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_F 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 0.000 176.589 176.600 -0.019 0.000 0.988 74 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 74 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 75 I N 1.641 122.197 120.570 -0.024 0.000 2.336 75 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 75 I C 1.425 177.518 176.117 -0.041 0.000 0.991 75 I CA 0.339 61.623 61.300 -0.027 0.000 1.227 75 I CB 1.724 39.708 38.000 -0.026 0.000 1.366 75 I HN 0.465 nan 8.210 nan 0.000 0.466 76 S N 3.038 118.714 115.700 -0.040 0.000 2.399 76 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 76 S C 1.774 176.328 174.600 -0.078 0.000 1.022 76 S CA 2.261 60.431 58.200 -0.051 0.000 0.983 76 S CB -0.059 63.121 63.200 -0.033 0.000 0.803 76 S HN 0.818 nan 8.310 nan 0.000 0.480 77 T N 2.073 116.570 114.554 -0.094 0.000 2.643 77 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 77 T C 2.254 176.864 174.700 -0.150 0.000 1.045 77 T CA 1.822 63.829 62.100 -0.154 0.000 1.155 77 T CB -0.913 67.832 68.868 -0.205 0.000 0.863 77 T HN 0.729 nan 8.240 nan 0.000 0.420 78 S N 2.244 117.871 115.700 -0.120 0.000 2.378 78 S HA -0.300 4.170 4.470 -0.000 0.000 0.229 78 S C 1.871 176.404 174.600 -0.111 0.000 1.052 78 S CA 1.724 59.861 58.200 -0.105 0.000 1.084 78 S CB -0.987 62.168 63.200 -0.075 0.000 0.950 78 S HN 0.466 nan 8.310 nan 0.000 0.440 79 D N 2.715 123.055 120.400 -0.101 0.000 2.108 79 D HA -0.037 4.603 4.640 -0.000 0.000 0.190 79 D C -0.630 175.566 176.300 -0.174 0.000 0.995 79 D CA 1.485 55.421 54.000 -0.105 0.000 0.834 79 D CB -1.453 39.296 40.800 -0.084 0.000 0.967 79 D HN 0.252 nan 8.370 nan 0.000 0.446 80 P HA -0.113 nan 4.420 nan 0.000 0.215 80 P C 1.915 178.953 177.300 -0.437 0.000 1.157 80 P CA 1.066 63.903 63.100 -0.438 0.000 0.868 80 P CB -0.019 31.496 31.700 -0.308 0.000 0.788 81 V N 0.049 119.864 119.914 -0.164 0.000 2.231 81 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 81 V C 2.568 178.610 176.094 -0.086 0.000 1.058 81 V CA 2.204 64.484 62.300 -0.033 0.000 1.022 81 V CB -1.124 30.652 31.823 -0.078 0.000 0.640 81 V HN 0.061 nan 8.190 nan 0.000 0.445 82 R N -0.796 119.605 120.500 -0.164 0.000 2.096 82 R HA -0.213 4.127 4.340 -0.000 0.000 0.240 82 R C 2.573 178.773 176.300 -0.168 0.000 1.139 82 R CA 1.866 57.811 56.100 -0.259 0.000 0.952 82 R CB -0.336 29.852 30.300 -0.186 0.000 0.854 82 R HN 0.556 nan 8.270 nan 0.000 0.436 83 Q N -0.525 119.183 119.800 -0.153 0.000 2.014 83 Q HA -0.231 4.109 4.340 -0.000 0.000 0.207 83 Q C 1.990 177.951 176.000 -0.066 0.000 0.993 83 Q CA 2.316 58.031 55.803 -0.145 0.000 0.850 83 Q CB -0.235 28.286 28.738 -0.363 0.000 0.916 83 Q HN 0.530 nan 8.270 nan 0.000 0.417 84 Y N -0.284 120.030 120.300 0.023 0.000 2.314 84 Y HA -0.016 4.534 4.550 -0.000 0.000 0.294 84 Y C 2.282 178.200 175.900 0.030 0.000 1.119 84 Y CA 0.196 58.315 58.100 0.032 0.000 1.179 84 Y CB -0.526 37.948 38.460 0.024 0.000 1.025 84 Y HN -0.003 nan 8.280 nan 0.000 0.541 85 L N -0.362 120.973 121.223 0.186 0.000 2.079 85 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 85 L C 2.452 179.366 176.870 0.073 0.000 1.081 85 L CA 1.409 56.297 54.840 0.080 0.000 0.752 85 L CB -0.666 41.383 42.059 -0.018 0.000 0.896 85 L HN 0.390 nan 8.230 nan 0.000 0.433 86 H N 0.075 119.177 119.070 0.053 0.000 2.321 86 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 86 H C 2.214 177.568 175.328 0.043 0.000 1.087 86 H CA 1.511 57.578 56.048 0.032 0.000 1.319 86 H CB 0.075 29.842 29.762 0.008 0.000 1.379 86 H HN 0.297 nan 8.280 nan 0.000 0.501 87 E N 0.040 120.358 120.200 0.197 0.000 2.152 87 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 87 E C 2.341 179.013 176.600 0.120 0.000 0.983 87 E CA 0.514 56.996 56.400 0.137 0.000 0.818 87 E CB -0.066 29.715 29.700 0.136 0.000 0.758 87 E HN 0.426 nan 8.360 nan 0.000 0.467 88 I N -0.315 120.329 120.570 0.123 0.000 2.353 88 I HA -0.102 4.068 4.170 -0.000 0.000 0.248 88 I C 2.355 178.519 176.117 0.078 0.000 1.119 88 I CA 1.064 62.419 61.300 0.091 0.000 1.417 88 I CB -0.445 37.604 38.000 0.081 0.000 1.078 88 I HN 0.140 nan 8.210 nan 0.000 0.421 89 G N -0.050 108.805 108.800 0.092 0.000 2.450 89 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 89 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 89 G C 1.656 176.600 174.900 0.073 0.000 1.130 89 G CA 0.499 45.650 45.100 0.085 0.000 0.760 89 G HN 0.402 nan 8.290 nan 0.000 0.557 90 Q N -0.888 118.958 119.800 0.076 0.000 2.402 90 Q HA 0.154 4.494 4.340 -0.000 0.000 0.206 90 Q C 0.069 176.096 176.000 0.046 0.000 0.919 90 Q CA 0.379 56.214 55.803 0.054 0.000 0.923 90 Q CB 1.010 29.777 28.738 0.049 0.000 1.048 90 Q HN 0.398 nan 8.270 nan 0.000 0.515 91 V N 0.773 120.718 119.914 0.053 0.000 2.666 91 V HA 0.286 4.406 4.120 -0.000 0.000 0.269 91 V C -2.694 173.420 176.094 0.033 0.000 0.926 91 V CA -1.562 60.761 62.300 0.037 0.000 1.035 91 V CB 0.377 32.230 31.823 0.050 0.000 1.099 91 V HN -0.015 nan 8.190 nan 0.000 0.519 92 P HA 0.408 nan 4.420 nan 0.000 0.276 92 P C -0.286 177.021 177.300 0.011 0.000 1.252 92 P CA -0.308 62.808 63.100 0.028 0.000 0.802 92 P CB 1.127 32.844 31.700 0.029 0.000 1.035 93 L N 1.470 122.700 121.223 0.012 0.000 2.312 93 L HA 0.257 4.597 4.340 -0.000 0.000 0.281 93 L C 0.643 177.516 176.870 0.005 0.000 1.070 93 L CA -1.070 53.767 54.840 -0.004 0.000 0.805 93 L CB 0.654 42.710 42.059 -0.005 0.000 1.174 93 L HN 0.282 nan 8.230 nan 0.000 0.434 94 L N 2.653 123.874 121.223 -0.003 0.000 2.499 94 L HA -0.017 4.323 4.340 -0.000 0.000 0.281 94 L C 1.557 178.437 176.870 0.017 0.000 1.234 94 L CA 0.897 55.740 54.840 0.006 0.000 0.839 94 L CB 0.944 43.004 42.059 0.001 0.000 1.104 94 L HN 0.702 nan 8.230 nan 0.000 0.500 95 T N 3.631 118.199 114.554 0.024 0.000 2.597 95 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 95 T C 1.466 176.191 174.700 0.041 0.000 1.053 95 T CA 2.607 64.728 62.100 0.034 0.000 1.165 95 T CB -0.338 68.550 68.868 0.034 0.000 0.863 95 T HN 0.578 nan 8.240 nan 0.000 0.427 96 L N -0.414 120.830 121.223 0.036 0.000 2.379 96 L HA 0.271 4.611 4.340 -0.000 0.000 0.190 96 L C 2.627 179.518 176.870 0.036 0.000 1.111 96 L CA -0.042 54.825 54.840 0.045 0.000 0.820 96 L CB -0.765 41.320 42.059 0.043 0.000 1.046 96 L HN -0.126 nan 8.230 nan 0.000 0.485 97 E N 1.721 121.933 120.200 0.021 0.000 2.012 97 E HA -0.283 4.067 4.350 -0.000 0.000 0.211 97 E C 1.974 178.570 176.600 -0.006 0.000 1.029 97 E CA 1.955 58.360 56.400 0.008 0.000 0.867 97 E CB -0.651 29.049 29.700 -0.000 0.000 0.790 97 E HN 0.482 nan 8.360 nan 0.000 0.482 98 E N 0.678 120.866 120.200 -0.019 0.000 2.097 98 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 98 E C 2.174 178.749 176.600 -0.043 0.000 1.000 98 E CA 1.441 57.815 56.400 -0.043 0.000 0.804 98 E CB -0.121 29.548 29.700 -0.051 0.000 0.740 98 E HN 0.348 nan 8.360 nan 0.000 0.454 99 E N -0.038 120.152 120.200 -0.018 0.000 2.150 99 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 99 E C 2.147 178.748 176.600 0.000 0.000 0.985 99 E CA 0.697 57.085 56.400 -0.020 0.000 0.814 99 E CB 0.160 29.869 29.700 0.015 0.000 0.752 99 E HN 0.066 nan 8.360 nan 0.000 0.466 100 V N 1.119 121.050 119.914 0.029 0.000 2.237 100 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 100 V C 2.234 178.303 176.094 -0.042 0.000 1.046 100 V CA 2.110 64.440 62.300 0.050 0.000 1.007 100 V CB -0.419 31.448 31.823 0.072 0.000 0.638 100 V HN 0.244 nan 8.190 nan 0.000 0.445 101 E N 0.004 120.175 120.200 -0.047 0.000 2.045 101 E HA -0.278 4.072 4.350 -0.000 0.000 0.212 101 E C 2.124 178.659 176.600 -0.110 0.000 1.039 101 E CA 2.354 58.708 56.400 -0.078 0.000 0.860 101 E CB -0.384 29.278 29.700 -0.064 0.000 0.776 101 E HN 0.488 nan 8.360 nan 0.000 0.467 102 L N 0.066 121.231 121.223 -0.096 0.000 2.013 102 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 102 L C 2.612 179.406 176.870 -0.126 0.000 1.073 102 L CA 1.341 56.123 54.840 -0.098 0.000 0.753 102 L CB -0.723 41.280 42.059 -0.093 0.000 0.890 102 L HN 0.299 nan 8.230 nan 0.000 0.432 103 A N -0.095 122.648 122.820 -0.128 0.000 1.873 103 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 103 A C 2.429 179.821 177.584 -0.320 0.000 1.193 103 A CA 2.151 54.109 52.037 -0.131 0.000 0.629 103 A CB -0.725 18.284 19.000 0.015 0.000 0.826 103 A HN 0.338 nan 8.150 nan 0.000 0.447 104 R N -0.364 119.840 120.500 -0.493 0.000 2.103 104 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 104 R C 2.240 178.330 176.300 -0.351 0.000 1.142 104 R CA 2.028 57.724 56.100 -0.674 0.000 0.960 104 R CB -0.235 29.775 30.300 -0.484 0.000 0.858 104 R HN 0.572 nan 8.270 nan 0.000 0.439 105 K N -0.402 119.867 120.400 -0.218 0.000 2.097 105 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 105 K C 2.011 178.546 176.600 -0.108 0.000 1.050 105 K CA 1.327 57.533 56.287 -0.134 0.000 0.938 105 K CB 0.026 32.473 32.500 -0.089 0.000 0.718 105 K HN 0.054 nan 8.250 nan 0.000 0.442 106 V N 1.930 121.777 119.914 -0.111 0.000 2.295 106 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 106 V C 2.241 178.298 176.094 -0.060 0.000 1.049 106 V CA 1.705 63.962 62.300 -0.071 0.000 1.024 106 V CB -0.366 31.419 31.823 -0.063 0.000 0.648 106 V HN 0.300 nan 8.190 nan 0.000 0.447 107 E N -0.092 120.051 120.200 -0.094 0.000 2.077 107 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 107 E C 2.285 178.860 176.600 -0.041 0.000 0.989 107 E CA 1.357 57.724 56.400 -0.056 0.000 0.800 107 E CB -0.138 29.521 29.700 -0.068 0.000 0.746 107 E HN 0.578 nan 8.360 nan 0.000 0.452 108 E N 0.444 120.597 120.200 -0.079 0.000 2.153 108 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 108 E C 1.938 178.518 176.600 -0.034 0.000 0.988 108 E CA 1.273 57.634 56.400 -0.064 0.000 0.811 108 E CB -0.626 29.012 29.700 -0.103 0.000 0.746 108 E HN 0.270 nan 8.360 nan 0.000 0.466 109 G N 0.786 109.569 108.800 -0.029 0.000 2.433 109 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 109 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 109 G C 1.652 176.568 174.900 0.027 0.000 1.186 109 G CA 1.065 46.164 45.100 -0.000 0.000 0.779 109 G HN 0.361 nan 8.290 nan 0.000 0.543 110 M N 0.201 119.812 119.600 0.019 0.000 2.115 110 M HA -0.129 4.351 4.480 -0.000 0.000 0.258 110 M C 2.535 178.870 176.300 0.058 0.000 1.071 110 M CA 2.132 57.452 55.300 0.033 0.000 1.100 110 M CB -0.349 32.266 32.600 0.025 0.000 1.292 110 M HN 0.268 nan 8.290 nan 0.000 0.415 111 E N -0.091 120.147 120.200 0.062 0.000 2.171 111 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 111 E C 1.854 178.572 176.600 0.196 0.000 0.997 111 E CA 1.357 57.820 56.400 0.104 0.000 0.810 111 E CB -0.190 29.562 29.700 0.087 0.000 0.738 111 E HN 0.676 nan 8.360 nan 0.000 0.467 112 A N 1.321 124.252 122.820 0.185 0.000 1.840 112 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 112 A C 2.178 179.904 177.584 0.235 0.000 1.198 112 A CA 0.932 53.176 52.037 0.344 0.000 0.608 112 A CB -0.619 18.483 19.000 0.170 0.000 0.839 112 A HN 0.122 nan 8.150 nan 0.000 0.443 113 I N -0.148 120.496 120.570 0.123 0.000 2.151 113 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 113 I C 2.508 178.658 176.117 0.055 0.000 1.080 113 I CA 1.947 63.291 61.300 0.073 0.000 1.339 113 I CB -0.425 37.602 38.000 0.045 0.000 1.039 113 I HN 0.352 nan 8.210 nan 0.000 0.409 114 K N 0.712 121.148 120.400 0.059 0.000 2.002 114 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 114 K C 2.122 178.731 176.600 0.015 0.000 1.048 114 K CA 1.149 57.458 56.287 0.036 0.000 0.930 114 K CB -0.172 32.353 32.500 0.042 0.000 0.714 114 K HN 0.204 nan 8.250 nan 0.000 0.438 115 K N 1.087 121.499 120.400 0.019 0.000 2.209 115 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 115 K C 2.154 178.682 176.600 -0.119 0.000 1.048 115 K CA 1.033 57.264 56.287 -0.094 0.000 0.940 115 K CB -0.268 32.071 32.500 -0.268 0.000 0.729 115 K HN 0.209 nan 8.250 nan 0.000 0.451 116 L N 1.110 122.305 121.223 -0.048 0.000 2.056 116 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 116 L C 2.436 179.285 176.870 -0.035 0.000 1.078 116 L CA 1.340 56.159 54.840 -0.035 0.000 0.749 116 L CB -0.652 41.418 42.059 0.018 0.000 0.901 116 L HN 0.128 nan 8.230 nan 0.000 0.433 117 S N -0.662 115.027 115.700 -0.019 0.000 