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 1t6g_1_B DATA FIRST_RESID 1 DATA SEQUENCE LPVLAPVTKD PATSLYTIPF HDGASLVLDV AGPLVWSTcD GGQPPAEIPC DATA SEQUENCE SSPTcLLANA YPAPGcPAXX XXXXXXXXPc TAYPYNPVSG AcAAGSLSHT DATA SEQUENCE RFVANTTDGS KPVSKVNVGV LAAcAPSKLL ASLPRGSTGV AGLANSGLAL DATA SEQUENCE PAQVASAQKV ANRFLLcLPT GGPGVAIFGG GPVPWPQFTQ SMPYTPLVTK DATA SEQUENCE GGSPAHYISA RSIVVGDTRV PVPEGALATG GVMLSTRLPY VLLRPDVYRP DATA SEQUENCE LMDAFTKALA AQXXXGAPVA RAVEAVAPFG VcYDTKTLGN NLGGYAVPNV DATA SEQUENCE QLGLDGGSDW TMTGKNSMVD VKQGTAcVAF VEMKGVAAGD GRAPAVILGG DATA SEQUENCE AQMEDFVLDF DMEKKRLGFS RLPHFTGcGG L 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.895 176.870 0.041 0.000 1.165 1 L CA 0.000 54.853 54.840 0.021 0.000 0.813 1 L CB 0.000 42.064 42.059 0.008 0.000 0.961 2 P HA 0.155 nan 4.420 nan 0.000 0.270 2 P C -1.125 176.231 177.300 0.094 0.000 1.227 2 P CA -0.286 62.869 63.100 0.091 0.000 0.788 2 P CB 0.542 32.288 31.700 0.076 0.000 0.926 3 V N 2.362 122.378 119.914 0.169 0.000 2.435 3 V HA 0.355 4.475 4.120 -0.000 0.000 0.290 3 V C -0.039 176.192 176.094 0.228 0.000 1.030 3 V CA -0.539 61.859 62.300 0.164 0.000 0.881 3 V CB 1.248 33.185 31.823 0.191 0.000 0.983 3 V HN 0.344 nan 8.190 nan 0.000 0.445 4 L N 4.949 126.250 121.223 0.130 0.000 2.322 4 L HA 0.965 5.305 4.340 -0.000 0.000 0.281 4 L C -0.116 176.850 176.870 0.160 0.000 1.014 4 L CA -0.079 54.840 54.840 0.130 0.000 0.815 4 L CB 1.394 43.498 42.059 0.073 0.000 1.247 4 L HN 0.766 nan 8.230 nan 0.000 0.421 5 A N 6.005 128.961 122.820 0.227 0.000 2.449 5 A HA 0.916 5.236 4.320 -0.000 0.000 0.302 5 A C -2.915 174.779 177.584 0.184 0.000 1.048 5 A CA -1.408 50.773 52.037 0.241 0.000 0.708 5 A CB 1.443 20.703 19.000 0.433 0.000 1.274 5 A HN 0.567 nan 8.150 nan 0.000 0.410 6 P HA 0.388 nan 4.420 nan 0.000 0.278 6 P C -0.695 176.682 177.300 0.128 0.000 1.238 6 P CA -0.106 63.068 63.100 0.123 0.000 0.794 6 P CB 1.301 33.062 31.700 0.100 0.000 0.955 7 V N 3.067 123.049 119.914 0.113 0.000 2.417 7 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 7 V C 0.414 176.580 176.094 0.120 0.000 1.024 7 V CA -0.142 62.230 62.300 0.120 0.000 0.861 7 V CB 1.608 33.495 31.823 0.106 0.000 0.985 7 V HN 0.549 nan 8.190 nan 0.000 0.436 8 T N 4.930 119.557 114.554 0.122 0.000 2.797 8 T HA 0.343 4.693 4.350 -0.000 0.000 0.279 8 T C -0.224 174.544 174.700 0.112 0.000 0.991 8 T CA -0.548 61.611 62.100 0.098 0.000 0.979 8 T CB 1.177 70.080 68.868 0.059 0.000 0.943 8 T HN 0.631 nan 8.240 nan 0.000 0.444 9 K N 2.886 123.345 120.400 0.099 0.000 2.285 9 K HA 0.165 4.485 4.320 -0.000 0.000 0.286 9 K C -0.476 176.074 176.600 -0.083 0.000 1.072 9 K CA -0.551 55.709 56.287 -0.045 0.000 0.913 9 K CB 0.466 32.966 32.500 0.000 0.000 1.067 9 K HN 0.518 nan 8.250 nan 0.000 0.479 10 D N 5.843 126.161 120.400 -0.137 0.000 2.371 10 D HA 0.079 4.719 4.640 -0.000 0.000 0.256 10 D C -1.775 174.473 176.300 -0.087 0.000 1.193 10 D CA -1.968 51.978 54.000 -0.091 0.000 0.881 10 D CB 1.439 42.181 40.800 -0.096 0.000 1.143 10 D HN 0.318 nan 8.370 nan 0.000 0.473 11 P HA -0.159 nan 4.420 nan 0.000 0.215 11 P C 0.861 178.142 177.300 -0.031 0.000 1.157 11 P CA 1.560 64.640 63.100 -0.033 0.000 0.868 11 P CB 0.124 31.815 31.700 -0.015 0.000 0.788 12 A N -0.832 121.970 122.820 -0.030 0.000 1.930 12 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 12 A C 2.115 179.682 177.584 -0.028 0.000 1.175 12 A CA 2.381 54.406 52.037 -0.021 0.000 0.627 12 A CB -1.639 17.351 19.000 -0.017 0.000 0.815 12 A HN 0.368 nan 8.150 nan 0.000 0.443 13 T N -6.005 108.516 114.554 -0.055 0.000 2.990 13 T HA 0.248 4.598 4.350 -0.000 0.000 0.250 13 T C 0.805 175.444 174.700 -0.102 0.000 1.041 13 T CA 1.003 63.063 62.100 -0.067 0.000 1.010 13 T CB 0.101 68.923 68.868 -0.077 0.000 1.003 13 T HN 0.619 nan 8.240 nan 0.000 0.499 14 S N 0.414 116.029 115.700 -0.142 0.000 3.261 14 S HA -0.123 4.347 4.470 -0.000 0.000 0.287 14 S C 0.175 174.499 174.600 -0.461 0.000 1.281 14 S CA 0.502 58.563 58.200 -0.233 0.000 1.053 14 S CB -2.187 60.941 63.200 -0.119 0.000 1.251 14 S HN 0.670 nan 8.310 nan 0.000 0.659 15 L N 0.490 121.490 121.223 -0.371 0.000 2.421 15 L HA 0.527 4.867 4.340 -0.000 0.000 0.263 15 L C 0.109 176.681 176.870 -0.497 0.000 1.122 15 L CA -0.570 54.037 54.840 -0.389 0.000 0.804 15 L CB 0.360 42.312 42.059 -0.178 0.000 1.150 15 L HN 0.158 nan 8.230 nan 0.000 0.457 16 Y N -0.483 119.795 120.300 -0.037 0.000 2.352 16 Y HA 0.489 5.039 4.550 -0.000 0.000 0.339 16 Y C 0.492 176.367 175.900 -0.041 0.000 0.992 16 Y CA -0.871 57.215 58.100 -0.024 0.000 1.100 16 Y CB 1.834 40.289 38.460 -0.009 0.000 1.192 16 Y HN 0.510 nan 8.280 nan 0.000 0.458 17 T N 1.582 116.194 114.554 0.097 0.000 2.924 17 T HA 0.871 5.220 4.350 -0.000 0.000 0.291 17 T C -0.636 174.107 174.700 0.073 0.000 1.045 17 T CA -0.867 61.254 62.100 0.035 0.000 1.015 17 T CB 1.562 70.425 68.868 -0.008 0.000 1.103 17 T HN 0.607 nan 8.240 nan 0.000 0.496 18 I N -1.710 118.897 120.570 0.062 0.000 2.740 18 I HA 0.731 4.901 4.170 -0.000 0.000 0.303 18 I C -3.112 173.088 176.117 0.139 0.000 1.044 18 I CA -3.457 57.922 61.300 0.132 0.000 1.064 18 I CB 2.106 40.231 38.000 0.208 0.000 1.249 18 I HN 0.315 nan 8.210 nan 0.000 0.433 19 P HA 0.142 nan 4.420 nan 0.000 0.271 19 P C -0.618 176.870 177.300 0.313 0.000 1.216 19 P CA 0.024 63.234 63.100 0.183 0.000 0.771 19 P CB 0.611 32.399 31.700 0.146 0.000 0.864 20 F N 2.748 122.717 119.950 0.032 0.000 2.479 20 F HA 0.177 4.704 4.527 -0.000 0.000 0.280 20 F C 1.068 176.895 175.800 0.045 0.000 0.982 20 F CA 1.194 59.200 58.000 0.010 0.000 1.276 20 F CB 0.230 39.048 39.000 -0.303 0.000 1.137 20 F HN 0.471 nan 8.300 nan 0.000 0.660 21 H N -3.482 115.652 119.070 0.106 0.000 2.887 21 H HA 0.188 4.744 4.556 -0.000 0.000 0.290 21 H C -0.884 174.474 175.328 0.049 0.000 1.429 21 H CA -0.439 55.600 56.048 -0.014 0.000 1.137 21 H CB 0.290 29.974 29.762 -0.130 0.000 1.824 21 H HN -0.087 nan 8.280 nan 0.000 0.520 22 D N 0.363 120.910 120.400 0.247 0.000 2.733 22 D HA -0.216 4.424 4.640 -0.000 0.000 0.232 22 D C 1.408 177.802 176.300 0.158 0.000 1.161 22 D CA 2.084 56.187 54.000 0.171 0.000 0.653 22 D CB -1.508 39.385 40.800 0.155 0.000 1.052 22 D HN 1.062 nan 8.370 nan 0.000 0.424 23 G N -0.919 107.957 108.800 0.126 0.000 2.257 23 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 23 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 23 G C 0.558 175.516 174.900 0.097 0.000 0.984 23 G CA 0.943 46.100 45.100 0.095 0.000 0.626 23 G HN 1.183 nan 8.290 nan 0.000 0.540 24 A N 0.233 123.132 122.820 0.132 0.000 2.425 24 A HA 0.709 5.029 4.320 -0.000 0.000 0.249 24 A C 0.779 178.401 177.584 0.063 0.000 1.084 24 A CA 1.093 53.184 52.037 0.090 0.000 0.781 24 A CB 0.515 19.584 19.000 0.115 0.000 1.019 24 A HN 1.970 nan 8.150 nan 0.000 0.490 25 S N 1.808 117.514 115.700 0.011 0.000 2.607 25 S HA 0.829 5.299 4.470 -0.000 0.000 0.303 25 S C -0.609 173.912 174.600 -0.131 0.000 1.086 25 S CA -0.748 57.444 58.200 -0.013 0.000 0.995 25 S CB 1.030 64.227 63.200 -0.005 0.000 1.084 25 S HN 0.607 nan 8.310 nan 0.000 0.507 26 L N 1.546 122.658 121.223 -0.184 0.000 2.354 26 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 26 L C -0.772 175.946 176.870 -0.252 0.000 1.005 26 L CA -1.343 53.291 54.840 -0.345 0.000 0.819 26 L CB 2.126 43.846 42.059 -0.565 0.000 1.311 26 L HN 0.504 nan 8.230 nan 0.000 0.423 27 V N 3.477 123.213 119.914 -0.296 0.000 2.488 27 V HA 0.154 4.274 4.120 -0.000 0.000 0.277 27 V C 0.378 176.356 176.094 -0.193 0.000 1.046 27 V CA -0.361 61.818 62.300 -0.201 0.000 0.986 27 V CB 1.126 32.825 31.823 -0.207 0.000 0.989 27 V HN 0.445 nan 8.190 nan 0.000 0.475 28 L N 4.783 125.954 121.223 -0.088 0.000 2.361 28 L HA 0.327 4.667 4.340 -0.000 0.000 0.278 28 L C -0.029 176.801 176.870 -0.068 0.000 1.113 28 L CA 0.103 54.894 54.840 -0.082 0.000 0.849 28 L CB 0.335 42.387 42.059 -0.013 0.000 1.155 28 L HN 0.627 nan 8.230 nan 0.000 0.452 29 D N 2.618 122.953 120.400 -0.109 0.000 2.420 29 D HA 0.171 4.811 4.640 -0.000 0.000 0.255 29 D C 0.684 176.943 176.300 -0.069 0.000 1.185 29 D CA -0.583 53.377 54.000 -0.068 0.000 0.904 29 D CB 1.725 42.489 40.800 -0.061 0.000 1.102 29 D HN 0.258 nan 8.370 nan 0.000 0.534 30 V N 2.019 121.905 119.914 -0.046 0.000 3.241 30 V HA 0.157 4.277 4.120 -0.000 0.000 0.269 30 V C 1.360 177.474 176.094 0.034 0.000 1.151 30 V CA 1.515 63.802 62.300 -0.020 0.000 1.158 30 V CB -0.490 31.323 31.823 -0.017 0.000 0.764 30 V HN 0.455 nan 8.190 nan 0.000 0.508 31 A N 0.309 123.118 122.820 -0.019 0.000 2.390 31 A HA 0.634 4.954 4.320 -0.000 0.000 0.232 31 A C 1.345 178.889 177.584 -0.068 0.000 1.233 31 A CA 0.437 52.434 52.037 -0.067 0.000 0.907 31 A CB -0.414 18.546 19.000 -0.067 0.000 0.967 31 A HN 0.729 nan 8.150 nan 0.000 0.512 32 G N 0.769 109.550 108.800 -0.031 0.000 2.370 32 G HA2 0.465 4.425 3.960 -0.000 0.000 0.272 32 G HA3 0.465 4.425 3.960 -0.000 0.000 0.272 32 G C -1.460 173.419 174.900 -0.036 0.000 1.208 32 G CA -0.972 44.131 45.100 0.005 0.000 0.856 32 G HN 0.099 nan 8.290 nan 0.000 0.500 33 P HA 0.133 nan 4.420 nan 0.000 0.245 33 P C 0.226 177.558 177.300 0.054 0.000 1.203 33 P CA 0.288 63.388 63.100 -0.000 0.000 0.792 33 P CB 0.711 32.433 31.700 0.037 0.000 0.997 34 L N -0.579 120.694 121.223 0.082 0.000 2.341 34 L HA 0.449 4.789 4.340 -0.000 0.000 0.267 34 L C -0.232 176.655 176.870 0.027 0.000 1.009 34 L CA -1.383 53.514 54.840 0.095 0.000 0.819 34 L CB 2.791 44.964 42.059 0.189 0.000 1.323 34 L HN -0.421 nan 8.230 nan 0.000 0.425 35 V N 1.610 121.508 119.914 -0.026 0.000 2.432 35 V HA 0.381 4.501 4.120 -0.000 0.000 0.275 35 V C -0.647 175.447 176.094 -0.001 0.000 1.043 35 V CA -0.306 61.902 62.300 -0.152 