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 2a6e_1_P DATA FIRST_RESID 74 DATA SEQUENCE KISTSDPVRQ YLHEIGQVPL LTLEEEVELA RKVEEGMEAI KKLSEITGLD DATA SEQUENCE PDLIREVVRA KILGSARVRH IPGLKETLDP KTVEEIDQKL KSLPKEHKRY DATA SEQUENCE LHIAREGEAA RQHLIEANLR LVVSIAKKYT GRGLSFLDLI QEGNQGLIRA DATA SEQUENCE VEKFEYKRRF KFSTYATWWI RQAINRAIAD QARTIRIPVH MVETINKLSR DATA SEQUENCE TARQLQQELG REPTYEEIAE AMGPGWDAKR VEETLKIAQE PVSLETPIGD DATA SEQUENCE EKDSFYGDFI PDEHLPSPVD AATQSLLSEE LEKALSKLSE REAMVLKLRK DATA SEQUENCE GLIDGXXXXX EEVGAFFGVT RERIRQIENK ALRKLKYHES RTRKLRDFLD 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 74 K HA 0.000 nan 4.320 nan 0.000 0.191 74 K C 0.000 176.604 176.600 0.007 0.000 0.988 74 K CA 0.000 56.290 56.287 0.004 0.000 0.838 74 K CB 0.000 32.504 32.500 0.006 0.000 1.064 75 I N 1.775 122.352 120.570 0.011 0.000 2.354 75 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 75 I C 1.430 177.555 176.117 0.013 0.000 0.989 75 I CA -0.013 61.297 61.300 0.017 0.000 1.188 75 I CB 1.925 39.940 38.000 0.024 0.000 1.342 75 I HN 0.419 nan 8.210 nan 0.000 0.457 76 S N 3.072 118.780 115.700 0.014 0.000 2.399 76 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 76 S C 2.040 176.641 174.600 0.002 0.000 1.022 76 S CA 2.198 60.400 58.200 0.003 0.000 0.983 76 S CB -0.146 63.057 63.200 0.005 0.000 0.803 76 S HN 0.898 nan 8.310 nan 0.000 0.480 77 T N -0.469 114.104 114.554 0.031 0.000 2.643 77 T HA -0.119 4.231 4.350 -0.000 0.000 0.264 77 T C 2.066 176.780 174.700 0.024 0.000 1.045 77 T CA 1.883 64.006 62.100 0.039 0.000 1.155 77 T CB -1.359 67.584 68.868 0.125 0.000 0.863 77 T HN 0.401 nan 8.240 nan 0.000 0.420 78 S N 2.175 117.896 115.700 0.035 0.000 2.378 78 S HA -0.325 4.145 4.470 -0.000 0.000 0.229 78 S C 1.958 176.553 174.600 -0.009 0.000 1.052 78 S CA 2.517 60.731 58.200 0.022 0.000 1.084 78 S CB -1.222 61.992 63.200 0.023 0.000 0.950 78 S HN 0.695 nan 8.310 nan 0.000 0.440 79 D N 1.431 121.818 120.400 -0.022 0.000 2.087 79 D HA -0.050 4.590 4.640 -0.000 0.000 0.192 79 D C -0.562 175.668 176.300 -0.117 0.000 0.993 79 D CA 1.817 55.788 54.000 -0.048 0.000 0.828 79 D CB -1.169 39.604 40.800 -0.044 0.000 0.968 79 D HN 0.341 nan 8.370 nan 0.000 0.448 80 P HA -0.120 nan 4.420 nan 0.000 0.215 80 P C 1.912 179.008 177.300 -0.341 0.000 1.157 80 P CA 1.044 63.916 63.100 -0.380 0.000 0.868 80 P CB -0.109 31.445 31.700 -0.244 0.000 0.788 81 V N 0.318 120.223 119.914 -0.014 0.000 2.250 81 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 81 V C 2.688 178.800 176.094 0.030 0.000 1.060 81 V CA 2.170 64.545 62.300 0.125 0.000 1.030 81 V CB -1.132 30.742 31.823 0.085 0.000 0.643 81 V HN 0.060 nan 8.190 nan 0.000 0.445 82 R N -0.816 119.648 120.500 -0.060 0.000 2.083 82 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 82 R C 2.572 178.842 176.300 -0.050 0.000 1.137 82 R CA 1.764 57.779 56.100 -0.141 0.000 0.951 82 R CB -0.333 29.939 30.300 -0.047 0.000 0.851 82 R HN 0.521 nan 8.270 nan 0.000 0.434 83 Q N -0.353 119.391 119.800 -0.093 0.000 2.014 83 Q HA -0.225 4.115 4.340 -0.000 0.000 0.207 83 Q C 2.000 177.934 176.000 -0.110 0.000 0.993 83 Q CA 2.231 57.942 55.803 -0.153 0.000 0.850 83 Q CB -0.267 28.226 28.738 -0.407 0.000 0.916 83 Q HN 0.509 nan 8.270 nan 0.000 0.417 84 Y N -0.382 119.922 120.300 0.006 0.000 2.314 84 Y HA -0.014 4.536 4.550 -0.000 0.000 0.294 84 Y C 2.304 178.207 175.900 0.004 0.000 1.119 84 Y CA 0.164 58.264 58.100 0.001 0.000 1.179 84 Y CB -0.664 37.783 38.460 -0.022 0.000 1.025 84 Y HN -0.014 nan 8.280 nan 0.000 0.541 85 L N -0.106 121.237 121.223 0.201 0.000 2.079 85 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 85 L C 2.394 179.289 176.870 0.041 0.000 1.081 85 L CA 1.818 56.703 54.840 0.074 0.000 0.752 85 L CB -0.924 41.133 42.059 -0.004 0.000 0.896 85 L HN 0.418 nan 8.230 nan 0.000 0.433 86 H N -0.241 118.858 119.070 0.048 0.000 2.321 86 H HA -0.177 4.379 4.556 -0.000 0.000 0.300 86 H C 2.172 177.516 175.328 0.027 0.000 1.087 86 H CA 1.659 57.721 56.048 0.024 0.000 1.319 86 H CB 0.130 29.891 29.762 -0.002 0.000 1.379 86 H HN 0.273 nan 8.280 nan 0.000 0.501 87 E N 0.478 120.780 120.200 0.170 0.000 2.152 87 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 87 E C 2.256 178.912 176.600 0.092 0.000 0.983 87 E CA 0.390 56.853 56.400 0.105 0.000 0.818 87 E CB -0.168 29.580 29.700 0.079 0.000 0.758 87 E HN 0.401 nan 8.360 nan 0.000 0.467 88 I N -0.431 120.196 120.570 0.095 0.000 2.353 88 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 88 I C 2.315 178.468 176.117 0.062 0.000 1.119 88 I CA 1.054 62.395 61.300 0.069 0.000 1.417 88 I CB -0.409 37.626 38.000 0.059 0.000 1.078 88 I HN 0.191 nan 8.210 nan 0.000 0.421 89 G N 0.002 108.845 108.800 0.072 0.000 2.450 89 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 89 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 89 G C 1.661 176.600 174.900 0.065 0.000 1.130 89 G CA 0.563 45.704 45.100 0.068 0.000 0.760 89 G HN 0.280 nan 8.290 nan 0.000 0.557 90 Q N -0.672 119.171 119.800 0.071 0.000 2.402 90 Q HA 0.143 4.483 4.340 -0.000 0.000 0.206 90 Q C 0.530 176.560 176.000 0.049 0.000 0.919 90 Q CA 0.451 56.287 55.803 0.055 0.000 0.923 90 Q CB 1.099 29.868 28.738 0.052 0.000 1.048 90 Q HN 0.441 nan 8.270 nan 0.000 0.515 91 V N -0.005 119.942 119.914 0.056 0.000 2.666 91 V HA 0.330 4.450 4.120 -0.000 0.000 0.269 91 V C -2.719 173.400 176.094 0.042 0.000 0.926 91 V CA -1.766 60.566 62.300 0.052 0.000 1.035 91 V CB 0.756 32.635 31.823 0.094 0.000 1.099 91 V HN -0.082 nan 8.190 nan 0.000 0.519 92 P HA 0.444 nan 4.420 nan 0.000 0.276 92 P C -0.299 177.004 177.300 0.005 0.000 1.244 92 P CA -0.302 62.810 63.100 0.020 0.000 0.801 92 P CB 1.071 32.783 31.700 0.020 0.000 1.006 93 L N 1.541 122.760 121.223 -0.006 0.000 2.305 93 L HA 0.275 4.615 4.340 -0.000 0.000 0.281 93 L C 0.706 177.565 176.870 -0.019 0.000 1.085 93 L CA -1.030 53.795 54.840 -0.026 0.000 0.813 93 L CB 0.438 42.465 42.059 -0.054 0.000 1.157 93 L HN 0.283 nan 8.230 nan 0.000 0.436 94 L N 2.591 123.801 121.223 -0.023 0.000 2.499 94 L HA -0.029 4.311 4.340 -0.000 0.000 0.281 94 L C 1.565 178.431 176.870 -0.008 0.000 1.234 94 L CA 0.915 55.747 54.840 -0.013 0.000 0.839 94 L CB 0.891 42.940 42.059 -0.016 0.000 1.104 94 L HN 0.689 nan 8.230 nan 0.000 0.500 95 T N 3.911 118.468 114.554 0.005 0.000 2.592 95 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 95 T C 1.417 176.126 174.700 0.016 0.000 1.060 95 T CA 2.712 64.822 62.100 0.017 0.000 1.167 95 T CB -0.356 68.528 68.868 0.026 0.000 0.863 95 T HN 0.619 nan 8.240 nan 0.000 0.431 96 L N -0.894 120.337 121.223 0.013 0.000 2.379 96 L HA 0.369 4.709 4.340 -0.000 0.000 0.190 96 L C 2.498 179.368 176.870 -0.001 0.000 1.111 96 L CA -0.024 54.826 54.840 0.017 0.000 0.820 96 L CB -0.842 41.233 42.059 0.026 0.000 1.046 96 L HN -0.139 nan 8.230 nan 0.000 0.485 97 E N 1.728 121.923 120.200 -0.008 0.000 2.028 97 E HA -0.306 4.044 4.350 -0.000 0.000 0.217 97 E C 2.000 178.572 176.600 -0.047 0.000 1.039 97 E CA 2.277 58.663 56.400 -0.023 0.000 0.882 97 E CB -0.590 29.096 29.700 -0.024 0.000 0.794 97 E HN 0.559 nan 8.360 nan 0.000 0.488 98 E N 0.607 120.774 120.200 -0.055 0.000 2.097 98 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 98 E C 2.113 178.651 176.600 -0.104 0.000 1.000 98 E CA 1.286 57.638 56.400 -0.081 0.000 0.804 98 E CB -0.085 29.570 29.700 -0.075 0.000 0.740 98 E HN 0.330 nan 8.360 nan 0.000 0.454 99 E N 0.236 120.379 120.200 -0.095 0.000 2.150 99 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 99 E C 2.283 178.811 176.600 -0.120 0.000 0.985 99 E CA 0.720 57.039 56.400 -0.136 0.000 0.814 99 E CB 0.048 29.677 29.700 -0.119 0.000 0.752 99 E HN 0.122 nan 8.360 nan 0.000 0.466 100 V N 1.477 121.350 119.914 -0.069 0.000 2.270 100 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 100 V C 2.313 178.313 176.094 -0.157 0.000 1.043 100 V CA 1.999 64.267 62.300 -0.054 0.000 1.014 100 V CB -0.401 31.424 31.823 0.003 0.000 0.645 100 V HN 0.219 nan 8.190 nan 0.000 0.447 101 E N -0.063 120.058 120.200 -0.131 0.000 2.026 101 E HA -0.272 4.078 4.350 -0.000 0.000 0.206 101 E C 2.138 178.624 176.600 -0.190 0.000 1.028 101 E CA 2.217 58.528 56.400 -0.149 0.000 0.845 101 E CB -0.323 29.308 29.700 -0.116 0.000 0.772 101 E HN 0.494 nan 8.360 nan 0.000 0.462 102 L N 0.267 121.385 121.223 -0.175 0.000 2.013 102 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 102 L C 2.584 179.331 176.870 -0.205 0.000 1.073 102 L CA 1.433 56.168 54.840 -0.175 0.000 0.753 102 L CB -0.667 41.286 42.059 -0.176 0.000 0.890 102 L HN 0.260 nan 8.230 nan 0.000 0.432 103 A N -0.059 122.621 122.820 -0.233 0.000 1.873 103 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 103 A C 2.450 179.760 177.584 -0.457 0.000 1.193 103 A CA 2.236 54.134 52.037 -0.231 0.000 0.629 103 A CB -0.752 18.181 19.000 -0.111 0.000 0.826 103 A HN 0.371 nan 8.150 nan 0.000 0.447 104 R N -0.140 119.910 120.500 -0.751 0.000 2.103 104 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 104 R C 2.170 178.250 176.300 -0.368 0.000 1.142 104 R CA 2.046 57.614 56.100 -0.888 0.000 0.960 104 R CB -0.241 29.687 30.300 -0.620 0.000 0.858 104 R HN 0.604 nan 8.270 nan 0.000 0.439 105 K N -0.392 119.858 120.400 -0.251 0.000 2.097 105 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 105 K C 2.056 178.594 176.600 -0.103 0.000 1.050 105 K CA 1.380 57.580 56.287 -0.145 0.000 0.938 105 K CB -0.045 32.383 32.500 -0.120 0.000 0.718 105 K HN 0.043 nan 8.250 nan 0.000 0.442 106 V N 2.030 121.879 119.914 -0.107 0.000 2.255 106 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 106 V C 2.221 178.305 176.094 -0.016 0.000 1.051 106 V CA 1.801 64.070 62.300 -0.051 0.000 1.018 106 V CB -0.403 31.398 31.823 -0.038 0.000 0.641 106 V HN 0.338 nan 8.190 nan 0.000 0.445 107 E N -0.474 119.719 120.200 -0.012 0.000 2.077 107 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 107 E C 2.290 178.913 176.600 0.039 0.000 0.989 107 E CA 1.275 57.709 56.400 0.057 0.000 0.800 107 E CB -0.074 29.732 29.700 0.177 0.000 0.746 107 E HN 0.484 nan 8.360 nan 0.000 0.452 108 E N -0.035 120.163 120.200 -0.004 0.000 2.153 108 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 108 E C 1.811 178.398 176.600 -0.022 0.000 0.988 108 E CA 1.045 57.430 56.400 -0.025 0.000 0.811 108 E CB -0.548 29.110 29.700 -0.070 0.000 0.746 108 E HN 0.330 nan 8.360 nan 0.000 0.466 109 G N 1.032 109.825 108.800 -0.013 0.000 2.433 109 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 109 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 109 G C 1.592 176.513 174.900 0.035 0.000 1.186 109 G CA 1.199 46.303 45.100 0.007 0.000 0.779 109 G HN 0.372 nan 8.290 nan 0.000 0.543 110 M N 0.356 119.978 119.600 0.037 0.000 2.255 110 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 110 M C 2.380 178.722 176.300 0.070 0.000 1.069 110 M CA 2.511 57.841 55.300 0.050 0.000 1.089 110 M CB -0.574 32.056 32.600 0.051 0.000 1.269 110 M HN 0.288 nan 8.290 nan 0.000 0.434 111 E N 0.098 120.343 120.200 0.076 0.000 2.171 111 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 111 E C 1.980 178.699 176.600 0.198 0.000 0.997 111 E CA 1.416 57.884 56.400 0.113 0.000 0.810 111 E CB -0.214 29.544 29.700 0.096 0.000 0.738 111 E HN 0.730 nan 8.360 nan 0.000 0.467 112 A N 1.120 124.040 122.820 0.166 0.000 1.840 112 A HA -0.150 4.170 4.320 -0.000 0.000 0.214 112 A C 2.160 179.886 177.584 0.237 0.000 1.198 112 A CA 1.022 53.242 52.037 0.305 0.000 0.608 112 A CB -0.602 18.469 19.000 0.119 0.000 0.839 112 A HN 0.122 nan 8.150 nan 0.000 0.443 113 I N -0.131 120.512 120.570 0.122 0.000 2.118 113 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 113 I C 2.530 178.679 176.117 0.054 0.000 1.070 113 I CA 1.948 63.292 61.300 0.073 0.000 1.327 113 I CB -0.363 37.667 38.000 0.050 0.000 1.034 113 I HN 0.274 nan 8.210 nan 0.000 0.405 114 K N 0.800 121.236 120.400 0.060 0.000 2.009 114 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 114 K C 2.150 178.753 176.600 0.005 0.000 1.049 114 K CA 1.371 57.678 56.287 0.033 0.000 0.929 114 K CB -0.158 32.368 32.500 0.043 0.000 0.714 114 K HN 0.264 nan 8.250 nan 0.000 0.440 115 K N 0.854 121.267 120.400 0.022 0.000 2.209 115 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 115 K C 2.151 178.650 176.600 -0.169 0.000 1.048 115 K CA 0.906 57.131 