2.399 117 S HA -0.236 4.234 4.470 -0.000 0.000 0.231 117 S C 1.781 176.365 174.600 -0.026 0.000 1.022 117 S CA 1.274 59.463 58.200 -0.018 0.000 0.983 117 S CB -0.342 62.854 63.200 -0.006 0.000 0.803 117 S HN 0.425 nan 8.310 nan 0.000 0.480 118 E N 1.145 121.325 120.200 -0.032 0.000 2.051 118 E HA -0.096 4.253 4.350 -0.000 0.000 0.192 118 E C 1.732 178.308 176.600 -0.040 0.000 0.991 118 E CA 1.332 57.711 56.400 -0.034 0.000 0.799 118 E CB -0.167 29.508 29.700 -0.042 0.000 0.748 118 E HN 0.644 nan 8.360 nan 0.000 0.449 119 I N -0.222 120.315 120.570 -0.055 0.000 3.030 119 I HA -0.069 4.101 4.170 -0.000 0.000 0.270 119 I C 1.712 177.779 176.117 -0.083 0.000 1.211 119 I CA 0.674 61.935 61.300 -0.066 0.000 1.479 119 I CB 0.269 38.221 38.000 -0.079 0.000 1.105 119 I HN 0.012 nan 8.210 nan 0.000 0.447 120 T N -0.349 114.164 114.554 -0.069 0.000 3.037 120 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 120 T C 1.697 176.371 174.700 -0.043 0.000 1.073 120 T CA 0.612 62.675 62.100 -0.063 0.000 1.091 120 T CB 0.450 69.285 68.868 -0.055 0.000 0.935 120 T HN 0.489 nan 8.240 nan 0.000 0.488 121 G N 1.259 110.038 108.800 -0.035 0.000 2.162 121 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 121 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 121 G C -0.109 174.778 174.900 -0.020 0.000 0.976 121 G CA -0.122 44.964 45.100 -0.025 0.000 0.655 121 G HN 0.443 nan 8.290 nan 0.000 0.533 122 L N 1.366 122.576 121.223 -0.022 0.000 2.334 122 L HA 0.493 4.833 4.340 -0.000 0.000 0.277 122 L C 0.256 177.119 176.870 -0.011 0.000 1.075 122 L CA -0.440 54.391 54.840 -0.017 0.000 0.804 122 L CB 0.993 43.041 42.059 -0.019 0.000 1.174 122 L HN 0.198 nan 8.230 nan 0.000 0.438 123 D N 4.360 124.756 120.400 -0.008 0.000 2.455 123 D HA 0.053 4.693 4.640 -0.000 0.000 0.241 123 D C -1.692 174.607 176.300 -0.001 0.000 1.138 123 D CA -0.686 53.312 54.000 -0.003 0.000 0.877 123 D CB 0.344 41.143 40.800 -0.002 0.000 1.187 123 D HN 0.358 nan 8.370 nan 0.000 0.451 124 P HA -0.178 nan 4.420 nan 0.000 0.222 124 P C 0.606 177.910 177.300 0.007 0.000 1.142 124 P CA 0.947 64.052 63.100 0.007 0.000 0.788 124 P CB 0.129 31.835 31.700 0.011 0.000 0.767 125 D N -1.113 119.290 120.400 0.005 0.000 2.149 125 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 125 D C 1.689 177.990 176.300 0.002 0.000 0.972 125 D CA 0.966 54.968 54.000 0.004 0.000 0.835 125 D CB -0.814 39.988 40.800 0.004 0.000 0.966 125 D HN 0.131 nan 8.370 nan 0.000 0.476 126 L N 1.062 122.285 121.223 -0.000 0.000 2.044 126 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 126 L C 2.671 179.540 176.870 -0.003 0.000 1.075 126 L CA 0.886 55.724 54.840 -0.003 0.000 0.747 126 L CB -0.656 41.399 42.059 -0.006 0.000 0.903 126 L HN 0.009 nan 8.230 nan 0.000 0.435 127 I N -0.842 119.727 120.570 -0.002 0.000 2.335 127 I HA -0.310 3.860 4.170 -0.000 0.000 0.251 127 I C 2.697 178.817 176.117 0.003 0.000 1.129 127 I CA 1.135 62.436 61.300 0.000 0.000 1.402 127 I CB -0.409 37.594 38.000 0.004 0.000 1.069 127 I HN 0.320 nan 8.210 nan 0.000 0.424 128 R N 0.711 121.214 120.500 0.005 0.000 2.090 128 R HA -0.123 4.217 4.340 -0.000 0.000 0.228 128 R C 2.169 178.471 176.300 0.002 0.000 1.110 128 R CA 1.025 57.128 56.100 0.005 0.000 0.973 128 R CB 0.163 30.467 30.300 0.007 0.000 0.869 128 R HN 0.210 nan 8.270 nan 0.000 0.440 129 E N -0.059 120.142 120.200 0.001 0.000 2.158 129 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 129 E C 2.001 178.600 176.600 -0.001 0.000 0.982 129 E CA 0.805 57.205 56.400 0.000 0.000 0.823 129 E CB -0.035 29.665 29.700 -0.000 0.000 0.766 129 E HN 0.161 nan 8.360 nan 0.000 0.468 130 V N 0.697 120.609 119.914 -0.003 0.000 2.358 130 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 130 V C 2.477 178.567 176.094 -0.007 0.000 1.047 130 V CA 1.101 63.398 62.300 -0.006 0.000 1.035 130 V CB -0.522 31.296 31.823 -0.009 0.000 0.658 130 V HN 0.055 nan 8.190 nan 0.000 0.452 131 V N -0.238 119.673 119.914 -0.006 0.000 2.515 131 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 131 V C 2.742 178.833 176.094 -0.005 0.000 1.058 131 V CA 1.557 63.854 62.300 -0.006 0.000 1.064 131 V CB -0.725 31.097 31.823 -0.002 0.000 0.675 131 V HN 0.433 nan 8.190 nan 0.000 0.461 132 R N 0.310 120.808 120.500 -0.004 0.000 2.070 132 R HA -0.088 4.252 4.340 -0.000 0.000 0.233 132 R C 2.462 178.760 176.300 -0.004 0.000 1.137 132 R CA 1.649 57.747 56.100 -0.004 0.000 0.945 132 R CB -1.139 29.160 30.300 -0.002 0.000 0.845 132 R HN 0.513 nan 8.270 nan 0.000 0.430 133 A N 1.891 124.710 122.820 -0.002 0.000 1.873 133 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 133 A C 2.068 179.650 177.584 -0.003 0.000 1.193 133 A CA 1.655 53.692 52.037 -0.001 0.000 0.629 133 A CB -0.322 18.679 19.000 0.001 0.000 0.826 133 A HN 0.112 nan 8.150 nan 0.000 0.447 134 K N -0.787 119.610 120.400 -0.006 0.000 2.211 134 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 134 K C 1.712 178.307 176.600 -0.007 0.000 1.050 134 K CA 0.756 57.039 56.287 -0.007 0.000 0.945 134 K CB -0.350 32.144 32.500 -0.011 0.000 0.732 134 K HN 0.528 nan 8.250 nan 0.000 0.451 135 I N 0.930 121.494 120.570 -0.009 0.000 2.927 135 I HA -0.084 4.086 4.170 -0.000 0.000 0.268 135 I C 1.475 177.581 176.117 -0.018 0.000 1.153 135 I CA 0.651 61.943 61.300 -0.013 0.000 1.459 135 I CB -0.063 37.930 38.000 -0.012 0.000 1.149 135 I HN -0.060 nan 8.210 nan 0.000 0.443 136 L N -0.597 120.617 121.223 -0.015 0.000 2.298 136 L HA 0.546 4.886 4.340 -0.000 0.000 0.209 136 L C 0.835 177.699 176.870 -0.011 0.000 1.084 136 L CA 0.615 55.445 54.840 -0.016 0.000 0.816 136 L CB -1.245 40.807 42.059 -0.013 0.000 0.967 136 L HN 0.090 nan 8.230 nan 0.000 0.460 137 G N -1.264 107.533 108.800 -0.005 0.000 2.579 137 G HA2 0.505 4.465 3.960 -0.000 0.000 0.292 137 G HA3 0.505 4.465 3.960 -0.000 0.000 0.292 137 G C -1.103 173.798 174.900 0.002 0.000 1.484 137 G CA -0.072 45.027 45.100 -0.002 0.000 0.813 137 G HN 0.081 nan 8.290 nan 0.000 0.515 138 S N -0.392 115.309 115.700 0.003 0.000 2.602 138 S HA 0.461 4.931 4.470 -0.000 0.000 0.257 138 S C 2.253 176.861 174.600 0.014 0.000 1.250 138 S CA 0.290 58.493 58.200 0.005 0.000 0.986 138 S CB 0.711 63.911 63.200 0.001 0.000 1.040 138 S HN 1.535 nan 8.310 nan 0.000 0.562 139 A N 1.044 123.874 122.820 0.016 0.000 1.986 139 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 139 A C 2.096 179.709 177.584 0.049 0.000 1.171 139 A CA 2.014 54.071 52.037 0.033 0.000 0.640 139 A CB -0.869 18.148 19.000 0.028 0.000 0.811 139 A HN 0.811 nan 8.150 nan 0.000 0.451 140 R N -0.871 119.643 120.500 0.022 0.000 2.094 140 R HA -0.100 4.240 4.340 -0.000 0.000 0.239 140 R C 1.821 178.147 176.300 0.043 0.000 1.137 140 R CA 1.614 57.723 56.100 0.016 0.000 0.943 140 R CB -1.262 29.036 30.300 -0.003 0.000 0.850 140 R HN 0.272 nan 8.270 nan 0.000 0.433 141 V N 1.306 121.241 119.914 0.033 0.000 2.809 141 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 141 V C 2.164 178.284 176.094 0.042 0.000 1.080 141 V CA 1.292 63.612 62.300 0.033 0.000 1.102 141 V CB -0.361 31.473 31.823 0.018 0.000 0.705 141 V HN 0.322 nan 8.190 nan 0.000 0.475 142 R N -1.274 119.257 120.500 0.052 0.000 2.080 142 R HA -0.035 4.305 4.340 -0.000 0.000 0.222 142 R C 2.303 178.640 176.300 0.061 0.000 1.107 142 R CA 1.136 57.262 56.100 0.044 0.000 0.980 142 R CB -0.587 29.734 30.300 0.036 0.000 0.879 142 R HN 0.595 nan 8.270 nan 0.000 0.439 143 H N 1.444 120.514 119.070 -0.001 0.000 2.299 143 H HA -0.001 4.555 4.556 -0.000 0.000 0.302 143 H C 1.961 177.289 175.328 0.001 0.000 1.078 143 H CA 1.613 57.661 56.048 0.000 0.000 1.323 143 H CB 0.049 29.811 29.762 -0.000 0.000 1.381 143 H HN 0.074 nan 8.280 nan 0.000 0.498 144 I N 0.520 121.243 120.570 0.254 0.000 2.193 144 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 144 I C -0.271 175.889 176.117 0.073 0.000 1.084 144 I CA 0.550 61.955 61.300 0.176 0.000 1.365 144 I CB -1.266 36.799 38.000 0.108 0.000 1.064 144 I HN 0.260 nan 8.210 nan 0.000 0.410 145 P HA -0.104 nan 4.420 nan 0.000 0.211 145 P C 0.585 177.890 177.300 0.009 0.000 1.179 145 P CA 1.099 64.215 63.100 0.026 0.000 0.910 145 P CB -0.212 31.503 31.700 0.024 0.000 0.785 146 G N -0.689 108.110 108.800 -0.001 0.000 2.329 146 G HA2 0.341 4.301 3.960 -0.000 0.000 0.309 146 G HA3 0.341 4.301 3.960 -0.000 0.000 0.309 146 G C 0.651 175.517 174.900 -0.056 0.000 1.110 146 G CA -0.481 44.606 45.100 -0.020 0.000 0.923 146 G HN 0.035 nan 8.290 nan 0.000 0.430 147 L N 1.079 122.261 121.223 -0.069 0.000 2.021 147 L HA -0.056 4.284 4.340 -0.000 0.000 0.244 147 L C 1.421 178.162 176.870 -0.215 0.000 1.094 147 L CA 1.457 56.219 54.840 -0.130 0.000 0.842 147 L CB -0.131 41.875 42.059 -0.088 0.000 0.921 147 L HN 0.457 nan 8.230 nan 0.000 0.435 148 K N -0.700 119.608 120.400 -0.154 0.000 2.739 148 K HA 0.119 4.439 4.320 -0.000 0.000 0.288 148 K C -0.460 176.091 176.600 -0.082 0.000 1.142 148 K CA -0.067 56.127 56.287 -0.154 0.000 1.060 148 K CB 1.232 33.610 32.500 -0.203 0.000 1.338 148 K HN 0.137 nan 8.250 nan 0.000 0.514 149 E N 0.681 120.846 120.200 -0.058 0.000 2.505 149 E HA 0.027 4.377 4.350 -0.000 0.000 0.212 149 E C -0.347 176.238 176.600 -0.026 0.000 0.825 149 E CA 0.455 56.833 56.400 -0.036 0.000 1.333 149 E CB 1.254 30.937 29.700 -0.028 0.000 1.319 149 E HN 0.508 nan 8.360 nan 0.000 0.658 150 T N 1.826 116.364 114.554 -0.026 0.000 2.738 150 T HA 0.393 4.743 4.350 -0.000 0.000 0.298 150 T C 0.314 175.008 174.700 -0.010 0.000 0.962 150 T CA -0.417 61.674 62.100 -0.015 0.000 0.972 150 T CB -0.253 68.609 68.868 -0.010 0.000 0.928 150 T HN -0.034 nan 8.240 nan 0.000 0.474 151 L N 5.899 127.120 121.223 -0.004 0.000 2.628 151 L HA 0.013 4.353 4.340 -0.000 0.000 0.274 151 L C 1.693 178.574 176.870 0.017 0.000 1.209 151 L CA -0.364 54.480 54.840 0.007 0.000 0.930 151 L CB 0.267 42.330 42.059 0.006 0.000 1.183 151 L HN 0.732 nan 8.230 nan 0.000 0.492 152 D N 4.018 124.441 120.400 0.038 0.000 2.154 152 D HA -0.180 4.460 4.640 -0.000 0.000 0.190 152 D C -0.667 175.651 176.300 0.031 0.000 1.003 152 D CA 2.044 56.075 54.000 0.051 0.000 0.849 152 D CB -0.754 40.100 40.800 0.090 0.000 0.942 152 D HN 0.533 nan 8.370 nan 0.000 0.446 153 P HA 0.024 nan 4.420 nan 0.000 0.204 153 P C 1.510 178.814 177.300 0.008 0.000 1.144 153 P CA 0.806 63.915 63.100 0.014 0.000 0.901 153 P CB 0.183 31.890 31.700 0.012 0.000 0.746 154 K N 0.135 120.540 120.400 0.007 0.000 2.052 154 K HA -0.151 4.169 4.320 -0.000 0.000 0.215 154 K C 2.149 178.749 176.600 -0.000 0.000 1.053 154 K CA 2.668 58.956 56.287 0.003 0.000 0.934 154 K CB -1.488 31.014 32.500 0.003 0.000 0.717 154 K HN 0.041 nan 8.250 nan 0.000 0.450 155 T N 0.540 115.094 114.554 0.001 0.000 2.580 155 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 155 T C 1.810 176.508 174.700 -0.004 0.000 1.063 155 T CA 2.563 64.662 62.100 -0.003 0.000 1.170 155 T CB -0.650 68.216 68.868 -0.002 0.000 0.863 155 T HN 0.236 nan 8.240 nan 0.000 0.418 156 V N 0.787 120.700 119.914 -0.002 0.000 2.324 156 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 156 V C 2.373 178.463 176.094 -0.007 0.000 1.060 156 V CA 1.787 64.084 62.300 -0.004 0.000 1.042 156 V CB -0.823 30.999 31.823 -0.001 0.000 0.650 156 V HN 0.296 nan 8.190 nan 0.000 0.450 157 E N 0.673 120.869 120.200 -0.006 0.000 2.058 157 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 157 E C 2.272 178.865 176.600 -0.011 0.000 0.997 157 E CA 2.074 58.469 56.400 -0.008 0.000 0.801 157 E CB -0.337 29.360 29.700 -0.005 0.000 0.746 157 E HN 0.837 nan 8.360 nan 0.000 0.450 158 E N 0.314 120.508 120.200 -0.010 0.000 2.097 158 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 158 E C 2.246 178.835 176.600 -0.018 0.000 1.000 158 E CA 1.311 57.703 56.400 -0.013 0.000 0.804 158 E CB -0.271 29.422 29.700 -0.012 0.000 0.740 158 E HN 0.313 nan 8.360 nan 0.000 0.454 159 I N 1.495 122.055 120.570 -0.017 0.000 2.226 159 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 159 I C 1.751 177.853 176.117 -0.025 0.000 1.100 159 I CA 1.001 62.289 61.300 -0.021 0.000 1.374 159 I CB -0.354 37.636 38.000 -0.017 0.000 1.057 159 I HN 0.026 nan 8.210 nan 0.000 0.413 160 D N 0.665 121.051 120.400 -0.024 0.000 2.178 160 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 160 D C 2.157 