0.000 0.925 35 V CB 0.986 32.684 31.823 -0.208 0.000 0.985 35 V HN 0.741 nan 8.190 nan 0.000 0.466 36 W N 3.310 124.496 121.300 -0.191 0.000 3.127 36 W HA 0.832 5.492 4.660 -0.000 0.000 0.330 36 W C -1.097 175.313 176.519 -0.181 0.000 1.187 36 W CA -0.834 56.426 57.345 -0.142 0.000 1.198 36 W CB 1.727 31.137 29.460 -0.084 0.000 1.408 36 W HN 0.533 nan 8.180 nan 0.000 0.529 37 S N 0.896 116.754 115.700 0.263 0.000 2.596 37 S HA 0.546 5.016 4.470 -0.000 0.000 0.270 37 S C -0.289 174.461 174.600 0.251 0.000 1.155 37 S CA -0.223 58.059 58.200 0.137 0.000 0.827 37 S CB 1.341 64.523 63.200 -0.029 0.000 1.130 37 S HN 0.664 nan 8.310 nan 0.000 0.467 38 T N 0.427 115.102 114.554 0.200 0.000 2.855 38 T HA 0.524 4.874 4.350 -0.000 0.000 0.314 38 T C 0.171 174.951 174.700 0.133 0.000 1.077 38 T CA -0.246 61.943 62.100 0.147 0.000 1.095 38 T CB -0.336 68.602 68.868 0.117 0.000 0.987 38 T HN 0.631 nan 8.240 nan 0.000 0.546 39 c N 2.452 121.113 118.600 0.103 0.000 3.080 39 c HA 0.826 5.396 4.570 -0.000 0.000 0.307 39 c C -0.199 173.931 174.090 0.068 0.000 1.311 39 c CA -0.643 55.744 56.329 0.097 0.000 1.533 39 c CB 1.922 44.480 42.510 0.080 0.000 1.970 39 c HN 1.191 nan 8.230 nan 0.000 0.467 40 D N -0.330 120.106 120.400 0.060 0.000 2.961 40 D HA 0.398 5.038 4.640 -0.000 0.000 0.257 40 D C 1.123 177.440 176.300 0.028 0.000 1.211 40 D CA 0.132 54.154 54.000 0.038 0.000 1.066 40 D CB -0.148 40.673 40.800 0.035 0.000 1.291 40 D HN 0.596 nan 8.370 nan 0.000 0.629 41 G N -1.180 107.631 108.800 0.019 0.000 2.559 41 G HA2 0.046 4.006 3.960 -0.000 0.000 0.216 41 G HA3 0.046 4.006 3.960 -0.000 0.000 0.216 41 G C 1.265 176.173 174.900 0.013 0.000 1.126 41 G CA 0.640 45.748 45.100 0.014 0.000 0.778 41 G HN 0.580 nan 8.290 nan 0.000 0.543 42 G N -0.575 108.231 108.800 0.009 0.000 2.534 42 G HA2 0.088 4.048 3.960 -0.000 0.000 0.217 42 G HA3 0.088 4.048 3.960 -0.000 0.000 0.217 42 G C 0.791 175.703 174.900 0.020 0.000 1.128 42 G CA 0.136 45.235 45.100 -0.002 0.000 0.784 42 G HN 0.454 nan 8.290 nan 0.000 0.542 43 Q N 1.079 120.904 119.800 0.041 0.000 2.644 43 Q HA 0.296 4.635 4.340 -0.000 0.000 0.245 43 Q C -2.504 173.519 176.000 0.039 0.000 1.064 43 Q CA -1.875 53.967 55.803 0.064 0.000 0.860 43 Q CB 2.400 31.195 28.738 0.097 0.000 1.145 43 Q HN 0.199 nan 8.270 nan 0.000 0.515 44 P HA 0.182 nan 4.420 nan 0.000 0.275 44 P C -2.590 174.689 177.300 -0.035 0.000 1.228 44 P CA -1.601 61.508 63.100 0.014 0.000 0.786 44 P CB 0.529 32.252 31.700 0.039 0.000 0.927 45 P HA 0.071 nan 4.420 nan 0.000 0.267 45 P C -0.139 177.077 177.300 -0.139 0.000 1.205 45 P CA 0.140 63.185 63.100 -0.090 0.000 0.765 45 P CB 0.247 31.913 31.700 -0.057 0.000 0.828 46 A N 4.088 126.755 122.820 -0.256 0.000 2.445 46 A HA 0.133 4.453 4.320 -0.000 0.000 0.242 46 A C 1.015 178.543 177.584 -0.093 0.000 1.075 46 A CA -0.427 51.429 52.037 -0.302 0.000 0.777 46 A CB -0.083 18.654 19.000 -0.439 0.000 1.013 46 A HN 0.604 nan 8.150 nan 0.000 0.493 47 E N 2.309 122.502 120.200 -0.011 0.000 2.127 47 E HA 0.097 4.447 4.350 -0.000 0.000 0.295 47 E C -0.829 175.778 176.600 0.012 0.000 1.155 47 E CA 0.585 56.994 56.400 0.015 0.000 1.201 47 E CB -0.948 28.780 29.700 0.046 0.000 1.083 47 E HN 0.415 nan 8.360 nan 0.000 0.472 48 I N 3.635 124.200 120.570 -0.009 0.000 2.476 48 I HA 0.237 4.407 4.170 -0.000 0.000 0.281 48 I C -2.351 173.761 176.117 -0.009 0.000 1.040 48 I CA -2.318 58.979 61.300 -0.005 0.000 1.094 48 I CB 2.298 40.290 38.000 -0.014 0.000 1.219 48 I HN 0.110 nan 8.210 nan 0.000 0.450 49 P HA 0.192 nan 4.420 nan 0.000 0.278 49 P C 0.572 177.870 177.300 -0.003 0.000 1.258 49 P CA -0.438 62.660 63.100 -0.004 0.000 0.811 49 P CB 1.379 33.079 31.700 0.001 0.000 1.063 50 C N 0.047 119.345 119.300 -0.003 0.000 2.435 50 C HA -0.099 4.361 4.460 -0.000 0.000 0.279 50 C C 2.854 177.845 174.990 0.001 0.000 1.321 50 C CA 1.523 60.541 59.018 -0.000 0.000 1.752 50 C CB -1.919 25.822 27.740 0.003 0.000 1.959 50 C HN 0.693 nan 8.230 nan 0.000 0.500 51 S N 1.799 117.499 115.700 0.001 0.000 2.423 51 S HA -0.071 4.398 4.470 -0.000 0.000 0.231 51 S C 1.045 175.646 174.600 0.002 0.000 1.014 51 S CA 0.802 59.003 58.200 0.001 0.000 0.965 51 S CB -0.818 62.383 63.200 0.001 0.000 0.785 51 S HN 0.750 nan 8.310 nan 0.000 0.495 52 S N 2.780 118.482 115.700 0.004 0.000 2.566 52 S HA 0.186 4.655 4.470 -0.000 0.000 0.280 52 S C -1.664 172.940 174.600 0.006 0.000 1.343 52 S CA -0.866 57.338 58.200 0.007 0.000 1.036 52 S CB 0.218 63.424 63.200 0.010 0.000 0.866 52 S HN 0.051 nan 8.310 nan 0.000 0.526 53 P HA -0.079 nan 4.420 nan 0.000 0.216 53 P C 1.504 178.811 177.300 0.012 0.000 1.153 53 P CA 1.556 64.662 63.100 0.009 0.000 0.858 53 P CB -0.356 31.352 31.700 0.014 0.000 0.789 54 T N -1.607 112.958 114.554 0.018 0.000 2.788 54 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 54 T C 1.942 176.652 174.700 0.016 0.000 1.044 54 T CA 1.300 63.413 62.100 0.023 0.000 1.139 54 T CB -1.265 67.621 68.868 0.030 0.000 0.867 54 T HN 0.197 nan 8.240 nan 0.000 0.454 55 c N 0.828 119.434 118.600 0.009 0.000 2.466 55 c HA 0.152 4.722 4.570 -0.000 0.000 0.278 55 c C 2.604 176.696 174.090 0.004 0.000 1.288 55 c CA 0.179 56.511 56.329 0.005 0.000 1.722 55 c CB -1.459 41.052 42.510 0.001 0.000 2.017 55 c HN 0.533 nan 8.230 nan 0.000 0.488 56 L N 0.261 121.482 121.223 -0.003 0.000 2.083 56 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 56 L C 2.619 179.468 176.870 -0.034 0.000 1.083 56 L CA 0.854 55.683 54.840 -0.019 0.000 0.752 56 L CB -0.739 41.306 42.059 -0.023 0.000 0.899 56 L HN 0.333 nan 8.230 nan 0.000 0.433 57 L N 0.130 121.343 121.223 -0.017 0.000 2.046 57 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 57 L C 2.744 179.621 176.870 0.012 0.000 1.077 57 L CA 2.152 56.985 54.840 -0.011 0.000 0.747 57 L CB -1.191 40.881 42.059 0.022 0.000 0.896 57 L HN 0.241 nan 8.230 nan 0.000 0.432 58 A N -0.497 122.340 122.820 0.028 0.000 2.019 58 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 58 A C 1.651 179.272 177.584 0.060 0.000 1.164 58 A CA 1.768 53.836 52.037 0.051 0.000 0.644 58 A CB -0.635 18.386 19.000 0.034 0.000 0.805 58 A HN 0.617 nan 8.150 nan 0.000 0.449 59 N N -0.815 117.903 118.700 0.031 0.000 2.238 59 N HA 0.377 5.116 4.740 -0.000 0.000 0.222 59 N C 1.133 176.608 175.510 -0.058 0.000 1.133 59 N CA 0.477 53.549 53.050 0.037 0.000 0.854 59 N CB 0.393 38.917 38.487 0.062 0.000 1.041 59 N HN 0.390 nan 8.380 nan 0.000 0.510 60 A N -0.042 122.684 122.820 -0.158 0.000 2.067 60 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 60 A C -0.011 177.194 177.584 -0.632 0.000 1.158 60 A CA 0.975 52.742 52.037 -0.449 0.000 0.661 60 A CB -0.274 18.322 19.000 -0.673 0.000 0.801 60 A HN 0.370 nan 8.150 nan 0.000 0.452 61 Y N 0.593 120.882 120.300 -0.019 0.000 2.511 61 Y HA 0.300 4.850 4.550 -0.000 0.000 0.356 61 Y C -2.231 173.621 175.900 -0.081 0.000 1.002 61 Y CA -2.650 55.422 58.100 -0.046 0.000 1.127 61 Y CB 0.098 38.532 38.460 -0.042 0.000 1.137 61 Y HN 0.141 nan 8.280 nan 0.000 0.652 62 P HA 0.056 nan 4.420 nan 0.000 0.264 62 P C 0.148 177.378 177.300 -0.116 0.000 1.183 62 P CA 0.179 63.244 63.100 -0.059 0.000 0.763 62 P CB 0.983 32.622 31.700 -0.102 0.000 0.807 63 A N 5.754 128.475 122.820 -0.164 0.000 2.445 63 A HA 0.251 4.571 4.320 -0.000 0.000 0.242 63 A C -0.872 176.608 177.584 -0.173 0.000 1.075 63 A CA -0.906 50.944 52.037 -0.310 0.000 0.777 63 A CB -0.932 17.936 19.000 -0.221 0.000 1.013 63 A HN 0.401 nan 8.150 nan 0.000 0.493 64 P HA -0.189 nan 4.420 nan 0.000 0.218 64 P C 1.083 178.355 177.300 -0.047 0.000 1.165 64 P CA 2.237 65.295 63.100 -0.071 0.000 0.922 64 P CB 0.055 31.742 31.700 -0.021 0.000 0.794 65 G N -2.133 106.659 108.800 -0.014 0.000 3.949 65 G HA2 0.260 4.220 3.960 -0.000 0.000 0.295 65 G HA3 0.260 4.220 3.960 -0.000 0.000 0.295 65 G C -0.567 174.306 174.900 -0.044 0.000 1.286 65 G CA -0.072 45.016 45.100 -0.020 0.000 1.171 65 G HN 0.292 nan 8.290 nan 0.000 0.586 66 c N 0.304 118.846 118.600 -0.096 0.000 2.382 66 c HA 0.494 5.064 4.570 -0.000 0.000 0.327 66 c C -0.362 173.559 174.090 -0.281 0.000 1.250 66 c CA -1.224 55.000 56.329 -0.174 0.000 1.707 66 c CB 1.887 44.273 42.510 -0.206 0.000 2.272 66 c HN 0.440 nan 8.230 nan 0.000 0.506 67 P HA -0.108 nan 4.420 nan 0.000 0.219 67 P C 0.635 177.708 177.300 -0.377 0.000 1.158 67 P CA 2.305 65.225 63.100 -0.300 0.000 0.895 67 P CB -0.094 31.465 31.700 -0.234 0.000 0.792 80 c N 1.120 119.697 118.600 -0.040 0.000 2.593 80 c HA 0.675 5.245 4.570 -0.000 0.000 0.409 80 c C 0.721 174.764 174.090 -0.079 0.000 1.304 80 c CA 1.015 57.318 56.329 -0.044 0.000 2.007 80 c CB -0.497 41.990 42.510 -0.038 0.000 2.614 80 c HN 0.688 nan 8.230 nan 0.000 0.585 81 T N 4.325 118.820 114.554 -0.100 0.000 2.791 81 T HA 0.685 5.035 4.350 -0.000 0.000 0.288 81 T C -0.164 174.371 174.700 -0.275 0.000 0.999 81 T CA -0.154 61.814 62.100 -0.220 0.000 0.952 81 T CB 1.088 69.788 68.868 -0.280 0.000 0.938 81 T HN 1.160 nan 8.240 nan 0.000 0.444 82 A N 3.472 126.120 122.820 -0.287 0.000 2.239 82 A HA 0.758 5.078 4.320 -0.000 0.000 0.303 82 A C -1.075 176.215 177.584 -0.489 0.000 1.114 82 A CA -0.865 51.048 52.037 -0.207 0.000 0.871 82 A CB 0.535 19.489 19.000 -0.077 0.000 1.201 82 A HN 0.914 nan 8.150 nan 0.000 0.506 83 Y N 0.514 120.782 120.300 -0.052 0.000 2.705 83 Y HA 0.293 4.843 4.550 -0.000 0.000 0.355 83 Y C -2.176 173.658 175.900 -0.110 0.000 1.039 83 Y CA -2.019 56.033 58.100 -0.081 0.000 1.233 83 Y CB 0.794 39.221 38.460 -0.055 0.000 1.103 83 Y HN 0.442 nan 8.280 nan 0.000 0.624 84 P HA -0.094 nan 4.420 nan 0.000 0.266 84 P C -0.967 176.112 177.300 -0.368 0.000 1.195 84 P CA 0.364 63.201 63.100 -0.438 0.000 0.768 84 P CB 1.104 32.195 31.700 -1.015 