56.287 -0.103 0.000 0.940 115 K CB -0.141 32.234 32.500 -0.209 0.000 0.729 115 K HN 0.192 nan 8.250 nan 0.000 0.451 116 L N 1.117 122.297 121.223 -0.071 0.000 2.027 116 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 116 L C 2.732 179.553 176.870 -0.083 0.000 1.074 116 L CA 1.490 56.283 54.840 -0.078 0.000 0.745 116 L CB -0.633 41.425 42.059 -0.001 0.000 0.898 116 L HN 0.252 nan 8.230 nan 0.000 0.433 117 S N -0.682 114.988 115.700 -0.049 0.000 2.382 117 S HA -0.224 4.246 4.470 -0.000 0.000 0.228 117 S C 1.689 176.250 174.600 -0.066 0.000 1.027 117 S CA 1.243 59.417 58.200 -0.044 0.000 0.991 117 S CB -0.383 62.804 63.200 -0.021 0.000 0.823 117 S HN 0.451 nan 8.310 nan 0.000 0.469 118 E N 1.053 121.200 120.200 -0.087 0.000 2.051 118 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 118 E C 1.920 178.438 176.600 -0.138 0.000 0.991 118 E CA 1.651 57.989 56.400 -0.103 0.000 0.799 118 E CB -0.323 29.307 29.700 -0.117 0.000 0.748 118 E HN 0.668 nan 8.360 nan 0.000 0.449 119 I N 0.237 120.683 120.570 -0.207 0.000 3.030 119 I HA -0.093 4.077 4.170 -0.000 0.000 0.270 119 I C 1.856 177.882 176.117 -0.151 0.000 1.211 119 I CA 0.735 61.886 61.300 -0.248 0.000 1.479 119 I CB 0.212 37.913 38.000 -0.498 0.000 1.105 119 I HN -0.007 nan 8.210 nan 0.000 0.447 120 T N -0.301 114.185 114.554 -0.113 0.000 3.040 120 T HA 0.199 4.549 4.350 -0.000 0.000 0.252 120 T C 1.714 176.384 174.700 -0.049 0.000 1.064 120 T CA 0.720 62.779 62.100 -0.069 0.000 1.110 120 T CB 0.300 69.136 68.868 -0.053 0.000 0.921 120 T HN 0.495 nan 8.240 nan 0.000 0.480 121 G N 1.162 109.931 108.800 -0.051 0.000 2.162 121 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 121 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 121 G C -0.098 174.786 174.900 -0.026 0.000 0.976 121 G CA -0.131 44.947 45.100 -0.036 0.000 0.655 121 G HN 0.427 nan 8.290 nan 0.000 0.533 122 L N 1.346 122.552 121.223 -0.027 0.000 2.334 122 L HA 0.505 4.845 4.340 -0.000 0.000 0.277 122 L C 0.333 177.195 176.870 -0.014 0.000 1.075 122 L CA -0.451 54.378 54.840 -0.018 0.000 0.804 122 L CB 0.986 43.035 42.059 -0.017 0.000 1.174 122 L HN 0.183 nan 8.230 nan 0.000 0.438 123 D N 4.579 124.974 120.400 -0.008 0.000 2.455 123 D HA 0.050 4.690 4.640 -0.000 0.000 0.241 123 D C -1.608 174.692 176.300 0.000 0.000 1.138 123 D CA -0.518 53.480 54.000 -0.003 0.000 0.877 123 D CB 0.449 41.249 40.800 0.000 0.000 1.187 123 D HN 0.376 nan 8.370 nan 0.000 0.451 124 P HA -0.169 nan 4.420 nan 0.000 0.221 124 P C 0.571 177.878 177.300 0.012 0.000 1.145 124 P CA 0.925 64.030 63.100 0.009 0.000 0.795 124 P CB 0.134 31.843 31.700 0.014 0.000 0.775 125 D N -1.110 119.296 120.400 0.011 0.000 2.149 125 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 125 D C 1.627 177.933 176.300 0.010 0.000 0.972 125 D CA 0.950 54.958 54.000 0.012 0.000 0.835 125 D CB -0.693 40.114 40.800 0.012 0.000 0.966 125 D HN 0.111 nan 8.370 nan 0.000 0.476 126 L N 1.082 122.309 121.223 0.006 0.000 2.044 126 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 126 L C 2.584 179.457 176.870 0.005 0.000 1.075 126 L CA 0.732 55.574 54.840 0.004 0.000 0.747 126 L CB -0.842 41.218 42.059 0.001 0.000 0.903 126 L HN 0.016 nan 8.230 nan 0.000 0.435 127 I N -0.359 120.213 120.570 0.005 0.000 2.335 127 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 127 I C 2.662 178.786 176.117 0.011 0.000 1.129 127 I CA 1.203 62.506 61.300 0.006 0.000 1.402 127 I CB -0.852 37.153 38.000 0.007 0.000 1.069 127 I HN 0.370 nan 8.210 nan 0.000 0.424 128 R N 0.680 121.188 120.500 0.013 0.000 2.090 128 R HA -0.110 4.230 4.340 -0.000 0.000 0.228 128 R C 2.160 178.468 176.300 0.013 0.000 1.110 128 R CA 0.977 57.086 56.100 0.016 0.000 0.973 128 R CB 0.119 30.430 30.300 0.018 0.000 0.869 128 R HN 0.181 nan 8.270 nan 0.000 0.440 129 E N -0.070 120.137 120.200 0.011 0.000 2.158 129 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 129 E C 1.947 178.553 176.600 0.010 0.000 0.982 129 E CA 0.894 57.300 56.400 0.011 0.000 0.823 129 E CB 0.162 29.867 29.700 0.009 0.000 0.766 129 E HN 0.190 nan 8.360 nan 0.000 0.468 130 V N 0.593 120.512 119.914 0.008 0.000 2.379 130 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 130 V C 2.496 178.595 176.094 0.008 0.000 1.044 130 V CA 1.016 63.320 62.300 0.007 0.000 1.036 130 V CB -0.418 31.407 31.823 0.004 0.000 0.664 130 V HN 0.054 nan 8.190 nan 0.000 0.453 131 V N -0.169 119.750 119.914 0.009 0.000 2.626 131 V HA -0.167 3.953 4.120 -0.000 0.000 0.252 131 V C 2.746 178.847 176.094 0.012 0.000 1.067 131 V CA 1.585 63.892 62.300 0.010 0.000 1.081 131 V CB -0.669 31.162 31.823 0.013 0.000 0.686 131 V HN 0.448 nan 8.190 nan 0.000 0.468 132 R N 0.136 120.643 120.500 0.011 0.000 2.070 132 R HA -0.087 4.253 4.340 -0.000 0.000 0.233 132 R C 2.436 178.742 176.300 0.010 0.000 1.137 132 R CA 1.590 57.696 56.100 0.011 0.000 0.945 132 R CB -1.078 29.228 30.300 0.011 0.000 0.845 132 R HN 0.519 nan 8.270 nan 0.000 0.430 133 A N 2.003 124.830 122.820 0.011 0.000 1.873 133 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 133 A C 2.068 179.659 177.584 0.012 0.000 1.193 133 A CA 1.637 53.681 52.037 0.012 0.000 0.629 133 A CB -0.325 18.683 19.000 0.013 0.000 0.826 133 A HN 0.120 nan 8.150 nan 0.000 0.447 134 K N -0.786 119.621 120.400 0.012 0.000 2.147 134 K HA -0.000 4.320 4.320 -0.000 0.000 0.205 134 K C 1.719 178.328 176.600 0.014 0.000 1.049 134 K CA 0.815 57.110 56.287 0.013 0.000 0.936 134 K CB -0.358 32.150 32.500 0.013 0.000 0.722 134 K HN 0.522 nan 8.250 nan 0.000 0.446 135 I N 1.009 121.587 120.570 0.014 0.000 2.927 135 I HA -0.081 4.089 4.170 -0.000 0.000 0.268 135 I C 1.475 177.598 176.117 0.008 0.000 1.153 135 I CA 0.633 61.941 61.300 0.014 0.000 1.459 135 I CB -0.042 37.967 38.000 0.016 0.000 1.149 135 I HN -0.054 nan 8.210 nan 0.000 0.443 136 L N -0.737 120.489 121.223 0.006 0.000 2.357 136 L HA 0.561 4.901 4.340 -0.000 0.000 0.211 136 L C 0.786 177.657 176.870 0.002 0.000 1.075 136 L CA 0.550 55.391 54.840 0.001 0.000 0.830 136 L CB -1.135 40.924 42.059 0.000 0.000 0.996 136 L HN 0.077 nan 8.230 nan 0.000 0.467 137 G N -1.062 107.741 108.800 0.006 0.000 2.616 137 G HA2 0.510 4.470 3.960 -0.000 0.000 0.294 137 G HA3 0.510 4.470 3.960 -0.000 0.000 0.294 137 G C -1.039 173.867 174.900 0.010 0.000 1.489 137 G CA -0.005 45.099 45.100 0.007 0.000 0.836 137 G HN 0.147 nan 8.290 nan 0.000 0.527 138 S N -0.030 115.675 115.700 0.009 0.000 2.602 138 S HA 0.468 4.938 4.470 -0.000 0.000 0.257 138 S C 2.225 176.836 174.600 0.018 0.000 1.250 138 S CA 0.248 58.455 58.200 0.010 0.000 0.986 138 S CB 0.616 63.819 63.200 0.005 0.000 1.040 138 S HN 1.632 nan 8.310 nan 0.000 0.562 139 A N 1.033 123.863 122.820 0.018 0.000 2.032 139 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 139 A C 2.169 179.782 177.584 0.048 0.000 1.165 139 A CA 1.999 54.055 52.037 0.033 0.000 0.645 139 A CB -0.929 18.084 19.000 0.023 0.000 0.807 139 A HN 0.829 nan 8.150 nan 0.000 0.453 140 R N -0.843 119.671 120.500 0.022 0.000 2.080 140 R HA -0.086 4.254 4.340 -0.000 0.000 0.236 140 R C 1.798 178.129 176.300 0.053 0.000 1.137 140 R CA 1.655 57.767 56.100 0.020 0.000 0.943 140 R CB -1.242 29.057 30.300 -0.001 0.000 0.846 140 R HN 0.265 nan 8.270 nan 0.000 0.431 141 V N 2.253 122.190 119.914 0.039 0.000 2.809 141 V HA -0.098 4.022 4.120 -0.000 0.000 0.256 141 V C 2.159 178.280 176.094 0.046 0.000 1.080 141 V CA 1.333 63.655 62.300 0.038 0.000 1.102 141 V CB -0.385 31.451 31.823 0.022 0.000 0.705 141 V HN 0.443 nan 8.190 nan 0.000 0.475 142 R N -0.950 119.584 120.500 0.056 0.000 2.100 142 R HA -0.059 4.281 4.340 -0.000 0.000 0.220 142 R C 2.281 178.617 176.300 0.059 0.000 1.091 142 R CA 1.283 57.411 56.100 0.047 0.000 0.986 142 R CB -1.087 29.237 30.300 0.041 0.000 0.888 142 R HN 0.620 nan 8.270 nan 0.000 0.444 143 H N 2.219 121.290 119.070 0.002 0.000 2.299 143 H HA 0.025 4.581 4.556 -0.000 0.000 0.302 143 H C 1.990 177.319 175.328 0.002 0.000 1.078 143 H CA 1.812 57.861 56.048 0.002 0.000 1.323 143 H CB 0.071 29.834 29.762 0.001 0.000 1.381 143 H HN 0.163 nan 8.280 nan 0.000 0.498 144 I N 0.630 121.349 120.570 0.248 0.000 2.193 144 I HA -0.088 4.082 4.170 -0.000 0.000 0.240 144 I C -0.265 175.876 176.117 0.041 0.000 1.084 144 I CA 0.448 61.847 61.300 0.166 0.000 1.365 144 I CB -1.642 36.444 38.000 0.142 0.000 1.064 144 I HN 0.229 nan 8.210 nan 0.000 0.410 145 P HA -0.096 nan 4.420 nan 0.000 0.211 145 P C 0.687 177.983 177.300 -0.006 0.000 1.179 145 P CA 1.210 64.317 63.100 0.013 0.000 0.910 145 P CB -0.270 31.440 31.700 0.018 0.000 0.785 146 G N -0.724 108.067 108.800 -0.015 0.000 2.329 146 G HA2 0.337 4.297 3.960 -0.000 0.000 0.309 146 G HA3 0.337 4.297 3.960 -0.000 0.000 0.309 146 G C 0.643 175.500 174.900 -0.071 0.000 1.110 146 G CA -0.481 44.601 45.100 -0.030 0.000 0.923 146 G HN 0.042 nan 8.290 nan 0.000 0.430 147 L N 1.109 122.280 121.223 -0.087 0.000 2.002 147 L HA -0.061 4.279 4.340 -0.000 0.000 0.242 147 L C 1.388 178.139 176.870 -0.198 0.000 1.095 147 L CA 1.466 56.215 54.840 -0.151 0.000 0.834 147 L CB -0.123 41.876 42.059 -0.101 0.000 0.918 147 L HN 0.450 nan 8.230 nan 0.000 0.438 148 K N -0.997 119.328 120.400 -0.126 0.000 2.767 148 K HA 0.181 4.501 4.320 -0.000 0.000 0.286 148 K C -0.307 176.263 176.600 -0.051 0.000 1.177 148 K CA -0.010 56.215 56.287 -0.104 0.000 1.078 148 K CB 1.083 33.510 32.500 -0.121 0.000 1.358 148 K HN 0.193 nan 8.250 nan 0.000 0.531 149 E N 0.427 120.606 120.200 -0.035 0.000 2.467 149 E HA 0.018 4.368 4.350 -0.000 0.000 0.213 149 E C -0.429 176.165 176.600 -0.010 0.000 0.823 149 E CA 0.153 56.541 56.400 -0.019 0.000 1.233 149 E CB 1.143 30.834 29.700 -0.016 0.000 1.233 149 E HN 0.343 nan 8.360 nan 0.000 0.585 150 T N 1.413 115.962 114.554 -0.008 0.000 2.762 150 T HA 0.325 4.675 4.350 -0.000 0.000 0.303 150 T C 0.114 174.819 174.700 0.008 0.000 0.977 150 T CA -0.498 61.603 62.100 0.001 0.000 0.961 150 T CB 0.004 68.874 68.868 0.004 0.000 0.944 150 T HN 0.033 nan 8.240 nan 0.000 0.481 151 L N 5.724 126.953 121.223 0.011 0.000 2.667 151 L HA 0.002 4.342 4.340 -0.000 0.000 0.278 151 L C 1.549 178.435 176.870 0.028 0.000 1.217 151 L CA -0.420 54.432 54.840 0.020 0.000 0.935 151 L CB 0.248 42.317 42.059 0.016 0.000 1.193 151 L HN 0.737 nan 8.230 nan 0.000 0.493 152 D N 3.988 124.415 120.400 0.045 0.000 2.154 152 D HA -0.175 4.465 4.640 -0.000 0.000 0.190 152 D C -0.621 175.698 176.300 0.033 0.000 1.003 152 D CA 1.952 55.984 54.000 0.053 0.000 0.849 152 D CB -0.816 40.030 40.800 0.078 0.000 0.942 152 D HN 0.525 nan 8.370 nan 0.000 0.446 153 P HA 0.005 nan 4.420 nan 0.000 0.204 153 P C 1.498 178.807 177.300 0.014 0.000 1.144 153 P CA 0.901 64.012 63.100 0.017 0.000 0.901 153 P CB 0.186 31.894 31.700 0.014 0.000 0.746 154 K N 0.330 120.737 120.400 0.013 0.000 2.052 154 K HA -0.150 4.170 4.320 -0.000 0.000 0.215 154 K C 2.107 178.712 176.600 0.009 0.000 1.053 154 K CA 2.657 58.950 56.287 0.010 0.000 0.934 154 K CB -1.617 30.889 32.500 0.009 0.000 0.717 154 K HN 0.040 nan 8.250 nan 0.000 0.450 155 T N 0.838 115.398 114.554 0.010 0.000 2.555 155 T HA -0.183 4.167 4.350 -0.000 0.000 0.264 155 T C 1.821 176.525 174.700 0.007 0.000 1.083 155 T CA 2.770 64.875 62.100 0.008 0.000 1.179 155 T CB -0.723 68.150 68.868 0.008 0.000 0.863 155 T HN 0.258 nan 8.240 nan 0.000 0.412 156 V N 1.023 120.942 119.914 0.009 0.000 2.324 156 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 156 V C 2.335 178.432 176.094 0.006 0.000 1.060 156 V CA 1.836 64.141 62.300 0.008 0.000 1.042 156 V CB -0.838 30.992 31.823 0.011 0.000 0.650 156 V HN 0.323 nan 8.190 nan 0.000 0.450 157 E N 0.866 121.070 120.200 0.007 0.000 2.058 157 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 157 E C 2.225 178.827 176.600 0.004 0.000 0.997 157 E CA 2.069 58.472 56.400 0.006 0.000 0.801 157 E CB -0.429 29.274 29.700 0.007 0.000 0.746 157 E HN 0.870 nan 8.360 nan 0.000 0.450 158 E N 0.644 120.846 120.200 0.003 0.000 2.070 158 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 158 E C 2.316 178.916 176.600 -0.000 0.000 1.004 158 E CA 1.327 57.728 56.400 0.002 0.000 0.805 158 E CB -0.405 29.296 29.700 0.002 0.000 0.744 158 E HN 0.313 nan 8.360 nan 0.000 0.451 159 I N 1.739 122.309 120.570 -0.001 0.000 2.286 159 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 159 I C 1.839 177.952 176.117 -0.005 0.000 1.115 159 I CA 1.062 62.360 61.300 -0.003 0.000 1.392 159 I CB -0.402 37.597 38.000 -0.002 0.000 1.065 159 I HN 0.012 nan 8.210 nan 0.000 0.418 160 D N 0.686 121.084 120.400 -0.004 0.000 2.219 160 D HA -0.163 4.477 4.640 -0.000 0.000 0.205 160 D C 2.198 178.493 176.300 -0.009 0.000 0.970 160 D CA 1.046 55.041 54.000 -0.008 0.000 0.851 160 D CB -0.156 40.642 40.800 -0.003 0.000 0.943 160 D HN 0.518 nan 8.370 nan 0.000 0.488 161 Q N 0.620 120.418 119.800 -0.003 0.000 2.079 161 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 161 Q C 2.104 178.103 176.000 -0.001 0.000 0.974 161 Q CA 0.938 56.741 55.803 -0.001 0.000 0.840 161 Q CB 0.110 28.849 28.738 0.002 0.000 0.898 161 Q HN 0.252 nan 8.270 nan 0.000 0.430 162 K N 0.474 120.872 120.400 -0.003 0.000 2.147 162 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 162 K C 2.089 178.688 176.600 -0.002 0.000 1.049 162 K CA 0.828 57.114 56.287 -0.002 0.000 0.936 162 K CB -0.105 32.391 32.500 -0.006 0.000 0.722 162 K HN 0.220 nan 8.250 nan 0.000 0.446 163 L N 1.122 122.339 121.223 -0.010 0.000 2.083 163 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 163 L C 2.642 179.495 176.870 -0.028 0.000 1.083 163 L CA 1.225 56.053 54.840 -0.020 0.000 0.752 163 L CB -0.354 41.684 42.059 -0.034 0.000 0.899 163 L HN 0.172 nan 8.230 nan 0.000 0.433 164 K N -0.016 120.371 120.400 -0.023 0.000 2.025 164 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 164 K C 2.256 178.859 176.600 0.006 0.000 1.049 164 K CA 1.487 57.764 56.287 -0.015 0.000 0.933 164 K CB 0.066 32.564 32.500 -0.002 0.000 0.714 164 K HN 0.140 nan 8.250 nan 0.000 0.438 165 S N 1.429 117.136 115.700 0.011 0.000 2.420 165 S HA -0.096 4.374 4.470 -0.000 0.000 0.237 165 S C 0.667 175.287 174.600 0.034 0.000 1.023 165 S CA 0.590 58.802 58.200 0.020 0.000 0.991 165 S CB -0.369 62.842 63.200 0.017 0.000 0.792 165 S HN 0.253 nan 8.310 nan 0.000 0.488 166 L N 3.065 124.317 121.223 0.047 0.000 2.700 166 L HA 0.061 4.401 4.340 -0.000 0.000 0.272 166 L C -2.172 174.725 176.870 0.045 0.000 1.176 166 L CA -1.197 53.701 54.840 0.097 0.000 0.961 166 L CB -0.593 41.541 42.059 0.125 0.000 1.249 166 L HN 0.021 nan 8.230 nan 0.000 0.487 167 P HA -0.018 nan 4.420 nan 0.000 0.278 167 P C 0.677 177.949 177.300 -0.046 0.000 1.270 167 P CA -0.336 62.740 63.100 -0.040 0.000 0.800 167 P CB 0.447 32.100 31.700 -0.079 0.000 1.142 168 K N 0.264 120.647 120.400 -0.028 0.000 2.117 168 K HA -0.292 4.028 4.320 -0.000 0.000 0.215 168 K C 1.598 178.201 176.600 0.004 0.000 1.053 168 K CA 2.269 58.557 56.287 0.002 0.000 0.935 168 K CB -0.797 31.697 32.500 -0.011 0.000 0.719 168 K HN 0.476 nan 8.250 nan 0.000 0.460 169 E N 0.275 120.417 120.200 -0.097 0.000 2.007 169 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 169 E C 2.107 178.729 176.600 0.036 0.000 0.999 169 E CA 1.472 57.811 56.400 -0.102 0.000 0.811 169 E CB -0.430 29.071 29.700 -0.332 0.000 0.762 169 E HN 0.460 nan 8.360 nan 0.000 0.450 170 H N -0.060 119.039 119.070 0.049 0.000 2.482 170 H HA 0.154 4.710 4.556 -0.000 0.000 0.286 170 H C 1.797 177.196 175.328 0.117 0.000 1.017 170 H CA 1.033 57.085 56.048 0.007 0.000 1.322 170 H CB -0.080 29.624 29.762 -0.096 0.000 1.426 170 H HN -0.001 nan 8.280 nan 0.000 0.546 171 K N 1.891 122.391 120.400 0.166 0.000 2.152 171 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 171 K C 2.292 178.981 176.600 0.148 0.000 1.048 171 K CA 0.858 57.200 56.287 0.093 0.000 0.933 171 K CB -0.023 32.529 32.500 0.087 0.000 0.721 171 K HN 0.089 nan 8.250 nan 0.000 0.447 172 R N -0.781 119.874 120.500 0.259 0.000 2.103 172 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 172 R C 1.717 178.128 176.300 0.185 0.000 1.142 172 R CA 1.914 58.163 56.100 0.247 0.000 0.960 172 R CB -0.407 30.018 30.300 0.209 0.000 0.858 172 R HN 0.297 nan 8.270 nan 0.000 0.439 173 Y N 0.685 121.027 120.300 0.070 0.000 2.242 173 Y HA -0.169 4.381 4.550 -0.000 0.000 0.291 173 Y C 2.260 178.170 175.900 0.017 0.000 1.137 173 Y CA 0.933 59.062 58.100 0.048 0.000 1.181 173 Y CB -0.393 38.097 38.460 0.050 0.000 0.989 173 Y HN 0.087 nan 8.280 nan 0.000 0.527 174 L N -0.672 120.627 121.223 0.128 0.000 1.955 174 L HA -0.298 4.042 4.340 -0.000 0.000 0.213 174 L C 2.497 179.350 176.870 -0.028 0.000 1.072 174 L CA 1.766 56.598 54.840 -0.015 0.000 0.755 174 L CB -0.562 41.402 42.059 -0.158 0.000 0.888 174 L HN 0.333 nan 8.230 nan 0.000 0.432 175 H N -0.703 118.396 119.070 0.048 0.000 2.426 175 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 175 H C 2.151 177.477 175.328 -0.004 0.000 1.107 175 H CA 1.718 57.777 56.048 0.018 0.000 1.298 175 H CB -0.077 29.693 29.762 0.012 0.000 1.377 175 H HN 0.316 nan 8.280 nan 0.000 0.519 176 I N 0.617 121.243 120.570 0.093 0.000 2.333 176 I HA -0.118 4.052 4.170 -0.000 0.000 0.246 176 I C 2.642 178.764 176.117 0.007 0.000 1.106 176 I CA 1.016 62.321 61.300 0.008 0.000 1.411 176 I CB -0.646 37.299 38.000 -0.093 0.000 1.082 176 I HN 0.142 nan 8.210 nan 0.000 0.420 177 A N 0.319 123.154 122.820 0.025 0.000 1.873 177 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 177 A C 2.498 180.094 177.584 0.020 0.000 1.193 177 A CA 1.848 53.901 52.037 0.026 0.000 0.629 177 A CB -0.637 18.387 19.000 0.041 0.000 0.826 177 A HN 0.324 nan 8.150 nan 0.000 0.447 178 R N -0.516 120.001 120.500 0.028 0.000 2.070 178 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 178 R C 2.165 178.479 176.300 0.022 0.000 1.137 178 R CA 1.523 57.640 56.100 0.028 0.000 0.945 178 R CB -0.439 29.886 30.300 0.041 0.000 0.845 178 R HN 0.661 nan 8.270 nan 0.000 0.430 179 E N -0.386 119.828 120.200 0.024 0.000 2.160 179 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 179 E C 2.012 178.606 176.600 -0.011 0.000 0.991 179 E CA 1.273 57.677 56.400 0.006 0.000 0.810 179 E CB -0.197 29.503 29.700 -0.001 0.000 0.742 179 E HN 0.490 nan 8.360 nan 0.000 0.466 180 G N 1.646 110.438 108.800 -0.014 0.000 2.404 180 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.215 180 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.215 180 G C 1.507 176.397 174.900 -0.017 0.000 1.174 180 G CA 0.300 45.384 45.100 -0.027 0.000 0.780 180 G HN 0.105 nan 8.290 nan 0.000 0.537 181 E N 0.915 121.114 120.200 -0.002 0.000 2.070 181 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 181 E C 2.901 179.503 176.600 0.003 0.000 1.004 181 E CA 1.255 57.656 56.400 0.002 0.000 0.805 181 E CB -0.457 29.249 29.700 0.009 0.000 0.744 181 E HN 0.293 nan 8.360 nan 0.000 0.451 182 A N 1.293 124.120 122.820 0.011 0.000 1.851 182 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 182 A C 2.497 180.107 177.584 0.044 0.000 1.195 182 A CA 2.773 54.830 52.037 0.032 0.000 0.622 182 A CB -1.058 17.966 19.000 0.041 0.000 0.831 182 A HN 0.342 nan 8.150 nan 0.000 0.444 183 A N -0.068 122.757 122.820 0.009 0.000 1.915 183 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 183 A C 2.264 179.833 177.584 -0.025 0.000 1.198 183 A CA 2.457 54.482 52.037 -0.020 0.000 0.647 183 A CB -0.732 18.226 19.000 -0.070 0.000 0.825 183 A HN 0.655 nan 8.150 nan 0.000 0.456 184 R N -0.606 119.872 120.500 -0.037 0.000 2.148 184 R HA -0.246 4.094 4.340 -0.000 0.000 0.230 184 R C 2.296 178.567 176.300 -0.048 0.000 1.120 184 R CA 2.197 58.265 56.100 -0.054 0.000 0.902 184 R CB -0.701 29.581 30.300 -0.030 0.000 0.839 184 R HN 0.668 nan 8.270 nan 0.000 0.431 185 Q N -0.852 118.933 119.800 -0.026 0.000 2.217 185 Q HA -0.234 4.106 4.340 -0.000 0.000 0.209 185 Q C 2.191 178.150 176.000 -0.069 0.000 0.988 185 Q CA 1.531 57.307 55.803 -0.044 0.000 0.878 185 Q CB -0.252 28.459 28.738 -0.045 0.000 0.909 185 Q HN 0.575 nan 8.270 nan 0.000 0.424 186 H N 0.209 119.237 119.070 -0.069 0.000 2.363 186 H HA -0.001 4.555 4.556 -0.000 0.000 0.301 186 H C 2.101 177.368 175.328 -0.101 0.000 1.074 186 H CA 0.845 56.851 56.048 -0.071 0.000 1.354 186 H CB -0.031 29.689 29.762 -0.069 0.000 1.397 186 H HN 0.223 nan 8.280 nan 0.000 0.516 187 L N 0.530 121.743 121.223 -0.017 0.000 2.046 187 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 187 L C 2.329 179.097 176.870 -0.171 0.000 1.077 187 L CA 0.943 55.690 54.840 -0.154 0.000 0.747 187 L CB -0.273 41.600 42.059 -0.309 0.000 0.896 187 L HN 0.186 nan 8.230 nan 0.000 0.432 188 I N -0.213 120.273 120.570 -0.140 0.000 2.151 188 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 188 I C 2.334 178.416 176.117 -0.058 0.000 1.080 188 I CA 1.616 62.860 61.300 -0.094 0.000 1.339 188 I CB -0.539 37.428 38.000 -0.055 0.000 1.039 188 I HN 0.342 nan 8.210 nan 0.000 0.409 189 E N 1.321 121.486 120.200 -0.058 0.000 2.023 189 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 189 E C 2.391 178.988 176.600 -0.005 0.000 1.003 189 E CA 1.526 57.907 56.400 -0.032 0.000 0.809 189 E CB -0.349 29.296 29.700 -0.092 0.000 0.755 189 E HN 0.534 nan 8.360 nan 0.000 0.449 190 A N 1.626 124.443 122.820 -0.005 0.000 1.986 190 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 190 A C 1.404 178.983 177.584 -0.009 0.000 1.171 190 A CA 1.266 53.306 52.037 0.004 0.000 0.640 190 A CB -0.373 18.626 19.000 -0.003 0.000 0.811 190 A HN 0.184 nan 8.150 nan 0.000 0.451 191 N N 0.002 118.685 118.700 -0.029 0.000 2.714 191 N HA 0.303 5.043 4.740 -0.000 0.000 0.298 191 N C 0.295 175.795 175.510 -0.017 0.000 1.298 191 N CA 0.004 53.055 53.050 0.001 0.000 1.007 191 N CB 0.546 39.056 38.487 0.039 0.000 1.318 191 N HN 0.428 nan 8.380 nan 0.000 0.516 192 L N -0.467 120.720 121.223 -0.061 0.000 2.463 192 L HA 0.139 4.479 4.340 -0.000 0.000 0.219 192 L C 2.431 179.162 176.870 -0.232 0.000 1.088 192 L CA 0.246 54.979 54.840 -0.178 0.000 0.849 192 L CB 0.094 42.017 42.059 -0.226 0.000 1.012 192 L HN 0.072 nan 8.230 nan 0.000 0.468 193 R N 0.300 120.733 120.500 -0.112 0.000 2.115 193 R HA -0.149 4.191 4.340 -0.000 0.000 0.230 193 R C 2.152 178.421 176.300 -0.052 0.000 1.111 193 R CA 1.015 57.069 56.100 -0.077 0.000 0.976 193 R CB -0.141 30.152 30.300 -0.011 0.000 0.870 193 R HN 0.109 nan 8.270 nan 0.000 0.445 194 L N -0.015 121.192 121.223 -0.027 0.000 2.012 194 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 194 L C 1.976 178.833 176.870 -0.022 0.000 1.073 194 L CA 1.590 56.432 54.840 0.002 0.000 0.748 194 L CB -0.650 41.436 42.059 0.045 0.000 0.891 194 L HN 0.041 nan 8.230 nan 0.000 0.431 195 V N -1.174 118.705 119.914 -0.058 0.000 2.220 195 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 195 V C 2.513 178.564 176.094 -0.072 0.000 1.049 195 V CA 1.838 64.090 62.300 -0.080 0.000 1.003 195 V CB -0.640 31.107 31.823 -0.127 0.000 0.634 195 V HN 0.308 nan 8.190 nan 0.000 0.444 196 V N 1.177 121.019 119.914 -0.120 0.000 2.324 196 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 196 V C 2.743 178.895 176.094 0.096 0.000 1.060 196 V CA 2.447 64.725 62.300 -0.038 0.000 1.042 196 V CB -1.197 30.551 31.823 -0.124 0.000 0.650 196 V HN 0.785 nan 8.190 nan 0.000 0.450 197 S N 0.144 115.869 115.700 0.041 0.000 2.368 197 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 197 S C 1.939 176.566 174.600 0.045 0.000 1.030 197 S CA 1.835 60.068 58.200 0.055 0.000 0.999 197 S CB -0.634 62.585 63.200 0.032 0.000 0.844 197 S HN 0.536 nan 8.310 nan 0.000 0.459 198 I N 2.546 123.119 120.570 0.006 0.000 2.090 198 I HA -0.137 4.033 4.170 -0.000 0.000 0.236 198 I C 3.168 179.253 176.117 -0.053 0.000 1.064 198 I CA 1.232 62.501 61.300 -0.053 0.000 1.324 198 I CB -0.898 37.033 38.000 -0.115 0.000 1.044 198 I HN 0.439 nan 8.210 nan 0.000 0.399 199 A N 0.711 123.525 122.820 -0.010 0.000 2.042 199 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 199 A C 2.181 179.895 177.584 0.217 0.000 1.167 199 A CA 2.221 54.313 52.037 0.093 0.000 0.649 199 A CB -0.585 18.510 19.000 0.158 0.000 0.809 199 A HN 0.342 nan 8.150 nan 0.000 0.457 200 K N 0.336 120.854 120.400 0.198 0.000 2.152 200 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 200 K C 1.668 178.235 176.600 -0.055 0.000 1.048 200 K CA 2.068 58.354 56.287 -0.003 0.000 0.933 200 K CB -0.246 32.279 32.500 0.040 0.000 0.721 200 K HN 0.524 nan 8.250 nan 0.000 0.447 201 K N -1.222 119.226 120.400 0.080 0.000 2.314 201 K HA 0.006 4.326 4.320 -0.000 0.000 0.198 201 K C 0.225 176.973 176.600 0.247 0.000 1.045 201 K CA 0.326 56.696 56.287 0.137 0.000 0.988 201 K CB 0.187 32.797 32.500 0.184 0.000 0.783 201 K HN 0.071 nan 8.250 nan 0.000 0.484 