178.438 176.300 -0.032 0.000 0.974 160 D CA 1.027 55.009 54.000 -0.030 0.000 0.841 160 D CB -0.196 40.589 40.800 -0.025 0.000 0.953 160 D HN 0.509 nan 8.370 nan 0.000 0.478 161 Q N 0.659 120.443 119.800 -0.026 0.000 2.079 161 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 161 Q C 2.084 178.065 176.000 -0.031 0.000 0.974 161 Q CA 0.973 56.761 55.803 -0.025 0.000 0.840 161 Q CB 0.108 28.834 28.738 -0.019 0.000 0.898 161 Q HN 0.217 nan 8.270 nan 0.000 0.430 162 K N 0.352 120.730 120.400 -0.037 0.000 2.147 162 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 162 K C 2.044 178.608 176.600 -0.060 0.000 1.049 162 K CA 0.783 57.040 56.287 -0.050 0.000 0.936 162 K CB -0.047 32.422 32.500 -0.052 0.000 0.722 162 K HN 0.193 nan 8.250 nan 0.000 0.446 163 L N 1.086 122.278 121.223 -0.051 0.000 2.083 163 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 163 L C 2.634 179.474 176.870 -0.050 0.000 1.083 163 L CA 1.219 56.028 54.840 -0.053 0.000 0.752 163 L CB -0.304 41.723 42.059 -0.054 0.000 0.899 163 L HN 0.168 nan 8.230 nan 0.000 0.433 164 K N -0.054 120.320 120.400 -0.044 0.000 2.031 164 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 164 K C 2.195 178.792 176.600 -0.005 0.000 1.049 164 K CA 1.538 57.809 56.287 -0.026 0.000 0.939 164 K CB 0.063 32.552 32.500 -0.019 0.000 0.717 164 K HN 0.176 nan 8.250 nan 0.000 0.438 165 S N 1.547 117.235 115.700 -0.021 0.000 2.402 165 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 165 S C 0.863 175.446 174.600 -0.027 0.000 1.030 165 S CA 0.562 58.748 58.200 -0.023 0.000 1.003 165 S CB -0.340 62.835 63.200 -0.042 0.000 0.813 165 S HN 0.274 nan 8.310 nan 0.000 0.477 166 L N 3.128 124.320 121.223 -0.052 0.000 2.700 166 L HA 0.044 4.384 4.340 -0.000 0.000 0.272 166 L C -2.116 174.843 176.870 0.147 0.000 1.176 166 L CA -1.178 53.628 54.840 -0.056 0.000 0.961 166 L CB -0.351 41.699 42.059 -0.016 0.000 1.249 166 L HN 0.037 nan 8.230 nan 0.000 0.487 167 P HA -0.024 nan 4.420 nan 0.000 0.278 167 P C 0.712 178.140 177.300 0.213 0.000 1.270 167 P CA -0.322 62.901 63.100 0.206 0.000 0.800 167 P CB 0.471 32.282 31.700 0.186 0.000 1.142 168 K N 0.263 120.740 120.400 0.129 0.000 2.117 168 K HA -0.296 4.024 4.320 -0.000 0.000 0.215 168 K C 1.700 178.358 176.600 0.097 0.000 1.053 168 K CA 2.294 58.639 56.287 0.097 0.000 0.935 168 K CB -0.606 31.926 32.500 0.054 0.000 0.719 168 K HN 0.506 nan 8.250 nan 0.000 0.460 169 E N -0.172 120.046 120.200 0.029 0.000 2.012 169 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 169 E C 2.058 178.693 176.600 0.059 0.000 1.007 169 E CA 1.659 58.025 56.400 -0.058 0.000 0.816 169 E CB -0.315 29.193 29.700 -0.320 0.000 0.762 169 E HN 0.591 nan 8.360 nan 0.000 0.451 170 H N -0.030 119.108 119.070 0.114 0.000 2.482 170 H HA 0.124 4.680 4.556 -0.000 0.000 0.286 170 H C 1.858 177.303 175.328 0.195 0.000 1.017 170 H CA 0.924 57.026 56.048 0.090 0.000 1.322 170 H CB 0.047 29.772 29.762 -0.062 0.000 1.426 170 H HN -0.047 nan 8.280 nan 0.000 0.546 171 K N 2.353 122.944 120.400 0.319 0.000 2.152 171 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 171 K C 2.312 179.111 176.600 0.331 0.000 1.048 171 K CA 0.965 57.398 56.287 0.244 0.000 0.933 171 K CB -0.225 32.418 32.500 0.239 0.000 0.721 171 K HN 0.102 nan 8.250 nan 0.000 0.447 172 R N -0.940 119.762 120.500 0.338 0.000 2.103 172 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 172 R C 1.846 178.252 176.300 0.176 0.000 1.142 172 R CA 1.953 58.199 56.100 0.243 0.000 0.960 172 R CB -0.374 30.002 30.300 0.126 0.000 0.858 172 R HN 0.308 nan 8.270 nan 0.000 0.439 173 Y N 0.541 120.897 120.300 0.093 0.000 2.242 173 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 173 Y C 2.225 178.151 175.900 0.043 0.000 1.137 173 Y CA 0.959 59.095 58.100 0.061 0.000 1.181 173 Y CB -0.395 38.099 38.460 0.057 0.000 0.989 173 Y HN 0.109 nan 8.280 nan 0.000 0.527 174 L N -0.389 120.946 121.223 0.188 0.000 1.955 174 L HA -0.300 4.040 4.340 -0.000 0.000 0.213 174 L C 2.386 179.255 176.870 -0.001 0.000 1.072 174 L CA 1.999 56.858 54.840 0.032 0.000 0.755 174 L CB -0.701 41.306 42.059 -0.087 0.000 0.888 174 L HN 0.351 nan 8.230 nan 0.000 0.432 175 H N -0.509 118.589 119.070 0.046 0.000 2.426 175 H HA -0.205 4.351 4.556 -0.000 0.000 0.298 175 H C 2.221 177.547 175.328 -0.003 0.000 1.107 175 H CA 1.964 58.023 56.048 0.017 0.000 1.298 175 H CB -0.022 29.747 29.762 0.011 0.000 1.377 175 H HN 0.362 nan 8.280 nan 0.000 0.519 176 I N 0.645 121.275 120.570 0.100 0.000 2.277 176 I HA -0.136 4.034 4.170 -0.000 0.000 0.243 176 I C 2.725 178.850 176.117 0.013 0.000 1.094 176 I CA 1.031 62.340 61.300 0.015 0.000 1.393 176 I CB -0.529 37.425 38.000 -0.076 0.000 1.078 176 I HN 0.134 nan 8.210 nan 0.000 0.417 177 A N 0.691 123.530 122.820 0.032 0.000 1.892 177 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 177 A C 2.447 180.040 177.584 0.015 0.000 1.188 177 A CA 1.905 53.959 52.037 0.028 0.000 0.631 177 A CB -0.657 18.369 19.000 0.043 0.000 0.822 177 A HN 0.341 nan 8.150 nan 0.000 0.447 178 R N -0.555 119.955 120.500 0.016 0.000 2.070 178 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 178 R C 1.996 178.304 176.300 0.013 0.000 1.137 178 R CA 1.406 57.512 56.100 0.011 0.000 0.945 178 R CB -0.623 29.684 30.300 0.012 0.000 0.845 178 R HN 0.573 nan 8.270 nan 0.000 0.430 179 E N 0.190 120.403 120.200 0.022 0.000 2.160 179 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 179 E C 2.094 178.696 176.600 0.004 0.000 0.991 179 E CA 1.392 57.802 56.400 0.018 0.000 0.810 179 E CB -0.326 29.385 29.700 0.018 0.000 0.742 179 E HN 0.528 nan 8.360 nan 0.000 0.466 180 G N 1.556 110.352 108.800 -0.006 0.000 2.404 180 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 180 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 180 G C 1.530 176.422 174.900 -0.013 0.000 1.174 180 G CA 0.453 45.541 45.100 -0.020 0.000 0.780 180 G HN 0.142 nan 8.290 nan 0.000 0.537 181 E N 1.163 121.359 120.200 -0.007 0.000 2.097 181 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 181 E C 2.840 179.433 176.600 -0.011 0.000 1.000 181 E CA 1.322 57.718 56.400 -0.008 0.000 0.804 181 E CB -0.555 29.142 29.700 -0.006 0.000 0.740 181 E HN 0.280 nan 8.360 nan 0.000 0.454 182 A N 1.225 124.042 122.820 -0.005 0.000 1.851 182 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 182 A C 2.517 180.119 177.584 0.029 0.000 1.195 182 A CA 2.803 54.835 52.037 -0.007 0.000 0.622 182 A CB -1.109 17.898 19.000 0.013 0.000 0.831 182 A HN 0.355 nan 8.150 nan 0.000 0.444 183 A N -0.229 122.624 122.820 0.054 0.000 1.903 183 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 183 A C 2.271 179.879 177.584 0.039 0.000 1.191 183 A CA 2.271 54.348 52.037 0.066 0.000 0.638 183 A CB -0.710 18.287 19.000 -0.004 0.000 0.823 183 A HN 0.601 nan 8.150 nan 0.000 0.451 184 R N -0.715 119.781 120.500 -0.006 0.000 2.148 184 R HA -0.236 4.104 4.340 -0.000 0.000 0.230 184 R C 2.318 178.608 176.300 -0.016 0.000 1.120 184 R CA 2.197 58.279 56.100 -0.031 0.000 0.902 184 R CB -0.722 29.561 30.300 -0.028 0.000 0.839 184 R HN 0.666 nan 8.270 nan 0.000 0.431 185 Q N -0.828 118.964 119.800 -0.014 0.000 2.217 185 Q HA -0.237 4.103 4.340 -0.000 0.000 0.209 185 Q C 2.126 178.124 176.000 -0.002 0.000 0.988 185 Q CA 1.609 57.399 55.803 -0.023 0.000 0.878 185 Q CB -0.242 28.463 28.738 -0.054 0.000 0.909 185 Q HN 0.527 nan 8.270 nan 0.000 0.424 186 H N 0.074 119.126 119.070 -0.031 0.000 2.333 186 H HA -0.017 4.539 4.556 -0.000 0.000 0.302 186 H C 2.057 177.362 175.328 -0.039 0.000 1.075 186 H CA 0.899 56.931 56.048 -0.026 0.000 1.348 186 H CB -0.236 29.508 29.762 -0.029 0.000 1.393 186 H HN 0.208 nan 8.280 nan 0.000 0.509 187 L N 0.194 121.455 121.223 0.064 0.000 2.046 187 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 187 L C 2.359 179.209 176.870 -0.032 0.000 1.077 187 L CA 0.830 55.644 54.840 -0.042 0.000 0.747 187 L CB -0.266 41.688 42.059 -0.175 0.000 0.896 187 L HN 0.187 nan 8.230 nan 0.000 0.432 188 I N -0.372 120.184 120.570 -0.024 0.000 2.194 188 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 188 I C 2.474 178.612 176.117 0.035 0.000 1.093 188 I CA 1.428 62.732 61.300 0.007 0.000 1.355 188 I CB -0.397 37.608 38.000 0.008 0.000 1.046 188 I HN 0.348 nan 8.210 nan 0.000 0.413 189 E N 0.963 121.194 120.200 0.053 0.000 2.038 189 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 189 E C 2.373 179.017 176.600 0.073 0.000 1.000 189 E CA 1.542 57.987 56.400 0.075 0.000 0.803 189 E CB -0.271 29.490 29.700 0.103 0.000 0.750 189 E HN 0.533 nan 8.360 nan 0.000 0.448 190 A N 1.788 124.653 122.820 0.074 0.000 1.940 190 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 190 A C 1.659 179.275 177.584 0.053 0.000 1.176 190 A CA 1.184 53.256 52.037 0.059 0.000 0.631 190 A CB -0.267 18.756 19.000 0.039 0.000 0.814 190 A HN 0.093 nan 8.150 nan 0.000 0.446 191 N N -0.200 118.536 118.700 0.059 0.000 2.575 191 N HA 0.257 4.997 4.740 -0.000 0.000 0.275 191 N C 0.534 176.063 175.510 0.032 0.000 1.202 191 N CA 0.065 53.163 53.050 0.081 0.000 0.945 191 N CB 0.490 39.088 38.487 0.185 0.000 1.247 191 N HN 0.504 nan 8.380 nan 0.000 0.510 192 L N -0.446 120.765 121.223 -0.020 0.000 2.463 192 L HA 0.187 4.527 4.340 -0.000 0.000 0.219 192 L C 2.288 179.069 176.870 -0.148 0.000 1.088 192 L CA 0.275 55.035 54.840 -0.133 0.000 0.849 192 L CB 0.237 42.154 42.059 -0.236 0.000 1.012 192 L HN 0.053 nan 8.230 nan 0.000 0.468 193 R N -0.461 120.005 120.500 -0.056 0.000 2.115 193 R HA -0.133 4.207 4.340 -0.000 0.000 0.226 193 R C 2.120 178.407 176.300 -0.022 0.000 1.100 193 R CA 0.934 57.018 56.100 -0.026 0.000 0.980 193 R CB -0.058 30.251 30.300 0.015 0.000 0.875 193 R HN 0.222 nan 8.270 nan 0.000 0.445 194 L N 0.527 121.742 121.223 -0.015 0.000 2.012 194 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 194 L C 2.053 178.896 176.870 -0.046 0.000 1.073 194 L CA 1.626 56.457 54.840 -0.015 0.000 0.748 194 L CB -0.829 41.235 42.059 0.008 0.000 0.891 194 L HN 0.116 nan 8.230 nan 0.000 0.431 195 V N -0.594 119.284 119.914 -0.061 0.000 2.220 195 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 195 V C 2.677 178.727 176.094 -0.073 0.000 1.049 195 V CA 1.760 64.009 62.300 -0.085 0.000 1.003 195 V CB -0.604 31.159 31.823 -0.100 0.000 0.634 195 V HN 0.274 nan 8.190 nan 0.000 0.444 196 V N 1.287 121.170 119.914 -0.050 0.000 2.324 196 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 196 V C 2.655 178.785 176.094 0.060 0.000 1.060 196 V CA 2.403 64.737 62.300 0.057 0.000 1.042 196 V CB -1.262 30.604 31.823 0.072 0.000 0.650 196 V HN 0.760 nan 8.190 nan 0.000 0.450 197 S N 0.240 115.949 115.700 0.014 0.000 2.368 197 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 197 S C 1.931 176.505 174.600 -0.044 0.000 1.030 197 S CA 1.724 59.928 58.200 0.007 0.000 0.999 197 S CB -0.614 62.586 63.200 0.000 0.000 0.844 197 S HN 0.545 nan 8.310 nan 0.000 0.459 198 I N 2.634 123.148 120.570 -0.094 0.000 2.090 198 I HA -0.157 4.013 4.170 -0.000 0.000 0.236 198 I C 3.108 179.071 176.117 -0.257 0.000 1.064 198 I CA 1.228 62.417 61.300 -0.185 0.000 1.324 198 I CB -0.892 36.969 38.000 -0.231 0.000 1.044 198 I HN 0.394 nan 8.210 nan 0.000 0.399 199 A N 0.651 123.327 122.820 -0.240 0.000 2.093 199 A HA -0.311 4.009 4.320 -0.000 0.000 0.222 199 A C 2.182 179.554 177.584 -0.354 0.000 1.162 199 A CA 2.155 54.033 52.037 -0.265 0.000 0.655 199 A CB -0.581 18.336 19.000 -0.138 0.000 0.805 199 A HN 0.322 nan 8.150 nan 0.000 0.461 200 K N 0.307 120.541 120.400 -0.277 0.000 2.147 200 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 200 K C 1.675 178.133 176.600 -0.237 0.000 1.049 200 K CA 2.001 58.087 56.287 -0.334 0.000 0.936 200 K CB -0.195 32.283 32.500 -0.036 0.000 0.722 200 K HN 0.554 nan 8.250 nan 0.000 0.446 201 K N -1.234 119.114 120.400 -0.086 0.000 2.314 201 K HA 0.004 4.324 4.320 -0.000 0.000 0.198 201 K C 0.247 176.949 176.600 0.170 0.000 1.045 201 K CA 0.375 56.691 56.287 0.048 0.000 0.988 201 K CB 0.187 32.756 32.500 0.115 0.000 0.783 201 K HN 0.057 nan 8.250 nan 0.000 0.484 202 Y N 1.496 121.682 120.300 -0.190 0.000 2.881 202 Y HA 0.118 4.668 4.550 -0.000 0.000 0.369 202 Y C 1.448 177.232 175.900 -0.193 0.000 1.066 202 Y CA -0.460 57.541 58.100 -0.165 0.000 1.616 202 Y