0.000 0.838 85 Y N 2.670 122.784 120.300 -0.310 0.000 2.350 85 Y HA 0.321 4.870 4.550 -0.000 0.000 0.338 85 Y C -0.156 175.828 175.900 0.140 0.000 0.961 85 Y CA -1.323 56.735 58.100 -0.070 0.000 1.100 85 Y CB 1.218 39.705 38.460 0.044 0.000 1.179 85 Y HN 0.278 nan 8.280 nan 0.000 0.454 86 N N 8.260 126.778 118.700 -0.305 0.000 2.401 86 N HA 0.186 4.926 4.740 -0.000 0.000 0.255 86 N C -2.130 173.030 175.510 -0.584 0.000 1.110 86 N CA -1.922 51.045 53.050 -0.139 0.000 0.949 86 N CB 1.620 40.072 38.487 -0.058 0.000 1.110 86 N HN 0.475 nan 8.380 nan 0.000 0.490 87 P HA -0.032 nan 4.420 nan 0.000 0.236 87 P C 1.091 178.281 177.300 -0.182 0.000 1.177 87 P CA 0.416 63.337 63.100 -0.298 0.000 0.773 87 P CB 0.688 32.370 31.700 -0.029 0.000 0.878 88 V N 0.978 120.799 119.914 -0.154 0.000 2.374 88 V HA -0.098 4.022 4.120 -0.000 0.000 0.241 88 V C 2.751 178.784 176.094 -0.102 0.000 1.034 88 V CA 2.330 64.568 62.300 -0.103 0.000 1.037 88 V CB -1.353 30.424 31.823 -0.076 0.000 0.682 88 V HN 0.260 nan 8.190 nan 0.000 0.463 89 S N 0.003 115.631 115.700 -0.120 0.000 2.501 89 S HA 0.211 4.681 4.470 -0.000 0.000 0.220 89 S C 1.785 176.320 174.600 -0.108 0.000 0.997 89 S CA 0.899 59.044 58.200 -0.092 0.000 0.919 89 S CB 0.475 63.632 63.200 -0.072 0.000 0.778 89 S HN 1.205 nan 8.310 nan 0.000 0.523 90 G N 1.183 109.846 108.800 -0.227 0.000 2.184 90 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.264 90 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.264 90 G C 0.318 175.169 174.900 -0.082 0.000 0.975 90 G CA 0.137 45.131 45.100 -0.176 0.000 0.642 90 G HN 1.321 nan 8.290 nan 0.000 0.536 91 A N -0.553 122.190 122.820 -0.128 0.000 2.445 91 A HA 0.644 4.964 4.320 -0.000 0.000 0.242 91 A C 0.975 178.523 177.584 -0.060 0.000 1.075 91 A CA 0.764 52.763 52.037 -0.064 0.000 0.777 91 A CB 0.192 19.149 19.000 -0.072 0.000 1.013 91 A HN 2.082 nan 8.150 nan 0.000 0.493 92 c N -0.491 118.107 118.600 -0.002 0.000 3.171 92 c HA 1.009 5.579 4.570 -0.000 0.000 0.308 92 c C -0.169 173.911 174.090 -0.017 0.000 1.334 92 c CA -0.070 56.261 56.329 0.003 0.000 1.473 92 c CB 0.889 43.486 42.510 0.144 0.000 1.866 92 c HN 2.053 nan 8.230 nan 0.000 0.465 93 A N 0.792 123.589 122.820 -0.039 0.000 2.604 93 A HA 0.920 5.240 4.320 -0.000 0.000 0.295 93 A C -0.382 177.173 177.584 -0.049 0.000 1.067 93 A CA 0.123 52.144 52.037 -0.026 0.000 0.683 93 A CB 0.774 19.704 19.000 -0.117 0.000 1.281 93 A HN 2.618 nan 8.150 nan 0.000 0.407 94 A N 0.102 122.880 122.820 -0.070 0.000 2.440 94 A HA 0.678 4.998 4.320 -0.000 0.000 0.251 94 A C 0.581 177.976 177.584 -0.314 0.000 1.089 94 A CA 0.536 52.336 52.037 -0.396 0.000 0.779 94 A CB 0.073 18.916 19.000 -0.263 0.000 1.022 94 A HN 2.339 nan 8.150 nan 0.000 0.492 95 G N 0.384 108.953 108.800 -0.384 0.000 2.718 95 G HA2 0.567 4.527 3.960 -0.000 0.000 0.295 95 G HA3 0.567 4.527 3.960 -0.000 0.000 0.295 95 G C -0.486 174.287 174.900 -0.212 0.000 1.421 95 G CA 0.162 45.121 45.100 -0.235 0.000 0.902 95 G HN 1.393 nan 8.290 nan 0.000 0.501 96 S N 0.359 115.978 115.700 -0.135 0.000 2.616 96 S HA 0.705 5.175 4.470 -0.000 0.000 0.277 96 S C 0.100 174.651 174.600 -0.081 0.000 1.234 96 S CA -0.751 57.384 58.200 -0.108 0.000 1.028 96 S CB 1.268 64.418 63.200 -0.084 0.000 0.988 96 S HN 0.569 nan 8.310 nan 0.000 0.522 97 L N 2.427 123.603 121.223 -0.079 0.000 2.349 97 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 97 L C 0.183 176.987 176.870 -0.110 0.000 1.115 97 L CA -0.187 54.612 54.840 -0.068 0.000 0.820 97 L CB 1.052 43.076 42.059 -0.059 0.000 1.135 97 L HN 0.766 nan 8.230 nan 0.000 0.445 98 S N 0.250 115.890 115.700 -0.101 0.000 2.588 98 S HA 0.477 4.947 4.470 -0.000 0.000 0.275 98 S C -1.030 173.500 174.600 -0.117 0.000 1.130 98 S CA -0.899 57.209 58.200 -0.152 0.000 0.855 98 S CB 1.604 64.780 63.200 -0.040 0.000 1.116 98 S HN 0.425 nan 8.310 nan 0.000 0.472 99 H N 1.287 120.391 119.070 0.057 0.000 2.646 99 H HA 0.634 5.190 4.556 -0.000 0.000 0.325 99 H C 0.301 175.680 175.328 0.086 0.000 1.075 99 H CA 0.243 56.329 56.048 0.064 0.000 1.421 99 H CB 1.281 31.067 29.762 0.041 0.000 1.461 99 H HN 0.532 nan 8.280 nan 0.000 0.525 100 T N 2.628 117.330 114.554 0.246 0.000 2.778 100 T HA 0.473 4.822 4.350 -0.000 0.000 0.293 100 T C -0.838 173.959 174.700 0.162 0.000 1.144 100 T CA -0.911 61.327 62.100 0.229 0.000 1.010 100 T CB 1.375 70.463 68.868 0.367 0.000 1.325 100 T HN 0.457 nan 8.240 nan 0.000 0.515 101 R N 1.581 122.142 120.500 0.101 0.000 2.480 101 R HA 0.441 4.781 4.340 -0.000 0.000 0.306 101 R C -1.559 174.582 176.300 -0.265 0.000 0.958 101 R CA -0.620 55.468 56.100 -0.020 0.000 0.861 101 R CB 1.384 31.658 30.300 -0.044 0.000 1.171 101 R HN 0.563 nan 8.270 nan 0.000 0.445 102 F N 4.058 123.730 119.950 -0.463 0.000 2.361 102 F HA 0.329 4.856 4.527 -0.000 0.000 0.364 102 F C -0.748 174.873 175.800 -0.297 0.000 1.120 102 F CA -1.250 56.362 58.000 -0.647 0.000 1.102 102 F CB 0.882 39.713 39.000 -0.281 0.000 1.183 102 F HN 0.079 nan 8.300 nan 0.000 0.476 103 V N 7.119 126.839 119.914 -0.325 0.000 2.370 103 V HA 0.872 4.992 4.120 -0.000 0.000 0.283 103 V C 0.126 176.001 176.094 -0.364 0.000 1.023 103 V CA 0.133 62.258 62.300 -0.293 0.000 0.857 103 V CB 0.251 32.004 31.823 -0.116 0.000 0.985 103 V HN 1.067 nan 8.190 nan 0.000 0.443 104 A N 4.998 127.573 122.820 -0.409 0.000 3.742 104 A HA 0.773 5.093 4.320 -0.000 0.000 0.282 104 A C -1.025 176.450 177.584 -0.182 0.000 1.117 104 A CA -0.767 51.076 52.037 -0.323 0.000 0.624 104 A CB 1.148 19.803 19.000 -0.576 0.000 1.548 104 A HN 0.671 nan 8.150 nan 0.000 0.723 105 N N -0.608 118.021 118.700 -0.118 0.000 2.292 105 N HA 0.606 5.346 4.740 -0.000 0.000 0.303 105 N C -0.474 175.008 175.510 -0.046 0.000 1.140 105 N CA -0.051 52.961 53.050 -0.063 0.000 0.788 105 N CB 1.987 40.462 38.487 -0.020 0.000 1.361 105 N HN 0.821 nan 8.380 nan 0.000 0.489 106 T N -2.102 112.433 114.554 -0.032 0.000 2.816 106 T HA 0.523 4.873 4.350 -0.000 0.000 0.282 106 T C 0.036 174.735 174.700 -0.001 0.000 0.993 106 T CA -0.439 61.655 62.100 -0.010 0.000 0.994 106 T CB 1.454 70.315 68.868 -0.010 0.000 1.025 106 T HN 0.340 nan 8.240 nan 0.000 0.529 107 T N -0.040 114.515 114.554 0.003 0.000 2.956 107 T HA 0.372 4.721 4.350 -0.000 0.000 0.312 107 T C -0.807 173.880 174.700 -0.022 0.000 1.151 107 T CA -0.630 61.465 62.100 -0.009 0.000 1.024 107 T CB 1.396 70.258 68.868 -0.010 0.000 1.140 107 T HN 0.787 nan 8.240 nan 0.000 0.473 108 D N 1.921 122.301 120.400 -0.033 0.000 2.358 108 D HA 0.404 5.044 4.640 -0.000 0.000 0.224 108 D C 1.069 177.323 176.300 -0.075 0.000 1.123 108 D CA 0.385 54.359 54.000 -0.043 0.000 0.833 108 D CB 0.295 41.075 40.800 -0.033 0.000 0.946 108 D HN 0.797 nan 8.370 nan 0.000 0.505 109 G N 0.213 108.949 108.800 -0.106 0.000 2.556 109 G HA2 0.011 3.971 3.960 -0.000 0.000 0.114 109 G HA3 0.011 3.971 3.960 -0.000 0.000 0.114 109 G C 0.544 175.283 174.900 -0.267 0.000 0.956 109 G CA 0.236 45.221 45.100 -0.191 0.000 1.263 109 G HN 0.372 nan 8.290 nan 0.000 0.486 110 S N -0.501 115.059 115.700 -0.235 0.000 2.649 110 S HA 0.432 4.902 4.470 -0.000 0.000 0.246 110 S C 0.367 174.978 174.600 0.019 0.000 1.057 110 S CA 0.064 58.170 58.200 -0.155 0.000 1.051 110 S CB 0.680 63.756 63.200 -0.207 0.000 1.018 110 S HN 0.277 nan 8.310 nan 0.000 0.569 111 K N 2.957 123.360 120.400 0.005 0.000 2.118 111 K HA 0.552 4.872 4.320 -0.000 0.000 0.254 111 K C -2.996 173.615 176.600 0.019 0.000 0.961 111 K CA -2.507 53.801 56.287 0.035 0.000 0.876 111 K CB 0.730 33.249 32.500 0.031 0.000 1.077 111 K HN 0.149 nan 8.250 nan 0.000 0.440 112 P HA 0.073 nan 4.420 nan 0.000 0.271 112 P C 0.246 177.548 177.300 0.005 0.000 1.218 112 P CA -0.163 62.945 63.100 0.015 0.000 0.780 112 P CB 0.872 32.583 31.700 0.018 0.000 0.901 113 V N 1.039 120.951 119.914 -0.003 0.000 3.240 113 V HA 0.134 4.254 4.120 -0.000 0.000 0.218 113 V C 0.836 176.924 176.094 -0.009 0.000 1.190 113 V CA 0.979 63.275 62.300 -0.006 0.000 1.280 113 V CB -0.124 31.694 31.823 -0.009 0.000 1.244 113 V HN 0.526 nan 8.190 nan 0.000 0.512 114 S N -0.343 115.348 115.700 -0.015 0.000 2.568 114 S HA 0.480 4.950 4.470 -0.000 0.000 0.293 114 S C -0.649 173.933 174.600 -0.031 0.000 1.089 114 S CA -0.588 57.600 58.200 -0.020 0.000 0.945 114 S CB 2.303 65.491 63.200 -0.020 0.000 1.077 114 S HN 0.398 nan 8.310 nan 0.000 0.485 115 K N 0.972 121.351 120.400 -0.034 0.000 2.414 115 K HA 0.406 4.726 4.320 -0.000 0.000 0.272 115 K C -0.955 175.606 176.600 -0.064 0.000 0.993 115 K CA -0.056 56.200 56.287 -0.051 0.000 0.964 115 K CB 0.355 32.829 32.500 -0.044 0.000 0.925 115 K HN 0.371 nan 8.250 nan 0.000 0.487 116 V N 3.538 123.393 119.914 -0.098 0.000 2.971 116 V HA 0.347 4.467 4.120 -0.000 0.000 0.309 116 V C -1.776 174.229 176.094 -0.148 0.000 1.130 116 V CA -0.893 61.342 62.300 -0.108 0.000 0.964 116 V CB 2.202 33.960 31.823 -0.107 0.000 1.029 116 V HN 0.962 nan 8.190 nan 0.000 0.427 117 N N 4.248 122.879 118.700 -0.114 0.000 2.573 117 N HA 0.457 5.197 4.740 -0.000 0.000 0.262 117 N C -1.321 174.140 175.510 -0.082 0.000 1.029 117 N CA -0.094 52.889 53.050 -0.112 0.000 0.882 117 N CB 1.727 40.167 38.487 -0.078 0.000 1.204 117 N HN 0.456 nan 8.380 nan 0.000 0.519 118 V N 1.634 121.497 119.914 -0.084 0.000 2.370 118 V HA 0.537 4.657 4.120 -0.000 0.000 0.279 118 V C 1.174 177.292 176.094 0.039 0.000 1.029 118 V CA -0.997 61.300 62.300 -0.005 0.000 0.870 118 V CB 1.271 33.126 31.823 0.053 0.000 0.984 118 V HN 0.599 nan 8.190 nan 0.000 0.451 119 G N 3.854 112.673 108.800 0.032 0.000 2.364 119 G HA2 0.529 4.488 3.960 -0.000 0.000 0.267 119 G HA3 0.529 4.488 3.960 -0.000 0.000 0.267 119 G C -0.366 174.588 174.900 0.090 0.000 1.233 119 G CA -0.026 45.102 45.100 0.046 