202 Y N 1.226 121.504 120.300 -0.036 0.000 2.881 202 Y HA 0.095 4.645 4.550 -0.000 0.000 0.369 202 Y C 1.509 177.391 175.900 -0.030 0.000 1.066 202 Y CA -0.317 57.767 58.100 -0.028 0.000 1.616 202 Y CB -0.600 37.853 38.460 -0.011 0.000 1.436 202 Y HN -0.028 nan 8.280 nan 0.000 0.505 203 T N -0.611 113.972 114.554 0.048 0.000 2.623 203 T HA -0.106 4.244 4.350 -0.000 0.000 0.254 203 T C 2.021 176.707 174.700 -0.024 0.000 1.075 203 T CA 1.652 63.725 62.100 -0.044 0.000 1.177 203 T CB -0.491 68.274 68.868 -0.172 0.000 0.869 203 T HN 0.572 nan 8.240 nan 0.000 0.403 204 G N 1.443 110.215 108.800 -0.046 0.000 3.262 204 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.222 204 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.222 204 G C 1.372 176.252 174.900 -0.033 0.000 1.269 204 G CA -0.170 44.907 45.100 -0.039 0.000 1.032 204 G HN 0.182 nan 8.290 nan 0.000 0.502 205 R N 0.071 120.559 120.500 -0.021 0.000 2.200 205 R HA 0.097 4.437 4.340 -0.000 0.000 0.208 205 R C 1.758 178.056 176.300 -0.004 0.000 1.033 205 R CA 0.796 56.881 56.100 -0.024 0.000 1.000 205 R CB 0.052 30.343 30.300 -0.016 0.000 0.906 205 R HN 0.486 nan 8.270 nan 0.000 0.462 206 G N -0.170 108.638 108.800 0.012 0.000 2.174 206 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.140 206 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.140 206 G C -0.260 174.660 174.900 0.033 0.000 1.031 206 G CA -0.579 44.532 45.100 0.018 0.000 0.728 206 G HN 0.115 nan 8.290 nan 0.000 0.496 207 L N 1.126 122.379 121.223 0.049 0.000 2.354 207 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 207 L C 0.322 177.246 176.870 0.090 0.000 1.008 207 L CA -0.939 53.941 54.840 0.066 0.000 0.819 207 L CB 2.145 44.250 42.059 0.076 0.000 1.339 207 L HN 0.119 nan 8.230 nan 0.000 0.420 208 S N 1.496 117.253 115.700 0.094 0.000 2.549 208 S HA 0.096 4.566 4.470 -0.000 0.000 0.279 208 S C 0.903 175.624 174.600 0.200 0.000 1.321 208 S CA -0.304 57.971 58.200 0.125 0.000 1.054 208 S CB 0.567 63.822 63.200 0.092 0.000 0.899 208 S HN 0.578 nan 8.310 nan 0.000 0.497 209 F N 2.374 122.345 119.950 0.033 0.000 2.115 209 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 209 F C 1.732 177.555 175.800 0.039 0.000 1.092 209 F CA 1.337 59.359 58.000 0.036 0.000 1.245 209 F CB 0.009 39.031 39.000 0.037 0.000 0.995 209 F HN 0.531 nan 8.300 nan 0.000 0.481 210 L N -0.055 121.194 121.223 0.042 0.000 2.109 210 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 210 L C 1.768 178.633 176.870 -0.008 0.000 1.086 210 L CA 1.342 56.135 54.840 -0.078 0.000 0.760 210 L CB -0.553 41.486 42.059 -0.033 0.000 0.910 210 L HN 0.087 nan 8.230 nan 0.000 0.437 211 D N -0.033 120.395 120.400 0.046 0.000 2.097 211 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 211 D C 2.292 178.622 176.300 0.050 0.000 0.989 211 D CA 1.154 55.181 54.000 0.046 0.000 0.827 211 D CB -0.224 40.611 40.800 0.057 0.000 0.966 211 D HN 0.183 nan 8.370 nan 0.000 0.456 212 L N 0.299 121.579 121.223 0.095 0.000 1.989 212 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 212 L C 2.434 179.338 176.870 0.057 0.000 1.071 212 L CA 0.947 55.854 54.840 0.111 0.000 0.749 212 L CB -0.415 41.773 42.059 0.216 0.000 0.890 212 L HN 0.060 nan 8.230 nan 0.000 0.431 213 I N -1.043 119.537 120.570 0.016 0.000 2.163 213 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 213 I C 2.740 178.818 176.117 -0.065 0.000 1.085 213 I CA 1.007 62.258 61.300 -0.082 0.000 1.347 213 I CB -0.395 37.452 38.000 -0.255 0.000 1.044 213 I HN 0.346 nan 8.210 nan 0.000 0.408 214 Q N 0.611 120.390 119.800 -0.035 0.000 2.096 214 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 214 Q C 2.173 178.172 176.000 -0.002 0.000 0.982 214 Q CA 1.527 57.324 55.803 -0.010 0.000 0.850 214 Q CB -0.280 28.463 28.738 0.008 0.000 0.901 214 Q HN 0.487 nan 8.270 nan 0.000 0.422 215 E N -0.642 119.561 120.200 0.005 0.000 2.047 215 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 215 E C 1.981 178.578 176.600 -0.006 0.000 0.987 215 E CA 1.161 57.565 56.400 0.007 0.000 0.799 215 E CB -0.509 29.199 29.700 0.013 0.000 0.752 215 E HN 0.471 nan 8.360 nan 0.000 0.449 216 G N 1.451 110.236 108.800 -0.024 0.000 2.469 216 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 216 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 216 G C 1.540 176.425 174.900 -0.026 0.000 1.136 216 G CA 1.130 46.203 45.100 -0.046 0.000 0.759 216 G HN 0.223 nan 8.290 nan 0.000 0.562 217 N N 0.176 118.858 118.700 -0.031 0.000 2.069 217 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 217 N C 2.149 177.669 175.510 0.016 0.000 1.031 217 N CA 1.523 54.560 53.050 -0.021 0.000 0.852 217 N CB -0.378 38.091 38.487 -0.030 0.000 1.018 217 N HN 0.407 nan 8.380 nan 0.000 0.423 218 Q N 0.230 120.042 119.800 0.021 0.000 2.181 218 Q HA -0.049 4.291 4.340 -0.000 0.000 0.205 218 Q C 1.837 177.875 176.000 0.063 0.000 0.980 218 Q CA 1.945 57.772 55.803 0.039 0.000 0.862 218 Q CB -0.742 28.017 28.738 0.036 0.000 0.905 218 Q HN 0.388 nan 8.270 nan 0.000 0.429 219 G N 0.581 109.417 108.800 0.059 0.000 2.402 219 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 219 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 219 G C 1.374 176.351 174.900 0.129 0.000 1.162 219 G CA 0.681 45.841 45.100 0.100 0.000 0.777 219 G HN 0.437 nan 8.290 nan 0.000 0.539 220 L N 0.710 121.992 121.223 0.098 0.000 2.083 220 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 220 L C 2.667 179.639 176.870 0.170 0.000 1.083 220 L CA 1.278 56.206 54.840 0.147 0.000 0.752 220 L CB -0.210 41.937 42.059 0.146 0.000 0.899 220 L HN 0.305 nan 8.230 nan 0.000 0.433 221 I N -1.075 119.559 120.570 0.106 0.000 2.361 221 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 221 I C 2.701 178.854 176.117 0.061 0.000 1.133 221 I CA 1.157 62.507 61.300 0.082 0.000 1.413 221 I CB -0.664 37.368 38.000 0.054 0.000 1.073 221 I HN 0.258 nan 8.210 nan 0.000 0.424 222 R N 1.477 122.011 120.500 0.057 0.000 2.073 222 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 222 R C 2.513 178.631 176.300 -0.304 0.000 1.134 222 R CA 1.591 57.690 56.100 -0.002 0.000 0.952 222 R CB -0.280 30.145 30.300 0.208 0.000 0.850 222 R HN 0.398 nan 8.270 nan 0.000 0.433 223 A N 0.256 122.877 122.820 -0.332 0.000 1.940 223 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 223 A C 2.218 179.801 177.584 -0.001 0.000 1.176 223 A CA 1.678 53.302 52.037 -0.690 0.000 0.631 223 A CB -0.563 18.107 19.000 -0.550 0.000 0.814 223 A HN 0.235 nan 8.150 nan 0.000 0.446 224 V N 0.097 120.164 119.914 0.257 0.000 2.469 224 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 224 V C 2.434 178.633 176.094 0.176 0.000 1.064 224 V CA 2.226 64.727 62.300 0.335 0.000 1.066 224 V CB -0.726 31.186 31.823 0.150 0.000 0.667 224 V HN 0.760 nan 8.190 nan 0.000 0.461 225 E N 0.117 120.346 120.200 0.048 0.000 2.208 225 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 225 E C 1.907 178.528 176.600 0.035 0.000 0.988 225 E CA 0.788 57.204 56.400 0.026 0.000 0.828 225 E CB 0.155 29.849 29.700 -0.011 0.000 0.763 225 E HN 0.563 nan 8.360 nan 0.000 0.478 226 K N -0.218 120.184 120.400 0.004 0.000 2.360 226 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 226 K C 0.262 176.928 176.600 0.109 0.000 1.049 226 K CA -0.338 55.988 56.287 0.065 0.000 1.049 226 K CB 0.287 32.800 32.500 0.022 0.000 0.881 226 K HN 0.011 nan 8.250 nan 0.000 0.542 227 F N 3.777 123.730 119.950 0.005 0.000 2.578 227 F HA -0.035 4.492 4.527 -0.000 0.000 0.381 227 F C -0.072 175.626 175.800 -0.170 0.000 1.069 227 F CA 0.082 57.888 58.000 -0.324 0.000 1.231 227 F CB 0.392 39.319 39.000 -0.122 0.000 1.086 227 F HN -0.059 nan 8.300 nan 0.000 0.564 228 E N 6.990 126.568 120.200 -1.036 0.000 2.035 228 E HA 0.021 4.371 4.350 -0.000 0.000 0.271 228 E C -0.064 175.897 176.600 -1.065 0.000 0.953 228 E CA -0.387 55.593 56.400 -0.700 0.000 0.777 228 E CB 0.299 29.758 29.700 -0.403 0.000 1.104 228 E HN 0.788 nan 8.360 nan 0.000 0.408 229 Y N 3.004 122.870 120.300 -0.723 0.000 2.483 229 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 229 Y C 1.368 177.093 175.900 -0.293 0.000 1.143 229 Y CA 0.759 58.608 58.100 -0.418 0.000 1.289 229 Y CB -0.183 38.277 38.460 -0.000 0.000 0.983 229 Y HN 0.205 nan 8.280 nan 0.000 0.556 230 K N 0.919 120.872 120.400 -0.744 0.000 2.063 230 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 230 K C 0.545 176.965 176.600 -0.299 0.000 1.048 230 K CA 1.379 57.322 56.287 -0.574 0.000 0.928 230 K CB -0.144 32.079 32.500 -0.462 0.000 0.713 230 K HN 0.272 nan 8.250 nan 0.000 0.442 231 R N 1.646 121.985 120.500 -0.268 0.000 2.272 231 R HA 0.073 4.413 4.340 -0.000 0.000 0.334 231 R C 0.770 177.053 176.300 -0.028 0.000 1.117 231 R CA -0.204 55.868 56.100 -0.046 0.000 0.966 231 R CB 0.664 31.055 30.300 0.150 0.000 1.049 231 R HN 0.059 nan 8.270 nan 0.000 0.477 232 R N 3.754 124.281 120.500 0.046 0.000 2.234 232 R HA -0.230 4.110 4.340 -0.000 0.000 0.262 232 R C 0.253 176.657 176.300 0.174 0.000 1.150 232 R CA 1.656 57.809 56.100 0.090 0.000 0.981 232 R CB -0.814 29.547 30.300 0.101 0.000 0.899 232 R HN 0.573 nan 8.270 nan 0.000 0.458 233 F N 0.884 120.895 119.950 0.101 0.000 2.647 233 F HA 0.005 4.532 4.527 -0.000 0.000 0.363 233 F C 0.415 176.432 175.800 0.361 0.000 1.130 233 F CA -0.740 57.370 58.000 0.183 0.000 1.351 233 F CB 0.164 39.260 39.000 0.160 0.000 1.026 233 F HN 0.028 nan 8.300 nan 0.000 0.607 234 K N 2.956 123.547 120.400 0.319 0.000 2.090 234 K HA 0.310 4.630 4.320 -0.000 0.000 0.250 234 K C 0.144 176.793 176.600 0.082 0.000 1.004 234 K CA -0.608 55.764 56.287 0.141 0.000 0.919 234 K CB 0.674 33.245 32.500 0.118 0.000 1.045 234 K HN 0.672 nan 8.250 nan 0.000 0.471 235 F N 0.989 120.675 119.950 -0.441 0.000 2.307 235 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 235 F C 2.316 178.117 175.800 0.002 0.000 1.076 235 F CA 1.548 59.285 58.000 -0.439 0.000 1.383 235 F CB -0.116 38.548 39.000 -0.560 0.000 1.055 235 F HN 0.841 nan 8.300 nan 0.000 0.526 236 S N -0.577 115.225 115.700 0.170 0.000 2.354 236 S HA -0.234 4.236 4.470 -0.000 0.000 0.219 236 S C 2.129 176.810 174.600 0.136 0.000 1.035 236 S CA 2.310 60.600 58.200 0.152 0.000 1.037 236 S CB -0.727 62.554 63.200 0.135 0.000 0.956 236 S HN 0.459 nan 8.310 nan 0.000 0.428 237 T N 0.399 115.073 114.554 0.200 0.000 2.881 237 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 237 T C 1.466 176.337 174.700 0.286 0.000 1.068 237 T CA 1.483 63.714 62.100 0.219 0.000 1.131 237 T CB -0.446 68.559 68.868 0.229 0.000 0.871 237 T HN 0.535 nan 8.240 nan 0.000 0.479 238 Y N 1.868 122.278 120.300 0.184 0.000 2.184 238 Y HA 0.115 4.665 4.550 -0.000 0.000 0.290 238 Y C 2.535 178.499 175.900 0.107 0.000 1.129 238 Y CA 0.594 58.833 58.100 0.233 0.000 1.144 238 Y CB -0.843 37.762 38.460 0.242 0.000 0.995 238 Y HN 0.175 nan 8.280 nan 0.000 0.513 239 A N -0.849 121.804 122.820 -0.279 0.000 1.902 239 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 239 A C 2.237 179.816 177.584 -0.008 0.000 1.181 239 A CA 2.239 54.112 52.037 -0.273 0.000 0.623 239 A CB -1.350 17.530 19.000 -0.200 0.000 0.818 239 A HN 0.489 nan 8.150 nan 0.000 0.443 240 T N -1.499 113.082 114.554 0.045 0.000 2.624 240 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 240 T C 1.454 176.187 174.700 0.055 0.000 1.041 240 T CA 1.832 63.966 62.100 0.056 0.000 1.159 240 T CB -0.368 68.558 68.868 0.096 0.000 0.863 240 T HN 0.706 nan 8.240 nan 0.000 0.434 241 W N 0.314 121.560 121.300 -0.090 0.000 2.352 241 W HA -0.049 4.611 4.660 -0.000 0.000 0.322 241 W C 1.855 178.223 176.519 -0.252 0.000 1.208 241 W CA 0.784 58.016 57.345 -0.189 0.000 1.286 241 W CB -0.806 28.506 29.460 -0.247 0.000 1.167 241 W HN 0.288 nan 8.180 nan 0.000 0.469 242 W N -0.054 121.218 121.300 -0.048 0.000 2.389 242 W HA -0.157 4.503 4.660 -0.000 0.000 0.267 242 W C 2.116 178.526 176.519 -0.182 0.000 1.219 242 W CA 1.081 58.336 57.345 -0.150 0.000 1.189 242 W CB -0.671 28.655 29.460 -0.223 0.000 1.129 242 W HN -0.097 nan 8.180 nan 0.000 0.581 243 I N -0.699 119.873 120.570 0.002 0.000 2.385 243 I HA -0.158 4.012 4.170 -0.000 0.000 0.244 243 I C 2.587 178.588 176.117 -0.194 0.000 1.089 243 I CA 0.694 61.954 61.300 -0.067 0.000 1.410 243 I CB -0.425 37.540 38.000 -0.060 0.000 1.117 243 I HN -0.222 nan 8.210 nan 0.000 0.429 244 R N 0.497 120.832 120.500 -0.276 0.000 2.139 244 R HA -0.231 4.109 4.340 -0.000 0.000 0.243 244 R C 2.223 178.319 176.300 -0.340 0.000 1.145 244 R CA 1.450 57.327 56.100 -0.372 0.000 0.976 244 R CB -0.315 29.782 30.300 -0.338 0.000 0.866 244 R HN 0.358 nan 8.270 nan 0.000 0.449 245 Q N -0.049 119.484 119.800 -0.444 0.000 2.046 245 Q HA -0.026 4.314 4.340 -0.000 0.000 0.200 245 Q C 2.066 177.924 176.000 -0.237 0.000 0.975 245 Q CA 1.948 57.481 55.803 -0.450 0.000 0.836 245 Q CB -0.416 27.907 28.738 -0.692 0.000 0.896 245 Q HN 0.344 nan 8.270 nan 0.000 0.428 246 A N 0.215 122.935 122.820 -0.167 0.000 1.908 246 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 246 A C 2.088 179.636 177.584 -0.060 0.000 1.181 246 A CA 1.445 53.437 52.037 -0.074 0.000 0.627 246 A CB -0.787 18.198 19.000 -0.025 0.000 0.818 246 A HN 0.374 nan 8.150 nan 0.000 0.445 247 I N -0.132 120.384 120.570 -0.090 0.000 2.113 247 I HA -0.283 3.887 4.170 -0.000 0.000 0.238 247 I C 2.253 178.393 176.117 0.039 0.000 1.070 247 I CA 1.405 62.679 61.300 -0.043 0.000 1.332 247 I CB -0.668 37.237 38.000 -0.157 0.000 1.044 247 I HN 0.326 nan 8.210 nan 0.000 0.402 248 N N 0.843 119.578 118.700 0.059 0.000 2.094 248 N HA -0.257 4.483 4.740 -0.000 0.000 0.191 248 N C 1.938 177.460 175.510 0.020 0.000 1.023 248 N CA 1.568 54.672 53.050 0.091 0.000 0.857 248 N CB -0.444 38.081 38.487 0.063 0.000 1.013 248 N HN 0.356 nan 8.380 nan 0.000 0.426 249 R N 1.013 121.503 120.500 -0.017 0.000 2.070 249 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 249 R C 2.234 178.537 176.300 0.005 0.000 1.138 249 R CA 1.708 57.798 56.100 -0.016 0.000 0.936 249 R CB -0.476 29.805 30.300 -0.031 0.000 0.839 249 R HN 0.147 nan 8.270 nan 0.000 0.429 250 A N 1.144 123.970 122.820 0.011 0.000 1.903 250 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 250 A C 2.263 179.865 177.584 0.030 0.000 1.191 250 A CA 2.091 54.141 52.037 0.022 0.000 0.638 250 A CB -0.853 18.164 19.000 0.027 0.000 0.823 250 A HN 0.465 nan 8.150 nan 0.000 0.451 251 I N -0.436 120.160 120.570 0.042 0.000 2.248 251 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 251 I C 2.818 178.949 176.117 0.022 0.000 1.107 251 I CA 1.317 62.642 61.300 0.042 0.000 1.373 251 I CB -0.291 37.744 38.000 0.059 0.000 1.055 251 I HN 0.381 nan 8.210 nan 0.000 0.418 252 A N 0.030 122.860 122.820 0.016 0.000 2.021 252 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 252 A C 1.769 179.361 177.584 0.013 0.000 1.163 252 A CA 1.370 53.413 52.037 0.010 0.000 0.676 252 A CB -0.269 18.734 19.000 0.005 0.000 0.818 252 A HN 0.326 nan 8.150 nan 0.000 0.453 253 D N -0.588 119.821 120.400 0.015 0.000 2.216 253 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 253 D C 2.000 178.311 176.300 0.017 0.000 0.960 253 D CA 1.150 55.160 54.000 0.016 0.000 0.861 253 D CB -0.163 40.646 40.800 0.015 0.000 0.985 253 D HN 0.598 nan 8.370 nan 0.000 0.493 254 Q N 0.029 119.841 119.800 0.020 0.000 2.423 254 Q HA 0.333 4.673 4.340 -0.000 0.000 0.231 254 Q C 2.106 178.118 176.000 0.020 0.000 0.894 254 Q CA 0.448 56.263 55.803 0.020 0.000 0.938 254 Q CB 0.236 28.988 28.738 0.024 0.000 1.079 254 Q HN 0.118 nan 8.270 nan 0.000 0.552 255 A N 1.896 124.729 122.820 0.021 0.000 1.929 255 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 255 A C 1.159 178.752 177.584 0.016 0.000 1.211 255 A CA 1.385 53.434 52.037 0.019 0.000 0.657 255 A CB -0.372 18.637 19.000 0.016 0.000 0.827 255 A HN 0.181 nan 8.150 nan 0.000 0.462 256 R N -2.037 118.471 120.500 0.014 0.000 2.573 256 R HA 0.440 4.780 4.340 -0.000 0.000 0.272 256 R C 0.995 177.303 176.300 0.014 0.000 1.009 256 R CA 0.179 56.287 56.100 0.013 0.000 1.059 256 R CB 0.546 30.853 30.300 0.013 0.000 1.112 256 R HN 0.207 nan 8.270 nan 0.000 0.517 257 T N 0.797 115.358 114.554 0.013 0.000 2.896 257 T HA 0.094 4.444 4.350 -0.000 0.000 0.263 257 T C 0.800 175.507 174.700 0.011 0.000 1.050 257 T CA 0.823 62.930 62.100 0.011 0.000 1.140 257 T CB 0.187 69.061 68.868 0.010 0.000 0.877 257 T HN 0.236 nan 8.240 nan 0.000 0.457 258 I N 2.438 123.016 120.570 0.012 0.000 2.312 258 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 258 I C 0.295 176.421 176.117 0.014 0.000 1.008 258 I CA -1.059 60.249 61.300 0.013 0.000 1.226 258 I CB 0.995 39.003 38.000 0.013 0.000 1.371 258 I HN 0.002 nan 8.210 nan 0.000 0.468 259 R N 6.085 126.593 120.500 0.013 0.000 2.502 259 R HA 0.276 4.616 4.340 -0.000 0.000 0.292 259 R C -0.961 175.350 176.300 0.018 0.000 0.998 259 R CA 0.697 56.806 56.100 0.015 0.000 1.056 259 R CB 0.095 30.403 30.300 0.013 0.000 0.939 259 R HN 0.590 nan 8.270 nan 0.000 0.411 260 I N 7.444 128.027 120.570 0.021 0.000 2.478 260 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 260 I C -2.049 174.089 176.117 0.035 0.000 1.042 260 I CA -2.593 58.724 61.300 0.029 0.000 1.067 260 I CB 2.357 40.376 38.000 0.031 0.000 1.233 260 I HN 0.582 nan 8.210 nan 0.000 0.431 261 P HA 0.002 nan 4.420 nan 0.000 0.266 261 P C 1.077 178.420 177.300 0.072 0.000 1.193 261 P CA -0.244 62.888 63.100 0.053 0.000 0.770 261 P CB 0.664 32.395 31.700 0.051 0.000 0.836 262 V N 1.444 121.395 119.914 0.062 0.000 2.370 262 V HA -0.326 3.794 4.120 -0.000 0.000 0.252 262 V C 2.211 178.352 176.094 0.077 0.000 1.068 262 V CA 2.231 64.562 62.300 0.052 0.000 1.061 262 V CB -1.520 30.325 31.823 0.037 0.000 0.656 262 V HN 0.759 nan 8.190 nan 0.000 0.455 263 H N 0.308 119.386 119.070 0.014 0.000 2.321 263 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 263 H C 2.267 177.621 175.328 0.042 0.000 1.087 263 H CA 2.318 58.383 56.048 0.027 0.000 1.319 263 H CB -0.121 29.656 29.762 0.025 0.000 1.379 263 H HN 0.298 nan 8.280 nan 0.000 0.501 264 M N 0.455 120.192 119.600 0.229 0.000 2.159 264 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 264 M C 2.619 178.947 176.300 0.046 0.000 1.063 264 M CA 0.743 56.135 55.300 0.153 0.000 1.110 264 M CB -0.811 31.872 32.600 0.138 0.000 1.374 264 M HN 0.116 nan 8.290 nan 0.000 0.411 265 V N 0.784 120.715 119.914 0.029 0.000 2.214 265 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 265 V C 2.255 178.329 176.094 -0.033 0.000 1.047 265 V CA 2.202 64.502 62.300 0.000 0.000 0.998 265 V CB -1.030 30.794 31.823 0.001 0.000 0.633 265 V HN 0.329 nan 8.190 nan 0.000 0.446 266 E N 0.262 120.429 120.200 -0.056 0.000 2.147 266 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 266 E C 2.248 178.788 176.600 -0.100 0.000 1.005 266 E CA 1.969 58.320 56.400 -0.083 0.000 0.810 266 E CB -0.757 28.887 29.700 -0.094 0.000 0.736 266 E HN 0.618 nan 8.360 nan 0.000 0.460 267 T N 0.507 114.991 114.554 -0.118 0.000 2.665 267 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 267 T C 1.864 176.539 174.700 -0.041 0.000 1.035 267 T CA 1.422 63.487 62.100 -0.059 0.000 1.151 267 T CB -0.317 68.569 68.868 0.032 0.000 0.862 267 T HN 0.138 nan 8.240 nan 0.000 0.438 268 I N 1.367 121.926 120.570 -0.018 0.000 2.286 268 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 268 I C 2.451 178.532 176.117 -0.059 0.000 1.115 268 I CA 0.897 62.184 61.300 -0.022 0.000 1.392 268 I CB -0.419 37.580 38.000 -0.002 0.000 1.065 268 I HN 0.244 nan 8.210 nan 0.000 0.418 269 N N 1.064 119.723 118.700 -0.068 0.000 2.058 269 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 269 N C 1.841 177.288 175.510 -0.104 0.000 1.037 269 N CA 1.193 54.195 53.050 -0.080 0.000 0.848 269 N CB -0.262 38.177 38.487 -0.080 0.000 1.021 269 N HN 0.283 nan 8.380 nan 0.000 0.422 270 K N 1.337 121.659 120.400 -0.130 0.000 2.063 270 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 270 K C 2.298 178.767 176.600 -0.219 0.000 1.048 270 K CA 0.532 56.715 56.287 -0.175 0.000 0.928 270 K CB -0.613 31.761 32.500 -0.210 0.000 0.713 270 K HN 0.210 nan 8.250 nan 0.000 0.442 271 L N 0.422 121.506 121.223 -0.233 0.000 2.017 271 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 271 L C 2.697 179.488 176.870 -0.131 0.000 1.073 271 L CA 1.315 56.017 54.840 -0.229 0.000 0.745 271 L CB -0.542 41.422 42.059 -0.159 0.000 0.894 271 L HN 0.146 nan 8.230 nan 0.000 0.432 272 S N -0.334 115.310 115.700 -0.092 0.000 2.348 272 S HA -0.210 4.260 4.470 -0.000 0.000 0.221 272 S C 2.112 176.669 174.600 -0.071 0.000 1.033 272 S CA 1.444 59.606 58.200 -0.063 0.000 1.010 272 S CB -0.113 63.054 63.200 -0.054 0.000 0.891 272 S HN 0.290 nan 8.310 nan 0.000 0.442 273 R N 0.097 120.546 120.500 -0.085 0.000 2.113 273 R HA -0.098 4.242 4.340 -0.000 0.000 0.244 273 R C 2.507 178.757 176.300 -0.084 0.000 1.142 273 R CA 2.074 58.125 56.100 -0.082 0.000 0.953 273 R CB -1.126 29.119 30.300 -0.091 0.000 0.860 273 R HN 0.398 nan 8.270 nan 0.000 0.438 274 T N 0.770 115.258 114.554 -0.109 0.000 2.708 274 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 274 T C 1.970 176.624 174.700 -0.076 0.000 1.037 274 T CA 1.448 63.482 62.100 -0.110 0.000 1.146 274 T CB -0.308 68.459 68.868 -0.169 0.000 0.865 274 T HN 0.432 nan 8.240 nan 0.000 0.435 275 A N 1.814 124.595 122.820 -0.064 0.000 2.019 275 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 275 A C 2.383 179.945 177.584 -0.036 0.000 1.164 275 A CA 1.054 53.069 52.037 -0.037 0.000 0.644 275 A CB -0.331 18.657 19.000 -0.019 0.000 0.805 275 A HN 0.250 nan 8.150 nan 0.000 0.449 276 R N -0.777 119.697 120.500 -0.043 0.000 2.062 276 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 276 R C 2.075 178.352 176.300 -0.037 0.000 1.136 276 R CA 1.200 57.277 56.100 -0.039 0.000 0.948 276 R CB -0.729 29.545 30.300 -0.044 0.000 0.845 276 R HN 0.498 nan 8.270 nan 0.000 0.430 277 Q N 0.855 120.629 119.800 -0.043 0.000 2.291 277 Q HA -0.015 4.325 4.340 -0.000 0.000 0.206 277 Q C 2.201 178.180 176.000 -0.034 0.000 0.976 277 Q CA 1.017 56.797 55.803 -0.039 0.000 0.875 277 Q CB -0.066 28.645 28.738 -0.044 0.000 0.927 277 Q HN 0.362 nan 8.270 nan 0.000 0.450 278 L N -0.116 121.086 121.223 -0.035 0.000 2.270 278 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 278 L C 2.325 179.178 176.870 -0.027 0.000 1.104 278 L CA 0.593 55.416 54.840 -0.030 0.000 0.804 278 L CB -0.229 41.813 42.059 -0.029 0.000 0.937 278 L HN 0.125 nan 8.230 nan 0.000 0.450 279 Q N 0.600 120.383 119.800 -0.028 0.000 2.230 279 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 279 Q C 2.101 178.087 176.000 -0.024 0.000 0.963 279 Q CA 1.389 57.177 55.803 -0.026 0.000 0.866 279 Q CB -0.311 28.411 28.738 -0.025 0.000 0.931 279 Q HN 0.400 nan 8.270 nan 0.000 0.452 280 Q N -0.083 119.702 119.800 -0.024 0.000 2.118 280 Q HA -0.271 4.069 4.340 -0.000 0.000 0.211 280 Q C 1.075 177.063 176.000 -0.020 0.000 0.998 280 Q CA 2.354 58.144 55.803 -0.022 0.000 0.872 280 Q CB 0.055 28.779 28.738 -0.023 0.000 0.925 280 Q HN 0.458 nan 8.270 nan 0.000 0.414 281 E N -0.973 119.215 120.200 -0.020 0.000 2.414 281 E HA 0.138 4.488 4.350 -0.000 0.000 0.208 281 E C 2.131 178.721 176.600 -0.017 0.000 0.820 281 E CA 0.234 56.623 56.400 -0.017 0.000 1.143 281 E CB -0.222 29.468 29.700 -0.016 0.000 1.150 281 E HN 0.366 nan 8.360 nan 0.000 0.540 282 L N 0.062 121.274 121.223 -0.019 0.000 2.042 282 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 282 L C 1.843 178.701 176.870 -0.020 0.000 1.076 282 L CA 1.393 56.221 54.840 -0.020 0.000 0.749 282 L CB -0.605 41.440 42.059 -0.023 0.000 0.893 282 L HN 0.460 nan 8.230 nan 0.000 0.432 283 G N -0.215 108.573 108.800 -0.021 0.000 2.159 283 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 283 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 283 G C 0.231 175.117 174.900 -0.024 0.000 0.977 283 G CA -0.104 44.984 45.100 -0.020 0.000 0.652 283 G HN 0.343 nan 8.290 nan 0.000 0.531 284 R N 0.726 121.210 120.500 -0.027 0.000 2.422 284 R HA 0.317 4.657 4.340 -0.000 0.000 0.307 284 R C -0.543 175.733 176.300 -0.041 0.000 1.004 284 R CA -0.738 55.341 56.100 -0.034 0.000 0.882 284 R CB 1.099 31.378 30.300 -0.035 0.000 1.164 284 R HN 0.460 nan 8.270 nan 0.000 0.489 285 E N 4.098 124.271 120.200 -0.045 0.000 2.562 285 E HA -0.003 4.347 4.350 -0.000 0.000 0.241 285 E C -2.073 174.484 176.600 -0.073 0.000 1.136 285 E CA -1.046 55.323 56.400 -0.052 0.000 0.952 285 E CB -0.278 29.390 29.700 -0.053 0.000 0.975 285 E HN 0.169 nan 8.360 nan 0.000 0.494 286 P HA -0.217 nan 4.420 nan 0.000 0.263 286 P C -0.068 177.159 177.300 -0.120 0.000 1.145 286 P CA 0.609 63.672 63.100 -0.062 0.000 0.755 286 P CB 0.414 32.096 31.700 -0.031 0.000 0.746 