CB -0.787 37.585 38.460 -0.147 0.000 1.436 202 Y HN -0.022 nan 8.280 nan 0.000 0.505 203 T N -0.687 113.816 114.554 -0.085 0.000 2.643 203 T HA -0.096 4.254 4.350 -0.000 0.000 0.256 203 T C 2.042 176.695 174.700 -0.078 0.000 1.061 203 T CA 1.582 63.585 62.100 -0.161 0.000 1.163 203 T CB -0.488 68.265 68.868 -0.191 0.000 0.865 203 T HN 0.568 nan 8.240 nan 0.000 0.407 204 G N 1.368 110.131 108.800 -0.062 0.000 3.262 204 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.222 204 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.222 204 G C 1.307 176.177 174.900 -0.050 0.000 1.269 204 G CA -0.229 44.845 45.100 -0.043 0.000 1.032 204 G HN 0.364 nan 8.290 nan 0.000 0.502 205 R N -0.262 120.205 120.500 -0.055 0.000 2.200 205 R HA 0.108 4.448 4.340 -0.000 0.000 0.208 205 R C 1.670 177.948 176.300 -0.037 0.000 1.033 205 R CA 0.795 56.859 56.100 -0.060 0.000 1.000 205 R CB 0.331 30.591 30.300 -0.067 0.000 0.906 205 R HN 0.430 nan 8.270 nan 0.000 0.462 206 G N 0.431 109.219 108.800 -0.021 0.000 2.155 206 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.130 206 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.130 206 G C -0.256 174.645 174.900 0.002 0.000 1.027 206 G CA -0.659 44.435 45.100 -0.010 0.000 0.705 206 G HN 0.077 nan 8.290 nan 0.000 0.496 207 L N 1.528 122.755 121.223 0.007 0.000 2.341 207 L HA 0.649 4.989 4.340 -0.000 0.000 0.267 207 L C 0.553 177.448 176.870 0.041 0.000 1.009 207 L CA -0.997 53.856 54.840 0.022 0.000 0.819 207 L CB 2.140 44.211 42.059 0.020 0.000 1.323 207 L HN 0.228 nan 8.230 nan 0.000 0.425 208 S N 0.982 116.720 115.700 0.063 0.000 2.531 208 S HA 0.091 4.561 4.470 -0.000 0.000 0.279 208 S C 0.862 175.564 174.600 0.170 0.000 1.305 208 S CA -0.475 57.790 58.200 0.107 0.000 1.058 208 S CB 0.592 63.847 63.200 0.091 0.000 0.899 208 S HN 0.604 nan 8.310 nan 0.000 0.493 209 F N 1.850 121.815 119.950 0.027 0.000 2.111 209 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 209 F C 1.791 177.611 175.800 0.034 0.000 1.088 209 F CA 1.475 59.493 58.000 0.030 0.000 1.243 209 F CB -0.046 38.972 39.000 0.031 0.000 0.996 209 F HN 0.545 nan 8.300 nan 0.000 0.483 210 L N -0.375 121.048 121.223 0.333 0.000 2.156 210 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 210 L C 1.901 178.869 176.870 0.163 0.000 1.095 210 L CA 1.023 55.990 54.840 0.213 0.000 0.770 210 L CB -0.564 41.565 42.059 0.116 0.000 0.914 210 L HN 0.062 nan 8.230 nan 0.000 0.439 211 D N -0.045 120.434 120.400 0.132 0.000 2.117 211 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 211 D C 2.348 178.693 176.300 0.076 0.000 0.982 211 D CA 1.112 55.164 54.000 0.087 0.000 0.828 211 D CB -0.111 40.729 40.800 0.067 0.000 0.967 211 D HN 0.201 nan 8.370 nan 0.000 0.464 212 L N 0.426 121.698 121.223 0.081 0.000 1.989 212 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 212 L C 2.563 179.450 176.870 0.029 0.000 1.071 212 L CA 0.895 55.754 54.840 0.031 0.000 0.749 212 L CB -0.365 41.679 42.059 -0.025 0.000 0.890 212 L HN 0.036 nan 8.230 nan 0.000 0.431 213 I N -0.903 119.732 120.570 0.108 0.000 2.163 213 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 213 I C 2.787 178.926 176.117 0.036 0.000 1.085 213 I CA 1.095 62.445 61.300 0.084 0.000 1.347 213 I CB -0.385 37.718 38.000 0.172 0.000 1.044 213 I HN 0.393 nan 8.210 nan 0.000 0.408 214 Q N 0.648 120.489 119.800 0.068 0.000 2.061 214 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 214 Q C 2.128 178.144 176.000 0.027 0.000 0.984 214 Q CA 1.554 57.389 55.803 0.052 0.000 0.846 214 Q CB -0.339 28.440 28.738 0.068 0.000 0.902 214 Q HN 0.558 nan 8.270 nan 0.000 0.421 215 E N -0.424 119.789 120.200 0.021 0.000 2.051 215 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 215 E C 2.046 178.639 176.600 -0.011 0.000 0.991 215 E CA 1.194 57.598 56.400 0.008 0.000 0.799 215 E CB -0.434 29.268 29.700 0.004 0.000 0.748 215 E HN 0.469 nan 8.360 nan 0.000 0.449 216 G N 2.166 110.944 108.800 -0.036 0.000 2.469 216 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 216 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 216 G C 1.501 176.377 174.900 -0.039 0.000 1.136 216 G CA 0.847 45.906 45.100 -0.067 0.000 0.759 216 G HN 0.152 nan 8.290 nan 0.000 0.562 217 N N 0.349 119.033 118.700 -0.027 0.000 2.084 217 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 217 N C 2.239 177.755 175.510 0.010 0.000 1.030 217 N CA 1.507 54.547 53.050 -0.017 0.000 0.849 217 N CB -0.506 37.971 38.487 -0.018 0.000 1.012 217 N HN 0.419 nan 8.380 nan 0.000 0.423 218 Q N 0.662 120.471 119.800 0.015 0.000 2.234 218 Q HA -0.049 4.291 4.340 -0.000 0.000 0.206 218 Q C 1.817 177.837 176.000 0.033 0.000 0.980 218 Q CA 1.871 57.689 55.803 0.024 0.000 0.869 218 Q CB -0.707 28.046 28.738 0.025 0.000 0.912 218 Q HN 0.386 nan 8.270 nan 0.000 0.436 219 G N 0.368 109.188 108.800 0.033 0.000 2.394 219 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 219 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 219 G C 1.350 176.297 174.900 0.079 0.000 1.165 219 G CA 0.674 45.814 45.100 0.067 0.000 0.784 219 G HN 0.421 nan 8.290 nan 0.000 0.535 220 L N 0.620 121.880 121.223 0.062 0.000 2.083 220 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 220 L C 2.678 179.641 176.870 0.154 0.000 1.083 220 L CA 1.204 56.115 54.840 0.118 0.000 0.752 220 L CB -0.173 41.959 42.059 0.121 0.000 0.899 220 L HN 0.270 nan 8.230 nan 0.000 0.433 221 I N -1.082 119.535 120.570 0.078 0.000 2.286 221 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 221 I C 2.671 178.786 176.117 -0.003 0.000 1.115 221 I CA 1.090 62.418 61.300 0.047 0.000 1.392 221 I CB -0.516 37.498 38.000 0.023 0.000 1.065 221 I HN 0.227 nan 8.210 nan 0.000 0.418 222 R N 1.110 121.577 120.500 -0.054 0.000 2.073 222 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 222 R C 2.503 178.507 176.300 -0.494 0.000 1.134 222 R CA 1.579 57.541 56.100 -0.230 0.000 0.952 222 R CB -0.294 29.911 30.300 -0.159 0.000 0.850 222 R HN 0.392 nan 8.270 nan 0.000 0.433 223 A N 0.194 122.776 122.820 -0.397 0.000 1.940 223 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 223 A C 2.214 179.947 177.584 0.248 0.000 1.176 223 A CA 1.586 53.357 52.037 -0.443 0.000 0.631 223 A CB -0.532 18.344 19.000 -0.206 0.000 0.814 223 A HN 0.209 nan 8.150 nan 0.000 0.446 224 V N 0.989 121.096 119.914 0.323 0.000 2.469 224 V HA -0.309 3.811 4.120 -0.000 0.000 0.251 224 V C 2.522 178.707 176.094 0.151 0.000 1.064 224 V CA 2.442 64.880 62.300 0.231 0.000 1.066 224 V CB -1.049 30.803 31.823 0.048 0.000 0.667 224 V HN 0.948 nan 8.190 nan 0.000 0.461 225 E N 0.782 121.008 120.200 0.043 0.000 2.152 225 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 225 E C 1.958 178.597 176.600 0.065 0.000 0.983 225 E CA 1.288 57.699 56.400 0.017 0.000 0.818 225 E CB -0.230 29.438 29.700 -0.053 0.000 0.758 225 E HN 0.527 nan 8.360 nan 0.000 0.467 226 K N -0.452 120.018 120.400 0.116 0.000 2.354 226 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 226 K C -0.250 176.549 176.600 0.332 0.000 1.038 226 K CA -0.405 56.013 56.287 0.218 0.000 1.052 226 K CB 0.187 32.839 32.500 0.254 0.000 0.861 226 K HN 0.089 nan 8.250 nan 0.000 0.535 227 F N 3.263 123.419 119.950 0.343 0.000 2.543 227 F HA 0.003 4.530 4.527 -0.000 0.000 0.375 227 F C 0.090 175.922 175.800 0.052 0.000 1.075 227 F CA -0.284 57.785 58.000 0.114 0.000 1.225 227 F CB 0.409 39.645 39.000 0.393 0.000 1.099 227 F HN -0.117 nan 8.300 nan 0.000 0.561 228 E N 5.868 125.457 120.200 -1.019 0.000 2.035 228 E HA 0.064 4.414 4.350 -0.000 0.000 0.271 228 E C 0.165 176.036 176.600 -1.215 0.000 0.953 228 E CA -0.357 55.572 56.400 -0.786 0.000 0.777 228 E CB 0.195 29.620 29.700 -0.458 0.000 1.104 228 E HN 0.661 nan 8.360 nan 0.000 0.408 229 Y N 4.048 123.767 120.300 -0.968 0.000 2.403 229 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 229 Y C 1.175 176.843 175.900 -0.387 0.000 1.143 229 Y CA 1.066 58.836 58.100 -0.549 0.000 1.257 229 Y CB -0.075 38.316 38.460 -0.114 0.000 0.984 229 Y HN 0.269 nan 8.280 nan 0.000 0.550 230 K N 0.909 120.813 120.400 -0.827 0.000 2.063 230 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 230 K C 0.503 176.754 176.600 -0.581 0.000 1.048 230 K CA 1.549 57.385 56.287 -0.752 0.000 0.928 230 K CB -0.172 32.022 32.500 -0.510 0.000 0.713 230 K HN 0.294 nan 8.250 nan 0.000 0.442 231 R N 1.383 121.482 120.500 -0.668 0.000 2.272 231 R HA 0.103 4.443 4.340 -0.000 0.000 0.334 231 R C 0.719 176.384 176.300 -1.058 0.000 1.117 231 R CA -0.281 55.275 56.100 -0.906 0.000 0.966 231 R CB 0.611 30.272 30.300 -1.066 0.000 1.049 231 R HN 0.013 nan 8.270 nan 0.000 0.477 232 R N 3.314 123.440 120.500 -0.624 0.000 2.196 232 R HA -0.219 4.121 4.340 -0.000 0.000 0.259 232 R C -0.212 176.037 176.300 -0.086 0.000 1.154 232 R CA 1.550 57.488 56.100 -0.271 0.000 0.976 232 R CB -0.663 29.567 30.300 -0.116 0.000 0.888 232 R HN 0.536 nan 8.270 nan 0.000 0.453 233 F N 1.211 121.254 119.950 0.154 0.000 2.637 233 F HA -0.041 4.486 4.527 -0.000 0.000 0.372 233 F C 0.837 176.797 175.800 0.266 0.000 1.107 233 F CA -0.425 57.684 58.000 0.181 0.000 1.325 233 F CB -0.101 38.993 39.000 0.156 0.000 1.016 233 F HN -0.018 nan 8.300 nan 0.000 0.593 234 K N 1.735 122.314 120.400 0.298 0.000 2.090 234 K HA 0.333 4.653 4.320 -0.000 0.000 0.250 234 K C 0.183 176.753 176.600 -0.051 0.000 1.004 234 K CA -0.652 55.706 56.287 0.119 0.000 0.919 234 K CB 0.469 33.037 32.500 0.113 0.000 1.045 234 K HN 0.532 nan 8.250 nan 0.000 0.471 235 F N 1.118 120.817 119.950 -0.420 0.000 2.307 235 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 235 F C 2.340 178.101 175.800 -0.065 0.000 1.076 235 F CA 1.686 59.451 58.000 -0.391 0.000 1.383 235 F CB -0.335 38.468 39.000 -0.329 0.000 1.055 235 F HN 0.844 nan 8.300 nan 0.000 0.526 236 S N -0.492 115.211 115.700 0.005 0.000 2.378 236 S HA -0.258 4.212 4.470 -0.000 0.000 0.221 236 S C 2.130 176.689 174.600 -0.069 0.000 1.037 236 S CA 2.526 60.713 58.200 -0.022 0.000 1.069 236 S CB -1.023 62.196 63.200 0.031 0.000 1.006 236 S HN 0.433 nan 8.310 nan 0.000 0.423 237 T N 0.283 114.836 114.554 -0.001 0.000 2.803 237 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 237 T C 1.519 176.255 174.700 0.059 0.000 1.052 237 T CA 1.572 63.687 62.100 0.025 0.000 1.136 237 T CB -0.561 68.336 68.868 0.048 0.000 0.864 237 T HN 0.558 nan 8.240 nan 0.000 0.467 238 Y N 1.888 122.105 120.300 -0.139 0.000 2.184 238 Y HA 0.167 4.716 4.550 -0.000 0.000 0.290 238 Y C 2.558 178.381 175.900 -0.129 0.000 1.129 238 Y CA 0.406 58.454 58.100 -0.087 0.000 1.144 238 Y CB -0.909 37.486 38.460 -0.108 0.000 0.995 238 Y HN 0.180 nan 8.280 nan 0.000 0.513 239 A N -0.586 121.898 122.820 -0.559 0.000 1.933 239 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 239 A C 2.217 179.690 177.584 -0.186 0.000 1.175 239 A CA 2.364 54.080 52.037 -0.536 0.000 0.628 239 A CB -1.363 17.252 19.000 -0.643 0.000 0.814 239 A HN 0.533 nan 8.150 nan 0.000 0.444 240 T N -1.787 112.689 114.554 -0.131 0.000 2.624 240 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 240 T C 1.534 176.196 174.700 -0.064 0.000 1.041 240 T CA 1.625 63.676 62.100 -0.082 0.000 1.159 240 T CB -0.576 68.268 68.868 -0.040 0.000 0.863 240 T HN 0.717 nan 8.240 nan 0.000 0.434 241 W N 0.603 121.771 121.300 -0.219 0.000 2.352 241 W HA -0.052 4.608 4.660 -0.000 0.000 0.322 241 W C 1.949 178.281 176.519 -0.312 0.000 1.208 241 W CA 0.747 57.917 57.345 -0.290 0.000 1.286 241 W CB -0.694 28.532 29.460 -0.390 0.000 1.167 241 W HN 0.235 nan 8.180 nan 0.000 0.469 242 W N 0.157 121.526 121.300 0.114 0.000 2.389 242 W HA -0.170 4.490 4.660 -0.000 0.000 0.267 242 W C 2.091 178.495 176.519 -0.193 0.000 1.219 242 W CA 0.920 58.251 57.345 -0.023 0.000 1.189 242 W CB -0.392 29.004 29.460 -0.107 0.000 1.129 242 W HN -0.063 nan 8.180 nan 0.000 0.581 243 I N -0.667 119.884 120.570 -0.032 0.000 2.512 243 I HA -0.166 4.004 4.170 -0.000 0.000 0.247 243 I C 2.503 178.481 176.117 -0.231 0.000 1.094 243 I CA 0.537 61.773 61.300 -0.107 0.000 1.427 243 I CB -0.349 37.578 38.000 -0.122 0.000 1.149 243 I HN -0.242 nan 8.210 nan 0.000 0.438 244 R N 0.518 120.828 120.500 -0.317 0.000 2.139 244 R HA -0.228 4.112 4.340 -0.000 0.000 0.243 244 R C 2.117 178.214 176.300 -0.338 0.000 1.145 244 R CA 1.382 