 254 L HN 0.339 nan 8.230 nan 0.000 0.434 255 A N -0.520 122.275 122.820 -0.040 0.000 2.024 255 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 255 A C 2.290 179.835 177.584 -0.065 0.000 1.164 255 A CA 1.978 53.991 52.037 -0.039 0.000 0.643 255 A CB -0.482 18.509 19.000 -0.016 0.000 0.806 255 A HN 0.345 nan 8.150 nan 0.000 0.451 256 R N -0.283 120.165 120.500 -0.087 0.000 2.127 256 R HA 0.183 4.523 4.340 -0.001 0.000 0.217 256 R C 1.787 177.945 176.300 -0.237 0.000 1.074 256 R CA 0.943 56.974 56.100 -0.115 0.000 0.991 256 R CB -0.582 29.666 30.300 -0.086 0.000 0.895 256 R HN 0.501 nan 8.270 nan 0.000 0.450 257 L N -0.093 120.951 121.223 -0.298 0.000 2.005 257 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 257 L C 2.323 179.073 176.870 -0.199 0.000 1.072 257 L CA 1.468 56.084 54.840 -0.373 0.000 0.744 257 L CB -0.843 41.042 42.059 -0.290 0.000 0.895 257 L HN 0.167 nan 8.230 nan 0.000 0.433 258 V N -0.322 119.517 119.914 -0.124 0.000 2.688 258 V HA -0.276 3.844 4.120 -0.001 0.000 0.256 258 V C 2.592 178.652 176.094 -0.057 0.000 1.084 258 V CA 1.861 64.117 62.300 -0.072 0.000 1.103 258 V CB -0.589 31.203 31.823 -0.051 0.000 0.688 258 V HN 0.470 nan 8.190 nan 0.000 0.480 259 R N 0.265 120.724 120.500 -0.068 0.000 2.061 259 R HA -0.026 4.313 4.340 -0.001 0.000 0.230 259 R C 2.460 178.749 176.300 -0.018 0.000 1.140 259 R CA 1.804 57.880 56.100 -0.039 0.000 0.940 259 R CB -0.871 29.408 30.300 -0.035 0.000 0.839 259 R HN 0.557 nan 8.270 nan 0.000 0.429 260 A N 1.193 123.999 122.820 -0.025 0.000 1.892 260 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 260 A C 2.207 179.812 177.584 0.035 0.000 1.188 260 A CA 1.901 53.966 52.037 0.047 0.000 0.631 260 A CB -0.725 18.339 19.000 0.105 0.000 0.822 260 A HN 0.428 nan 8.150 nan 0.000 0.447 261 I N -0.584 119.983 120.570 -0.005 0.000 2.113 261 I HA -0.238 3.932 4.170 -0.001 0.000 0.238 261 I C 2.307 178.428 176.117 0.007 0.000 1.070 261 I CA 0.929 62.231 61.300 0.003 0.000 1.332 261 I CB -0.345 37.646 38.000 -0.014 0.000 1.044 261 I HN 0.230 nan 8.210 nan 0.000 0.402 262 L N 0.651 121.872 121.223 -0.003 0.000 2.137 262 L HA -0.205 4.135 4.340 -0.001 0.000 0.213 262 L C 2.162 179.037 176.870 0.008 0.000 1.085 262 L CA 2.545 57.386 54.840 0.001 0.000 0.760 262 L CB -1.474 40.582 42.059 -0.006 0.000 0.893 262 L HN 0.511 nan 8.230 nan 0.000 0.434 263 T N -5.596 108.966 114.554 0.014 0.000 3.182 263 T HA 0.099 4.448 4.350 -0.001 0.000 0.277 263 T C 0.593 175.308 174.700 0.025 0.000 1.013 263 T CA -0.100 62.011 62.100 0.018 0.000 0.900 263 T CB 0.219 69.097 68.868 0.018 0.000 1.098 263 T HN 0.120 nan 8.240 nan 0.000 0.543 264 D N 1.896 122.313 120.400 0.027 0.000 2.686 264 D HA -0.200 4.439 4.640 -0.001 0.000 0.235 264 D C 0.803 177.126 176.300 0.039 0.000 1.160 264 D CA 0.955 54.973 54.000 0.031 0.000 0.645 264 D CB -1.218 