287 T N 2.500 116.984 114.554 -0.118 0.000 2.860 287 T HA 0.078 4.428 4.350 -0.000 0.000 0.299 287 T C 0.513 175.143 174.700 -0.118 0.000 1.045 287 T CA -0.253 61.732 62.100 -0.192 0.000 1.071 287 T CB 0.120 68.926 68.868 -0.104 0.000 0.985 287 T HN 0.192 nan 8.240 nan 0.000 0.537 288 Y N 1.289 121.602 120.300 0.022 0.000 2.663 288 Y HA 0.127 4.677 4.550 -0.000 0.000 0.342 288 Y C 2.000 177.925 175.900 0.042 0.000 1.224 288 Y CA 0.072 58.193 58.100 0.035 0.000 1.268 288 Y CB -0.839 37.650 38.460 0.048 0.000 1.070 288 Y HN 0.747 nan 8.280 nan 0.000 0.491 289 E N 0.251 120.526 120.200 0.126 0.000 2.057 289 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 289 E C 1.616 178.262 176.600 0.075 0.000 0.969 289 E CA 0.756 57.212 56.400 0.093 0.000 0.812 289 E CB 0.323 30.054 29.700 0.052 0.000 0.777 289 E HN 0.311 nan 8.360 nan 0.000 0.455 290 E N 0.848 121.077 120.200 0.048 0.000 2.023 290 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 290 E C 1.971 178.587 176.600 0.027 0.000 1.003 290 E CA 1.165 57.580 56.400 0.026 0.000 0.809 290 E CB -0.397 29.306 29.700 0.005 0.000 0.755 290 E HN 0.271 nan 8.360 nan 0.000 0.449 291 I N 0.795 121.391 120.570 0.043 0.000 2.185 291 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 291 I C 1.959 178.082 176.117 0.009 0.000 1.088 291 I CA 1.853 63.162 61.300 0.014 0.000 1.347 291 I CB -0.672 37.375 38.000 0.079 0.000 1.041 291 I HN 0.110 nan 8.210 nan 0.000 0.415 292 A N -0.321 122.567 122.820 0.113 0.000 1.858 292 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 292 A C 2.239 179.905 177.584 0.135 0.000 1.190 292 A CA 1.956 54.111 52.037 0.198 0.000 0.617 292 A CB -0.905 18.217 19.000 0.204 0.000 0.827 292 A HN 0.587 nan 8.150 nan 0.000 0.443 293 E N -0.452 119.796 120.200 0.080 0.000 2.005 293 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 293 E C 2.392 178.999 176.600 0.013 0.000 1.010 293 E CA 1.150 57.581 56.400 0.051 0.000 0.825 293 E CB -0.368 29.352 29.700 0.034 0.000 0.769 293 E HN 0.563 nan 8.360 nan 0.000 0.456 294 A N 1.116 123.924 122.820 -0.020 0.000 1.958 294 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 294 A C 2.169 179.686 177.584 -0.111 0.000 1.178 294 A CA 1.632 53.635 52.037 -0.056 0.000 0.642 294 A CB -0.507 18.455 19.000 -0.064 0.000 0.816 294 A HN 0.225 nan 8.150 nan 0.000 0.453 295 M N -1.697 117.789 119.600 -0.189 0.000 2.059 295 M HA 0.042 4.522 4.480 -0.000 0.000 0.259 295 M C 1.407 177.574 176.300 -0.222 0.000 1.072 295 M CA 2.013 57.074 55.300 -0.398 0.000 1.117 295 M CB -0.841 31.212 32.600 -0.911 0.000 1.320 295 M HN 0.606 nan 8.290 nan 0.000 0.408 296 G N -2.167 106.625 108.800 -0.013 0.000 2.441 296 G HA2 0.086 4.046 3.960 -0.000 0.000 0.222 296 G HA3 0.086 4.046 3.960 -0.000 0.000 0.222 296 G C -2.511 172.527 174.900 0.230 0.000 1.254 296 G CA -0.475 44.695 45.100 0.118 0.000 0.959 296 G HN 0.069 nan 8.290 nan 0.000 0.474 297 P HA 0.060 nan 4.420 nan 0.000 0.208 297 P C 1.484 178.867 177.300 0.138 0.000 1.180 297 P CA 2.307 65.498 63.100 0.151 0.000 0.935 297 P CB -0.090 31.682 31.700 0.121 0.000 0.785 298 G N -2.211 106.654 108.800 0.109 0.000 3.959 298 G HA2 0.212 4.172 3.960 -0.000 0.000 0.298 298 G HA3 0.212 4.172 3.960 -0.000 0.000 0.298 298 G C -1.018 173.752 174.900 -0.217 0.000 1.211 298 G CA -0.358 44.704 45.100 -0.064 0.000 1.001 298 G HN 0.101 nan 8.290 nan 0.000 0.561 299 W N 2.013 123.318 121.300 0.008 0.000 2.361 299 W HA 0.495 5.155 4.660 -0.000 0.000 0.309 299 W C -0.134 176.391 176.519 0.009 0.000 1.122 299 W CA -0.625 56.724 57.345 0.006 0.000 1.208 299 W CB 1.482 30.946 29.460 0.006 0.000 1.246 299 W HN 0.230 nan 8.180 nan 0.000 0.490 300 D N 0.884 121.372 120.400 0.146 0.000 2.531 300 D HA 0.453 5.093 4.640 -0.000 0.000 0.244 300 D C 0.670 177.037 176.300 0.111 0.000 1.090 300 D CA -0.706 53.354 54.000 0.100 0.000 0.989 300 D CB 1.171 41.982 40.800 0.018 0.000 1.433 300 D HN 0.370 nan 8.370 nan 0.000 0.492 301 A N 1.067 123.947 122.820 0.101 0.000 1.892 301 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 301 A C 2.007 179.597 177.584 0.009 0.000 1.188 301 A CA 2.902 55.003 52.037 0.107 0.000 0.631 301 A CB -0.846 18.234 19.000 0.133 0.000 0.822 301 A HN 0.742 nan 8.150 nan 0.000 0.447 302 K N 0.061 120.458 120.400 -0.004 0.000 2.103 302 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 302 K C 2.045 178.598 176.600 -0.078 0.000 1.048 302 K CA 1.856 58.116 56.287 -0.044 0.000 0.930 302 K CB -0.326 32.153 32.500 -0.035 0.000 0.716 302 K HN 0.411 nan 8.250 nan 0.000 0.444 303 R N 0.564 121.024 120.500 -0.067 0.000 2.062 303 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 303 R C 1.983 178.290 176.300 0.012 0.000 1.136 303 R CA 1.640 57.686 56.100 -0.090 0.000 0.948 303 R CB -0.291 29.881 30.300 -0.212 0.000 0.845 303 R HN 0.144 nan 8.270 nan 0.000 0.430 304 V N 1.078 121.036 119.914 0.073 0.000 2.307 304 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 304 V C 2.270 178.169 176.094 -0.325 0.000 1.045 304 V CA 2.180 64.492 62.300 0.019 0.000 1.024 304 V CB -0.609 31.249 31.823 0.058 0.000 0.651 304 V HN 0.486 nan 8.190 nan 0.000 0.449 305 E N 0.289 120.130 120.200 -0.599 0.000 2.118 305 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 305 E C 2.171 178.600 176.600 -0.285 0.000 0.992 305 E CA 1.847 57.817 56.400 -0.716 0.000 0.804 305 E CB -0.124 29.278 29.700 -0.496 0.000 0.741 305 E HN 0.693 nan 8.360 nan 0.000 0.458 306 E N -0.821 119.279 120.200 -0.168 0.000 2.046 306 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 306 E C 2.139 178.713 176.600 -0.043 0.000 0.982 306 E CA 1.714 58.065 56.400 -0.082 0.000 0.800 306 E CB -0.025 29.637 29.700 -0.064 0.000 0.756 306 E HN 0.511 nan 8.360 nan 0.000 0.449 307 T N -0.283 114.265 114.554 -0.010 0.000 2.746 307 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 307 T C 1.947 176.658 174.700 0.018 0.000 1.039 307 T CA 0.974 63.099 62.100 0.042 0.000 1.142 307 T CB -0.464 68.487 68.868 0.138 0.000 0.866 307 T HN 0.103 nan 8.240 nan 0.000 0.444 308 L N 0.243 121.458 121.223 -0.015 0.000 2.376 308 L HA 0.134 4.474 4.340 -0.000 0.000 0.219 308 L C 2.875 179.750 176.870 0.009 0.000 1.133 308 L CA 1.055 55.898 54.840 0.004 0.000 0.816 308 L CB -0.535 41.536 42.059 0.019 0.000 0.933 308 L HN 0.291 nan 8.230 nan 0.000 0.449 309 K N 0.978 121.371 120.400 -0.011 0.000 2.167 309 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 309 K C 1.934 178.541 176.600 0.012 0.000 1.052 309 K CA 0.804 57.093 56.287 0.004 0.000 0.956 309 K CB 0.153 32.647 32.500 -0.009 0.000 0.735 309 K HN 0.250 nan 8.250 nan 0.000 0.451 310 I N 0.147 120.723 120.570 0.011 0.000 2.876 310 I HA -0.041 4.129 4.170 -0.000 0.000 0.264 310 I C 2.117 178.246 176.117 0.020 0.000 1.204 310 I CA 0.408 61.718 61.300 0.016 0.000 1.485 310 I CB 0.042 38.053 38.000 0.018 0.000 1.103 310 I HN 0.099 nan 8.210 nan 0.000 0.446 311 A N 0.373 123.206 122.820 0.021 0.000 1.968 311 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 311 A C 1.287 178.882 177.584 0.019 0.000 1.169 311 A CA 0.534 52.583 52.037 0.020 0.000 0.638 311 A CB -0.452 18.560 19.000 0.020 0.000 0.812 311 A HN 0.417 nan 8.150 nan 0.000 0.446 312 Q N 1.565 121.379 119.800 0.023 0.000 2.262 312 Q HA 0.159 4.498 4.340 -0.000 0.000 0.272 312 Q C -0.411 175.603 176.000 0.022 0.000 1.076 312 Q CA 0.004 55.821 55.803 0.024 0.000 0.905 312 Q CB 0.535 29.291 28.738 0.030 0.000 1.182 312 Q HN 0.525 nan 8.270 nan 0.000 0.390 313 E N 3.697 123.909 120.200 0.020 0.000 2.410 313 E HA 0.084 4.434 4.350 -0.000 0.000 0.255 313 E C -1.720 174.894 176.600 0.024 0.000 1.194 313 E CA -1.262 55.149 56.400 0.019 0.000 0.955 313 E CB 0.118 29.827 29.700 0.016 0.000 0.988 313 E HN 0.461 nan 8.360 nan 0.000 0.461 314 P HA 0.065 nan 4.420 nan 0.000 0.296 314 P C -0.415 176.908 177.300 0.038 0.000 1.295 314 P CA -0.179 62.940 63.100 0.032 0.000 0.754 314 P CB 0.429 32.145 31.700 0.027 0.000 1.311 315 V N -1.302 118.646 119.914 0.057 0.000 2.960 315 V HA 0.327 4.447 4.120 -0.000 0.000 0.315 315 V C 0.296 176.436 176.094 0.076 0.000 1.087 315 V CA -0.726 61.615 62.300 0.069 0.000 0.982 315 V CB 1.774 33.665 31.823 0.112 0.000 1.039 315 V HN 0.662 nan 8.190 nan 0.000 0.437 316 S N 1.668 117.406 115.700 0.063 0.000 2.528 316 S HA 0.260 4.730 4.470 -0.000 0.000 0.277 316 S C 0.884 175.546 174.600 0.103 0.000 1.297 316 S CA -0.332 57.895 58.200 0.045 0.000 1.052 316 S CB 0.462 63.669 63.200 0.012 0.000 0.917 316 S HN 0.686 nan 8.310 nan 0.000 0.492 317 L N 3.703 124.932 121.223 0.010 0.000 2.056 317 L HA 0.159 4.499 4.340 -0.000 0.000 0.207 317 L C 0.580 177.370 176.870 -0.135 0.000 1.078 317 L CA 1.262 56.071 54.840 -0.051 0.000 0.749 317 L CB 0.031 42.005 42.059 -0.142 0.000 0.901 317 L HN 0.653 nan 8.230 nan 0.000 0.433 318 E N 0.117 120.142 120.200 -0.291 0.000 2.046 318 E HA 0.281 4.631 4.350 -0.000 0.000 0.279 318 E C -1.125 175.285 176.600 -0.315 0.000 0.989 318 E CA -0.053 55.920 56.400 -0.712 0.000 0.798 318 E CB 1.088 30.133 29.700 -1.092 0.000 1.086 318 E HN 0.107 nan 8.360 nan 0.000 0.399 319 T N 3.574 118.113 114.554 -0.025 0.000 2.894 319 T HA 0.440 4.790 4.350 -0.000 0.000 0.309 319 T C -2.698 172.214 174.700 0.353 0.000 1.208 319 T CA -1.751 60.458 62.100 0.181 0.000 1.016 319 T CB 1.823 70.716 68.868 0.043 0.000 1.192 319 T HN 0.081 nan 8.240 nan 0.000 0.491 320 P HA 0.399 nan 4.420 nan 0.000 0.282 320 P C -0.739 176.649 177.300 0.147 0.000 1.274 320 P CA -0.463 62.748 63.100 0.184 0.000 0.770 320 P CB 0.332 32.089 31.700 0.095 0.000 0.867 321 I N 1.525 122.218 120.570 0.205 0.000 2.910 321 I HA 0.519 4.689 4.170 -0.000 0.000 0.310 321 I C 1.519 177.751 176.117 0.191 0.000 1.043 321 I CA -0.557 60.883 61.300 0.233 0.000 1.053 321 I CB 0.514 38.825 38.000 0.518 0.000 1.242 321 I HN 0.623 nan 8.210 nan 0.000 0.452 322 G N 4.077 112.954 108.800 0.129 0.000 2.660 322 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.321 322 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.321 322 G C -0.385 174.548 174.900 0.055 0.000 1.246 322 G CA 0.438 45.580 45.100 0.070 0.000 1.000 322 G HN 0.655 nan 8.290 nan 0.000 0.550 323 D N 1.913 122.342 120.400 0.049 0.000 2.365 323 D HA 0.511 5.151 4.640 -0.000 0.000 0.237 323 D C 0.905 177.229 176.300 0.041 0.000 1.190 323 D CA -0.112 53.908 54.000 0.034 0.000 0.867 323 D CB 1.175 41.988 40.800 0.023 0.000 1.050 323 D HN 0.467 nan 8.370 nan 0.000 0.491 324 E N 1.480 121.701 120.200 0.034 0.000 2.483 324 E HA -0.237 4.113 4.350 -0.000 0.000 0.205 324 E C 1.533 178.130 176.600 -0.005 0.000 1.075 324 E CA 0.466 56.880 56.400 0.023 0.000 0.889 324 E CB -0.018 29.692 29.700 0.016 0.000 0.816 324 E HN 0.400 nan 8.360 nan 0.000 0.567 325 K N 0.881 121.282 120.400 0.001 0.000 2.127 325 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 325 K C 0.392 176.968 176.600 -0.041 0.000 1.050 325 K CA 1.925 58.205 56.287 -0.013 0.000 0.929 325 K CB 0.116 32.617 32.500 0.001 0.000 0.715 325 K HN 0.328 nan 8.250 nan 0.000 0.457 326 D N -2.019 118.355 120.400 -0.043 0.000 3.333 326 D HA -0.050 4.590 4.640 -0.000 0.000 0.281 326 D C -0.917 175.329 176.300 -0.090 0.000 1.578 326 D CA -0.211 53.726 54.000 -0.106 0.000 0.857 326 D CB -0.969 39.785 40.800 -0.077 0.000 1.603 326 D HN 0.024 nan 8.370 nan 0.000 0.508 327 S N 0.402 116.102 115.700 0.000 0.000 2.465 327 S HA 0.552 5.022 4.470 -0.000 0.000 0.279 327 S C -0.610 174.071 174.600 0.136 0.000 1.201 327 S CA -0.403 57.883 58.200 0.142 0.000 1.053 327 S CB 0.122 63.517 63.200 0.324 0.000 0.953 327 S HN 0.248 nan 8.310 nan 0.000 0.488 328 F N 6.119 125.991 119.950 -0.131 0.000 2.382 328 F HA 0.260 4.787 4.527 -0.000 0.000 0.361 328 F C 0.836 176.300 175.800 -0.559 0.000 1.109 328 F CA -1.087 56.782 58.000 -0.218 0.000 1.031 328 F CB 0.936 39.851 39.000 -0.142 0.000 1.234 328 F HN 0.822 nan 8.300 nan 0.000 0.445 329 Y N 3.941 123.999 120.300 -0.404 0.000 2.062 329 Y HA -0.310 4.240 4.550 -0.000 0.000 0.273 329 Y C 2.201 177.758 175.900 -0.573 0.000 1.206 329 Y CA 2.126 59.885 58.100 -0.568 0.000 1.125 329 Y CB -0.842 37.517 38.460 -0.168 0.000 0.951 329 Y HN 0.612 nan 8.280 nan 0.000 0.501 330 G N -1.045 107.487 108.800 -0.445 0.000 2.564 330 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 330 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 330 G C 1.278 175.946 174.900 -0.386 