0.000 0.885 119 G HN 1.078 nan 8.290 nan 0.000 0.490 120 V N 1.219 121.216 119.914 0.138 0.000 3.007 120 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 120 V C -0.336 175.871 176.094 0.188 0.000 1.120 120 V CA -1.424 60.967 62.300 0.152 0.000 0.980 120 V CB 1.920 33.837 31.823 0.157 0.000 1.033 120 V HN 0.586 nan 8.190 nan 0.000 0.429 121 L N 3.294 124.609 121.223 0.154 0.000 2.265 121 L HA 0.814 5.154 4.340 -0.000 0.000 0.288 121 L C 0.425 177.353 176.870 0.096 0.000 1.058 121 L CA -0.081 54.840 54.840 0.134 0.000 0.809 121 L CB 1.231 43.352 42.059 0.104 0.000 1.179 121 L HN 1.088 nan 8.230 nan 0.000 0.429 122 A N 3.624 126.502 122.820 0.095 0.000 2.374 122 A HA 0.839 5.158 4.320 -0.000 0.000 0.317 122 A C -0.419 177.208 177.584 0.072 0.000 1.094 122 A CA -0.561 51.525 52.037 0.082 0.000 0.765 122 A CB 1.575 20.634 19.000 0.099 0.000 1.268 122 A HN 0.733 nan 8.150 nan 0.000 0.438 123 A N 0.325 123.203 122.820 0.096 0.000 2.401 123 A HA 0.484 4.803 4.320 -0.000 0.000 0.259 123 A C 0.010 177.648 177.584 0.089 0.000 1.103 123 A CA -0.143 51.931 52.037 0.060 0.000 0.789 123 A CB -0.294 18.729 19.000 0.039 0.000 1.035 123 A HN 0.949 nan 8.150 nan 0.000 0.491 124 c N 2.909 121.525 118.600 0.026 0.000 2.303 124 c HA 0.634 5.204 4.570 -0.000 0.000 0.341 124 c C 1.031 175.115 174.090 -0.010 0.000 1.244 124 c CA -0.067 56.286 56.329 0.040 0.000 1.765 124 c CB -0.751 41.769 42.510 0.017 0.000 2.379 124 c HN 0.937 nan 8.230 nan 0.000 0.530 125 A N 6.665 129.502 122.820 0.028 0.000 2.320 125 A HA 0.915 5.235 4.320 -0.000 0.000 0.334 125 A C -2.452 175.113 177.584 -0.032 0.000 1.147 125 A CA -1.252 50.729 52.037 -0.092 0.000 0.820 125 A CB 0.618 19.459 19.000 -0.265 0.000 1.218 125 A HN 0.671 nan 8.150 nan 0.000 0.482 126 P HA 0.174 nan 4.420 nan 0.000 0.274 126 P C 0.743 178.042 177.300 -0.002 0.000 1.231 126 P CA -0.108 62.973 63.100 -0.032 0.000 0.790 126 P CB 1.164 32.834 31.700 -0.050 0.000 0.951 127 S N 1.337 117.049 115.700 0.020 0.000 2.400 127 S HA -0.223 4.247 4.470 -0.000 0.000 0.234 127 S C 1.585 176.203 174.600 0.029 0.000 1.049 127 S CA 1.961 60.183 58.200 0.036 0.000 1.039 127 S CB -0.632 62.584 63.200 0.027 0.000 0.856 127 S HN 0.655 nan 8.310 nan 0.000 0.465 128 K N 0.944 121.346 120.400 0.004 0.000 2.280 128 K HA 0.010 4.330 4.320 -0.000 0.000 0.202 128 K C 1.714 178.311 176.600 -0.006 0.000 1.047 128 K CA 0.983 57.267 56.287 -0.003 0.000 0.942 128 K CB -0.355 32.135 32.500 -0.017 0.000 0.739 128 K HN 0.330 nan 8.250 nan 0.000 0.457 129 L N 1.267 122.477 121.223 -0.022 0.000 2.465 129 L HA -0.007 4.332 4.340 -0.000 0.000 0.224 129 L C 1.938 178.890 176.870 0.137 0.000 1.145 129 L CA 0.595 55.413 54.840 -0.036 0.000 0.834 129 L CB -0.218 41.673 42.059 -0.281 0.000 0.944 129 L HN 0.285 nan 8.230 nan 0.000 0.451 130 L N -0.278 121.027 121.223 0.137 0.000 2.478 130 L HA 0.072 4.412 4.340 -0.000 0.000 0.223 130 L C 1.416 178.325 176.870 0.065 0.000 1.140 130 L CA -0.378 54.544 54.840 0.136 0.000 0.842 130 L CB -0.440 41.676 42.059 0.095 0.000 0.953 130 L HN 0.133 nan 8.230 nan 0.000 0.452 131 A N -0.371 122.473 122.820 0.040 0.000 2.546 131 A HA 0.196 4.516 4.320 -0.000 0.000 0.243 131 A C 1.269 178.856 177.584 0.005 0.000 1.063 131 A CA 0.778 52.824 52.037 0.014 0.000 0.757 131 A CB 0.177 19.179 19.000 0.002 0.000 0.991 131 A HN 0.371 nan 8.150 nan 0.000 0.503 132 S N -0.530 115.166 115.700 -0.006 0.000 2.765 132 S HA -0.141 4.329 4.470 -0.000 0.000 0.266 132 S C 0.308 174.891 174.600 -0.028 0.000 1.302 132 S CA 1.219 59.408 58.200 -0.019 0.000 1.274 132 S CB -2.056 61.127 63.200 -0.027 0.000 1.559 132 S HN 0.707 nan 8.310 nan 0.000 0.658 133 L N 1.634 122.845 121.223 -0.022 0.000 2.416 133 L HA 0.458 4.798 4.340 -0.000 0.000 0.262 133 L C -2.043 174.800 176.870 -0.045 0.000 1.093 133 L CA -2.285 52.528 54.840 -0.045 0.000 0.801 133 L CB -0.005 42.023 42.059 -0.051 0.000 1.191 133 L HN -0.089 nan 8.230 nan 0.000 0.459 134 P HA 0.087 nan 4.420 nan 0.000 0.269 134 P C -0.772 176.507 177.300 -0.034 0.000 1.209 134 P CA -0.258 62.812 63.100 -0.050 0.000 0.776 134 P CB 0.373 32.036 31.700 -0.061 0.000 0.876 135 R N 1.704 122.190 120.500 -0.022 0.000 2.537 135 R HA 0.194 4.534 4.340 -0.000 0.000 0.281 135 R C 1.441 177.734 176.300 -0.011 0.000 0.988 135 R CA 1.480 57.573 56.100 -0.011 0.000 1.077 135 R CB -0.716 29.581 30.300 -0.006 0.000 0.932 135 R HN 0.908 nan 8.270 nan 0.000 0.409 136 G N 1.764 110.562 108.800 -0.004 0.000 2.195 136 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 136 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 136 G C 0.032 174.926 174.900 -0.010 0.000 0.984 136 G CA 0.142 45.243 45.100 0.002 0.000 0.633 136 G HN 0.567 nan 8.290 nan 0.000 0.525 137 S N 0.449 116.129 115.700 -0.034 0.000 2.565 137 S HA 0.537 5.006 4.470 -0.000 0.000 0.274 137 S C 1.219 175.777 174.600 -0.069 0.000 1.309 137 S CA 0.545 58.700 58.200 -0.075 0.000 1.043 137 S CB 1.495 64.629 63.200 -0.111 0.000 0.939 137 S HN 0.976 nan 8.310 nan 0.000 0.504 138 T N -0.995 113.495 114.554 -0.105 0.000 3.084 138 T HA 0.580 4.929 4.350 -0.000 0.000 0.270 138 T C 0.572 175.167 174.700 -0.175 0.000 1.008 138 T CA 0.117 62.176 62.100 -0.068 0.000 0.900 138 T CB 0.126 68.992 68.868 -0.003 0.000 1.084 138 T HN 0.841 nan 8.240 nan 0.000 0.538 139 G N 0.337 108.888 108.800 -0.415 0.000 2.336 139 G HA2 0.453 4.413 3.960 -0.000 0.000 0.286 139 G HA3 0.453 4.413 3.960 -0.000 0.000 0.286 139 G C -2.208 172.050 174.900 -1.069 0.000 1.269 139 G CA -0.328 44.206 45.100 -0.943 0.000 0.873 139 G HN 0.337 nan 8.290 nan 0.000 0.494 140 V N 0.590 119.617 119.914 -1.478 0.000 2.531 140 V HA 0.712 4.832 4.120 -0.000 0.000 0.301 140 V C 0.341 175.974 176.094 -0.769 0.000 1.034 140 V CA -0.150 61.536 62.300 -1.022 0.000 0.865 140 V CB 1.437 32.639 31.823 -1.034 0.000 0.995 140 V HN 1.627 nan 8.190 nan 0.000 0.424 141 A N 3.679 126.169 122.820 -0.550 0.000 2.391 141 A HA 0.678 4.997 4.320 -0.000 0.000 0.316 141 A C 0.703 178.089 177.584 -0.330 0.000 1.381 141 A CA 0.034 51.786 52.037 -0.475 0.000 0.998 141 A CB 0.098 18.815 19.000 -0.471 0.000 1.147 141 A HN 1.097 nan 8.150 nan 0.000 0.545 142 G N 1.376 110.017 108.800 -0.264 0.000 2.361 142 G HA2 0.448 4.408 3.960 -0.000 0.000 0.260 142 G HA3 0.448 4.408 3.960 -0.000 0.000 0.260 142 G C 0.272 175.048 174.900 -0.206 0.000 1.261 142 G CA -0.375 44.624 45.100 -0.169 0.000 0.897 142 G HN 0.739 nan 8.290 nan 0.000 0.499 143 L N 2.058 123.160 121.223 -0.203 0.000 3.066 143 L HA 0.305 4.645 4.340 -0.000 0.000 0.265 143 L C 1.485 178.332 176.870 -0.037 0.000 1.232 143 L CA -0.399 54.258 54.840 -0.304 0.000 1.031 143 L CB -0.090 41.626 42.059 -0.571 0.000 1.379 143 L HN 0.590 nan 8.230 nan 0.000 0.563 144 A N 0.240 123.045 122.820 -0.025 0.000 2.327 144 A HA 0.088 4.408 4.320 -0.000 0.000 0.255 144 A C 0.433 177.991 177.584 -0.043 0.000 1.099 144 A CA -0.258 51.732 52.037 -0.077 0.000 0.801 144 A CB 0.080 18.969 19.000 -0.185 0.000 1.062 144 A HN 0.448 nan 8.150 nan 0.000 0.496 145 N N 0.447 119.025 118.700 -0.203 0.000 2.895 145 N HA 0.254 4.994 4.740 -0.000 0.000 0.277 145 N C -0.617 174.899 175.510 0.010 0.000 1.185 145 N CA 0.097 53.140 53.050 -0.010 0.000 1.106 145 N CB -0.007 38.463 38.487 -0.029 0.000 1.422 145 N HN 0.499 nan 8.380 nan 0.000 0.521 146 S N 0.575 116.303 115.700 0.047 0.000 2.570 146 S HA 0.422 4.891 4.470 -0.000 0.000 0.270 146 S C 1.007 175.663 174.600 0.093 0.000 1.149 146 S CA -0.423 57.833 58.200 0.094 0.000 0.837 146 S CB 1.239 64.503 63.200 0.106 0.000 1.124 146 S HN 0.459 nan 8.310 nan 0.000 0.465 147 G N 1.224 110.087 108.800 0.105 0.000 2.471 147 G HA2 0.041 4.001 3.960 -0.000 0.000 0.219 147 G HA3 0.041 4.001 3.960 -0.000 0.000 0.219 147 G C 0.790 175.730 174.900 0.067 0.000 1.125 147 G CA 0.513 45.663 45.100 0.083 0.000 0.775 147 G HN 0.605 nan 8.290 nan 0.000 0.548 148 L N 0.367 121.630 121.223 0.067 0.000 2.693 148 L HA 0.405 4.745 4.340 -0.000 0.000 0.235 148 L C 1.557 178.437 176.870 0.016 0.000 1.127 148 L CA -0.522 54.346 54.840 0.048 0.000 0.914 148 L CB 0.212 42.307 42.059 0.059 0.000 1.193 148 L HN 0.182 nan 8.230 nan 0.000 0.502 149 A N 0.117 122.940 122.820 0.005 0.000 2.386 149 A HA 0.090 4.410 4.320 -0.000 0.000 0.246 149 A C 1.092 178.613 177.584 -0.106 0.000 1.089 149 A CA -0.256 51.748 52.037 -0.055 0.000 0.790 149 A CB 0.449 19.421 19.000 -0.047 0.000 1.042 149 A HN 0.164 nan 8.150 nan 0.000 0.497 150 L N 1.533 122.623 121.223 -0.221 0.000 2.012 150 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 150 L C -0.834 175.858 176.870 -0.297 0.000 1.073 150 L CA 2.540 57.171 54.840 -0.348 0.000 0.748 150 L CB -1.365 40.324 42.059 -0.617 0.000 0.891 150 L HN 0.525 nan 8.230 nan 0.000 0.431 151 P HA -0.144 nan 4.420 nan 0.000 0.215 151 P C 1.555 178.920 177.300 0.108 0.000 1.157 151 P CA 2.066 65.206 63.100 0.067 0.000 0.868 151 P CB -0.210 31.601 31.700 0.185 0.000 0.788 152 A N -0.328 122.540 122.820 0.081 0.000 1.933 152 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 152 A C 2.257 179.881 177.584 0.067 0.000 1.175 152 A CA 1.501 53.594 52.037 0.093 0.000 0.628 152 A CB -1.269 17.782 19.000 0.086 0.000 0.814 152 A HN 0.191 nan 8.150 nan 0.000 0.444 153 Q N -0.566 119.251 119.800 0.029 0.000 2.119 153 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 153 Q C 2.134 178.163 176.000 0.048 0.000 0.972 153 Q CA 1.457 57.279 55.803 0.033 0.000 0.847 153 Q CB -0.262 28.484 28.738 0.013 0.000 0.903 153 Q HN 0.506 nan 8.270 nan 0.000 0.433 154 V N 1.031 120.968 119.914 0.040 0.000 2.427 154 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 154 V C 2.293 178.453 176.094 0.111 0.000 1.051 154 V CA 1.691 64.045 62.300 0.090 0.000 