57.259 56.100 -0.372 0.000 0.976 244 R CB -0.569 29.535 30.300 -0.328 0.000 0.866 244 R HN 0.380 nan 8.270 nan 0.000 0.449 245 Q N 0.229 119.725 119.800 -0.508 0.000 2.016 245 Q HA -0.009 4.331 4.340 -0.000 0.000 0.200 245 Q C 2.082 177.933 176.000 -0.249 0.000 0.978 245 Q CA 2.031 57.518 55.803 -0.526 0.000 0.833 245 Q CB -0.365 27.839 28.738 -0.889 0.000 0.895 245 Q HN 0.362 nan 8.270 nan 0.000 0.427 246 A N 0.083 122.806 122.820 -0.162 0.000 1.908 246 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 246 A C 2.060 179.607 177.584 -0.061 0.000 1.181 246 A CA 1.465 53.465 52.037 -0.063 0.000 0.627 246 A CB -0.784 18.207 19.000 -0.016 0.000 0.818 246 A HN 0.419 nan 8.150 nan 0.000 0.445 247 I N -0.138 120.375 120.570 -0.094 0.000 2.090 247 I HA -0.272 3.898 4.170 -0.000 0.000 0.236 247 I C 2.196 178.329 176.117 0.027 0.000 1.064 247 I CA 1.381 62.650 61.300 -0.051 0.000 1.324 247 I CB -0.660 37.247 38.000 -0.155 0.000 1.044 247 I HN 0.319 nan 8.210 nan 0.000 0.399 248 N N 0.789 119.522 118.700 0.056 0.000 2.137 248 N HA -0.239 4.501 4.740 -0.000 0.000 0.190 248 N C 1.932 177.435 175.510 -0.013 0.000 1.017 248 N CA 1.390 54.467 53.050 0.045 0.000 0.859 248 N CB -0.432 38.062 38.487 0.013 0.000 1.002 248 N HN 0.356 nan 8.380 nan 0.000 0.428 249 R N 0.829 121.309 120.500 -0.033 0.000 2.070 249 R HA -0.042 4.298 4.340 -0.000 0.000 0.233 249 R C 2.242 178.537 176.300 -0.008 0.000 1.137 249 R CA 1.451 57.536 56.100 -0.025 0.000 0.945 249 R CB -0.294 29.991 30.300 -0.025 0.000 0.845 249 R HN 0.166 nan 8.270 nan 0.000 0.430 250 A N 1.220 124.038 122.820 -0.003 0.000 1.903 250 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 250 A C 2.175 179.762 177.584 0.006 0.000 1.191 250 A CA 1.979 54.019 52.037 0.005 0.000 0.638 250 A CB -0.787 18.218 19.000 0.008 0.000 0.823 250 A HN 0.415 nan 8.150 nan 0.000 0.451 251 I N -0.402 120.173 120.570 0.008 0.000 2.264 251 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 251 I C 2.822 178.933 176.117 -0.010 0.000 1.111 251 I CA 1.271 62.572 61.300 0.001 0.000 1.382 251 I CB -0.317 37.684 38.000 0.002 0.000 1.060 251 I HN 0.372 nan 8.210 nan 0.000 0.418 252 A N 0.038 122.852 122.820 -0.011 0.000 1.975 252 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 252 A C 1.781 179.363 177.584 -0.003 0.000 1.170 252 A CA 1.501 53.531 52.037 -0.012 0.000 0.656 252 A CB -0.316 18.675 19.000 -0.014 0.000 0.821 252 A HN 0.310 nan 8.150 nan 0.000 0.449 253 D N -0.948 119.453 120.400 0.000 0.000 2.216 253 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 253 D C 2.060 178.363 176.300 0.004 0.000 0.960 253 D CA 1.067 55.069 54.000 0.005 0.000 0.861 253 D CB -0.027 40.777 40.800 0.008 0.000 0.985 253 D HN 0.541 nan 8.370 nan 0.000 0.493 254 Q N -0.382 119.420 119.800 0.004 0.000 2.423 254 Q HA 0.312 4.652 4.340 -0.000 0.000 0.231 254 Q C 2.032 178.033 176.000 0.002 0.000 0.894 254 Q CA 0.376 56.182 55.803 0.005 0.000 0.938 254 Q CB 0.375 29.118 28.738 0.009 0.000 1.079 254 Q HN 0.128 nan 8.270 nan 0.000 0.552 255 A N 1.785 124.605 122.820 -0.001 0.000 1.915 255 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 255 A C 1.073 178.652 177.584 -0.008 0.000 1.198 255 A CA 1.346 53.380 52.037 -0.005 0.000 0.647 255 A CB -0.369 18.625 19.000 -0.011 0.000 0.825 255 A HN 0.183 nan 8.150 nan 0.000 0.456 256 R N -1.710 118.785 120.500 -0.008 0.000 2.532 256 R HA 0.419 4.759 4.340 -0.000 0.000 0.272 256 R C 0.849 177.142 176.300 -0.010 0.000 1.032 256 R CA 0.154 56.248 56.100 -0.011 0.000 1.089 256 R CB 0.425 30.718 30.300 -0.011 0.000 1.098 256 R HN 0.203 nan 8.270 nan 0.000 0.526 257 T N 0.815 115.360 114.554 -0.015 0.000 2.857 257 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 257 T C 0.923 175.614 174.700 -0.014 0.000 1.048 257 T CA 0.861 62.951 62.100 -0.016 0.000 1.139 257 T CB 0.163 69.016 68.868 -0.024 0.000 0.874 257 T HN 0.264 nan 8.240 nan 0.000 0.455 258 I N 2.979 123.541 120.570 -0.014 0.000 2.361 258 I HA 0.345 4.515 4.170 -0.000 0.000 0.282 258 I C 0.336 176.449 176.117 -0.006 0.000 1.075 258 I CA -0.992 60.301 61.300 -0.011 0.000 1.205 258 I CB 0.185 38.178 38.000 -0.013 0.000 1.406 258 I HN 0.056 nan 8.210 nan 0.000 0.481 259 R N 5.121 125.619 120.500 -0.003 0.000 2.478 259 R HA -0.018 4.322 4.340 -0.000 0.000 0.277 259 R C -0.898 175.404 176.300 0.003 0.000 0.913 259 R CA 1.088 57.188 56.100 0.001 0.000 1.125 259 R CB 0.089 30.390 30.300 0.003 0.000 0.863 259 R HN 0.566 nan 8.270 nan 0.000 0.426 260 I N 7.260 127.834 120.570 0.006 0.000 2.512 260 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 260 I C -2.082 174.047 176.117 0.020 0.000 1.069 260 I CA -2.648 58.660 61.300 0.012 0.000 1.056 260 I CB 2.396 40.402 38.000 0.010 0.000 1.229 260 I HN 0.604 nan 8.210 nan 0.000 0.429 261 P HA -0.007 nan 4.420 nan 0.000 0.266 261 P C 1.074 178.407 177.300 0.055 0.000 1.193 261 P CA -0.194 62.931 63.100 0.042 0.000 0.770 261 P CB 0.651 32.380 31.700 0.049 0.000 0.836 262 V N 1.365 121.307 119.914 0.046 0.000 2.370 262 V HA -0.319 3.801 4.120 -0.000 0.000 0.252 262 V C 2.173 178.293 176.094 0.043 0.000 1.068 262 V CA 2.081 64.396 62.300 0.025 0.000 1.061 262 V CB -1.468 30.358 31.823 0.005 0.000 0.656 262 V HN 0.723 nan 8.190 nan 0.000 0.455 263 H N 0.444 119.519 119.070 0.009 0.000 2.321 263 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 263 H C 2.285 177.633 175.328 0.034 0.000 1.087 263 H CA 2.138 58.200 56.048 0.023 0.000 1.319 263 H CB -0.070 29.708 29.762 0.028 0.000 1.379 263 H HN 0.311 nan 8.280 nan 0.000 0.501 264 M N 0.046 119.790 119.600 0.239 0.000 2.159 264 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 264 M C 2.607 178.966 176.300 0.098 0.000 1.063 264 M CA 0.621 56.021 55.300 0.167 0.000 1.110 264 M CB -1.494 31.160 32.600 0.090 0.000 1.374 264 M HN 0.048 nan 8.290 nan 0.000 0.411 265 V N 1.455 121.401 119.914 0.054 0.000 2.214 265 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 265 V C 2.420 178.502 176.094 -0.020 0.000 1.047 265 V CA 2.246 64.548 62.300 0.004 0.000 0.998 265 V CB -1.108 30.706 31.823 -0.015 0.000 0.633 265 V HN 0.470 nan 8.190 nan 0.000 0.446 266 E N 0.007 120.179 120.200 -0.047 0.000 2.130 266 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 266 E C 2.192 178.758 176.600 -0.056 0.000 0.998 266 E CA 1.858 58.207 56.400 -0.085 0.000 0.806 266 E CB -0.520 29.090 29.700 -0.150 0.000 0.738 266 E HN 0.592 nan 8.360 nan 0.000 0.459 267 T N 1.440 116.006 114.554 0.020 0.000 2.635 267 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 267 T C 1.969 176.657 174.700 -0.021 0.000 1.040 267 T CA 1.356 63.508 62.100 0.086 0.000 1.156 267 T CB -0.266 68.769 68.868 0.279 0.000 0.863 267 T HN 0.124 nan 8.240 nan 0.000 0.430 268 I N 1.155 121.720 120.570 -0.009 0.000 2.286 268 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 268 I C 2.637 178.709 176.117 -0.075 0.000 1.115 268 I CA 0.851 62.126 61.300 -0.042 0.000 1.392 268 I CB -0.351 37.635 38.000 -0.023 0.000 1.065 268 I HN 0.211 nan 8.210 nan 0.000 0.418 269 N N 1.067 119.721 118.700 -0.078 0.000 2.058 269 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 269 N C 1.810 177.252 175.510 -0.112 0.000 1.037 269 N CA 1.303 54.296 53.050 -0.094 0.000 0.848 269 N CB -0.030 38.397 38.487 -0.100 0.000 1.021 269 N HN 0.308 nan 8.380 nan 0.000 0.422 270 K N 1.002 121.325 120.400 -0.128 0.000 2.063 270 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 270 K C 2.265 178.741 176.600 -0.208 0.000 1.048 270 K CA 0.678 56.867 56.287 -0.163 0.000 0.928 270 K CB -0.452 31.939 32.500 -0.182 0.000 0.713 270 K HN 0.249 nan 8.250 nan 0.000 0.442 271 L N 0.973 122.061 121.223 -0.225 0.000 2.017 271 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 271 L C 2.572 179.355 176.870 -0.145 0.000 1.073 271 L CA 1.251 55.954 54.840 -0.228 0.000 0.745 271 L CB -0.555 41.392 42.059 -0.187 0.000 0.894 271 L HN 0.083 nan 8.230 nan 0.000 0.432 272 S N -0.401 115.232 115.700 -0.111 0.000 2.343 272 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 272 S C 2.016 176.566 174.600 -0.083 0.000 1.033 272 S CA 1.051 59.201 58.200 -0.083 0.000 1.014 272 S CB -0.337 62.819 63.200 -0.073 0.000 0.915 272 S HN 0.323 nan 8.310 nan 0.000 0.435 273 R N 0.845 121.289 120.500 -0.093 0.000 2.119 273 R HA -0.114 4.226 4.340 -0.000 0.000 0.246 273 R C 2.453 178.702 176.300 -0.084 0.000 1.146 273 R CA 1.847 57.896 56.100 -0.085 0.000 0.962 273 R CB -1.456 28.788 30.300 -0.092 0.000 0.863 273 R HN 0.423 nan 8.270 nan 0.000 0.442 274 T N 1.112 115.602 114.554 -0.107 0.000 2.746 274 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 274 T C 1.967 176.622 174.700 -0.075 0.000 1.039 274 T CA 1.414 63.452 62.100 -0.104 0.000 1.142 274 T CB -0.245 68.530 68.868 -0.155 0.000 0.866 274 T HN 0.404 nan 8.240 nan 0.000 0.444 275 A N 1.674 124.452 122.820 -0.070 0.000 2.019 275 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 275 A C 2.354 179.916 177.584 -0.036 0.000 1.164 275 A CA 1.292 53.303 52.037 -0.043 0.000 0.644 275 A CB -0.442 18.538 19.000 -0.034 0.000 0.805 275 A HN 0.444 nan 8.150 nan 0.000 0.449 276 R N -0.782 119.692 120.500 -0.044 0.000 2.062 276 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 276 R C 2.284 178.563 176.300 -0.034 0.000 1.136 276 R CA 1.362 57.440 56.100 -0.038 0.000 0.948 276 R CB -0.338 29.936 30.300 -0.044 0.000 0.845 276 R HN 0.504 nan 8.270 nan 0.000 0.430 277 Q N 0.658 120.435 119.800 -0.039 0.000 2.226 277 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 277 Q C 2.153 178.136 176.000 -0.028 0.000 0.975 277 Q CA 1.115 56.898 55.803 -0.034 0.000 0.866 277 Q CB 0.044 28.759 28.738 -0.039 0.000 0.915 277 Q HN 0.438 nan 8.270 nan 0.000 0.440 278 L N 0.058 121.264 121.223 -0.029 0.000 2.270 278 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 278 L C 2.400 179.260 176.870 -0.018 0.000 1.104 278 L CA 0.530 55.357 54.840 -0.022 0.000 0.804 278 L CB -0.232 41.814 42.059 -0.021 0.000 0.937 278 L HN 0.137 nan 8.230 nan 0.000 0.450 279 Q N 0.518 120.307 119.800 -0.019 0.000 2.224 279 Q HA -0.218 4.122 4.340 -0.000 0.000 0.203 279 Q C 2.098 178.089 176.000 -0.015 0.000 0.970 279 Q CA 1.364 57.158 55.803 -0.015 0.000 0.865 279 Q CB -0.294 28.435 28.738 -0.016 0.000 0.922 279 Q HN 0.334 nan 8.270 nan 0.000 0.445 280 Q N 0.085 119.874 119.800 -0.017 0.000 2.156 280 Q HA -0.264 4.076 4.340 -0.000 0.000 0.211 280 Q C 1.068 177.060 176.000 -0.014 0.000 0.995 280 Q CA 2.396 58.189 55.803 -0.016 0.000 0.877 280 Q CB 0.106 28.833 28.738 -0.018 0.000 0.920 280 Q HN 0.515 nan 8.270 nan 0.000 0.416 281 E N -1.379 118.813 120.200 -0.013 0.000 2.414 281 E HA 0.114 4.463 4.350 -0.000 0.000 0.208 281 E C 2.145 178.738 176.600 -0.011 0.000 0.820 281 E CA 0.219 56.612 56.400 -0.011 0.000 1.143 281 E CB 0.017 29.710 29.700 -0.011 0.000 1.150 281 E HN 0.349 nan 8.360 nan 0.000 0.540 282 L N -0.508 120.708 121.223 -0.012 0.000 2.042 282 L HA 0.096 4.436 4.340 -0.000 0.000 0.210 282 L C 1.884 178.747 176.870 -0.012 0.000 1.076 282 L CA 1.240 56.073 54.840 -0.012 0.000 0.749 282 L CB -0.900 41.151 42.059 -0.014 0.000 0.893 282 L HN 0.393 nan 8.230 nan 0.000 0.432 283 G N -0.003 108.791 108.800 -0.011 0.000 2.159 283 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.256 283 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.256 283 G C 0.122 175.015 174.900 -0.011 0.000 0.977 283 G CA -0.060 45.033 45.100 -0.010 0.000 0.652 283 G HN 0.297 nan 8.290 nan 0.000 0.531 284 R N 1.084 121.577 120.500 -0.013 0.000 2.422 284 R HA 0.284 4.624 4.340 -0.000 0.000 0.307 284 R C 0.134 176.425 176.300 -0.015 0.000 1.004 284 R CA -0.609 55.481 56.100 -0.016 0.000 0.882 284 R CB 0.820 31.108 30.300 -0.021 0.000 1.164 284 R HN 0.724 nan 8.270 nan 0.000 0.489 285 E N 3.745 123.938 120.200 -0.011 0.000 2.562 285 E HA 0.040 4.390 4.350 -0.000 0.000 0.241 285 E C -1.936 174.659 176.600 -0.008 0.000 1.136 285 E CA -1.450 54.948 56.400 -0.004 0.000 0.952 285 E CB -0.539 29.163 29.700 0.004 0.000 0.975 285 E HN 0.136 nan 8.360 nan 0.000 0.494 286 P HA -0.200 nan 4.420 nan 0.000 0.264 286 P C 0.049 177.335 177.300 -0.023 0.000 1.139 286 P CA 0.787 63.881 63.100 -0.010 0.000 0.754 286 P CB 0.408 32.111 31.700 0.005 0.000 0.737 287 T N 2.593 117.103 114.554 -0.074 0.000 2.813 