0.000 1.120 330 G CA 1.121 45.941 45.100 -0.465 0.000 0.752 330 G HN 0.501 nan 8.290 nan 0.000 0.558 331 D N -0.466 119.655 120.400 -0.465 0.000 2.271 331 D HA 0.010 4.650 4.640 -0.000 0.000 0.206 331 D C 1.770 178.031 176.300 -0.065 0.000 0.967 331 D CA 0.036 53.886 54.000 -0.249 0.000 0.867 331 D CB -0.061 40.628 40.800 -0.185 0.000 0.960 331 D HN 0.232 nan 8.370 nan 0.000 0.509 332 F N 0.697 120.623 119.950 -0.041 0.000 2.502 332 F HA 0.202 4.729 4.527 -0.000 0.000 0.298 332 F C 1.029 176.781 175.800 -0.080 0.000 1.111 332 F CA -0.209 57.774 58.000 -0.028 0.000 1.445 332 F CB -0.913 38.115 39.000 0.047 0.000 1.081 332 F HN -0.098 nan 8.300 nan 0.000 0.558 333 I N 2.059 122.612 120.570 -0.029 0.000 2.471 333 I HA 0.135 4.305 4.170 -0.000 0.000 0.286 333 I C -1.658 174.448 176.117 -0.018 0.000 1.079 333 I CA -1.630 59.635 61.300 -0.059 0.000 1.398 333 I CB 0.197 38.097 38.000 -0.167 0.000 1.403 333 I HN -0.153 nan 8.210 nan 0.000 0.530 334 P HA 0.209 nan 4.420 nan 0.000 0.297 334 P C -1.522 175.782 177.300 0.007 0.000 1.303 334 P CA -0.407 62.702 63.100 0.015 0.000 0.753 334 P CB 0.435 32.151 31.700 0.026 0.000 1.281 335 D N -2.057 118.352 120.400 0.016 0.000 2.481 335 D HA 0.222 4.862 4.640 -0.000 0.000 0.244 335 D C 0.372 176.707 176.300 0.059 0.000 1.057 335 D CA -0.677 53.339 54.000 0.026 0.000 0.848 335 D CB 1.277 42.078 40.800 0.001 0.000 1.388 335 D HN 0.321 nan 8.370 nan 0.000 0.475 336 E N 1.624 121.896 120.200 0.120 0.000 2.228 336 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 336 E C 1.276 177.976 176.600 0.166 0.000 0.909 336 E CA 0.559 57.032 56.400 0.123 0.000 0.911 336 E CB -0.778 28.977 29.700 0.092 0.000 0.887 336 E HN 0.733 nan 8.360 nan 0.000 0.481 337 H N 2.137 121.205 119.070 -0.004 0.000 2.352 337 H HA 0.064 4.620 4.556 -0.000 0.000 0.299 337 H C 0.770 176.097 175.328 -0.002 0.000 1.097 337 H CA 0.315 56.361 56.048 -0.003 0.000 1.311 337 H CB -0.219 29.540 29.762 -0.005 0.000 1.377 337 H HN 0.013 nan 8.280 nan 0.000 0.504 338 L N 3.323 124.620 121.223 0.125 0.000 2.534 338 L HA 0.098 4.438 4.340 -0.000 0.000 0.271 338 L C -2.210 174.687 176.870 0.045 0.000 1.178 338 L CA -1.682 53.188 54.840 0.051 0.000 0.907 338 L CB -0.385 41.681 42.059 0.010 0.000 1.164 338 L HN -0.132 nan 8.230 nan 0.000 0.482 339 P HA 0.030 nan 4.420 nan 0.000 0.271 339 P C 0.054 177.366 177.300 0.020 0.000 1.380 339 P CA -0.031 63.085 63.100 0.027 0.000 0.992 339 P CB 0.737 32.450 31.700 0.023 0.000 1.230 340 S N 5.555 121.268 115.700 0.021 0.000 2.546 340 S HA 0.044 4.514 4.470 -0.000 0.000 0.290 340 S C -1.035 173.574 174.600 0.015 0.000 1.290 340 S CA -0.781 57.429 58.200 0.017 0.000 1.069 340 S CB -0.077 63.133 63.200 0.018 0.000 0.846 340 S HN 0.217 nan 8.310 nan 0.000 0.495 341 P HA -0.322 nan 4.420 nan 0.000 0.232 341 P C 1.628 178.935 177.300 0.011 0.000 1.135 341 P CA 2.452 65.559 63.100 0.011 0.000 0.969 341 P CB -0.561 31.145 31.700 0.010 0.000 0.777 342 V N -2.597 117.324 119.914 0.012 0.000 2.363 342 V HA -0.297 3.823 4.120 -0.000 0.000 0.254 342 V C 1.771 177.873 176.094 0.013 0.000 1.074 342 V CA 2.553 64.861 62.300 0.012 0.000 1.069 342 V CB -1.466 30.365 31.823 0.014 0.000 0.659 342 V HN 0.167 nan 8.190 nan 0.000 0.455 343 D N 0.904 121.312 120.400 0.014 0.000 2.240 343 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 343 D C 2.317 178.625 176.300 0.012 0.000 0.963 343 D CA 1.350 55.359 54.000 0.014 0.000 0.863 343 D CB 0.107 40.917 40.800 0.017 0.000 0.973 343 D HN 0.592 nan 8.370 nan 0.000 0.501 344 A N 1.735 124.562 122.820 0.011 0.000 1.902 344 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 344 A C 2.373 179.961 177.584 0.007 0.000 1.181 344 A CA 1.825 53.868 52.037 0.009 0.000 0.623 344 A CB -0.541 18.464 19.000 0.009 0.000 0.818 344 A HN 0.227 nan 8.150 nan 0.000 0.443 345 A N -0.966 121.859 122.820 0.007 0.000 1.972 345 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 345 A C 2.270 179.857 177.584 0.005 0.000 1.169 345 A CA 2.215 54.256 52.037 0.006 0.000 0.635 345 A CB -1.182 17.823 19.000 0.007 0.000 0.810 345 A HN 0.438 nan 8.150 nan 0.000 0.446 346 T N -0.218 114.340 114.554 0.007 0.000 2.595 346 T HA -0.199 4.151 4.350 -0.000 0.000 0.264 346 T C 2.062 176.763 174.700 0.002 0.000 1.058 346 T CA 1.873 63.977 62.100 0.006 0.000 1.166 346 T CB -0.360 68.514 68.868 0.009 0.000 0.863 346 T HN 0.452 nan 8.240 nan 0.000 0.415 347 Q N 0.985 120.787 119.800 0.003 0.000 2.248 347 Q HA -0.113 4.227 4.340 -0.000 0.000 0.208 347 Q C 2.539 178.538 176.000 -0.001 0.000 0.984 347 Q CA 1.632 57.435 55.803 0.001 0.000 0.875 347 Q CB -0.537 28.203 28.738 0.003 0.000 0.910 347 Q HN 0.735 nan 8.270 nan 0.000 0.433 348 S N -0.814 114.886 115.700 0.000 0.000 2.335 348 S HA -0.090 4.380 4.470 -0.000 0.000 0.217 348 S C 1.785 176.383 174.600 -0.003 0.000 1.032 348 S CA 0.719 58.918 58.200 -0.001 0.000 0.985 348 S CB -0.552 62.649 63.200 0.001 0.000 0.896 348 S HN 0.249 nan 8.310 nan 0.000 0.445 349 L N 2.153 123.373 121.223 -0.004 0.000 2.017 349 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 349 L C 2.713 179.575 176.870 -0.013 0.000 1.073 349 L CA 1.967 56.803 54.840 -0.007 0.000 0.745 349 L CB -1.634 40.421 42.059 -0.007 0.000 0.894 349 L HN 0.541 nan 8.230 nan 0.000 0.432 350 L N -0.725 120.489 121.223 -0.014 0.000 1.971 350 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 350 L C 2.535 179.394 176.870 -0.019 0.000 1.072 350 L CA 2.295 57.123 54.840 -0.021 0.000 0.758 350 L CB -0.555 41.493 42.059 -0.018 0.000 0.889 350 L HN 0.098 nan 8.230 nan 0.000 0.433 351 S N -0.361 115.331 115.700 -0.012 0.000 2.383 351 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 351 S C 1.729 176.324 174.600 -0.009 0.000 1.026 351 S CA 1.585 59.779 58.200 -0.010 0.000 0.981 351 S CB -0.360 62.837 63.200 -0.006 0.000 0.818 351 S HN 0.547 nan 8.310 nan 0.000 0.472 352 E N 0.750 120.945 120.200 -0.008 0.000 2.072 352 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 352 E C 2.134 178.729 176.600 -0.008 0.000 0.985 352 E CA 0.960 57.357 56.400 -0.006 0.000 0.801 352 E CB -0.040 29.657 29.700 -0.005 0.000 0.750 352 E HN 0.241 nan 8.360 nan 0.000 0.452 353 E N 0.402 120.594 120.200 -0.013 0.000 2.112 353 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 353 E C 1.877 178.465 176.600 -0.019 0.000 0.979 353 E CA 0.530 56.919 56.400 -0.018 0.000 0.814 353 E CB 0.007 29.690 29.700 -0.029 0.000 0.762 353 E HN 0.165 nan 8.360 nan 0.000 0.460 354 L N 0.329 121.539 121.223 -0.022 0.000 2.141 354 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 354 L C 2.299 179.163 176.870 -0.009 0.000 1.094 354 L CA 1.151 55.978 54.840 -0.020 0.000 0.763 354 L CB -0.180 41.865 42.059 -0.023 0.000 0.908 354 L HN 0.154 nan 8.230 nan 0.000 0.437 355 E N -0.025 120.172 120.200 -0.006 0.000 2.107 355 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 355 E C 2.110 178.713 176.600 0.004 0.000 0.982 355 E CA 0.760 57.160 56.400 -0.001 0.000 0.809 355 E CB 0.220 29.919 29.700 -0.001 0.000 0.756 355 E HN 0.414 nan 8.360 nan 0.000 0.459 356 K N 0.164 120.567 120.400 0.005 0.000 2.057 356 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 356 K C 2.132 178.748 176.600 0.026 0.000 1.050 356 K CA 1.045 57.340 56.287 0.014 0.000 0.935 356 K CB -0.066 32.442 32.500 0.013 0.000 0.715 356 K HN 0.020 nan 8.250 nan 0.000 0.439 357 A N 1.552 124.388 122.820 0.027 0.000 1.898 357 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 357 A C 2.119 179.725 177.584 0.038 0.000 1.181 357 A CA 1.047 53.113 52.037 0.049 0.000 0.620 357 A CB -0.537 18.483 19.000 0.032 0.000 0.819 357 A HN 0.251 nan 8.150 nan 0.000 0.442 358 L N 0.820 122.055 121.223 0.020 0.000 2.187 358 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 358 L C 2.603 179.480 176.870 0.012 0.000 1.100 358 L CA 2.661 57.509 54.840 0.013 0.000 0.765 358 L CB -0.417 41.646 42.059 0.006 0.000 0.904 358 L HN 0.516 nan 8.230 nan 0.000 0.437 359 S N -1.606 114.101 115.700 0.013 0.000 2.387 359 S HA -0.038 4.432 4.470 -0.000 0.000 0.221 359 S C 1.524 176.128 174.600 0.007 0.000 1.041 359 S CA 0.116 58.321 58.200 0.008 0.000 0.959 359 S CB -0.462 62.743 63.200 0.008 0.000 0.843 359 S HN 0.367 nan 8.310 nan 0.000 0.488 360 K N 1.746 122.154 120.400 0.012 0.000 2.743 360 K HA 0.346 4.666 4.320 -0.000 0.000 0.219 360 K C -0.090 176.503 176.600 -0.011 0.000 1.003 360 K CA 0.041 56.328 56.287 0.001 0.000 1.156 360 K CB -0.830 31.675 32.500 0.010 0.000 0.932 360 K HN 0.468 nan 8.250 nan 0.000 0.490 361 L N -0.434 120.787 121.223 -0.003 0.000 2.303 361 L HA 0.245 4.585 4.340 -0.000 0.000 0.256 361 L C -0.524 176.342 176.870 -0.006 0.000 1.034 361 L CA -0.722 54.114 54.840 -0.005 0.000 0.832 361 L CB 2.226 44.291 42.059 0.009 0.000 1.403 361 L HN -0.106 nan 8.230 nan 0.000 0.419 362 S N 0.606 116.302 115.700 -0.007 0.000 2.525 362 S HA -0.003 4.467 4.470 -0.000 0.000 0.285 362 S C 0.647 175.245 174.600 -0.002 0.000 1.283 362 S CA -0.181 58.016 58.200 -0.006 0.000 1.072 362 S CB 0.657 63.853 63.200 -0.006 0.000 0.867 362 S HN 0.667 nan 8.310 nan 0.000 0.492 363 E N 3.264 123.463 120.200 -0.002 0.000 2.461 363 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 363 E C 1.074 177.673 176.600 -0.001 0.000 1.129 363 E CA 0.277 56.676 56.400 -0.001 0.000 0.902 363 E CB 0.177 29.877 29.700 -0.001 0.000 0.963 363 E HN 0.454 nan 8.360 nan 0.000 0.503 364 R N 0.799 121.299 120.500 -0.001 0.000 1.802 364 R HA 0.065 4.405 4.340 -0.000 0.000 0.149 364 R C 1.639 177.939 176.300 -0.000 0.000 1.595 364 R CA 0.598 56.697 56.100 -0.001 0.000 1.574 364 R CB -0.396 29.903 30.300 -0.002 0.000 0.923 364 R HN 0.091 nan 8.270 nan 0.000 0.524 365 E N 0.689 120.889 120.200 0.000 0.000 2.409 365 E HA -0.043 4.307 4.350 -0.000 0.000 0.198 365 E C 1.418 178.019 176.600 0.003 0.000 1.024 365 E CA 0.829 57.230 56.400 0.001 0.000 0.861 365 E CB 0.095 29.796 29.700 0.001 0.000 0.788 365 E HN 0.441 nan 8.360 nan 0.000 0.521 366 A N -0.030 122.792 122.820 0.003 0.000 1.898 366 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 366 A C 1.812 179.398 177.584 0.004 0.000 1.183 366 A CA 0.947 52.987 52.037 0.005 0.000 0.622 366 A CB -0.109 18.896 19.000 0.007 0.000 0.824 366 A HN 0.148 nan 8.150 nan 0.000 0.444 367 M N -0.254 119.348 119.600 0.002 0.000 2.254 367 M HA -0.001 4.479 4.480 -0.000 0.000 0.265 367 M C 2.092 178.392 176.300 0.001 0.000 1.066 367 M CA 0.824 56.125 55.300 0.001 0.000 1.123 367 M CB -1.658 30.943 32.600 0.001 0.000 1.388 367 M HN 0.160 nan 8.290 nan 0.000 0.425 368 V N 1.045 120.959 119.914 0.001 0.000 2.255 368 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 368 V C 2.486 178.580 176.094 0.000 0.000 1.051 368 V CA 1.734 64.034 62.300 0.000 0.000 1.018 368 V CB -0.649 31.174 31.823 0.000 0.000 0.641 368 V HN 0.412 nan 8.190 nan 0.000 0.445 369 L N -0.337 120.887 121.223 0.001 0.000 2.313 369 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 369 L C 2.504 179.374 176.870 -0.000 0.000 1.119 369 L CA 0.994 55.834 54.840 0.001 0.000 0.809 369 L CB -0.635 41.425 42.059 0.002 0.000 0.933 369 L HN 0.257 nan 8.230 nan 0.000 0.449 370 K N 1.271 121.671 120.400 0.000 0.000 2.076 370 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 370 K C 1.939 178.538 176.600 -0.002 0.000 1.051 370 K CA 1.346 57.633 56.287 -0.001 0.000 0.949 370 K CB 0.032 32.532 32.500 -0.000 0.000 0.726 370 K HN 0.313 nan 8.250 nan 0.000 0.443 371 L N 0.147 121.369 121.223 -0.001 0.000 2.127 371 L HA 0.012 4.352 4.340 -0.000 0.000 0.203 371 L C 2.778 179.648 176.870 -0.001 0.000 1.080 371 L CA 0.678 55.518 54.840 -0.001 0.000 0.768 371 L CB -0.380 41.678 42.059 -0.001 0.000 0.924 371 L HN 0.076 nan 8.230 nan 0.000 0.444 372 R N 0.433 120.932 120.500 -0.001 0.000 2.105 372 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 372 R C 2.209 178.508 176.300 -0.001 0.000 1.135 372 R CA 1.420 57.520 56.100 -0.001 0.000 0.967 372 R CB 0.054 30.354 30.300 -0.001 0.000 0.861 372 R HN 0.088 nan 8.270 nan 0.000 0.442 373 K N -1.885 118.514 120.400 -0.002 0.000 2.141 373 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 373 K C 1.788 178.386 176.600 -0.003 0.000 1.045 373 K CA 1.314 57.600 56.287 -0.002 0.000 0.971 373 K CB -0.076 32.422 32.500 -0.003 0.000 0.795 373 K HN 0.327 nan 8.250 nan 0.000 0.459 374 G N 0.596 109.393 108.800 -0.004 