1.048 154 V CB -0.870 31.020 31.823 0.112 0.000 0.666 154 V HN 0.349 nan 8.190 nan 0.000 0.456 155 A N 0.855 123.745 122.820 0.118 0.000 1.908 155 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 155 A C 2.540 180.175 177.584 0.086 0.000 1.181 155 A CA 2.489 54.596 52.037 0.116 0.000 0.627 155 A CB -0.716 18.360 19.000 0.127 0.000 0.818 155 A HN 0.676 nan 8.150 nan 0.000 0.445 156 S N -0.011 115.734 115.700 0.075 0.000 2.357 156 S HA 0.155 4.625 4.470 -0.000 0.000 0.221 156 S C 2.146 176.778 174.600 0.052 0.000 1.031 156 S CA 1.119 59.355 58.200 0.060 0.000 0.982 156 S CB -0.692 62.541 63.200 0.056 0.000 0.853 156 S HN 0.845 nan 8.310 nan 0.000 0.458 157 A N 1.221 124.073 122.820 0.055 0.000 1.929 157 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 157 A C 2.195 179.804 177.584 0.041 0.000 1.176 157 A CA 1.042 53.106 52.037 0.044 0.000 0.628 157 A CB -0.370 18.659 19.000 0.049 0.000 0.816 157 A HN 0.439 nan 8.150 nan 0.000 0.444 158 Q N -0.769 119.064 119.800 0.055 0.000 2.319 158 Q HA 0.131 4.471 4.340 -0.000 0.000 0.202 158 Q C -0.527 175.503 176.000 0.049 0.000 0.896 158 Q CA 0.234 56.067 55.803 0.050 0.000 0.942 158 Q CB 0.161 28.939 28.738 0.065 0.000 1.083 158 Q HN 0.705 nan 8.270 nan 0.000 0.510 159 K N 0.003 120.434 120.400 0.052 0.000 3.257 159 K HA -0.164 4.156 4.320 -0.000 0.000 0.270 159 K C -0.023 176.610 176.600 0.056 0.000 0.984 159 K CA 0.545 56.861 56.287 0.049 0.000 0.739 159 K CB -2.193 30.328 32.500 0.035 0.000 1.351 159 K HN 0.202 nan 8.250 nan 0.000 0.463 160 V N -3.793 116.166 119.914 0.074 0.000 3.184 160 V HA 0.891 5.011 4.120 -0.000 0.000 0.308 160 V C 0.310 176.463 176.094 0.098 0.000 1.243 160 V CA -0.678 61.673 62.300 0.085 0.000 1.058 160 V CB 1.827 33.712 31.823 0.104 0.000 1.183 160 V HN 0.228 nan 8.190 nan 0.000 0.471 161 A N 0.327 123.211 122.820 0.107 0.000 2.322 161 A HA 0.381 4.701 4.320 -0.000 0.000 0.269 161 A C 0.409 178.085 177.584 0.154 0.000 1.094 161 A CA -0.288 51.817 52.037 0.113 0.000 0.807 161 A CB -0.309 18.750 19.000 0.098 0.000 1.047 161 A HN 0.984 nan 8.150 nan 0.000 0.487 162 N N 0.961 119.751 118.700 0.150 0.000 2.971 162 N HA 0.195 4.935 4.740 -0.000 0.000 0.294 162 N C -0.199 175.450 175.510 0.232 0.000 1.210 162 N CA 0.013 53.177 53.050 0.189 0.000 1.157 162 N CB -0.133 38.449 38.487 0.158 0.000 1.450 162 N HN 0.598 nan 8.380 nan 0.000 0.527 163 R N 2.561 123.232 120.500 0.286 0.000 2.644 163 R HA 0.230 4.570 4.340 -0.000 0.000 0.257 163 R C -1.847 174.670 176.300 0.362 0.000 1.082 163 R CA -0.575 55.681 56.100 0.261 0.000 0.927 163 R CB 0.801 31.196 30.300 0.159 0.000 1.258 163 R HN 0.237 nan 8.270 nan 0.000 0.459 164 F N 2.040 122.091 119.950 0.168 0.000 2.662 164 F HA 0.685 5.212 4.527 -0.000 0.000 0.312 164 F C -2.074 173.774 175.800 0.081 0.000 1.113 164 F CA -1.229 56.809 58.000 0.063 0.000 0.951 164 F CB 1.512 40.519 39.000 0.011 0.000 1.344 164 F HN 0.387 nan 8.300 nan 0.000 0.462 165 L N 3.158 124.439 121.223 0.095 0.000 2.365 165 L HA 0.733 5.073 4.340 -0.000 0.000 0.273 165 L C -1.842 175.111 176.870 0.139 0.000 1.000 165 L CA -0.679 54.212 54.840 0.085 0.000 0.819 165 L CB 1.814 43.916 42.059 0.071 0.000 1.284 165 L HN 0.785 nan 8.230 nan 0.000 0.418 166 L N 4.941 126.280 121.223 0.193 0.000 2.365 166 L HA 0.490 4.830 4.340 -0.000 0.000 0.273 166 L C -1.123 175.825 176.870 0.130 0.000 1.000 166 L CA -0.617 54.318 54.840 0.158 0.000 0.819 166 L CB 2.041 44.218 42.059 0.197 0.000 1.284 166 L HN 0.661 nan 8.230 nan 0.000 0.418 167 c N 5.296 123.944 118.600 0.080 0.000 2.814 167 c HA 0.434 5.004 4.570 -0.000 0.000 0.269 167 c C 0.069 174.141 174.090 -0.029 0.000 1.090 167 c CA -0.603 55.736 56.329 0.017 0.000 1.492 167 c CB -0.527 41.963 42.510 -0.033 0.000 1.825 167 c HN 0.625 nan 8.230 nan 0.000 0.442 168 L N 7.226 128.407 121.223 -0.070 0.000 2.367 168 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 168 L C -1.772 175.066 176.870 -0.053 0.000 1.129 168 L CA -0.971 53.772 54.840 -0.162 0.000 0.839 168 L CB 0.926 42.712 42.059 -0.455 0.000 1.133 168 L HN 0.418 nan 8.230 nan 0.000 0.453 169 P HA 0.170 nan 4.420 nan 0.000 0.285 169 P C 0.268 177.650 177.300 0.137 0.000 1.269 169 P CA -0.576 62.561 63.100 0.061 0.000 0.844 169 P CB 1.403 33.141 31.700 0.064 0.000 1.094 170 T N -1.822 112.778 114.554 0.077 0.000 3.067 170 T HA 0.344 4.694 4.350 -0.000 0.000 0.261 170 T C 0.862 175.599 174.700 0.062 0.000 1.110 170 T CA 0.591 62.741 62.100 0.083 0.000 1.113 170 T CB -0.627 68.265 68.868 0.040 0.000 0.917 170 T HN 0.747 nan 8.240 nan 0.000 0.499 171 G N -1.297 107.532 108.800 0.048 0.000 2.377 171 G HA2 0.550 4.510 3.960 -0.000 0.000 0.297 171 G HA3 0.550 4.510 3.960 -0.000 0.000 0.297 171 G C -0.117 174.796 174.900 0.022 0.000 1.547 171 G CA -0.133 44.986 45.100 0.031 0.000 0.833 171 G HN 1.137 nan 8.290 nan 0.000 0.583 172 G N 0.292 109.105 108.800 0.022 0.000 2.860 172 G HA2 0.182 4.142 3.960 -0.000 0.000 0.553 172 G HA3 0.182 4.142 3.960 -0.000 0.000 0.553 172 G C -2.509 172.410 174.900 0.032 0.000 1.439 172 G CA -0.042 45.071 45.100 0.020 0.000 0.879 172 G HN 1.088 nan 8.290 nan 0.000 0.545 173 P HA 0.445 nan 4.420 nan 0.000 0.281 173 P C 0.800 178.124 177.300 0.039 0.000 1.286 173 P CA 0.846 63.974 63.100 0.047 0.000 0.772 173 P CB 0.941 32.672 31.700 0.052 0.000 0.862 174 G N 2.440 111.270 108.800 0.050 0.000 2.509 174 G HA2 0.518 4.478 3.960 -0.000 0.000 0.269 174 G HA3 0.518 4.478 3.960 -0.000 0.000 0.269 174 G C -0.951 173.991 174.900 0.071 0.000 1.416 174 G CA -0.523 44.597 45.100 0.034 0.000 1.052 174 G HN 0.372 nan 8.290 nan 0.000 0.542 175 V N -0.456 119.505 119.914 0.079 0.000 2.686 175 V HA 0.713 4.833 4.120 -0.000 0.000 0.306 175 V C -0.180 175.973 176.094 0.097 0.000 1.065 175 V CA -0.602 61.781 62.300 0.137 0.000 0.894 175 V CB 1.432 33.422 31.823 0.279 0.000 1.004 175 V HN 1.174 nan 8.190 nan 0.000 0.424 176 A N 5.628 128.483 122.820 0.057 0.000 2.359 176 A HA 0.938 5.258 4.320 -0.000 0.000 0.303 176 A C -1.086 176.380 177.584 -0.197 0.000 1.066 176 A CA -0.420 51.553 52.037 -0.107 0.000 0.730 176 A CB 1.027 19.948 19.000 -0.132 0.000 1.211 176 A HN 0.760 nan 8.150 nan 0.000 0.439 177 I N 2.129 122.528 120.570 -0.286 0.000 2.447 177 I HA 0.388 4.557 4.170 -0.000 0.000 0.287 177 I C -1.413 174.540 176.117 -0.273 0.000 1.023 177 I CA -0.304 60.889 61.300 -0.178 0.000 1.083 177 I CB 1.755 39.734 38.000 -0.034 0.000 1.245 177 I HN 0.560 nan 8.210 nan 0.000 0.434 178 F N 4.529 124.603 119.950 0.206 0.000 2.361 178 F HA 0.618 5.145 4.527 -0.000 0.000 0.364 178 F C 1.059 176.960 175.800 0.169 0.000 1.120 178 F CA -0.467 57.664 58.000 0.219 0.000 1.102 178 F CB 1.513 40.639 39.000 0.209 0.000 1.183 178 F HN 0.680 nan 8.300 nan 0.000 0.476 179 G N 0.889 109.863 108.800 0.291 0.000 2.559 179 G HA2 0.336 4.296 3.960 -0.000 0.000 0.202 179 G HA3 0.336 4.296 3.960 -0.000 0.000 0.202 179 G C 0.423 175.403 174.900 0.135 0.000 0.992 179 G CA -0.010 45.212 45.100 0.202 0.000 0.764 179 G HN 1.424 nan 8.290 nan 0.000 0.525 180 G N -0.389 108.480 108.800 0.116 0.000 2.512 180 G HA2 0.476 4.436 3.960 -0.000 0.000 0.240 180 G HA3 0.476 4.436 3.960 -0.000 0.000 0.240 180 G C 1.294 176.216 174.900 0.037 0.000 1.246 180 G CA 1.406 46.551 45.100 0.074 0.000 0.919 180 G HN 2.675 nan 8.290 nan 0.000 0.577 181 G N -1.540 107.274 108.800 0.024 0.000 2.712 181 G HA2 0.386 4.346 3.960 -0.000 0.000 0.683 181 G HA3 0.386 4.346 3.960 -0.000 0.000 0.683 181 G C -2.065 172.827 174.900 -0.013 0.000 1.320 181 G CA 0.408 45.507 45.100 -0.001 0.000 0.847 181 G HN 1.502 nan 8.290 nan 0.000 0.553 182 P HA 0.382 nan 4.420 nan 0.000 0.266 182 P C 0.384 177.647 177.300 -0.061 0.000 1.195 182 P CA -0.466 62.613 63.100 -0.036 0.000 0.768 182 P CB 0.679 32.350 31.700 -0.048 0.000 0.838 183 V N 5.861 125.755 119.914 -0.033 0.000 2.529 183 V HA 0.096 4.216 4.120 -0.000 0.000 0.292 183 V C -1.338 174.674 176.094 -0.136 0.000 1.028 183 V CA -0.848 61.422 62.300 -0.051 0.000 1.074 183 V CB -0.067 31.773 31.823 0.028 0.000 0.958 183 V HN 0.663 nan 8.190 nan 0.000 0.481 184 P HA 0.092 nan 4.420 nan 0.000 0.277 184 P C -0.284 176.827 177.300 -0.315 0.000 1.276 184 P CA -0.401 62.355 63.100 -0.573 0.000 0.788 184 P CB 0.288 31.265 31.700 -1.204 0.000 1.114 185 W N -2.780 118.505 121.300 -0.025 0.000 6.199 185 W HA -0.092 4.568 4.660 -0.000 0.000 0.416 185 W C -1.684 174.752 176.519 -0.139 0.000 1.636 185 W CA -0.118 57.184 57.345 -0.071 0.000 1.040 185 W CB -2.746 26.761 29.460 0.078 0.000 2.854 185 W HN 0.433 nan 8.180 nan 0.000 1.467 186 P HA -0.276 nan 4.420 nan 0.000 0.221 186 P C 1.961 179.202 177.300 -0.099 0.000 1.145 186 P CA 2.342 65.419 63.100 -0.037 0.000 0.795 186 P CB 0.071 31.739 31.700 -0.053 0.000 0.775 187 Q N -0.545 119.106 119.800 -0.248 0.000 2.234 187 Q HA -0.162 4.177 4.340 -0.000 0.000 0.206 187 Q C 1.228 177.016 176.000 -0.353 0.000 0.980 187 Q CA 1.615 57.176 55.803 -0.403 0.000 0.869 187 Q CB -1.061 27.266 28.738 -0.684 0.000 0.912 187 Q HN 0.267 nan 8.270 nan 0.000 0.436 188 F N 0.906 120.879 119.950 0.039 0.000 2.712 188 F HA 0.195 4.722 4.527 -0.000 0.000 0.297 188 F C 1.917 177.688 175.800 -0.049 0.000 1.114 188 F CA 0.825 58.802 58.000 -0.038 0.000 1.305 188 F CB 0.074 39.019 39.000 -0.093 0.000 1.086 188 F HN 0.225 nan 8.300 nan 0.000 0.599 189 T N -2.926 111.704 114.554 0.127 0.000 3.043 189 T HA 0.045 4.395 4.350 -0.000 0.000 0.272 189 T C 1.481 176.187 174.700 0.009 0.000 0.990 189 T CA 0.069 62.203 62.100 0.057 0.000 0.897 189 T CB -0.248 68.686 68.868 0.112 0.000 1.111 189 T HN 0.362 nan 8.240 nan 0.000 0.529 190 Q N 1.632 121.433 119.800 0.003 0.000 2.226 190 Q HA 0.002 4.342 4.340 -0.000 0.000 0.204 190 Q C 1.379 177.372 