39.595 40.800 0.023 0.000 1.039 264 D HN 0.801 nan 8.370 nan 0.000 0.423 265 E N 0.989 121.223 120.200 0.056 0.000 2.153 265 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 265 E C 0.421 177.054 176.600 0.056 0.000 0.988 265 E CA 1.246 57.686 56.400 0.067 0.000 0.811 265 E CB 0.023 29.793 29.700 0.116 0.000 0.746 265 E HN 0.420 nan 8.360 nan 0.000 0.466 266 K N -0.095 120.343 120.400 0.063 0.000 3.278 266 K HA -0.179 4.141 4.320 -0.001 0.000 0.270 266 K C -0.270 176.335 176.600 0.007 0.000 0.955 266 K CA 0.332 56.641 56.287 0.037 0.000 0.723 266 K CB -1.994 30.517 32.500 0.018 0.000 1.382 266 K HN 0.308 nan 8.250 nan 0.000 0.461 267 G N 0.078 108.883 108.800 0.008 0.000 2.481 267 G HA2 0.558 4.517 3.960 -0.001 0.000 0.315 267 G HA3 0.558 4.517 3.960 -0.001 0.000 0.315 267 G C -0.286 174.429 174.900 -0.309 0.000 1.231 267 G CA -0.473 44.540 45.100 -0.144 0.000 0.968 267 G HN 0.329 nan 8.290 nan 0.000 0.482 268 V N 0.605 120.314 119.914 -0.343 0.000 2.439 268 V HA 0.586 4.705 4.120 -0.001 0.000 0.271 268 V C -1.027 174.770 176.094 -0.496 0.000 1.040 268 V CA -0.580 61.543 62.300 -0.295 0.000 1.002 268 V CB -0.839 30.887 31.823 -0.161 0.000 1.000 268 V HN 0.481 nan 8.190 nan 0.000 0.477 269 Y N 2.667 122.977 120.300 0.017 0.000 2.567 269 Y HA 0.651 5.200 4.550 -0.001 0.000 0.333 269 Y C 1.093 177.000 175.900 0.012 0.000 1.106 269 Y CA -0.615 57.507 58.100 0.036 0.000 1.157 269 Y CB 1.756 40.225 38.460 0.016 0.000 1.277 269 Y HN 0.725 nan 8.280 nan 0.000 0.490 270 T N 0.182 114.855 114.554 0.197 0.000 2.997 270 T HA 0.547 4.897 4.350 -0.001 0.000 0.311 270 T C -0.552 174.190 174.700 0.070 0.000 1.079 270 T CA -0.617 61.538 62.100 0.090 0.000 0.982 270 T CB -1.178 67.755 68.868 0.109 0.000 1.032 270 T HN 0.572 nan 8.240 nan 0.000 0.581 271 V N 0.299 120.238 119.914 0.042 0.000 2.815 271 V HA 0.783 4.903 4.120 -0.001 0.000 0.314 271 V C 0.220 176.310 176.094 -0.007 0.000 1.064 271 V CA -1.103 61.208 62.300 0.018 0.000 0.952 271 V CB 1.756 33.595 31.823 0.025 0.000 1.020 271 V HN 0.674 nan 8.190 nan 0.000 0.439 272 S N 2.005 117.703 115.700 -0.004 0.000 2.499 272 S HA 0.775 5.244 4.470 -0.001 0.000 0.275 272 S C 0.006 174.613 174.600 0.010 0.000 1.257 272 S CA 0.397 58.597 58.200 0.000 0.000 1.050 272 S CB -0.102 63.105 63.200 0.012 0.000 0.937 272 S HN 1.783 nan 8.310 nan 0.000 0.490 273 A N 4.097 126.917 122.820 -0.000 0.000 2.564 273 A HA 0.742 5.062 4.320 -0.001 0.000 0.288 273 A C -1.145 176.450 177.584 0.017 0.000 1.164 273 A CA -0.806 51.242 52.037 0.018 0.000 0.712 273 A CB 0.611 19.610 19.000 -0.002 0.000 1.303 273 A HN 0.813 nan 8.150 nan 0.000 0.418 274 F N 1.320 121.161 119.950 -0.181 0.000 2.456 274 F HA 0.559 5.085 4.527 -0.001 0.000 0.358 274 F C 0.047 175.726 175.800 -0.203 0.000 1.095 274 F CA 0.534 58.373 58.000 -0.268 0.000 1.216 274 F CB 1.020 39.606 