0.000 2.838 374 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.210 374 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.210 374 G C 1.312 176.210 174.900 -0.003 0.000 1.153 374 G CA 0.048 45.145 45.100 -0.004 0.000 0.778 374 G HN 0.135 nan 8.290 nan 0.000 0.539 375 L N -0.617 120.605 121.223 -0.002 0.000 2.362 375 L HA 0.518 4.858 4.340 -0.000 0.000 0.204 375 L C 2.035 178.904 176.870 -0.001 0.000 1.060 375 L CA 1.098 55.937 54.840 -0.002 0.000 0.827 375 L CB -0.004 42.055 42.059 -0.001 0.000 1.027 375 L HN 0.152 nan 8.230 nan 0.000 0.474 376 I N -1.533 119.036 120.570 -0.001 0.000 3.744 376 I HA 0.217 4.387 4.170 -0.000 0.000 0.240 376 I C -0.468 175.648 176.117 -0.002 0.000 1.096 376 I CA -0.202 61.097 61.300 -0.001 0.000 1.558 376 I CB 0.313 38.312 38.000 -0.001 0.000 1.531 376 I HN -0.050 nan 8.210 nan 0.000 0.459 377 D N 0.904 121.303 120.400 -0.002 0.000 2.927 377 D HA 0.327 4.967 4.640 -0.000 0.000 0.219 377 D C -0.352 175.946 176.300 -0.002 0.000 1.248 377 D CA -0.047 53.951 54.000 -0.002 0.000 0.861 377 D CB 2.351 43.150 40.800 -0.002 0.000 1.677 377 D HN 0.332 nan 8.370 nan 0.000 0.511 385 E N 0.208 120.408 120.200 0.000 0.000 2.095 385 E HA -0.178 4.172 4.350 -0.000 0.000 0.212 385 E C 2.563 179.163 176.600 -0.000 0.000 1.044 385 E CA 3.833 60.233 56.400 0.000 0.000 0.857 385 E CB -1.489 28.211 29.700 0.000 0.000 0.764 385 E HN 1.861 nan 8.360 nan 0.000 0.462 386 V N 0.618 120.532 119.914 -0.001 0.000 2.255 386 V HA 0.115 4.234 4.120 -0.000 0.000 0.247 386 V C 2.885 178.979 176.094 -0.001 0.000 1.051 386 V CA 3.161 65.460 62.300 -0.001 0.000 1.018 386 V CB -1.187 30.636 31.823 -0.001 0.000 0.641 386 V HN 0.664 nan 8.190 nan 0.000 0.445 387 G N -1.176 107.623 108.800 -0.001 0.000 2.776 387 G HA2 0.225 4.185 3.960 -0.000 0.000 0.209 387 G HA3 0.225 4.185 3.960 -0.000 0.000 0.209 387 G C 1.458 176.357 174.900 -0.001 0.000 1.145 387 G CA 1.250 46.349 45.100 -0.001 0.000 0.791 387 G HN 0.987 nan 8.290 nan 0.000 0.530 388 A N -0.114 122.706 122.820 -0.001 0.000 1.903 388 A HA 0.550 4.870 4.320 -0.000 0.000 0.213 388 A C 1.247 178.830 177.584 -0.001 0.000 1.185 388 A CA 0.926 52.962 52.037 -0.000 0.000 0.628 388 A CB -0.388 18.612 19.000 -0.000 0.000 0.830 388 A HN 0.675 nan 8.150 nan 0.000 0.446 389 F N -1.919 118.031 119.950 -0.001 0.000 2.385 389 F HA 0.537 5.064 4.527 -0.000 0.000 0.336 389 F C 1.402 177.201 175.800 -0.001 0.000 1.100 389 F CA -1.425 56.575 58.000 -0.001 0.000 1.116 389 F CB -0.884 38.115 39.000 -0.001 0.000 1.166 389 F HN 0.578 nan 8.300 nan 0.000 0.511 390 F N 1.285 121.235 119.950 -0.001 0.000 2.036 390 F HA 0.181 4.708 4.527 -0.000 0.000 0.303 390 F C 2.158 177.957 175.800 -0.001 0.000 1.294 390 F CA 2.495 60.494 58.000 -0.001 0.000 1.210 390 F CB -1.203 37.796 39.000 -0.001 0.000 0.937 390 F HN 0.921 nan 8.300 nan 0.000 0.538 391 G N -0.801 107.999 108.800 -0.001 0.000 2.608 391 G HA2 0.339 4.299 3.960 -0.000 0.000 0.210 391 G HA3 0.339 4.299 3.960 -0.000 0.000 0.210 391 G C 0.523 175.422 174.900 -0.002 0.000 1.139 391 G CA 0.736 45.836 45.100 -0.001 0.000 0.812 391 G HN 0.678 nan 8.290 nan 0.000 0.529 392 V N 3.153 123.066 119.914 -0.002 0.000 2.529 392 V HA 0.187 4.307 4.120 -0.000 0.000 0.292 392 V C 1.043 177.136 176.094 -0.002 0.000 1.028 392 V CA -0.315 61.984 62.300 -0.002 0.000 1.074 392 V CB 0.222 32.044 31.823 -0.002 0.000 0.958 392 V HN 0.258 nan 8.190 nan 0.000 0.481 393 T N 4.494 119.047 114.554 -0.002 0.000 2.652 393 T HA 0.038 4.388 4.350 -0.000 0.000 0.345 393 T C 1.442 176.141 174.700 -0.002 0.000 1.051 393 T CA -0.152 61.947 62.100 -0.002 0.000 1.021 393 T CB 0.462 69.329 68.868 -0.002 0.000 1.141 393 T HN 0.623 nan 8.240 nan 0.000 0.518 394 R N 0.149 120.648 120.500 -0.002 0.000 2.075 394 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 394 R C 2.560 178.859 176.300 -0.002 0.000 1.126 394 R CA 1.390 57.489 56.100 -0.001 0.000 0.963 394 R CB -0.295 30.004 30.300 -0.001 0.000 0.858 394 R HN 0.646 nan 8.270 nan 0.000 0.435 395 E N 0.322 120.521 120.200 -0.002 0.000 2.118 395 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 395 E C 1.769 178.368 176.600 -0.003 0.000 0.992 395 E CA 1.369 57.767 56.400 -0.003 0.000 0.804 395 E CB 0.065 29.764 29.700 -0.003 0.000 0.741 395 E HN -0.006 nan 8.360 nan 0.000 0.458 396 R N -0.208 120.290 120.500 -0.003 0.000 2.200 396 R HA 0.133 4.473 4.340 -0.000 0.000 0.208 396 R C 2.200 178.499 176.300 -0.002 0.000 1.033 396 R CA 0.433 56.532 56.100 -0.003 0.000 1.000 396 R CB -0.358 29.940 30.300 -0.003 0.000 0.906 396 R HN 0.358 nan 8.270 nan 0.000 0.462 397 I N 0.115 120.684 120.570 -0.002 0.000 2.094 397 I HA -0.275 3.895 4.170 -0.000 0.000 0.234 397 I C 2.692 178.808 176.117 -0.000 0.000 1.063 397 I CA 1.271 62.571 61.300 -0.001 0.000 1.328 397 I CB -0.451 37.549 38.000 -0.001 0.000 1.058 397 I HN 0.080 nan 8.210 nan 0.000 0.400 398 R N 0.721 121.220 120.500 -0.001 0.000 2.103 398 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 398 R C 2.404 178.703 176.300 -0.002 0.000 1.142 398 R CA 1.656 57.756 56.100 -0.001 0.000 0.960 398 R CB -0.257 30.042 30.300 -0.001 0.000 0.858 398 R HN 0.394 nan 8.270 nan 0.000 0.439 399 Q N 0.632 120.431 119.800 -0.003 0.000 1.985 399 Q HA -0.199 4.141 4.340 -0.000 0.000 0.207 399 Q C 2.188 178.186 176.000 -0.004 0.000 0.996 399 Q CA 2.304 58.104 55.803 -0.004 0.000 0.851 399 Q CB -0.239 28.496 28.738 -0.004 0.000 0.921 399 Q HN 0.504 nan 8.270 nan 0.000 0.418 400 I N -0.118 120.451 120.570 -0.002 0.000 2.584 400 I HA -0.153 4.017 4.170 -0.000 0.000 0.255 400 I C 2.416 178.534 176.117 0.002 0.000 1.145 400 I CA 0.626 61.925 61.300 -0.001 0.000 1.462 400 I CB -0.355 37.644 38.000 -0.001 0.000 1.102 400 I HN 0.285 nan 8.210 nan 0.000 0.433 401 E N 2.121 122.323 120.200 0.003 0.000 2.021 401 E HA -0.268 4.082 4.350 -0.000 0.000 0.200 401 E C 1.909 178.513 176.600 0.008 0.000 1.015 401 E CA 1.884 58.287 56.400 0.005 0.000 0.824 401 E CB -0.057 29.645 29.700 0.004 0.000 0.762 401 E HN 0.401 nan 8.360 nan 0.000 0.454 402 N N -0.111 118.591 118.700 0.005 0.000 2.309 402 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 402 N C 1.625 177.137 175.510 0.003 0.000 1.018 402 N CA 0.748 53.801 53.050 0.005 0.000 0.876 402 N CB 0.026 38.513 38.487 -0.000 0.000 0.972 402 N HN 0.122 nan 8.380 nan 0.000 0.434 403 K N 0.955 121.355 120.400 0.001 0.000 2.137 403 K HA 0.152 4.472 4.320 -0.000 0.000 0.202 403 K C 1.879 178.484 176.600 0.009 0.000 1.052 403 K CA 0.327 56.612 56.287 -0.002 0.000 0.961 403 K CB -0.067 32.429 32.500 -0.007 0.000 0.741 403 K HN 0.062 nan 8.250 nan 0.000 0.452 404 A N 0.893 123.720 122.820 0.012 0.000 1.898 404 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 404 A C 2.072 179.680 177.584 0.040 0.000 1.183 404 A CA 0.850 52.900 52.037 0.020 0.000 0.622 404 A CB -0.392 18.616 19.000 0.013 0.000 0.824 404 A HN 0.108 nan 8.150 nan 0.000 0.444 405 L N -0.113 121.130 121.223 0.034 0.000 2.127 405 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 405 L C 2.587 179.495 176.870 0.064 0.000 1.089 405 L CA 1.724 56.589 54.840 0.042 0.000 0.757 405 L CB -0.534 41.541 42.059 0.027 0.000 0.899 405 L HN 0.345 nan 8.230 nan 0.000 0.434 406 R N -1.523 119.013 120.500 0.059 0.000 2.112 406 R HA -0.055 4.285 4.340 -0.000 0.000 0.216 406 R C 2.146 178.526 176.300 0.135 0.000 1.080 406 R CA 0.437 56.585 56.100 0.080 0.000 0.996 406 R CB -0.115 30.193 30.300 0.014 0.000 0.902 406 R HN 0.041 nan 8.270 nan 0.000 0.449 407 K N 0.720 121.184 120.400 0.106 0.000 2.097 407 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 407 K C 1.859 178.631 176.600 0.288 0.000 1.049 407 K CA 0.903 57.276 56.287 0.145 0.000 0.933 407 K CB -0.196 32.338 32.500 0.057 0.000 0.717 407 K HN 0.021 nan 8.250 nan 0.000 0.442 408 L N 1.098 122.470 121.223 0.248 0.000 2.046 408 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 408 L C 2.105 179.091 176.870 0.193 0.000 1.077 408 L CA 1.929 56.977 54.840 0.347 0.000 0.747 408 L CB -0.920 41.244 42.059 0.175 0.000 0.896 408 L HN 0.346 nan 8.230 nan 0.000 0.432 409 K N -1.703 118.783 120.400 0.144 0.000 2.076 409 K HA -0.199 4.122 4.320 -0.000 0.000 0.204 409 K C 2.131 178.780 176.600 0.081 0.000 1.051 409 K CA 1.242 57.573 56.287 0.073 0.000 0.949 409 K CB -0.615 31.951 32.500 0.110 0.000 0.726 409 K HN 0.002 nan 8.250 nan 0.000 0.443 410 Y N 2.138 122.464 120.300 0.043 0.000 2.439 410 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 410 Y C 2.439 178.377 175.900 0.063 0.000 1.130 410 Y CA 1.343 59.469 58.100 0.043 0.000 1.254 410 Y CB -0.047 38.444 38.460 0.052 0.000 1.000 410 Y HN 0.406 nan 8.280 nan 0.000 0.554 411 H N -2.168 116.950 119.070 0.080 0.000 2.525 411 H HA 0.062 4.618 4.556 -0.000 0.000 0.275 411 H C 1.116 176.433 175.328 -0.018 0.000 0.984 411 H CA 1.010 57.074 56.048 0.026 0.000 1.264 411 H CB 0.061 29.845 29.762 0.036 0.000 1.432 411 H HN 0.188 nan 8.280 nan 0.000 0.549 412 E N 1.149 121.004 120.200 -0.576 0.000 2.427 412 E HA 0.008 4.358 4.350 -0.000 0.000 0.196 412 E C 1.860 178.312 176.600 -0.247 0.000 1.028 412 E CA 0.291 56.416 56.400 -0.458 0.000 0.864 412 E CB 0.285 29.754 29.700 -0.386 0.000 0.813 412 E HN 0.466 nan 8.360 nan 0.000 0.514 413 S N 0.389 115.948 115.700 -0.234 0.000 2.406 413 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 413 S C 1.786 176.275 174.600 -0.186 0.000 1.030 413 S CA 0.266 58.317 58.200 -0.249 0.000 0.958 413 S CB 0.303 63.218 63.200 -0.475 0.000 0.811 413 S HN 0.164 nan 8.310 nan 0.000 0.489 414 R N 1.702 122.117 120.500 -0.142 0.000 2.078 414 R HA 0.039 4.379 4.340 -0.000 0.000 0.224 414 R C 0.740 177.004 176.300 -0.060 0.000 1.149 414 R CA 1.086 57.143 56.100 -0.072 0.000 0.916 414 R CB -1.613 28.684 30.300 -0.005 0.000 0.821 414 R HN 0.229 nan 8.270 nan 0.000 0.434 415 T N 3.979 118.499 114.554 -0.056 0.000 3.455 415 T HA 0.141 4.491 4.350 -0.000 0.000 0.286 415 T C 0.238 174.889 174.700 -0.081 0.000 1.157 415 T CA -0.225 61.846 62.100 -0.049 0.000 1.090 415 T CB 0.037 68.892 68.868 -0.022 0.000 1.112 415 T HN -0.044 nan 8.240 nan 0.000 0.779 416 R N 3.162 123.620 120.500 -0.071 0.000 2.543 416 R HA 0.084 4.424 4.340 -0.000 0.000 0.348 416 R C 0.968 177.234 176.300 -0.057 0.000 0.981 416 R CA 0.381 56.438 56.100 -0.071 0.000 1.019 416 R CB 0.011 30.281 30.300 -0.051 0.000 0.944 416 R HN 0.640 nan 8.270 nan 0.000 0.425 417 K N 1.324 121.680 120.400 -0.073 0.000 2.424 417 K HA 0.080 4.400 4.320 -0.000 0.000 0.200 417 K C 1.374 177.936 176.600 -0.065 0.000 1.279 417 K CA 0.024 56.276 56.287 -0.058 0.000 0.918 417 K CB 0.253 32.717 32.500 -0.060 0.000 1.287 417 K HN 0.076 nan 8.250 nan 0.000 0.502 418 L N 1.625 122.792 121.223 -0.095 0.000 2.162 418 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 418 L C 2.319 179.115 176.870 -0.123 0.000 1.086 418 L CA 1.305 56.073 54.840 -0.121 0.000 0.778 418 L CB -0.658 41.309 42.059 -0.153 0.000 0.928 418 L HN 0.093 nan 8.230 nan 0.000 0.446 419 R N 0.643 121.094 120.500 -0.081 0.000 2.191 419 R HA -0.244 4.096 4.340 -0.000 0.000 0.248 419 R C 0.586 176.952 176.300 0.110 0.000 1.127 419 R CA 1.955 58.056 56.100 0.002 0.000 0.943 419 R CB -1.124 29.180 30.300 0.007 0.000 0.891 419 R HN 0.170 nan 8.270 nan 0.000 0.439 420 D N 0.915 121.358 120.400 0.072 0.000 2.380 420 D HA -0.043 4.597 4.640 -0.000 0.000 0.270 420 D C -0.740 175.645 176.300 0.141 0.000 1.363 420 D CA 0.222 54.292 54.000 0.117 0.000 1.057 420 D CB -0.420 40.413 40.800 0.054 0.000 1.096 420 D HN 0.110 nan 8.370 nan 0.000 0.524 421 F N 2.916 122.855 119.950 -0.018 0.000 2.433 421 F HA -0.137 4.390 4.527 -0.000 0.000 0.398 421 F C 1.696 177.489 175.800 -0.012 0.000 1.002 421 F CA 0.122 58.114 58.000 -0.015 0.000 1.053 421 F CB 0.096 39.089 39.000 -0.012 0.000 0.928 421 F HN 0.333 nan 8.300 nan 0.000 0.529 422 L N 1.918 123.156 121.223 0.025 0.000 2.642 422 L HA -0.071 4.269 4.340 -0.000 0.000 0.236 422 L C 0.792 177.695 176.870 0.054 0.000 1.169 422 L CA 0.855 55.709 54.840 0.022 0.000 0.851 422 L CB -0.506 41.536 42.059 -0.028 0.000 0.968 422 L HN 0.579 nan 8.230 nan 0.000 0.453 423 D N 0.000 120.471 120.400 0.118 0.000 6.856 423 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 423 D CA 0.000 54.082 54.000 0.136 0.000 0.868 423 D CB 0.000 40.853 40.800 0.088 0.000 0.688 423 D HN 0.000 nan 8.370 nan 0.000 0.683