176.000 -0.010 0.000 0.975 190 Q CA 1.519 57.319 55.803 -0.005 0.000 0.866 190 Q CB -0.532 28.196 28.738 -0.016 0.000 0.915 190 Q HN 0.430 nan 8.270 nan 0.000 0.440 191 S N 0.822 116.504 115.700 -0.030 0.000 2.614 191 S HA 0.201 4.671 4.470 -0.000 0.000 0.230 191 S C 0.318 174.858 174.600 -0.100 0.000 0.952 191 S CA -0.459 57.712 58.200 -0.048 0.000 0.949 191 S CB -0.106 63.062 63.200 -0.053 0.000 0.786 191 S HN 0.439 nan 8.310 nan 0.000 0.478 192 M N 4.613 124.144 119.600 -0.115 0.000 2.408 192 M HA 0.062 4.542 4.480 -0.000 0.000 0.363 192 M C -2.395 173.698 176.300 -0.344 0.000 1.636 192 M CA -0.841 54.298 55.300 -0.269 0.000 1.029 192 M CB 0.407 32.846 32.600 -0.269 0.000 2.068 192 M HN -0.053 nan 8.290 nan 0.000 0.466 193 P HA 0.183 nan 4.420 nan 0.000 0.278 193 P C -1.883 175.035 177.300 -0.637 0.000 1.238 193 P CA 0.145 62.927 63.100 -0.530 0.000 0.794 193 P CB 0.458 31.704 31.700 -0.758 0.000 0.955 194 Y N -0.593 119.654 120.300 -0.089 0.000 2.485 194 Y HA 0.541 5.091 4.550 -0.000 0.000 0.345 194 Y C 0.814 176.863 175.900 0.247 0.000 0.998 194 Y CA -0.303 57.858 58.100 0.103 0.000 1.059 194 Y CB 2.586 41.072 38.460 0.044 0.000 1.234 194 Y HN 0.269 nan 8.280 nan 0.000 0.461 195 T N 3.821 118.648 114.554 0.454 0.000 2.909 195 T HA 0.520 4.869 4.350 -0.000 0.000 0.299 195 T C -2.996 171.830 174.700 0.209 0.000 1.073 195 T CA -2.493 59.787 62.100 0.300 0.000 0.999 195 T CB 1.419 70.442 68.868 0.258 0.000 1.098 195 T HN 0.199 nan 8.240 nan 0.000 0.477 196 P HA 0.246 nan 4.420 nan 0.000 0.268 196 P C -0.716 176.653 177.300 0.116 0.000 1.205 196 P CA -0.194 62.978 63.100 0.121 0.000 0.771 196 P CB 0.337 32.093 31.700 0.094 0.000 0.858 197 L N 3.021 124.319 121.223 0.126 0.000 2.290 197 L HA 0.259 4.599 4.340 -0.000 0.000 0.284 197 L C -0.142 176.816 176.870 0.147 0.000 1.078 197 L CA -0.608 54.324 54.840 0.153 0.000 0.815 197 L CB 0.866 43.042 42.059 0.196 0.000 1.162 197 L HN 0.087 nan 8.230 nan 0.000 0.435 198 V N 2.532 122.545 119.914 0.166 0.000 2.370 198 V HA 0.233 4.353 4.120 -0.000 0.000 0.283 198 V C 0.328 176.519 176.094 0.162 0.000 1.023 198 V CA -0.564 61.814 62.300 0.131 0.000 0.857 198 V CB 1.500 33.380 31.823 0.094 0.000 0.985 198 V HN 0.703 nan 8.190 nan 0.000 0.443 199 T N 6.099 120.717 114.554 0.106 0.000 2.761 199 T HA 0.292 4.642 4.350 -0.000 0.000 0.296 199 T C 0.014 174.720 174.700 0.011 0.000 0.934 199 T CA -0.237 61.921 62.100 0.096 0.000 1.091 199 T CB 0.278 69.195 68.868 0.082 0.000 0.896 199 T HN 0.521 nan 8.240 nan 0.000 0.515 200 K N 1.900 122.274 120.400 -0.043 0.000 2.138 200 K HA 0.491 4.811 4.320 -0.000 0.000 0.263 200 K C 0.724 177.298 176.600 -0.043 0.000 0.965 200 K CA -0.754 55.433 56.287 -0.167 0.000 0.868 200 K CB 1.612 33.797 32.500 -0.526 0.000 1.083 200 K HN 0.714 nan 8.250 nan 0.000 0.443 201 G N -0.009 108.769 108.800 -0.037 0.000 2.340 201 G HA2 0.312 4.272 3.960 -0.000 0.000 0.245 201 G HA3 0.312 4.272 3.960 -0.000 0.000 0.245 201 G C 0.884 175.809 174.900 0.042 0.000 1.294 201 G CA 0.535 45.643 45.100 0.013 0.000 0.896 201 G HN 0.795 nan 8.290 nan 0.000 0.522 202 G N 0.237 109.104 108.800 0.112 0.000 2.179 202 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.260 202 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.260 202 G C 0.510 175.568 174.900 0.264 0.000 0.977 202 G CA 0.844 46.047 45.100 0.171 0.000 0.641 202 G HN 1.609 nan 8.290 nan 0.000 0.533 203 S N 0.134 115.944 115.700 0.183 0.000 2.538 203 S HA 0.744 5.214 4.470 -0.000 0.000 0.288 203 S C -1.639 172.897 174.600 -0.108 0.000 1.108 203 S CA -0.584 57.632 58.200 0.027 0.000 0.971 203 S CB 2.314 65.606 63.200 0.154 0.000 1.041 203 S HN 0.037 nan 8.310 nan 0.000 0.483 204 P HA 0.286 nan 4.420 nan 0.000 0.261 204 P C 0.264 177.382 177.300 -0.304 0.000 1.268 204 P CA -0.004 62.843 63.100 -0.421 0.000 0.833 204 P CB 0.018 31.273 31.700 -0.741 0.000 1.231 205 A N 0.515 123.200 122.820 -0.225 0.000 2.327 205 A HA 0.193 4.513 4.320 -0.000 0.000 0.255 205 A C -0.439 176.867 177.584 -0.463 0.000 1.099 205 A CA -0.168 51.643 52.037 -0.378 0.000 0.801 205 A CB -0.580 18.154 19.000 -0.444 0.000 1.062 205 A HN 0.221 nan 8.150 nan 0.000 0.496 206 H N -0.550 118.376 119.070 -0.241 0.000 2.668 206 H HA 0.471 5.027 4.556 -0.000 0.000 0.303 206 H C -1.373 173.756 175.328 -0.331 0.000 1.074 206 H CA 0.774 56.776 56.048 -0.077 0.000 1.406 206 H CB 0.318 30.206 29.762 0.210 0.000 1.442 206 H HN 0.557 nan 8.280 nan 0.000 0.482 207 Y N 2.963 123.339 120.300 0.126 0.000 2.485 207 Y HA 0.442 4.992 4.550 -0.000 0.000 0.345 207 Y C 0.265 176.182 175.900 0.029 0.000 0.998 207 Y CA -1.132 56.996 58.100 0.046 0.000 1.059 207 Y CB 1.480 39.950 38.460 0.017 0.000 1.234 207 Y HN 0.479 nan 8.280 nan 0.000 0.461 208 I N -2.007 118.636 120.570 0.123 0.000 3.322 208 I HA 0.823 4.993 4.170 -0.000 0.000 0.313 208 I C -1.094 175.040 176.117 0.029 0.000 1.129 208 I CA -1.145 60.182 61.300 0.045 0.000 0.963 208 I CB 2.585 40.551 38.000 -0.056 0.000 1.273 208 I HN 0.381 nan 8.210 nan 0.000 0.473 209 S N 1.767 117.475 115.700 0.014 0.000 2.596 209 S HA 0.747 5.217 4.470 -0.000 0.000 0.318 209 S C -0.291 174.309 174.600 0.000 0.000 1.097 209 S CA -0.606 57.603 58.200 0.014 0.000 1.080 209 S CB 1.435 64.652 63.200 0.029 0.000 0.991 209 S HN 0.847 nan 8.310 nan 0.000 0.471 210 A N 3.029 125.841 122.820 -0.013 0.000 2.290 210 A HA 0.627 4.947 4.320 -0.000 0.000 0.310 210 A C 0.846 178.436 177.584 0.010 0.000 1.202 210 A CA -0.646 51.388 52.037 -0.005 0.000 0.837 210 A CB 0.488 19.473 19.000 -0.026 0.000 1.139 210 A HN 0.680 nan 8.150 nan 0.000 0.509 211 R N 0.757 121.272 120.500 0.024 0.000 2.308 211 R HA 0.157 4.497 4.340 -0.000 0.000 0.202 211 R C 0.094 176.408 176.300 0.023 0.000 0.898 211 R CA 1.005 57.119 56.100 0.024 0.000 1.046 211 R CB -0.242 30.078 30.300 0.032 0.000 1.026 211 R HN 0.854 nan 8.270 nan 0.000 0.512 212 S N -0.568 115.148 115.700 0.026 0.000 2.570 212 S HA 0.660 5.130 4.470 -0.000 0.000 0.270 212 S C -0.550 174.064 174.600 0.024 0.000 1.149 212 S CA -0.905 57.309 58.200 0.024 0.000 0.837 212 S CB 2.056 65.275 63.200 0.032 0.000 1.124 212 S HN 0.009 nan 8.310 nan 0.000 0.465 213 I N 1.282 121.861 120.570 0.014 0.000 2.545 213 I HA 0.621 4.791 4.170 -0.000 0.000 0.292 213 I C -1.252 174.875 176.117 0.017 0.000 1.040 213 I CA -1.098 60.209 61.300 0.012 0.000 1.068 213 I CB 2.229 40.215 38.000 -0.023 0.000 1.251 213 I HN 0.482 nan 8.210 nan 0.000 0.424 214 V N 6.344 126.282 119.914 0.039 0.000 2.588 214 V HA 0.425 4.545 4.120 -0.000 0.000 0.304 214 V C -0.342 175.785 176.094 0.056 0.000 1.042 214 V CA -0.720 61.606 62.300 0.042 0.000 0.877 214 V CB 2.416 34.272 31.823 0.055 0.000 0.996 214 V HN 0.397 nan 8.190 nan 0.000 0.425 215 V N 4.696 124.635 119.914 0.042 0.000 2.384 215 V HA 0.780 4.900 4.120 -0.000 0.000 0.287 215 V C 1.067 177.180 176.094 0.032 0.000 1.020 215 V CA 0.843 63.179 62.300 0.059 0.000 0.850 215 V CB 0.541 32.398 31.823 0.055 0.000 0.987 215 V HN 1.273 nan 8.190 nan 0.000 0.436 216 G N 4.957 113.779 108.800 0.036 0.000 2.620 216 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.315 216 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.315 216 G C 0.464 175.379 174.900 0.025 0.000 1.179 216 G CA 0.742 45.852 45.100 0.015 0.000 0.971 216 G HN 0.621 nan 8.290 nan 0.000 0.544 217 D N 1.387 121.796 120.400 0.014 0.000 2.433 217 D HA 0.293 4.933 4.640 -0.000 0.000 0.211 217 D C 1.055 177.364 176.300 0.016 0.000 1.114 217 D CA 1.154 55.165 54.000 0.018 0.000 0.837 217 D CB 0.454 41.261 40.800 0.011 0.000 0.984 217 D HN 0.736 nan 8.370 nan 0.000 0.505 218 T N -1.638 112.924 114.554 0.013 0.000 2.779 218 T HA 0.478 4.828 4.350 -0.000 0.000 0.280 218 T C 0.124 174.831 174.700 0.011 0.000 0.987 218 T CA -0.891 61.214 62.100 0.009 0.000 0.966 218 T CB 2.411 71.280 68.868 0.002 0.000 0.933 218 T HN -0.205 nan 8.240 nan 0.000 0.442 219 R N 2.400 122.907 120.500 0.012 0.000 2.570 219 R HA 0.341 4.681 4.340 -0.000 0.000 0.277 219 R C -0.290 176.011 176.300 0.001 0.000 1.039 219 R CA -0.196 55.911 56.100 0.010 0.000 1.065 219 R CB 0.183 30.490 30.300 0.012 0.000 0.964 219 R HN 0.654 nan 8.270 nan 0.000 0.428 220 V N 8.044 127.955 119.914 -0.006 0.000 2.470 220 V HA 0.173 4.292 4.120 -0.000 0.000 0.276 220 V C -1.886 174.199 176.094 -0.016 0.000 1.040 220 V CA -1.403 60.885 62.300 -0.020 0.000 1.008 220 V CB 1.051 32.849 31.823 -0.041 0.000 0.990 220 V HN 0.823 nan 8.190 nan 0.000 0.477 221 P HA 0.278 nan 4.420 nan 0.000 0.276 221 P C -0.652 176.641 177.300 -0.011 0.000 1.264 221 P CA 0.039 63.133 63.100 -0.009 0.000 0.769 221 P CB 0.747 32.443 31.700 -0.007 0.000 0.840 222 V N 2.164 122.073 119.914 -0.008 0.000 2.815 222 V HA 0.739 4.859 4.120 -0.000 0.000 0.314 222 V C -2.392 173.701 176.094 -0.002 0.000 1.064 222 V CA -2.755 59.541 62.300 -0.007 0.000 0.952 222 V CB 0.886 32.704 31.823 -0.009 0.000 1.020 222 V HN 0.241 nan 8.190 nan 0.000 0.439 223 P HA 0.189 nan 4.420 nan 0.000 0.270 223 P C -0.508 176.793 177.300 0.002 0.000 1.227 223 P CA -0.093 63.008 63.100 0.002 0.000 0.788 223 P CB 0.280 31.983 31.700 0.004 0.000 0.926 224 E N 0.415 120.617 120.200 0.003 0.000 2.366 224 E HA 0.318 4.668 4.350 -0.000 0.000 0.266 224 E C 1.157 177.759 176.600 0.002 0.000 1.015 224 E CA 1.074 57.476 56.400 0.003 0.000 0.906 224 E CB -0.718 28.984 29.700 0.003 0.000 0.979 224 E HN 0.696 nan 8.360 nan 0.000 0.443 225 G N 3.048 111.849 108.800 0.002 0.000 2.179 225 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.260 225 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.260 225 G C 1.073 175.973 174.900 0.000 0.000 0.977 225 G CA 0.624 45.725 45.100 0.001 0.000 0.641 225 G HN 0.901 nan 8.290 nan 0.000 0.533 