39.000 -0.689 0.000 1.125 274 F HN 0.381 nan 8.300 nan 0.000 0.549 275 T N 8.638 122.681 114.554 -0.852 0.000 2.809 275 T HA 0.257 4.607 4.350 -0.001 0.000 0.284 275 T C -1.886 172.423 174.700 -0.652 0.000 0.992 275 T CA -1.063 60.710 62.100 -0.546 0.000 0.957 275 T CB 1.759 70.481 68.868 -0.243 0.000 0.942 275 T HN 0.350 nan 8.240 nan 0.000 0.439 276 P HA -0.158 nan 4.420 nan 0.000 0.214 276 P C 0.317 177.499 177.300 -0.197 0.000 1.172 276 P CA 1.351 64.303 63.100 -0.246 0.000 0.925 276 P CB 0.361 31.997 31.700 -0.106 0.000 0.793 277 E N -1.262 118.855 120.200 -0.137 0.000 2.352 277 E HA 0.416 4.766 4.350 -0.001 0.000 0.280 277 E C -2.020 174.543 176.600 -0.061 0.000 0.930 277 E CA -0.875 55.461 56.400 -0.108 0.000 0.765 277 E CB 2.372 32.011 29.700 -0.102 0.000 1.219 277 E HN -0.142 nan 8.360 nan 0.000 0.434 278 V N 3.825 123.714 119.914 -0.042 0.000 2.532 278 V HA 0.359 4.478 4.120 -0.001 0.000 0.294 278 V C -0.495 175.591 176.094 -0.014 0.000 1.036 278 V CA -0.244 62.056 62.300 0.001 0.000 0.876 278 V CB 1.214 33.055 31.823 0.030 0.000 1.012 278 V HN 0.861 nan 8.190 nan 0.000 0.432 279 E N 4.406 124.597 120.200 -0.015 0.000 2.722 279 E HA -0.254 4.096 4.350 -0.001 0.000 0.265 279 E C 1.136 177.722 176.600 -0.023 0.000 1.081 279 E CA 1.516 57.907 56.400 -0.015 0.000 0.781 279 E CB -1.591 28.108 29.700 -0.002 0.000 1.372 279 E HN 2.105 nan 8.360 nan 0.000 0.423 280 G N -2.040 106.740 108.800 -0.033 0.000 2.238 280 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.217 280 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.217 280 G C 0.303 175.181 174.900 -0.037 0.000 0.996 280 G CA -0.060 45.019 45.100 -0.035 0.000 0.632 280 G HN 0.351 nan 8.290 nan 0.000 0.503 281 V N 2.407 122.300 119.914 -0.036 0.000 2.461 281 V HA 0.671 4.791 4.120 -0.001 0.000 0.275 281 V C 0.664 176.728 176.094 -0.049 0.000 1.047 281 V CA -0.519 61.759 62.300 -0.037 0.000 0.955 281 V CB 1.372 33.179 31.823 -0.027 0.000 0.988 281 V HN 0.293 nan 8.190 nan 0.000 0.471 282 L N 3.833 125.029 121.223 -0.045 0.000 2.387 282 L HA 0.480 4.820 4.340 -0.001 0.000 0.266 282 L C 0.726 177.576 176.870 -0.034 0.000 1.059 282 L CA 0.111 54.923 54.840 -0.047 0.000 0.801 282 L CB 0.399 42.446 42.059 -0.020 0.000 1.223 282 L HN 0.784 nan 8.230 nan 0.000 0.456 286 S N 6.835 122.594 115.700 0.098 0.000 2.466 286 S HA 0.738 5.208 4.470 -0.001 0.000 0.313 286 S C -0.385 174.235 174.600 0.034 0.000 1.078 286 S CA -0.460 57.784 58.200 0.075 0.000 1.115 286 S CB 0.442 63.733 63.200 0.152 0.000 1.006 286 S HN 1.032 nan 8.310 nan 0.000 0.487 287 L N 0.008 121.229 121.223 -0.005 0.000 2.235 287 L HA 0.822 5.162 4.340 -0.001 0.000 0.260 287 L C -0.095 176.762 176.870 -0.020 0.000 1.025 287 L CA -0.918 53.921 54.840 -0.002 0.000 0.836 287 L CB 0.454 42.510 42.059 -0.006 0.000 1.395 287 L HN 0.164 nan 8.230 nan 0.000 