287 T HA 0.087 4.437 4.350 -0.000 0.000 0.297 287 T C 0.580 175.224 174.700 -0.093 0.000 1.036 287 T CA -0.327 61.654 62.100 -0.197 0.000 1.044 287 T CB 0.169 68.907 68.868 -0.217 0.000 0.993 287 T HN 0.220 nan 8.240 nan 0.000 0.535 288 Y N 0.984 121.290 120.300 0.010 0.000 2.572 288 Y HA 0.190 4.740 4.550 -0.000 0.000 0.340 288 Y C 1.965 177.880 175.900 0.026 0.000 1.224 288 Y CA -0.247 57.863 58.100 0.017 0.000 1.260 288 Y CB -1.223 37.253 38.460 0.027 0.000 1.078 288 Y HN 0.705 nan 8.280 nan 0.000 0.491 289 E N 0.473 120.719 120.200 0.077 0.000 2.057 289 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 289 E C 1.690 178.325 176.600 0.058 0.000 0.969 289 E CA 0.668 57.104 56.400 0.060 0.000 0.812 289 E CB 0.259 29.967 29.700 0.013 0.000 0.777 289 E HN 0.277 nan 8.360 nan 0.000 0.455 290 E N 0.785 121.006 120.200 0.034 0.000 2.023 290 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 290 E C 1.966 178.579 176.600 0.022 0.000 1.003 290 E CA 0.968 57.381 56.400 0.021 0.000 0.809 290 E CB -0.389 29.315 29.700 0.005 0.000 0.755 290 E HN 0.225 nan 8.360 nan 0.000 0.449 291 I N 0.647 121.234 120.570 0.028 0.000 2.185 291 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 291 I C 1.924 178.036 176.117 -0.008 0.000 1.088 291 I CA 1.889 63.184 61.300 -0.008 0.000 1.347 291 I CB -0.591 37.420 38.000 0.018 0.000 1.041 291 I HN 0.108 nan 8.210 nan 0.000 0.415 292 A N -0.043 122.829 122.820 0.087 0.000 1.858 292 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 292 A C 2.161 179.839 177.584 0.157 0.000 1.190 292 A CA 1.946 54.093 52.037 0.182 0.000 0.617 292 A CB -0.897 18.218 19.000 0.191 0.000 0.827 292 A HN 0.615 nan 8.150 nan 0.000 0.443 293 E N -0.178 120.079 120.200 0.095 0.000 2.013 293 E HA -0.182 4.168 4.350 -0.000 0.000 0.202 293 E C 2.367 178.994 176.600 0.047 0.000 1.018 293 E CA 1.116 57.560 56.400 0.073 0.000 0.834 293 E CB -0.452 29.274 29.700 0.045 0.000 0.770 293 E HN 0.561 nan 8.360 nan 0.000 0.459 294 A N 1.433 124.256 122.820 0.004 0.000 1.948 294 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 294 A C 2.165 179.706 177.584 -0.071 0.000 1.177 294 A CA 1.631 53.650 52.037 -0.029 0.000 0.636 294 A CB -0.475 18.497 19.000 -0.046 0.000 0.815 294 A HN 0.193 nan 8.150 nan 0.000 0.449 295 M N -1.510 118.002 119.600 -0.147 0.000 2.059 295 M HA 0.088 4.568 4.480 -0.000 0.000 0.259 295 M C 1.300 177.538 176.300 -0.103 0.000 1.072 295 M CA 2.106 57.188 55.300 -0.363 0.000 1.117 295 M CB -1.178 30.830 32.600 -0.987 0.000 1.320 295 M HN 0.577 nan 8.290 nan 0.000 0.408 296 G N -2.506 106.427 108.800 0.223 0.000 2.441 296 G HA2 0.101 4.061 3.960 -0.000 0.000 0.222 296 G HA3 0.101 4.061 3.960 -0.000 0.000 0.222 296 G C -2.478 172.651 174.900 0.382 0.000 1.254 296 G CA -0.280 45.027 45.100 0.345 0.000 0.959 296 G HN 0.091 nan 8.290 nan 0.000 0.474 297 P HA 0.044 nan 4.420 nan 0.000 0.208 297 P C 1.497 178.789 177.300 -0.012 0.000 1.180 297 P CA 2.379 65.531 63.100 0.087 0.000 0.935 297 P CB -0.087 31.643 31.700 0.050 0.000 0.785 298 G N -2.039 106.625 108.800 -0.225 0.000 4.125 298 G HA2 0.220 4.180 3.960 -0.000 0.000 0.301 298 G HA3 0.220 4.180 3.960 -0.000 0.000 0.301 298 G C -0.996 173.589 174.900 -0.526 0.000 1.273 298 G CA -0.384 44.508 45.100 -0.347 0.000 1.095 298 G HN 0.122 nan 8.290 nan 0.000 0.582 299 W N 0.458 121.764 121.300 0.010 0.000 2.361 299 W HA 0.559 5.219 4.660 -0.000 0.000 0.309 299 W C -0.133 176.396 176.519 0.017 0.000 1.122 299 W CA -0.695 56.658 57.345 0.012 0.000 1.208 299 W CB 1.510 30.979 29.460 0.016 0.000 1.246 299 W HN 0.176 nan 8.180 nan 0.000 0.490 300 D N 0.872 121.396 120.400 0.205 0.000 2.523 300 D HA 0.554 5.194 4.640 -0.000 0.000 0.236 300 D C 0.956 177.351 176.300 0.158 0.000 1.094 300 D CA -0.344 53.740 54.000 0.140 0.000 0.942 300 D CB 1.876 42.712 40.800 0.061 0.000 1.447 300 D HN 0.295 nan 8.370 nan 0.000 0.479 301 A N 1.865 124.775 122.820 0.150 0.000 1.892 301 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 301 A C 1.864 179.510 177.584 0.104 0.000 1.188 301 A CA 2.621 54.772 52.037 0.191 0.000 0.631 301 A CB -0.925 18.212 19.000 0.227 0.000 0.822 301 A HN 0.704 nan 8.150 nan 0.000 0.447 302 K N -0.208 120.235 120.400 0.071 0.000 2.103 302 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 302 K C 2.098 178.701 176.600 0.006 0.000 1.048 302 K CA 1.827 58.128 56.287 0.024 0.000 0.930 302 K CB -0.307 32.205 32.500 0.019 0.000 0.716 302 K HN 0.403 nan 8.250 nan 0.000 0.444 303 R N 0.424 120.952 120.500 0.046 0.000 2.062 303 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 303 R C 2.088 178.456 176.300 0.114 0.000 1.136 303 R CA 1.681 57.833 56.100 0.085 0.000 0.948 303 R CB -0.254 30.126 30.300 0.134 0.000 0.845 303 R HN 0.150 nan 8.270 nan 0.000 0.430 304 V N 0.889 120.870 119.914 0.112 0.000 2.307 304 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 304 V C 2.199 178.204 176.094 -0.150 0.000 1.045 304 V CA 2.075 64.391 62.300 0.026 0.000 1.024 304 V CB -0.537 31.314 31.823 0.045 0.000 0.651 304 V HN 0.391 nan 8.190 nan 0.000 0.449 305 E N 0.350 120.362 120.200 -0.313 0.000 2.160 305 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 305 E C 2.217 178.687 176.600 -0.217 0.000 0.991 305 E CA 1.576 57.689 56.400 -0.478 0.000 0.810 305 E CB -0.216 29.169 29.700 -0.526 0.000 0.742 305 E HN 0.582 nan 8.360 nan 0.000 0.466 306 E N -0.597 119.535 120.200 -0.114 0.000 2.046 306 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 306 E C 2.096 178.675 176.600 -0.035 0.000 0.982 306 E CA 1.869 58.235 56.400 -0.056 0.000 0.800 306 E CB -0.221 29.465 29.700 -0.024 0.000 0.756 306 E HN 0.543 nan 8.360 nan 0.000 0.449 307 T N -0.087 114.462 114.554 -0.008 0.000 2.746 307 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 307 T C 2.164 176.851 174.700 -0.022 0.000 1.039 307 T CA 1.232 63.339 62.100 0.012 0.000 1.142 307 T CB -0.605 68.296 68.868 0.055 0.000 0.866 307 T HN 0.125 nan 8.240 nan 0.000 0.444 308 L N 0.196 121.386 121.223 -0.054 0.000 2.362 308 L HA 0.087 4.427 4.340 -0.000 0.000 0.219 308 L C 2.839 179.679 176.870 -0.051 0.000 1.134 308 L CA 1.033 55.839 54.840 -0.057 0.000 0.807 308 L CB -0.555 41.456 42.059 -0.079 0.000 0.927 308 L HN 0.271 nan 8.230 nan 0.000 0.447 309 K N 0.577 120.943 120.400 -0.057 0.000 2.167 309 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 309 K C 1.963 178.547 176.600 -0.027 0.000 1.052 309 K CA 1.016 57.278 56.287 -0.043 0.000 0.956 309 K CB 0.071 32.543 32.500 -0.047 0.000 0.735 309 K HN 0.315 nan 8.250 nan 0.000 0.451 310 I N 0.148 120.704 120.570 -0.023 0.000 2.876 310 I HA -0.062 4.108 4.170 -0.000 0.000 0.264 310 I C 2.260 178.368 176.117 -0.015 0.000 1.204 310 I CA 0.333 61.624 61.300 -0.015 0.000 1.485 310 I CB -0.139 37.857 38.000 -0.006 0.000 1.103 310 I HN 0.001 nan 8.210 nan 0.000 0.446 311 A N 1.195 124.004 122.820 -0.018 0.000 1.929 311 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 311 A C 1.314 178.886 177.584 -0.020 0.000 1.176 311 A CA 0.454 52.479 52.037 -0.020 0.000 0.628 311 A CB -0.683 18.303 19.000 -0.024 0.000 0.816 311 A HN 0.576 nan 8.150 nan 0.000 0.444 312 Q N 1.994 121.782 119.800 -0.020 0.000 2.271 312 Q HA 0.230 4.570 4.340 -0.000 0.000 0.273 312 Q C -0.689 175.299 176.000 -0.020 0.000 1.051 312 Q CA -0.190 55.602 55.803 -0.017 0.000 0.901 312 Q CB 0.173 28.903 28.738 -0.014 0.000 1.174 312 Q HN 0.586 nan 8.270 nan 0.000 0.385 313 E N 3.950 124.138 120.200 -0.021 0.000 2.409 313 E HA 0.153 4.503 4.350 -0.000 0.000 0.257 313 E C -1.810 174.771 176.600 -0.031 0.000 1.150 313 E CA -1.434 54.951 56.400 -0.025 0.000 0.942 313 E CB -0.391 29.295 29.700 -0.024 0.000 0.979 313 E HN 0.511 nan 8.360 nan 0.000 0.447 314 P HA 0.074 nan 4.420 nan 0.000 0.296 314 P C -0.253 177.007 177.300 -0.067 0.000 1.295 314 P CA -0.309 62.757 63.100 -0.057 0.000 0.754 314 P CB 0.396 32.056 31.700 -0.068 0.000 1.311 315 V N -1.332 118.519 119.914 -0.104 0.000 2.919 315 V HA 0.248 4.368 4.120 -0.000 0.000 0.316 315 V C 0.346 176.336 176.094 -0.173 0.000 1.077 315 V CA -0.717 61.511 62.300 -0.119 0.000 0.977 315 V CB 1.634 33.374 31.823 -0.139 0.000 1.039 315 V HN 0.425 nan 8.190 nan 0.000 0.441 316 S N 2.029 117.636 115.700 -0.154 0.000 2.443 316 S HA 0.216 4.686 4.470 -0.000 0.000 0.284 316 S C 1.206 175.625 174.600 -0.301 0.000 1.206 316 S CA -0.286 57.802 58.200 -0.187 0.000 1.074 316 S CB 0.192 63.308 63.200 -0.141 0.000 0.963 316 S HN 0.669 nan 8.310 nan 0.000 0.501 317 L N 2.895 123.928 121.223 -0.318 0.000 2.089 317 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 317 L C 0.547 177.197 176.870 -0.367 0.000 1.079 317 L CA 1.423 56.037 54.840 -0.376 0.000 0.758 317 L CB 0.071 41.979 42.059 -0.250 0.000 0.891 317 L HN 0.571 nan 8.230 nan 0.000 0.433 318 E N -0.303 119.648 120.200 -0.416 0.000 2.046 318 E HA 0.266 4.616 4.350 -0.000 0.000 0.279 318 E C -0.763 175.492 176.600 -0.575 0.000 0.989 318 E CA 0.004 55.946 56.400 -0.763 0.000 0.798 318 E CB 1.243 30.374 29.700 -0.949 0.000 1.086 318 E HN -0.016 nan 8.360 nan 0.000 0.399 319 T N 3.595 117.938 114.554 -0.351 0.000 2.900 319 T HA 0.434 4.784 4.350 -0.000 0.000 0.303 319 T C -2.687 172.115 174.700 0.169 0.000 1.142 319 T CA -1.795 60.293 62.100 -0.020 0.000 1.007 319 T CB 1.777 70.727 68.868 0.137 0.000 1.156 319 T HN 0.090 nan 8.240 nan 0.000 0.490 320 P HA 0.384 nan 4.420 nan 0.000 0.282 320 P C -0.781 176.555 177.300 0.060 0.000 1.274 320 P CA -0.463 62.746 63.100 0.181 0.000 0.770 320 P CB 0.293 32.071 31.700 0.129 0.000 0.867 321 I N 1.405 121.972 120.570 -0.005 0.000 2.910 321 I HA 0.531 4.701 4.170 -0.000 0.000 0.310 321 I C 1.521 177.587 176.117 -0.086 0.000 1.043 321 I CA -0.548 60.682 61.300 -0.117 0.000 1.053 321 I CB 0.517 38.325 38.000 -0.319 0.000 1.242 321 I HN 0.632 nan 8.210 nan 0.000 0.452 322 G N 3.711 112.461 108.800 -0.084 0.000 2.660 322 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.321 322 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.321 322 G C -0.189 174.698 174.900 -0.022 0.000 1.246 322 G CA 0.334 45.410 45.100 -0.040 0.000 1.000 322 G HN 0.612 nan 8.290 nan 0.000 0.550 323 D N 2.275 122.667 120.400 -0.013 0.000 2.365 323 D HA 0.464 5.104 4.640 -0.000 0.000 0.237 323 D C 1.396 177.689 176.300 -0.012 0.000 1.190 323 D CA -0.025 53.970 54.000 -0.009 0.000 0.867 323 D CB 0.830 41.627 40.800 -0.005 0.000 1.050 323 D HN 0.540 nan 8.370 nan 0.000 0.491 324 E N 1.705 121.900 120.200 -0.008 0.000 2.483 324 E HA -0.239 4.111 4.350 -0.000 0.000 0.205 324 E C 1.256 177.844 176.600 -0.019 0.000 1.075 324 E CA 0.631 57.029 56.400 -0.003 0.000 0.889 324 E CB 0.049 29.755 29.700 0.010 0.000 0.816 324 E HN 0.426 nan 8.360 nan 0.000 0.567 325 K N 1.064 121.450 120.400 -0.023 0.000 2.127 325 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 325 K C 0.959 177.524 176.600 -0.059 0.000 1.050 325 K CA 1.783 58.051 56.287 -0.032 0.000 0.929 325 K CB -0.149 32.337 32.500 -0.024 0.000 0.715 325 K HN 0.368 nan 8.250 nan 0.000 0.457 326 D N -1.915 118.440 120.400 -0.075 0.000 3.783 326 D HA -0.053 4.587 4.640 -0.000 0.000 0.249 326 D C -0.879 175.330 176.300 -0.151 0.000 1.271 326 D CA -0.170 53.745 54.000 -0.141 0.000 0.818 326 D CB -0.813 39.915 40.800 -0.119 0.000 1.715 326 D HN -0.031 nan 8.370 nan 0.000 0.497 327 S N 0.457 116.111 115.700 -0.078 0.000 2.475 327 S HA 0.561 5.031 4.470 -0.000 0.000 0.281 327 S C -0.676 174.010 174.600 0.142 0.000 1.198 327 S CA -0.345 57.835 58.200 -0.033 0.000 1.063 327 S CB 0.238 63.396 63.200 -0.070 0.000 0.972 327 S HN 0.249 nan 8.310 nan 0.000 0.486 328 F N 5.760 125.638 119.950 -0.120 0.000 2.403 328 F HA 0.280 4.807 4.527 -0.000 0.000 0.355 328 F C 0.706 176.437 175.800 -0.115 0.000 1.119 328 F CA -1.040 56.914 58.000 -0.077 0.000 1.007 328 F CB 0.992 39.975 39.000 -0.027 0.000 1.194 328 F HN 0.765 nan 8.300 nan 0.000 0.443 329 Y N 3.492 123.710 120.300 -0.138 0.000 2.096 329 Y HA -0.292 4.258 4.550 -0.000 0.000 0.276 329 Y C 2.245 178.031 175.900 -0.191 0.000 1.209 329 Y CA 2.152 60.095 58.100 -0.261 0.000 1.137 329 Y CB -0.709 37.629 38.460 -0.204 0.000 0.956 329 Y HN 0.617 nan 8.280 nan 0.000 0.506 330 G N -1.280 107.576 108.800 0.093 0.000 2.653 330 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.212 330 