226 A N -0.330 122.491 122.820 0.001 0.000 1.883 226 A HA 0.341 4.661 4.320 -0.000 0.000 0.217 226 A C 1.401 178.985 177.584 0.001 0.000 1.186 226 A CA 1.450 53.488 52.037 0.002 0.000 0.624 226 A CB -0.155 18.846 19.000 0.003 0.000 0.822 226 A HN 0.922 nan 8.150 nan 0.000 0.444 227 L N 0.172 121.396 121.223 0.001 0.000 2.255 227 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 227 L C 0.188 177.059 176.870 0.002 0.000 1.046 227 L CA -0.431 54.410 54.840 0.001 0.000 0.816 227 L CB 1.052 43.111 42.059 0.001 0.000 1.197 227 L HN 0.339 nan 8.230 nan 0.000 0.427 228 A N 2.234 125.054 122.820 -0.001 0.000 2.435 228 A HA 0.741 5.061 4.320 -0.000 0.000 0.296 228 A C -0.109 177.473 177.584 -0.003 0.000 1.147 228 A CA -0.570 51.465 52.037 -0.004 0.000 0.775 228 A CB 1.185 20.178 19.000 -0.012 0.000 1.340 228 A HN 0.500 nan 8.150 nan 0.000 0.427 229 T N 1.011 115.562 114.554 -0.005 0.000 2.908 229 T HA 0.401 4.751 4.350 -0.000 0.000 0.301 229 T C 1.336 176.027 174.700 -0.016 0.000 1.019 229 T CA 1.743 63.842 62.100 -0.001 0.000 1.152 229 T CB 0.151 69.018 68.868 -0.002 0.000 0.966 229 T HN 2.150 nan 8.240 nan 0.000 0.540 230 G N 2.669 111.475 108.800 0.009 0.000 2.179 230 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 230 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 230 G C 0.997 175.917 174.900 0.034 0.000 1.010 230 G CA 0.202 45.315 45.100 0.021 0.000 0.736 230 G HN 1.132 nan 8.290 nan 0.000 0.513 231 G N -1.327 107.491 108.800 0.031 0.000 2.813 231 G HA2 0.369 4.329 3.960 -0.000 0.000 0.209 231 G HA3 0.369 4.329 3.960 -0.000 0.000 0.209 231 G C 0.493 175.429 174.900 0.059 0.000 1.150 231 G CA 0.904 46.023 45.100 0.032 0.000 0.785 231 G HN 0.967 nan 8.290 nan 0.000 0.535 232 V N 1.384 121.337 119.914 0.065 0.000 2.384 232 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 232 V C -0.141 175.974 176.094 0.034 0.000 1.020 232 V CA -0.627 61.673 62.300 0.000 0.000 0.850 232 V CB 1.613 33.367 31.823 -0.115 0.000 0.987 232 V HN 0.280 nan 8.190 nan 0.000 0.436 233 M N 5.432 125.024 119.600 -0.013 0.000 2.478 233 M HA 0.637 5.117 4.480 -0.000 0.000 0.327 233 M C -1.419 174.768 176.300 -0.188 0.000 1.187 233 M CA -0.592 54.600 55.300 -0.180 0.000 1.022 233 M CB 1.630 34.118 32.600 -0.186 0.000 1.629 233 M HN 0.495 nan 8.290 nan 0.000 0.461 234 L N 2.304 123.422 121.223 -0.176 0.000 2.309 234 L HA 0.605 4.945 4.340 -0.000 0.000 0.282 234 L C -0.393 176.445 176.870 -0.054 0.000 1.036 234 L CA -0.483 54.304 54.840 -0.090 0.000 0.806 234 L CB 1.806 43.899 42.059 0.057 0.000 1.220 234 L HN 0.705 nan 8.230 nan 0.000 0.429 235 S N -0.292 115.378 115.700 -0.049 0.000 2.536 235 S HA 0.437 4.907 4.470 -0.000 0.000 0.271 235 S C 0.165 174.756 174.600 -0.016 0.000 1.134 235 S CA -0.421 57.756 58.200 -0.038 0.000 0.897 235 S CB 1.686 64.847 63.200 -0.064 0.000 1.094 235 S HN 0.719 nan 8.310 nan 0.000 0.473 236 T N 1.498 116.057 114.554 0.009 0.000 3.134 236 T HA 0.306 4.656 4.350 -0.000 0.000 0.260 236 T C 1.139 175.871 174.700 0.053 0.000 1.027 236 T CA -0.349 61.794 62.100 0.073 0.000 0.913 236 T CB -0.088 68.839 68.868 0.098 0.000 1.046 236 T HN 0.559 nan 8.240 nan 0.000 0.553 237 R N 0.304 120.790 120.500 -0.023 0.000 2.161 237 R HA 0.374 4.714 4.340 -0.000 0.000 0.213 237 R C 0.276 176.501 176.300 -0.125 0.000 1.055 237 R CA 0.560 56.624 56.100 -0.060 0.000 0.996 237 R CB 0.012 30.279 30.300 -0.055 0.000 0.901 237 R HN 0.360 nan 8.270 nan 0.000 0.456 238 L N 0.387 121.492 121.223 -0.197 0.000 2.354 238 L HA 0.349 4.689 4.340 -0.000 0.000 0.264 238 L C -1.906 174.787 176.870 -0.294 0.000 1.008 238 L CA -2.241 52.364 54.840 -0.391 0.000 0.819 238 L CB 2.526 44.115 42.059 -0.782 0.000 1.339 238 L HN -0.206 nan 8.230 nan 0.000 0.420 239 P HA -0.021 nan 4.420 nan 0.000 0.235 239 P C -0.599 176.716 177.300 0.025 0.000 1.177 239 P CA 0.899 63.991 63.100 -0.014 0.000 0.785 239 P CB 0.002 31.764 31.700 0.102 0.000 0.885 240 Y N -2.084 118.246 120.300 0.051 0.000 2.596 240 Y HA 0.611 5.161 4.550 -0.000 0.000 0.326 240 Y C 0.021 175.908 175.900 -0.022 0.000 1.167 240 Y CA -2.148 55.970 58.100 0.030 0.000 1.246 240 Y CB 0.019 38.555 38.460 0.127 0.000 1.347 240 Y HN -0.440 nan 8.280 nan 0.000 0.515 241 V N 2.949 122.968 119.914 0.174 0.000 2.498 241 V HA 0.228 4.348 4.120 -0.000 0.000 0.279 241 V C 0.079 176.347 176.094 0.290 0.000 1.048 241 V CA -0.695 61.688 62.300 0.139 0.000 0.967 241 V CB 0.800 32.699 31.823 0.126 0.000 0.988 241 V HN 0.622 nan 8.190 nan 0.000 0.473 242 L N 5.841 127.180 121.223 0.194 0.000 2.307 242 L HA 0.566 4.906 4.340 -0.000 0.000 0.282 242 L C -0.514 176.458 176.870 0.171 0.000 1.051 242 L CA -0.281 54.672 54.840 0.188 0.000 0.804 242 L CB 1.229 43.353 42.059 0.110 0.000 1.197 242 L HN 0.420 nan 8.230 nan 0.000 0.431 243 L N 3.696 125.032 121.223 0.188 0.000 2.381 243 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 243 L C 0.027 176.970 176.870 0.121 0.000 0.988 243 L CA -0.659 54.287 54.840 0.177 0.000 0.824 243 L CB 2.056 44.278 42.059 0.272 0.000 1.263 243 L HN 0.588 nan 8.230 nan 0.000 0.410 244 R N 3.506 124.056 120.500 0.083 0.000 2.640 244 R HA 0.048 4.388 4.340 -0.000 0.000 0.270 244 R C -1.557 174.791 176.300 0.080 0.000 1.024 244 R CA -0.993 55.141 56.100 0.056 0.000 1.085 244 R CB 0.915 31.240 30.300 0.041 0.000 0.963 244 R HN 0.290 nan 8.270 nan 0.000 0.426 245 P HA -0.210 nan 4.420 nan 0.000 0.216 245 P C 0.320 177.683 177.300 0.105 0.000 1.150 245 P CA 1.447 64.597 63.100 0.082 0.000 0.843 245 P CB 0.047 31.764 31.700 0.028 0.000 0.787 246 D N -0.972 119.465 120.400 0.062 0.000 2.264 246 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 246 D C 1.584 177.908 176.300 0.039 0.000 0.966 246 D CA 1.095 55.121 54.000 0.044 0.000 0.864 246 D CB -0.758 40.057 40.800 0.026 0.000 0.933 246 D HN 0.099 nan 8.370 nan 0.000 0.499 247 V N -0.183 119.760 119.914 0.049 0.000 2.685 247 V HA -0.109 4.011 4.120 -0.000 0.000 0.244 247 V C 2.191 178.292 176.094 0.011 0.000 1.054 247 V CA 0.399 62.710 62.300 0.018 0.000 1.076 247 V CB -0.833 30.997 31.823 0.012 0.000 0.725 247 V HN 0.058 nan 8.190 nan 0.000 0.467 248 Y N 2.125 122.403 120.300 -0.036 0.000 2.081 248 Y HA -0.357 4.193 4.550 -0.000 0.000 0.280 248 Y C 2.756 178.632 175.900 -0.040 0.000 1.163 248 Y CA 2.669 60.747 58.100 -0.038 0.000 1.135 248 Y CB -0.213 38.244 38.460 -0.005 0.000 0.970 248 Y HN 0.170 nan 8.280 nan 0.000 0.498 249 R N 0.833 121.360 120.500 0.045 0.000 2.082 249 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 249 R C -0.728 175.506 176.300 -0.110 0.000 1.136 249 R CA 2.236 58.323 56.100 -0.022 0.000 0.935 249 R CB -1.675 28.670 30.300 0.075 0.000 0.842 249 R HN 0.323 nan 8.270 nan 0.000 0.430 250 P HA -0.153 nan 4.420 nan 0.000 0.217 250 P C 1.553 178.782 177.300 -0.118 0.000 1.150 250 P CA 1.179 64.233 63.100 -0.076 0.000 0.832 250 P CB -0.124 31.548 31.700 -0.047 0.000 0.787 251 L N -1.523 119.588 121.223 -0.187 0.000 2.027 251 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 251 L C 2.603 179.311 176.870 -0.270 0.000 1.074 251 L CA 1.634 56.321 54.840 -0.255 0.000 0.745 251 L CB -0.564 41.262 42.059 -0.388 0.000 0.898 251 L HN -0.123 nan 8.230 nan 0.000 0.433 252 M N 0.014 119.373 119.600 -0.401 0.000 2.175 252 M HA -0.202 4.278 4.480 -0.000 0.000 0.264 252 M C 1.622 177.866 176.300 -0.093 0.000 1.063 252 M CA 1.759 56.861 55.300 -0.329 0.000 1.119 252 M CB -0.517 31.684 32.600 -0.665 0.000 1.377 252 M HN 0.210 nan 8.290 nan 0.000 0.415 253 D N 0.163 120.500 120.400 -0.104 0.000 2.117 253 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 253 D C 1.974 178.280 176.300 0.009 0.000 0.987 253 D CA 1.751 55.736 54.000 -0.025 0.000 0.829 253 D CB -0.421 40.361 40.800 -0.029 0.000 0.961 253 D HN 0.492 nan 8.370 nan 0.000 0.460 254 A N 0.104 122.922 122.820 -0.003 0.000 1.898 254 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 254 A C 2.107 179.722 177.584 0.051 0.000 1.181 254 A CA 0.872 52.916 52.037 0.012 0.000 0.620 254 A CB -0.906 18.091 19.000 -0.005 0.000 0.819 254 A HN 0.239 nan 8.150 nan 0.000 0.442 255 F N 1.714 121.625 119.950 -0.066 0.000 2.113 255 F HA -0.171 4.356 4.527 0.000 0.000 0.297 255 F C 2.804 178.606 175.800 0.003 0.000 1.103 255 F CA 2.419 60.404 58.000 -0.024 0.000 1.248 255 F CB -0.412 38.581 39.000 -0.012 0.000 0.999 255 F HN 0.342 nan 8.300 nan 0.000 0.475 256 T N -1.867 112.843 114.554 0.260 0.000 2.904 256 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 256 T C 2.071 176.807 174.700 0.061 0.000 1.059 256 T CA 1.355 63.579 62.100 0.206 0.000 1.137 256 T CB -0.533 68.479 68.868 0.239 0.000 0.879 256 T HN 0.335 nan 8.240 nan 0.000 0.467 257 K N 1.589 122.007 120.400 0.029 0.000 2.026 257 K HA 0.045 4.365 4.320 -0.000 0.000 0.208 257 K C 2.631 179.202 176.600 -0.049 0.000 1.048 257 K CA 1.212 57.497 56.287 -0.004 0.000 0.929 257 K CB -0.640 31.858 32.500 -0.003 0.000 0.713 257 K HN 0.380 nan 8.250 nan 0.000 0.439 258 A N 1.364 124.131 122.820 -0.089 0.000 1.902 258 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 258 A C 2.050 179.522 177.584 -0.186 0.000 1.181 258 A CA 1.305 53.263 52.037 -0.133 0.000 0.623 258 A CB -0.614 18.290 19.000 -0.160 0.000 0.818 258 A HN 0.406 nan 8.150 nan 0.000 0.443 259 L N -0.136 120.924 121.223 -0.272 0.000 2.046 259 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 259 L C 2.579 179.335 176.870 -0.191 0.000 1.077 259 L CA 2.161 56.811 54.840 -0.317 0.000 0.747 259 L CB -0.843 40.939 42.059 -0.462 0.000 0.896 259 L HN 0.326 nan 8.230 nan 0.000 0.432 260 A N -0.720 122.038 122.820 -0.104 0.000 2.070 260 A HA 0.023 4.343 4.320 -0.000 0.000 0.220 260 A C 2.236 179.791 177.584 -0.049 0.000 1.159 260 A CA 1.401 53.412 