0.443 288 S N 1.005 116.696 115.700 -0.015 0.000 2.475 288 S HA 0.774 5.243 4.470 -0.001 0.000 0.281 288 S C -0.306 174.256 174.600 -0.064 0.000 1.198 288 S CA -0.427 57.757 58.200 -0.027 0.000 1.063 288 S CB 0.070 63.270 63.200 0.000 0.000 0.972 288 S HN 0.459 nan 8.310 nan 0.000 0.486 289 L N 3.190 124.348 121.223 -0.107 0.000 2.283 289 L HA 0.534 4.874 4.340 -0.001 0.000 0.259 289 L C -2.593 174.156 176.870 -0.202 0.000 1.027 289 L CA -3.075 51.655 54.840 -0.183 0.000 0.828 289 L CB 2.163 44.049 42.059 -0.289 0.000 1.380 289 L HN 0.305 nan 8.230 nan 0.000 0.425 290 P HA 0.171 nan 4.420 nan 0.000 0.264 290 P C -1.337 175.794 177.300 -0.282 0.000 1.229 290 P CA 0.183 63.059 63.100 -0.373 0.000 0.780 290 P CB 0.237 31.502 31.700 -0.725 0.000 0.808 291 R N 2.892 123.298 120.500 -0.158 0.000 2.744 291 R HA 0.498 4.838 4.340 -0.001 0.000 0.279 291 R C -0.539 175.730 176.300 -0.052 0.000 0.977 291 R CA -1.271 54.761 56.100 -0.113 0.000 0.906 291 R CB 1.407 31.662 30.300 -0.075 0.000 1.197 291 R HN 0.256 nan 8.270 nan 0.000 0.463 292 I N 2.998 123.540 120.570 -0.047 0.000 2.494 292 I HA 0.006 4.176 4.170 -0.001 0.000 0.289 292 I C -0.410 175.733 176.117 0.044 0.000 1.106 292 I CA -0.057 61.235 61.300 -0.014 0.000 1.369 292 I CB 0.197 38.186 38.000 -0.018 0.000 1.410 292 I HN 0.273 nan 8.210 nan 0.000 0.523 293 L N 7.774 129.068 121.223 0.118 0.000 2.287 293 L HA 0.872 5.211 4.340 -0.001 0.000 0.287 293 L C 0.202 177.150 176.870 0.130 0.000 1.022 293 L CA 0.344 55.279 54.840 0.158 0.000 0.814 293 L CB 0.677 42.905 42.059 0.281 0.000 1.217 293 L HN 0.635 nan 8.230 nan 0.000 0.420 294 G N 2.641 111.486 108.800 0.075 0.000 2.846 294 G HA2 0.517 4.476 3.960 -0.001 0.000 0.299 294 G HA3 0.517 4.476 3.960 -0.001 0.000 0.299 294 G C 0.087 175.010 174.900 0.038 0.000 1.242 294 G CA -0.009 45.124 45.100 0.056 0.000 0.800 294 G HN 0.724 nan 8.290 nan 0.000 0.538 295 A N -1.066 121.772 122.820 0.031 0.000 2.125 295 A HA 0.327 4.647 4.320 -0.001 0.000 0.219 295 A C 1.871 179.468 177.584 0.023 0.000 1.156 295 A CA 2.211 54.262 52.037 0.023 0.000 0.671 295 A CB -0.381 18.631 19.000 0.021 0.000 0.794 295 A HN 1.561 nan 8.150 nan 0.000 0.459 296 G N -2.175 106.641 108.800 0.027 0.000 3.774 296 G HA2 0.508 4.468 3.960 -0.001 0.000 0.287 296 G HA3 0.508 4.468 3.960 -0.001 0.000 0.287 296 G C 0.751 175.671 174.900 0.034 0.000 1.030 296 G CA 0.551 45.669 45.100 0.029 0.000 0.824 296 G HN 1.472 nan 8.290 nan 0.000 0.518 297 G N -0.367 108.453 108.800 0.033 0.000 2.475 297 G HA2 0.052 4.011 3.960 -0.001 0.000 0.223 297 G HA3 0.052 4.011 3.960 -0.001 0.000 0.223 297 G C 0.277 175.200 174.900 0.039 0.000 1.201 297 G CA 0.257 45.379 45.100 0.036 0.000 0.962 297 G HN 1.534 nan 8.290 nan 0.000 0.586 298 V N -0.049 119.886 119.914 0.036 0.000 2.572 298 V HA 0.729 4.849 4.120 -0.001 0.000 0.291 298 V C 