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.212 330 G C 1.166 176.146 174.900 0.133 0.000 1.138 330 G CA 0.939 46.077 45.100 0.064 0.000 0.782 330 G HN 0.582 nan 8.290 nan 0.000 0.535 331 D N -0.801 119.715 120.400 0.193 0.000 2.271 331 D HA -0.024 4.616 4.640 -0.000 0.000 0.206 331 D C 1.613 178.163 176.300 0.417 0.000 0.967 331 D CA 0.058 54.220 54.000 0.269 0.000 0.867 331 D CB -0.150 40.829 40.800 0.299 0.000 0.960 331 D HN 0.145 nan 8.370 nan 0.000 0.509 332 F N 0.982 120.992 119.950 0.101 0.000 2.502 332 F HA 0.226 4.753 4.527 -0.000 0.000 0.298 332 F C 0.759 176.603 175.800 0.073 0.000 1.111 332 F CA -0.040 58.008 58.000 0.080 0.000 1.445 332 F CB -0.548 38.499 39.000 0.079 0.000 1.081 332 F HN 0.002 nan 8.300 nan 0.000 0.558 333 I N 1.729 122.457 120.570 0.262 0.000 2.471 333 I HA 0.122 4.292 4.170 -0.000 0.000 0.286 333 I C -1.628 174.538 176.117 0.083 0.000 1.079 333 I CA -1.671 59.716 61.300 0.145 0.000 1.398 333 I CB 0.117 38.175 38.000 0.097 0.000 1.403 333 I HN -0.151 nan 8.210 nan 0.000 0.530 334 P HA 0.156 nan 4.420 nan 0.000 0.297 334 P C -1.106 176.193 177.300 -0.001 0.000 1.303 334 P CA -0.462 62.651 63.100 0.021 0.000 0.753 334 P CB 0.468 32.175 31.700 0.012 0.000 1.281 335 D N -0.576 119.815 120.400 -0.016 0.000 2.619 335 D HA 0.070 4.710 4.640 -0.000 0.000 0.241 335 D C 0.082 176.356 176.300 -0.044 0.000 1.087 335 D CA -0.456 53.512 54.000 -0.053 0.000 0.851 335 D CB 1.833 42.600 40.800 -0.056 0.000 1.474 335 D HN 0.370 nan 8.370 nan 0.000 0.478 336 E N 2.665 122.818 120.200 -0.077 0.000 2.228 336 E HA -0.067 4.283 4.350 -0.000 0.000 0.197 336 E C 1.538 178.191 176.600 0.087 0.000 0.909 336 E CA 0.518 56.924 56.400 0.009 0.000 0.911 336 E CB -0.486 29.246 29.700 0.053 0.000 0.887 336 E HN 0.687 nan 8.360 nan 0.000 0.481 337 H N 1.653 120.729 119.070 0.010 0.000 2.352 337 H HA 0.073 4.629 4.556 -0.000 0.000 0.299 337 H C 0.793 176.127 175.328 0.009 0.000 1.097 337 H CA 0.046 56.099 56.048 0.009 0.000 1.311 337 H CB -0.121 29.646 29.762 0.008 0.000 1.377 337 H HN -0.052 nan 8.280 nan 0.000 0.504 338 L N 3.387 124.672 121.223 0.103 0.000 2.534 338 L HA 0.049 4.389 4.340 -0.000 0.000 0.271 338 L C -2.045 174.852 176.870 0.047 0.000 1.178 338 L CA -1.711 53.165 54.840 0.060 0.000 0.907 338 L CB 0.208 42.279 42.059 0.021 0.000 1.164 338 L HN -0.050 nan 8.230 nan 0.000 0.482 339 P HA 0.004 nan 4.420 nan 0.000 0.267 339 P C -0.189 177.125 177.300 0.024 0.000 1.328 339 P CA -0.118 63.001 63.100 0.033 0.000 0.990 339 P CB 0.564 32.282 31.700 0.030 0.000 1.168 340 S N 5.404 121.116 115.700 0.020 0.000 2.544 340 S HA 0.050 4.520 4.470 -0.000 0.000 0.290 340 S C -1.083 173.526 174.600 0.014 0.000 1.276 340 S CA -0.663 57.546 58.200 0.015 0.000 1.075 340 S CB -0.086 63.121 63.200 0.012 0.000 0.849 340 S HN 0.199 nan 8.310 nan 0.000 0.494 341 P HA -0.306 nan 4.420 nan 0.000 0.235 341 P C 1.532 178.839 177.300 0.011 0.000 1.116 341 P CA 2.227 65.334 63.100 0.011 0.000 0.991 341 P CB -0.367 31.338 31.700 0.008 0.000 0.764 342 V N -0.534 119.387 119.914 0.011 0.000 2.370 342 V HA -0.289 3.831 4.120 -0.000 0.000 0.252 342 V C 1.820 177.923 176.094 0.015 0.000 1.068 342 V CA 2.503 64.810 62.300 0.012 0.000 1.061 342 V CB -1.307 30.523 31.823 0.012 0.000 0.656 342 V HN 0.187 nan 8.190 nan 0.000 0.455 343 D N 0.504 120.914 120.400 0.017 0.000 2.183 343 D HA 0.053 4.693 4.640 -0.000 0.000 0.205 343 D C 2.265 178.576 176.300 0.018 0.000 0.962 343 D CA 1.393 55.405 54.000 0.019 0.000 0.849 343 D CB -0.264 40.550 40.800 0.023 0.000 0.978 343 D HN 0.486 nan 8.370 nan 0.000 0.488 344 A N 1.427 124.257 122.820 0.016 0.000 1.933 344 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 344 A C 2.327 179.918 177.584 0.013 0.000 1.175 344 A CA 1.977 54.023 52.037 0.015 0.000 0.628 344 A CB -0.599 18.409 19.000 0.014 0.000 0.814 344 A HN 0.232 nan 8.150 nan 0.000 0.444 345 A N -1.073 121.753 122.820 0.011 0.000 1.969 345 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 345 A C 2.270 179.860 177.584 0.010 0.000 1.169 345 A CA 2.160 54.203 52.037 0.009 0.000 0.635 345 A CB -1.138 17.866 19.000 0.008 0.000 0.810 345 A HN 0.425 nan 8.150 nan 0.000 0.445 346 T N -0.110 114.451 114.554 0.013 0.000 2.595 346 T HA -0.197 4.153 4.350 -0.000 0.000 0.264 346 T C 2.060 176.768 174.700 0.014 0.000 1.058 346 T CA 1.932 64.041 62.100 0.015 0.000 1.166 346 T CB -0.359 68.521 68.868 0.020 0.000 0.863 346 T HN 0.479 nan 8.240 nan 0.000 0.415 347 Q N 0.958 120.767 119.800 0.015 0.000 2.248 347 Q HA -0.111 4.229 4.340 -0.000 0.000 0.208 347 Q C 2.519 178.526 176.000 0.011 0.000 0.984 347 Q CA 1.579 57.390 55.803 0.014 0.000 0.875 347 Q CB -0.486 28.261 28.738 0.014 0.000 0.910 347 Q HN 0.701 nan 8.270 nan 0.000 0.433 348 S N -0.611 115.095 115.700 0.010 0.000 2.335 348 S HA -0.119 4.351 4.470 -0.000 0.000 0.216 348 S C 1.842 176.446 174.600 0.006 0.000 1.032 348 S CA 0.817 59.022 58.200 0.008 0.000 1.000 348 S CB -0.649 62.555 63.200 0.007 0.000 0.928 348 S HN 0.419 nan 8.310 nan 0.000 0.434 349 L N 0.629 121.855 121.223 0.004 0.000 2.046 349 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 349 L C 2.740 179.611 176.870 0.002 0.000 1.077 349 L CA 1.629 56.470 54.840 0.001 0.000 0.747 349 L CB -0.509 41.548 42.059 -0.003 0.000 0.896 349 L HN 0.436 nan 8.230 nan 0.000 0.432 350 L N -0.798 120.429 121.223 0.006 0.000 1.971 350 L HA -0.293 4.047 4.340 -0.000 0.000 0.215 350 L C 2.596 179.472 176.870 0.010 0.000 1.072 350 L CA 2.116 56.962 54.840 0.009 0.000 0.758 350 L CB -0.319 41.749 42.059 0.015 0.000 0.889 350 L HN 0.122 nan 8.230 nan 0.000 0.433 351 S N -0.812 114.894 115.700 0.011 0.000 2.383 351 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 351 S C 1.755 176.361 174.600 0.010 0.000 1.026 351 S CA 1.472 59.679 58.200 0.011 0.000 0.981 351 S CB -0.273 62.934 63.200 0.011 0.000 0.818 351 S HN 0.507 nan 8.310 nan 0.000 0.472 352 E N 0.423 120.628 120.200 0.008 0.000 2.072 352 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 352 E C 2.104 178.709 176.600 0.009 0.000 0.985 352 E CA 0.939 57.344 56.400 0.008 0.000 0.801 352 E CB -0.028 29.675 29.700 0.005 0.000 0.750 352 E HN 0.208 nan 8.360 nan 0.000 0.452 353 E N 0.646 120.850 120.200 0.006 0.000 2.112 353 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 353 E C 1.910 178.519 176.600 0.014 0.000 0.979 353 E CA 0.438 56.842 56.400 0.006 0.000 0.814 353 E CB -0.054 29.642 29.700 -0.007 0.000 0.762 353 E HN 0.172 nan 8.360 nan 0.000 0.460 354 L N 0.256 121.487 121.223 0.014 0.000 2.131 354 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 354 L C 2.119 179.003 176.870 0.024 0.000 1.092 354 L CA 1.233 56.085 54.840 0.021 0.000 0.759 354 L CB -0.102 41.969 42.059 0.019 0.000 0.903 354 L HN 0.142 nan 8.230 nan 0.000 0.435 355 E N -0.039 120.172 120.200 0.019 0.000 2.152 355 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 355 E C 2.124 178.736 176.600 0.021 0.000 0.983 355 E CA 0.933 57.344 56.400 0.018 0.000 0.818 355 E CB 0.207 29.915 29.700 0.014 0.000 0.758 355 E HN 0.259 nan 8.360 nan 0.000 0.467 356 K N -0.308 120.106 120.400 0.023 0.000 2.057 356 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 356 K C 2.117 178.741 176.600 0.040 0.000 1.050 356 K CA 1.009 57.313 56.287 0.028 0.000 0.935 356 K CB -0.088 32.430 32.500 0.030 0.000 0.715 356 K HN 0.099 nan 8.250 nan 0.000 0.439 357 A N 1.450 124.302 122.820 0.054 0.000 1.898 357 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 357 A C 2.080 179.692 177.584 0.047 0.000 1.181 357 A CA 1.010 53.092 52.037 0.075 0.000 0.620 357 A CB -0.516 18.543 19.000 0.099 0.000 0.819 357 A HN 0.211 nan 8.150 nan 0.000 0.442 358 L N 0.827 122.071 121.223 0.036 0.000 2.187 358 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 358 L C 2.691 179.571 176.870 0.017 0.000 1.100 358 L CA 2.474 57.329 54.840 0.025 0.000 0.765 358 L CB -0.354 41.718 42.059 0.021 0.000 0.904 358 L HN 0.548 nan 8.230 nan 0.000 0.437 359 S N -1.692 114.018 115.700 0.016 0.000 2.387 359 S HA -0.037 4.433 4.470 -0.000 0.000 0.221 359 S C 1.479 176.081 174.600 0.004 0.000 1.041 359 S CA 0.073 58.279 58.200 0.009 0.000 0.959 359 S CB -0.428 62.778 63.200 0.010 0.000 0.843 359 S HN 0.329 nan 8.310 nan 0.000 0.488 360 K N 1.822 122.223 120.400 0.003 0.000 2.743 360 K HA 0.369 4.689 4.320 -0.000 0.000 0.219 360 K C 0.227 176.813 176.600 -0.023 0.000 1.003 360 K CA 0.023 56.303 56.287 -0.012 0.000 1.156 360 K CB -0.774 31.715 32.500 -0.017 0.000 0.932 360 K HN 0.457 nan 8.250 nan 0.000 0.490 361 L N -0.608 120.608 121.223 -0.012 0.000 2.218 361 L HA 0.249 4.589 4.340 -0.000 0.000 0.243 361 L C -0.617 176.249 176.870 -0.007 0.000 1.132 361 L CA -0.830 54.002 54.840 -0.013 0.000 1.052 361 L CB 1.903 43.959 42.059 -0.004 0.000 1.599 361 L HN 0.023 nan 8.230 nan 0.000 0.468 362 S N -1.132 114.565 115.700 -0.005 0.000 2.452 362 S HA 0.222 4.692 4.470 -0.000 0.000 0.284 362 S C 0.092 174.693 174.600 0.002 0.000 1.171 362 S CA -0.558 57.640 58.200 -0.002 0.000 1.064 362 S CB 1.010 64.208 63.200 -0.003 0.000 0.967 362 S HN 0.571 nan 8.310 nan 0.000 0.484 363 E N 1.959 122.160 120.200 0.002 0.000 2.461 363 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 363 E C 1.337 177.939 176.600 0.004 0.000 1.129 363 E CA 0.056 56.459 56.400 0.004 0.000 0.902 363 E CB 0.103 29.805 29.700 0.003 0.000 0.963 363 E HN 0.597 nan 8.360 nan 0.000 0.503 364 R N 0.370 120.872 120.500 0.003 0.000 1.802 364 R HA 0.043 4.383 4.340 -0.000 0.000 0.149 364 R C 1.677 177.980 176.300 0.005 0.000 1.595 364 R CA 0.214 56.316 56.100 0.003 0.000 1.574 364 R CB -0.172 30.129 30.300 0.002 0.000 0.923 364 R HN -0.046 nan 8.270 nan 0.000 0.524 365 E N 0.586 120.789 120.200 0.005 0.000 2.409 365 E HA -0.064 4.286 4.350 -0.000 0.000 0.198 365 E C 1.401 178.007 176.600 0.010 0.000 1.024 365 E CA 0.846 57.250 56.400 0.007 0.000 0.861 365 E CB 0.143 29.847 29.700 0.006 0.000 0.788 365 E HN 0.435 nan 8.360 nan 0.000 0.521 366 A N 0.163 122.990 122.820 0.011 0.000 1.878 366 A HA -0.098 4.222 4.320 -0.000 0.000 0.213 366 A C 1.909 179.502 177.584 0.015 0.000 1.192 366 A CA 0.917 52.964 52.037 0.016 0.000 0.619 366 A CB -0.101 18.910 19.000 0.017 0.000 0.837 366 A HN 0.150 nan 8.150 nan 0.000 0.446 367 M N -0.136 119.471 119.600 0.012 0.000 2.254 367 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 367 M C 2.124 178.429 176.300 0.009 0.000 1.066 367 M CA 0.970 56.277 55.300 0.010 0.000 1.123 367 M CB -1.557 31.048 32.600 0.008 0.000 1.388 367 M HN 0.176 nan 8.290 nan 0.000 0.425 368 V N 1.493 121.412 119.914 0.008 0.000 2.252 368 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 368 V C 2.561 178.660 176.094 0.009 0.000 1.056 368 V CA 1.826 64.130 62.300 0.007 0.000 1.022 368 V CB -0.758 31.069 31.823 0.006 0.000 0.641 368 V HN 0.419 nan 8.190 nan 0.000 0.445 369 L N -0.529 120.700 121.223 0.011 0.000 2.313 369 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 369 L C 2.513 179.391 176.870 0.014 0.000 1.119 369 L CA 0.965 55.812 54.840 0.012 0.000 0.809 369 L CB -0.628 41.440 42.059 0.015 0.000 0.933 369 L HN 0.231 nan 8.230 nan 0.000 0.449 370 K N 1.193 121.602 120.400 0.014 0.000 2.076 370 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 370 K C 1.966 178.573 176.600 0.012 0.000 1.051 370 K CA 1.398 57.694 56.287 0.015 0.000 0.949 370 K CB -0.025 32.484 32.500 0.016 0.000 0.726 370 K HN 0.289 nan 8.250 nan 0.000 0.443 371 L N 0.187 121.415 121.223 0.010 0.000 2.102 371 L HA 0.010 4.350 4.340 -0.000 0.000 0.202 371 L C 2.687 179.561 176.870 0.006 0.000 1.076 371 L CA 0.742 55.586 54.840 0.008 0.000 0.761 371 L CB -0.414 41.649 42.059 0.006 0.000 0.921 371 L HN 0.033 nan 8.230 nan 0.000 0.444 372 R N 0.538 121.042 120.500 0.007 0.000 2.096 372 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 372 R C 2.107 178.410 176.300 0.006 0.000 1.127 372 R CA 1.490 57.593 56.100 0.005 0.000 0.968 372 R CB -0.012 30.291 30.300 0.006 0.000 0.861 372 R HN 0.125 nan 8.270 nan 0.000 0.440 373 K N -1.883 118.522 120.400 0.008 0.000 2.190 373 K HA 0.212 4.532 4.320 -0.000 0.000 0.202 373 K C 1.832 178.437 176.600 0.008 0.000 1.045 373 K CA 1.271 57.563 56.287 0.008 0.000 0.976 373 K CB -0.171 32.336 32.500 0.011 0.000 0.849 373 K HN 0.327 nan 