0.297 176.406 176.094 0.026 0.000 1.039 298 V CA 0.680 62.996 62.300 0.026 0.000 1.055 298 V CB 1.049 32.876 31.823 0.006 0.000 0.969 298 V HN 0.881 nan 8.190 nan 0.000 0.482 302 T N -1.090 113.422 114.554 -0.070 0.000 2.991 302 T HA 0.607 4.956 4.350 -0.001 0.000 0.303 302 T C -0.810 173.690 174.700 -0.333 0.000 1.015 302 T CA -0.491 61.480 62.100 -0.214 0.000 1.007 302 T CB 1.585 70.299 68.868 -0.256 0.000 1.034 302 T HN 0.897 nan 8.240 nan 0.000 0.446 303 V N 5.181 124.863 119.914 -0.385 0.000 2.509 303 V HA 0.422 4.541 4.120 -0.001 0.000 0.284 303 V C -0.866 174.933 176.094 -0.490 0.000 1.047 303 V CA -0.660 61.459 62.300 -0.302 0.000 0.952 303 V CB 0.689 32.366 31.823 -0.243 0.000 0.988 303 V HN 0.901 nan 8.190 nan 0.000 0.469 304 Y N 5.662 125.905 120.300 -0.095 0.000 2.717 304 Y HA 0.430 4.979 4.550 -0.001 0.000 0.329 304 Y C -1.575 174.282 175.900 -0.070 0.000 1.017 304 Y CA -2.693 55.358 58.100 -0.082 0.000 1.275 304 Y CB 0.188 38.610 38.460 -0.063 0.000 1.109 304 Y HN 0.520 nan 8.280 nan 0.000 0.511 305 P HA 0.056 nan 4.420 nan 0.000 0.274 305 P C 0.107 177.433 177.300 0.042 0.000 1.231 305 P CA -0.348 62.745 63.100 -0.012 0.000 0.790 305 P CB 1.380 33.038 31.700 -0.070 0.000 0.951 306 S N 1.235 116.968 115.700 0.055 0.000 2.546 306 S HA 0.177 4.647 4.470 -0.001 0.000 0.290 306 S C -0.287 174.355 174.600 0.070 0.000 1.290 306 S CA -0.087 58.149 58.200 0.061 0.000 1.069 306 S CB -0.692 62.545 63.200 0.062 0.000 0.846 306 S HN 0.310 nan 8.310 nan 0.000 0.495 307 L N 4.252 125.512 121.223 0.062 0.000 2.401 307 L HA 0.508 4.847 4.340 -0.001 0.000 0.266 307 L C -0.025 176.881 176.870 0.059 0.000 0.991 307 L CA -0.168 54.712 54.840 0.065 0.000 0.818 307 L CB 2.360 44.453 42.059 0.056 0.000 1.321 307 L HN 0.829 nan 8.230 nan 0.000 0.413 308 S N 2.223 117.964 115.700 0.068 0.000 2.646 308 S HA 0.575 5.044 4.470 -0.001 0.000 0.276 308 S C -2.071 172.557 174.600 0.047 0.000 1.222 308 S CA -1.117 57.118 58.200 0.057 0.000 1.014 308 S CB 1.178 64.418 63.200 0.067 0.000 0.991 308 S HN 0.464 nan 8.310 nan 0.000 0.533 309 P HA -0.298 nan 4.420 nan 0.000 0.214 309 P C 1.301 178.619 177.300 0.030 0.000 1.099 309 P CA 2.308 65.424 63.100 0.027 0.000 0.976 309 P CB -0.228 31.485 31.700 0.021 0.000 0.774 310 E N -0.361 119.859 120.200 0.033 0.000 2.130 310 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 310 E C 2.012 178.639 176.600 0.045 0.000 0.998 310 E CA 1.304 57.724 56.400 0.034 0.000 0.806 310 E CB -0.789 28.930 29.700 0.033 0.000 0.738 310 E HN 0.426 nan 8.360 nan 0.000 0.459 311 E N 0.707 120.943 120.200 0.060 0.000 2.072 311 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 311 E C 2.237 178.864 176.600 0.045 0.000 0.985 311 E CA 0.624 57.064 56.400 0.066 0.000 0.801 311 E CB 0.015 29.767 29.700 0.087 0.000 0.750 311 E HN 0.172 nan 8.360 nan 0.000 0.452 312 R N 0.680 121.203 120.500 0.039 0.000 2.073 312 R HA -0.183 4.156 4.340 -0.001 0.000 0.234 312 R C 2.445 178.757 176.300 0.021 0.000 1.134 312 R CA 1.836 57.953 56.100 0.028 0.000 0.952 312 R CB -0.216 30.098 30.300 0.024 0.000 0.850 312 R HN 0.357 nan 8.270 nan 0.000 0.433 313 E N 0.384 120.595 120.200 0.019 0.000 2.047 313 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 313 E C 1.984 178.593 176.600 0.014 0.000 0.987 313 E CA 1.091 57.499 56.400 0.014 0.000 0.799 313 E CB -0.359 29.348 29.700 0.012 0.000 0.752 313 E HN 0.232 nan 8.360 nan 0.000 0.449 314 A N 1.444 124.276 122.820 0.020 0.000 1.958 314 A HA -0.210 4.110 4.320 -0.001 0.000 0.221 314 A C 2.239 179.832 177.584 0.014 0.000 1.178 314 A CA 1.720 53.768 52.037 0.019 0.000 0.642 314 A CB -0.710 18.307 19.000 0.029 0.000 0.816 314 A HN 0.349 nan 8.150 nan 0.000 0.453 315 L N -0.277 120.955 121.223 0.015 0.000 2.023 315 L HA -0.059 4.281 4.340 -0.001 0.000 0.205 315 L C 2.446 179.320 176.870 0.008 0.000 1.073 315 L CA 2.340 57.187 54.840 0.011 0.000 0.745 315 L CB -0.905 41.163 42.059 0.015 0.000 0.900 315 L HN 0.506 nan 8.230 nan 0.000 0.435 316 R N -0.680 119.824 120.500 0.007 0.000 2.127 316 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 316 R C 2.390 178.692 176.300 0.002 0.000 1.134 316 R CA 1.464 57.566 56.100 0.002 0.000 0.975 316 R CB -0.136 30.164 30.300 0.000 0.000 0.865 316 R HN 0.352 nan 8.270 nan 0.000 0.447 317 R N -0.609 119.894 120.500 0.005 0.000 2.115 317 R HA -0.052 4.287 4.340 -0.001 0.000 0.226 317 R C 2.461 178.765 176.300 0.007 0.000 1.100 317 R CA 1.396 57.499 56.100 0.005 0.000 0.980 317 R CB -0.152 30.152 30.300 0.006 0.000 0.875 317 R HN 0.159 nan 8.270 nan 0.000 0.445 318 S N 0.284 115.988 115.700 0.007 0.000 2.371 318 S HA -0.064 4.405 4.470 -0.001 0.000 0.224 318 S C 2.014 176.620 174.600 0.010 0.000 1.029 318 S CA 1.057 59.262 58.200 0.008 0.000 0.978 318 S CB -0.026 63.177 63.200 0.005 0.000 0.833 318 S HN 0.414 nan 8.310 nan 0.000 0.466 319 A N 1.757 124.581 122.820 0.006 0.000 1.972 319 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 319 A C 2.010 179.599 177.584 0.008 0.000 1.169 319 A CA 1.705 53.744 52.037 0.004 0.000 0.635 319 A CB -0.628 18.370 19.000 -0.003 0.000 0.810 319 A HN 0.889 nan 8.150 nan 0.000 0.446 320 E N -0.555 119.649 120.200 0.007 0.000 2.140 320 E HA 0.015 4.365 4.350 -0.001 0.000 0.191 320 E C 2.057 178.669 176.600 0.020 0.000 0.973 320 E CA 0.940 57.345 56.400 0.007 0.000 0.829 320 E CB -0.816 28.883 29.700 -0.002 0.000 0.781 320 E HN 0.475 nan 8.360 nan 0.000 0.466 321 I N 2.296 122.878 120.570 0.020 0.000 2.151 321 I HA -0.203 3.967 4.170 -0.001 0.000 0.243 321 I C 2.695 178.835 176.117 0.038 0.000 1.080 321 I CA 1.703 63.019 61.300 0.027 0.000 1.339 321 I CB -1.409 36.603 38.000 0.020 0.000 1.039 321 I HN 0.158 nan 8.210 nan 0.000 0.409 