8.250 nan 0.000 0.468 374 G N 0.791 109.597 108.800 0.009 0.000 2.838 374 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.210 374 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.210 374 G C 1.372 176.275 174.900 0.006 0.000 1.153 374 G CA 0.054 45.160 45.100 0.009 0.000 0.778 374 G HN 0.142 nan 8.290 nan 0.000 0.539 375 L N -0.772 120.454 121.223 0.005 0.000 2.349 375 L HA 0.512 4.852 4.340 -0.000 0.000 0.200 375 L C 2.050 178.921 176.870 0.001 0.000 1.064 375 L CA 1.087 55.929 54.840 0.004 0.000 0.821 375 L CB 0.039 42.100 42.059 0.004 0.000 1.027 375 L HN 0.144 nan 8.230 nan 0.000 0.476 376 I N -1.743 118.828 120.570 0.001 0.000 3.818 376 I HA 0.265 4.435 4.170 -0.000 0.000 0.242 376 I C -0.511 175.605 176.117 -0.002 0.000 1.111 376 I CA -0.234 61.066 61.300 -0.000 0.000 1.576 376 I CB 0.311 38.311 38.000 0.000 0.000 1.572 376 I HN -0.041 nan 8.210 nan 0.000 0.450 377 D N 0.376 120.776 120.400 -0.001 0.000 2.927 377 D HA 0.408 5.048 4.640 -0.000 0.000 0.219 377 D C -0.292 176.009 176.300 0.000 0.000 1.248 377 D CA 0.318 54.317 54.000 -0.001 0.000 0.861 377 D CB 2.139 42.938 40.800 -0.002 0.000 1.677 377 D HN 0.380 nan 8.370 nan 0.000 0.511 385 E N 0.224 120.426 120.200 0.002 0.000 2.095 385 E HA -0.174 4.176 4.350 -0.000 0.000 0.212 385 E C 2.557 179.159 176.600 0.002 0.000 1.044 385 E CA 3.826 60.227 56.400 0.002 0.000 0.857 385 E CB -1.476 28.225 29.700 0.002 0.000 0.764 385 E HN 1.861 nan 8.360 nan 0.000 0.462 386 V N 0.616 120.531 119.914 0.001 0.000 2.255 386 V HA 0.121 4.241 4.120 -0.000 0.000 0.247 386 V C 2.884 178.978 176.094 0.001 0.000 1.051 386 V CA 3.139 65.439 62.300 0.001 0.000 1.018 386 V CB -1.182 30.641 31.823 0.000 0.000 0.641 386 V HN 0.660 nan 8.190 nan 0.000 0.445 387 G N -1.175 107.626 108.800 0.001 0.000 2.776 387 G HA2 0.226 4.186 3.960 -0.000 0.000 0.209 387 G HA3 0.226 4.186 3.960 -0.000 0.000 0.209 387 G C 1.456 176.357 174.900 0.002 0.000 1.145 387 G CA 1.255 46.356 45.100 0.001 0.000 0.791 387 G HN 0.984 nan 8.290 nan 0.000 0.530 388 A N -0.093 122.728 122.820 0.002 0.000 1.903 388 A HA 0.551 4.871 4.320 -0.000 0.000 0.213 388 A C 1.251 178.837 177.584 0.003 0.000 1.185 388 A CA 0.937 52.976 52.037 0.003 0.000 0.628 388 A CB -0.400 18.602 19.000 0.004 0.000 0.830 388 A HN 0.676 nan 8.150 nan 0.000 0.446 389 F N -1.952 118.000 119.950 0.002 0.000 2.385 389 F HA 0.537 5.064 4.527 -0.000 0.000 0.336 389 F C 1.408 177.209 175.800 0.002 0.000 1.100 389 F CA -1.415 56.586 58.000 0.002 0.000 1.116 389 F CB -0.869 38.133 39.000 0.002 0.000 1.166 389 F HN 0.581 nan 8.300 nan 0.000 0.511 390 F N 1.245 121.196 119.950 0.002 0.000 2.036 390 F HA 0.184 4.711 4.527 -0.000 0.000 0.303 390 F C 2.158 177.958 175.800 0.001 0.000 1.294 390 F CA 2.500 60.501 58.000 0.001 0.000 1.210 390 F CB -1.204 37.796 39.000 0.001 0.000 0.937 390 F HN 0.922 nan 8.300 nan 0.000 0.538 391 G N -0.799 108.002 108.800 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 0.518 175.418 174.900 0.000 0.000 1.139 391 G CA 0.733 45.833 45.100 0.000 0.000 0.812 391 G HN 0.697 nan 8.290 nan 0.000 0.529 392 V N 3.178 123.092 119.914 0.000 0.000 2.529 392 V HA 0.190 4.310 4.120 -0.000 0.000 0.292 392 V C 1.037 177.131 176.094 0.000 0.000 1.028 392 V CA -0.345 61.955 62.300 0.000 0.000 1.074 392 V CB 0.150 31.973 31.823 0.000 0.000 0.958 392 V HN 0.250 nan 8.190 nan 0.000 0.481 393 T N 4.409 118.963 114.554 -0.000 0.000 2.652 393 T HA 0.023 4.373 4.350 -0.000 0.000 0.345 393 T C 1.436 176.136 174.700 0.000 0.000 1.051 393 T CA -0.140 61.960 62.100 -0.000 0.000 1.021 393 T CB 0.465 69.332 68.868 -0.000 0.000 1.141 393 T HN 0.648 nan 8.240 nan 0.000 0.518 394 R N 0.100 120.600 120.500 0.000 0.000 2.075 394 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 394 R C 2.498 178.798 176.300 -0.000 0.000 1.126 394 R CA 1.382 57.482 56.100 0.000 0.000 0.963 394 R CB -0.290 30.011 30.300 -0.000 0.000 0.858 394 R HN 0.599 nan 8.270 nan 0.000 0.435 395 E N 0.327 120.527 120.200 -0.001 0.000 2.118 395 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 395 E C 1.824 178.423 176.600 -0.001 0.000 0.992 395 E CA 1.434 57.833 56.400 -0.001 0.000 0.804 395 E CB 0.073 29.772 29.700 -0.002 0.000 0.741 395 E HN 0.160 nan 8.360 nan 0.000 0.458 396 R N -0.551 119.948 120.500 -0.001 0.000 2.200 396 R HA 0.079 4.419 4.340 -0.000 0.000 0.208 396 R C 2.244 178.544 176.300 0.000 0.000 1.033 396 R CA 0.638 56.738 56.100 -0.001 0.000 1.000 396 R CB -0.091 30.208 30.300 -0.001 0.000 0.906 396 R HN 0.275 nan 8.270 nan 0.000 0.462 397 I N 0.620 121.191 120.570 0.001 0.000 2.072 397 I HA -0.313 3.857 4.170 -0.000 0.000 0.235 397 I C 2.804 178.923 176.117 0.003 0.000 1.058 397 I CA 1.206 62.508 61.300 0.002 0.000 1.320 397 I CB -0.443 37.558 38.000 0.002 0.000 1.047 397 I HN 0.093 nan 8.210 nan 0.000 0.397 398 R N 1.049 121.550 120.500 0.002 0.000 2.117 398 R HA -0.235 4.105 4.340 -0.000 0.000 0.243 398 R C 2.131 178.432 176.300 0.000 0.000 1.143 398 R CA 1.766 57.867 56.100 0.001 0.000 0.968 398 R CB -0.553 29.747 30.300 0.000 0.000 0.863 398 R HN 0.458 nan 8.270 nan 0.000 0.444 399 Q N 0.531 120.331 119.800 -0.001 0.000 1.985 399 Q HA -0.153 4.187 4.340 -0.000 0.000 0.207 399 Q C 2.296 178.295 176.000 -0.001 0.000 0.996 399 Q CA 2.176 57.978 55.803 -0.002 0.000 0.851 399 Q CB -0.210 28.526 28.738 -0.003 0.000 0.921 399 Q HN 0.483 nan 8.270 nan 0.000 0.418 400 I N -0.002 120.569 120.570 0.001 0.000 2.584 400 I HA -0.173 3.997 4.170 -0.000 0.000 0.255 400 I C 2.411 178.532 176.117 0.006 0.000 1.145 400 I CA 0.654 61.956 61.300 0.002 0.000 1.462 400 I CB -0.310 37.691 38.000 0.002 0.000 1.102 400 I HN 0.288 nan 8.210 nan 0.000 0.433 401 E N 2.108 122.312 120.200 0.007 0.000 2.021 401 E HA -0.278 4.072 4.350 -0.000 0.000 0.200 401 E C 1.876 178.484 176.600 0.014 0.000 1.015 401 E CA 2.072 58.478 56.400 0.011 0.000 0.824 401 E CB -0.056 29.650 29.700 0.010 0.000 0.762 401 E HN 0.360 nan 8.360 nan 0.000 0.454 402 N N 0.059 118.764 118.700 0.009 0.000 2.309 402 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 402 N C 1.543 177.056 175.510 0.004 0.000 1.018 402 N CA 0.834 53.888 53.050 0.007 0.000 0.876 402 N CB -0.053 38.434 38.487 -0.000 0.000 0.972 402 N HN 0.140 nan 8.380 nan 0.000 0.434 403 K N 0.814 121.215 120.400 0.002 0.000 2.166 403 K HA 0.198 4.518 4.320 -0.000 0.000 0.201 403 K C 1.821 178.427 176.600 0.009 0.000 1.052 403 K CA 0.375 56.660 56.287 -0.002 0.000 0.969 403 K CB -0.014 32.482 32.500 -0.006 0.000 0.761 403 K HN 0.076 nan 8.250 nan 0.000 0.459 404 A N 0.984 123.813 122.820 0.014 0.000 1.898 404 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 404 A C 2.116 179.728 177.584 0.046 0.000 1.183 404 A CA 0.781 52.832 52.037 0.022 0.000 0.622 404 A CB -0.466 18.544 19.000 0.017 0.000 0.824 404 A HN 0.181 nan 8.150 nan 0.000 0.444 405 L N -0.197 121.052 121.223 0.044 0.000 2.127 405 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 405 L C 2.456 179.374 176.870 0.079 0.000 1.089 405 L CA 1.682 56.557 54.840 0.059 0.000 0.757 405 L CB -0.277 41.809 42.059 0.045 0.000 0.899 405 L HN 0.312 nan 8.230 nan 0.000 0.434 406 R N -1.426 119.112 120.500 0.063 0.000 2.112 406 R HA -0.037 4.303 4.340 -0.000 0.000 0.216 406 R C 2.174 178.551 176.300 0.128 0.000 1.080 406 R CA 0.568 56.712 56.100 0.073 0.000 0.996 406 R CB -0.090 30.206 30.300 -0.007 0.000 0.902 406 R HN 0.126 nan 8.270 nan 0.000 0.449 407 K N 0.790 121.252 120.400 0.103 0.000 2.097 407 K HA -0.015 4.305 4.320 -0.000 0.000 0.205 407 K C 1.935 178.702 176.600 0.278 0.000 1.050 407 K CA 0.803 57.172 56.287 0.136 0.000 0.938 407 K CB -0.112 32.414 32.500 0.044 0.000 0.718 407 K HN 0.003 nan 8.250 nan 0.000 0.442 408 L N 1.223 122.597 121.223 0.252 0.000 2.046 408 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 408 L C 2.219 179.261 176.870 0.286 0.000 1.077 408 L CA 1.895 56.972 54.840 0.396 0.000 0.747 408 L CB -0.923 41.263 42.059 0.212 0.000 0.896 408 L HN 0.355 nan 8.230 nan 0.000 0.432 409 K N -1.474 119.045 120.400 0.199 0.000 2.062 409 K HA -0.213 4.107 4.320 -0.000 0.000 0.205 409 K C 2.132 178.820 176.600 0.146 0.000 1.051 409 K CA 1.254 57.620 56.287 0.132 0.000 0.941 409 K CB -0.495 32.107 32.500 0.170 0.000 0.719 409 K HN 0.036 nan 8.250 nan 0.000 0.440 410 Y N 2.032 122.368 120.300 0.060 0.000 2.457 410 Y HA -0.100 4.450 4.550 -0.000 0.000 0.292 410 Y C 2.407 178.345 175.900 0.063 0.000 1.125 410 Y CA 1.253 59.381 58.100 0.046 0.000 1.254 410 Y CB -0.066 38.426 38.460 0.053 0.000 1.012 410 Y HN 0.407 nan 8.280 nan 0.000 0.555 411 H N -2.365 116.748 119.070 0.072 0.000 2.525 411 H HA 0.054 4.610 4.556 -0.000 0.000 0.275 411 H C 1.272 176.581 175.328 -0.032 0.000 0.984 411 H CA 0.995 57.051 56.048 0.012 0.000 1.264 411 H CB 0.056 29.835 29.762 0.028 0.000 1.432 411 H HN 0.137 nan 8.280 nan 0.000 0.549 412 E N 1.190 121.010 120.200 -0.633 0.000 2.418 412 E HA 0.012 4.362 4.350 -0.000 0.000 0.197 412 E C 1.870 178.299 176.600 -0.286 0.000 1.026 412 E CA 0.252 56.352 56.400 -0.500 0.000 0.862 412 E CB 0.229 29.694 29.700 -0.392 0.000 0.799 412 E HN 0.439 nan 8.360 nan 0.000 0.518 413 S N 0.055 115.595 115.700 -0.267 0.000 2.406 413 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 413 S C 1.742 176.202 174.600 -0.233 0.000 1.030 413 S CA 0.229 58.254 58.200 -0.291 0.000 0.958 413 S CB 0.306 63.201 63.200 -0.507 0.000 0.811 413 S HN 0.241 nan 8.310 nan 0.000 0.489 414 R N 1.295 121.683 120.500 -0.186 0.000 2.078 414 R HA 0.014 4.354 4.340 -0.000 0.000 0.224 414 R C 0.609 176.848 176.300 -0.102 0.000 1.149 414 R CA 1.077 57.110 56.100 -0.113 0.000 0.916 414 R CB -1.456 28.818 30.300 -0.044 0.000 0.821 414 R HN 0.173 nan 8.270 nan 0.000 0.434 415 T N 3.810 118.306 114.554 -0.097 0.000 3.455 415 T HA 0.128 4.478 4.350 -0.000 0.000 0.286 415 T C 0.140 174.765 174.700 -0.125 0.000 1.157 415 T CA -0.171 61.876 62.100 -0.087 0.000 1.090 415 T CB 0.008 68.843 68.868 -0.055 0.000 1.112 415 T HN 0.013 nan 8.240 nan 0.000 0.779 416 R N 3.029 123.454 120.500 -0.124 0.000 2.543 416 R HA 0.092 4.432 4.340 -0.000 0.000 0.348 416 R C 0.946 177.170 176.300 -0.126 0.000 0.981 416 R CA 0.388 56.402 56.100 -0.143 0.000 1.019 416 R CB 0.049 30.269 30.300 -0.134 0.000 0.944 416 R HN 0.609 nan 8.270 nan 0.000 0.425 417 K N 1.397 121.714 120.400 -0.138 0.000 2.443 417 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 417 K C 1.331 177.855 176.600 -0.128 0.000 1.278 417 K CA 0.022 56.242 56.287 -0.112 0.000 0.925 417 K CB 0.355 32.801 32.500 -0.091 0.000 1.225 417 K HN 0.098 nan 8.250 nan 0.000 0.514 418 L N 1.231 122.359 121.223 -0.159 0.000 2.202 418 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 418 L C 2.135 178.822 176.870 -0.305 0.000 1.083 418 L CA 1.147 55.883 54.840 -0.174 0.000 0.790 418 L CB -0.445 41.527 42.059 -0.144 0.000 0.942 418 L HN 0.031 nan 8.230 nan 0.000 0.452 419 R N 0.930 121.210 120.500 -0.367 0.000 2.162 419 R HA -0.249 4.091 4.340 -0.000 0.000 0.245 419 R C 0.705 176.534 176.300 -0.784 0.000 1.129 419 R CA 1.875 57.621 56.100 -0.590 0.000 0.940 419 R CB -1.494 28.585 30.300 -0.369 0.000 0.875 419 R HN 0.225 nan 8.270 nan 0.000 0.437 420 D N 1.146 121.309 120.400 -0.396 0.000 2.426 420 D HA -0.075 4.565 4.640 -0.000 0.000 0.271 420 D C -0.616 175.574 176.300 -0.184 0.000 1.376 420 D CA 0.190 54.046 54.000 -0.240 0.000 1.149 420 D CB -0.573 40.157 40.800 -0.115 0.000 1.118 420 D HN 0.170 nan 8.370 nan 0.000 0.529 421 F N 2.733 122.675 119.950 -0.014 0.000 2.433 421 F HA -0.152 4.375 4.527 -0.000 0.000 0.398 421 F C 1.947 177.742 175.800 -0.008 0.000 1.002 421 F CA -0.262 57.733 58.000 -0.010 0.000 1.053 421 F CB 0.216 39.212 39.000 -0.007 0.000 0.928 421 F HN 0.269 nan 8.300 nan 0.000 0.529 422 L N 1.219 122.524 121.223 0.138 0.000 2.447 422 L HA -0.118 4.222 4.340 -0.000 0.000 0.225 422 L C 0.615 177.542 176.870 0.095 0.000 1.148 422 L CA 0.959 55.849 54.840 0.082 0.000 0.808 422 L CB -0.624 41.467 42.059 0.052 0.000 0.928 422 L HN 0.639 nan 8.230 nan 0.000 0.448 423 D N 0.000 120.485 120.400 0.142 0.000 6.856 423 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 423 D CA 0.000 54.055 54.000 0.092 0.000 0.868 423 D CB 0.000 40.836 40.800 0.060 0.000 0.688 423 D HN 0.000 nan 8.370 nan 0.000 0.683