322 L N -0.492 120.753 121.223 0.037 0.000 2.042 322 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 322 L C 2.804 179.717 176.870 0.072 0.000 1.076 322 L CA 2.374 57.243 54.840 0.049 0.000 0.749 322 L CB -0.596 41.488 42.059 0.041 0.000 0.893 322 L HN 0.602 nan 8.230 nan 0.000 0.432 323 K N 0.668 121.107 120.400 0.066 0.000 2.026 323 K HA -0.250 4.069 4.320 -0.001 0.000 0.208 323 K C 1.981 178.662 176.600 0.134 0.000 1.048 323 K CA 1.665 58.006 56.287 0.091 0.000 0.929 323 K CB -0.135 32.390 32.500 0.041 0.000 0.713 323 K HN 0.091 nan 8.250 nan 0.000 0.439 324 E N 0.197 120.459 120.200 0.103 0.000 2.160 324 E HA -0.127 4.223 4.350 -0.001 0.000 0.195 324 E C 1.608 178.307 176.600 0.166 0.000 0.991 324 E CA 1.554 58.038 56.400 0.141 0.000 0.810 324 E CB -0.449 29.305 29.700 0.089 0.000 0.742 324 E HN 0.368 nan 8.360 nan 0.000 0.466 325 A N 0.919 123.811 122.820 0.121 0.000 1.858 325 A HA -0.029 4.291 4.320 -0.001 0.000 0.216 325 A C 2.502 180.165 177.584 0.131 0.000 1.190 325 A CA 2.264 54.362 52.037 0.102 0.000 0.617 325 A CB -1.238 17.803 19.000 0.068 0.000 0.827 325 A HN 0.416 nan 8.150 nan 0.000 0.443 326 A N -1.322 121.595 122.820 0.160 0.000 1.858 326 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 326 A C 2.067 179.815 177.584 0.273 0.000 1.190 326 A CA 1.698 53.861 52.037 0.210 0.000 0.617 326 A CB -0.843 18.293 19.000 0.227 0.000 0.827 326 A HN 0.659 nan 8.150 nan 0.000 0.443 327 F N 0.918 120.943 119.950 0.125 0.000 2.250 327 F HA -0.088 4.438 4.527 -0.001 0.000 0.301 327 F C 2.410 178.255 175.800 0.075 0.000 1.077 327 F CA 0.807 58.865 58.000 0.097 0.000 1.348 327 F CB -0.229 38.814 39.000 0.071 0.000 1.040 327 F HN 0.252 nan 8.300 nan 0.000 0.509 328 A N -0.311 122.571 122.820 0.102 0.000 1.897 328 A HA -0.093 4.227 4.320 -0.001 0.000 0.215 328 A C 2.028 179.605 177.584 -0.012 0.000 1.181 328 A CA 1.281 53.329 52.037 0.019 0.000 0.620 328 A CB -0.934 18.110 19.000 0.073 0.000 0.821 328 A HN 0.312 nan 8.150 nan 0.000 0.443 329 L N -1.333 119.941 121.223 0.085 0.000 2.093 329 L HA 0.090 4.430 4.340 -0.001 0.000 0.208 329 L C 1.731 178.653 176.870 0.087 0.000 1.085 329 L CA 1.990 56.934 54.840 0.173 0.000 0.755 329 L CB -1.033 41.222 42.059 0.327 0.000 0.904 329 L HN 0.753 nan 8.230 nan 0.000 0.435 330 G N -2.938 105.823 108.800 -0.065 0.000 2.192 330 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.152 330 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.152 330 G C -0.138 174.304 174.900 -0.763 0.000 1.057 330 G CA -0.425 44.379 45.100 -0.493 0.000 0.748 330 G HN 0.110 nan 8.290 nan 0.000 0.488 331 F N 0.000 119.924 119.950 -0.043 0.000 2.286 331 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 331 F CA 0.000 58.020 58.000 0.034 0.000 1.383 331 F CB 0.000 39.021 39.000 0.036 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574