52.037 -0.044 0.000 0.656 260 A CB -0.883 18.122 19.000 0.007 0.000 0.800 260 A HN 0.548 nan 8.150 nan 0.000 0.453 261 A N -1.110 121.672 122.820 -0.063 0.000 2.275 261 A HA 0.246 4.566 4.320 -0.000 0.000 0.212 261 A C 1.137 178.687 177.584 -0.056 0.000 1.201 261 A CA -0.110 51.897 52.037 -0.050 0.000 0.843 261 A CB -0.081 18.891 19.000 -0.047 0.000 0.873 261 A HN 0.662 nan 8.150 nan 0.000 0.492 267 A N 0.756 123.572 122.820 -0.006 0.000 2.386 267 A HA 0.682 5.002 4.320 -0.000 0.000 0.246 267 A C -1.564 176.017 177.584 -0.005 0.000 1.089 267 A CA -0.560 51.475 52.037 -0.005 0.000 0.790 267 A CB -0.363 18.633 19.000 -0.006 0.000 1.042 267 A HN 0.158 nan 8.150 nan 0.000 0.497 268 P HA 0.242 nan 4.420 nan 0.000 0.266 268 P C -0.748 176.547 177.300 -0.009 0.000 1.193 268 P CA -0.112 62.988 63.100 -0.000 0.000 0.770 268 P CB 0.329 32.033 31.700 0.006 0.000 0.836 269 V N 2.181 122.091 119.914 -0.005 0.000 2.567 269 V HA 0.407 4.527 4.120 -0.000 0.000 0.289 269 V C 0.647 176.738 176.094 -0.005 0.000 1.049 269 V CA -0.855 61.438 62.300 -0.013 0.000 0.969 269 V CB 1.020 32.840 31.823 -0.005 0.000 0.995 269 V HN 0.761 nan 8.190 nan 0.000 0.471 270 A N 5.075 127.874 122.820 -0.034 0.000 2.567 270 A HA 0.269 4.589 4.320 -0.000 0.000 0.240 270 A C 0.443 178.103 177.584 0.127 0.000 1.053 270 A CA 0.335 52.356 52.037 -0.026 0.000 0.755 270 A CB -0.203 18.661 19.000 -0.228 0.000 0.978 270 A HN 0.850 nan 8.150 nan 0.000 0.507 271 R N 2.567 123.196 120.500 0.216 0.000 2.409 271 R HA 0.542 4.882 4.340 -0.000 0.000 0.313 271 R C -0.140 176.287 176.300 0.211 0.000 0.953 271 R CA -0.215 55.993 56.100 0.179 0.000 0.849 271 R CB 1.209 31.561 30.300 0.087 0.000 1.171 271 R HN 0.931 nan 8.270 nan 0.000 0.458 272 A N 3.657 126.508 122.820 0.052 0.000 2.407 272 A HA 0.438 4.757 4.320 -0.000 0.000 0.248 272 A C 0.057 177.549 177.584 -0.154 0.000 1.082 272 A CA -0.302 51.566 52.037 -0.281 0.000 0.785 272 A CB 0.551 19.370 19.000 -0.301 0.000 1.020 272 A HN 0.631 nan 8.150 nan 0.000 0.489 273 V N -0.154 119.643 119.914 -0.195 0.000 3.158 273 V HA 0.618 4.738 4.120 -0.000 0.000 0.311 273 V C 0.043 176.075 176.094 -0.103 0.000 1.181 273 V CA -0.992 61.246 62.300 -0.103 0.000 1.054 273 V CB 1.218 33.003 31.823 -0.064 0.000 1.085 273 V HN 1.000 nan 8.190 nan 0.000 0.446 274 E N 1.164 121.328 120.200 -0.060 0.000 2.452 274 E HA 0.366 4.716 4.350 -0.000 0.000 0.261 274 E C 0.365 176.938 176.600 -0.044 0.000 0.987 274 E CA 0.252 56.625 56.400 -0.045 0.000 0.926 274 E CB 0.916 30.601 29.700 -0.025 0.000 0.934 274 E HN 1.186 nan 8.360 nan 0.000 0.452 275 A N 3.685 126.484 122.820 -0.034 0.000 2.445 275 A HA 0.248 4.568 4.320 -0.000 0.000 0.242 275 A C -0.454 177.142 177.584 0.020 0.000 1.075 275 A CA -0.478 51.553 52.037 -0.009 0.000 0.777 275 A CB 0.782 19.786 19.000 0.006 0.000 1.013 275 A HN 0.439 nan 8.150 nan 0.000 0.493 276 V N 2.327 122.278 119.914 0.061 0.000 2.370 276 V HA 0.501 4.621 4.120 -0.000 0.000 0.283 276 V C 0.864 177.046 176.094 0.146 0.000 1.023 276 V CA -0.297 62.057 62.300 0.090 0.000 0.857 276 V CB 0.859 32.739 31.823 0.095 0.000 0.985 276 V HN 1.184 nan 8.190 nan 0.000 0.443 277 A N 7.503 130.358 122.820 0.059 0.000 2.531 277 A HA 0.414 4.734 4.320 -0.000 0.000 0.236 277 A C -0.842 176.718 177.584 -0.039 0.000 1.062 277 A CA -0.567 51.464 52.037 -0.011 0.000 0.760 277 A CB -0.038 18.946 19.000 -0.027 0.000 0.995 277 A HN 0.770 nan 8.150 nan 0.000 0.501 278 P HA 0.172 nan 4.420 nan 0.000 0.257 278 P C -0.412 176.578 177.300 -0.517 0.000 1.325 278 P CA 0.028 62.897 63.100 -0.385 0.000 0.850 278 P CB -0.065 31.374 31.700 -0.435 0.000 1.324 279 F N 0.127 119.950 119.950 -0.211 0.000 2.380 279 F HA 0.470 4.997 4.527 -0.000 0.000 0.325 279 F C 2.053 177.779 175.800 -0.123 0.000 1.136 279 F CA 0.224 58.095 58.000 -0.216 0.000 1.171 279 F CB 0.423 39.317 39.000 -0.177 0.000 1.230 279 F HN -0.173 nan 8.300 nan 0.000 0.554 280 G N 0.046 108.921 108.800 0.124 0.000 2.743 280 G HA2 0.306 4.266 3.960 -0.000 0.000 0.206 280 G HA3 0.306 4.266 3.960 -0.000 0.000 0.206 280 G C -0.517 174.431 174.900 0.079 0.000 1.115 280 G CA 0.135 45.287 45.100 0.086 0.000 0.782 280 G HN 0.342 nan 8.290 nan 0.000 0.524 281 V N 0.757 120.719 119.914 0.080 0.000 2.524 281 V HA 0.505 4.625 4.120 -0.000 0.000 0.297 281 V C -0.861 175.170 176.094 -0.106 0.000 1.035 281 V CA -0.929 61.357 62.300 -0.024 0.000 0.867 281 V CB 1.304 33.157 31.823 0.050 0.000 1.004 281 V HN 0.179 nan 8.190 nan 0.000 0.426 282 c N 4.156 122.593 118.600 -0.271 0.000 2.898 282 c HA 0.833 5.403 4.570 -0.000 0.000 0.304 282 c C -1.011 172.797 174.090 -0.470 0.000 1.237 282 c CA -1.092 55.085 56.329 -0.252 0.000 1.529 282 c CB 1.795 44.214 42.510 -0.151 0.000 2.021 282 c HN 0.791 nan 8.230 nan 0.000 0.474 283 Y N -0.079 120.170 120.300 -0.085 0.000 2.536 283 Y HA 0.390 4.940 4.550 -0.000 0.000 0.347 283 Y C 0.063 175.910 175.900 -0.089 0.000 1.000 283 Y CA -0.539 57.514 58.100 -0.079 0.000 1.051 283 Y CB 0.855 39.257 38.460 -0.097 0.000 1.259 283 Y HN 0.622 nan 8.280 nan 0.000 0.468 284 D N 1.006 121.472 120.400 0.109 0.000 2.382 284 D HA -0.004 4.636 4.640 -0.000 0.000 0.259 284 D C 1.142 177.464 176.300 0.037 0.000 1.224 284 D CA 0.443 54.475 54.000 0.053 0.000 0.894 284 D CB 1.171 42.002 40.800 0.051 0.000 1.127 284 D HN 0.758 nan 8.370 nan 0.000 0.487 285 T N 1.490 116.054 114.554 0.018 0.000 2.962 285 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 285 T C 1.503 176.241 174.700 0.064 0.000 1.088 285 T CA 0.799 62.911 62.100 0.020 0.000 1.127 285 T CB -0.074 68.852 68.868 0.096 0.000 0.883 285 T HN 0.404 nan 8.240 nan 0.000 0.493 286 K N 1.406 121.836 120.400 0.051 0.000 2.360 286 K HA -0.035 4.285 4.320 -0.000 0.000 0.201 286 K C 2.088 178.709 176.600 0.035 0.000 1.046 286 K CA 1.510 57.825 56.287 0.046 0.000 0.945 286 K CB -0.244 32.276 32.500 0.035 0.000 0.750 286 K HN 0.676 nan 8.250 nan 0.000 0.464 287 T N -1.860 112.709 114.554 0.025 0.000 3.134 287 T HA 0.273 4.623 4.350 -0.000 0.000 0.260 287 T C 0.297 174.981 174.700 -0.026 0.000 1.027 287 T CA -0.407 61.698 62.100 0.009 0.000 0.913 287 T CB -0.059 68.824 68.868 0.025 0.000 1.046 287 T HN -0.099 nan 8.240 nan 0.000 0.553 288 L N 1.326 122.540 121.223 -0.015 0.000 2.346 288 L HA 0.769 5.109 4.340 -0.000 0.000 0.276 288 L C 0.925 177.846 176.870 0.086 0.000 1.006 288 L CA -1.333 53.493 54.840 -0.023 0.000 0.817 288 L CB 1.777 43.760 42.059 -0.127 0.000 1.272 288 L HN 0.251 nan 8.230 nan 0.000 0.421 289 G N 1.613 110.450 108.800 0.062 0.000 2.525 289 G HA2 0.491 4.451 3.960 -0.000 0.000 0.287 289 G HA3 0.491 4.451 3.960 -0.000 0.000 0.287 289 G C -0.834 174.132 174.900 0.110 0.000 1.350 289 G CA -0.385 44.755 45.100 0.066 0.000 1.039 289 G HN 0.788 nan 8.290 nan 0.000 0.513 290 N N -1.906 116.819 118.700 0.042 0.000 2.610 290 N HA 0.575 5.315 4.740 -0.000 0.000 0.264 290 N C -0.914 174.585 175.510 -0.018 0.000 1.348 290 N CA -0.906 52.148 53.050 0.008 0.000 0.819 290 N CB 1.819 40.270 38.487 -0.061 0.000 1.521 290 N HN 0.696 nan 8.380 nan 0.000 0.497 291 N N -1.160 117.521 118.700 -0.032 0.000 3.344 291 N HA 0.320 5.060 4.740 -0.000 0.000 0.296 291 N C -0.432 175.036 175.510 -0.069 0.000 1.571 291 N CA -1.018 52.003 53.050 -0.048 0.000 0.844 291 N CB 0.561 39.025 38.487 -0.037 0.000 1.718 291 N HN 0.389 nan 8.380 nan 0.000 0.589 292 L N -0.835 120.324 121.223 -0.107 0.000 2.456 292 L HA 0.150 4.490 4.340 -0.000 0.000 0.224 292 L C 1.650 178.475 176.870 -0.075 0.000 1.148 292 L CA 1.354 56.101 54.840 -0.154 0.000 0.825 292 L CB -0.593 41.237 42.059 -0.381 0.000 0.937 292 L HN 0.898 nan 8.230 nan 0.000 0.450 293 G N -0.933 107.841 108.800 -0.043 0.000 3.088 293 G HA2 0.434 4.394 3.960 -0.000 0.000 0.217 293 G HA3 0.434 4.394 3.960 -0.000 0.000 0.217 293 G C 0.733 175.637 174.900 0.007 0.000 1.159 293 G CA 0.509 45.606 45.100 -0.005 0.000 0.760 293 G HN 0.501 nan 8.290 nan 0.000 0.550 294 G N -0.783 108.003 108.800 -0.022 0.000 2.337 294 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.197 294 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.197 294 G C -0.577 174.305 174.900 -0.030 0.000 1.238 294 G CA -0.916 44.152 45.100 -0.055 0.000 1.119 294 G HN 0.129 nan 8.290 nan 0.000 0.514 295 Y N 1.128 121.437 120.300 0.014 0.000 2.788 295 Y HA 0.337 4.887 4.550 -0.000 0.000 0.341 295 Y C 1.433 177.329 175.900 -0.007 0.000 1.258 295 Y CA 1.073 59.175 58.100 0.002 0.000 1.503 295 Y CB 0.693 39.161 38.460 0.012 0.000 1.325 295 Y HN 1.036 nan 8.280 nan 0.000 0.614 296 A N 4.384 127.300 122.820 0.160 0.000 3.004 296 A HA 0.517 4.837 4.320 -0.000 0.000 0.286 296 A C -0.422 177.152 177.584 -0.017 0.000 1.632 296 A CA -0.288 51.777 52.037 0.046 0.000 1.339 296 A CB -1.362 17.646 19.000 0.015 0.000 1.136 296 A HN 0.573 nan 8.150 nan 0.000 0.577 297 V N -1.164 118.742 119.914 -0.014 0.000 3.046 297 V HA 0.760 4.880 4.120 -0.000 0.000 0.316 297 V C -3.034 172.965 176.094 -0.158 0.000 1.104 297 V CA -2.931 59.281 62.300 -0.147 0.000 1.006 297 V CB 1.379 33.178 31.823 -0.040 0.000 1.058 297 V HN 0.369 nan 8.190 nan 0.000 0.440 298 P HA 0.180 nan 4.420 nan 0.000 0.264 298 P C -0.596 176.724 177.300 0.033 0.000 1.193 298 P CA 0.211 63.178 63.100 -0.221 0.000 0.763 298 P CB 0.007 31.465 31.700 -0.402 0.000 0.810 299 N N 1.685 120.428 118.700 0.071 0.000 2.454 299 N HA 0.121 4.861 4.740 -0.000 0.000 0.254 299 N C -0.478 175.151 175.510 0.199 0.000 1.228 299 N CA 0.237 53.376 53.050 0.148 0.000 0.900 299 N CB 0.239 38.787 38.487 0.102 0.000 1.089 299 N HN 0.064 nan 8.380 nan 0.000 0.449 300 V N 1.975 122.048 119.914 0.264 0.000 2.588 300 V HA 0.342 4.462 4.120 -0.000 0.000 0.304 300 V C -0.456 175.784 176.094 0.242 0.000 1.042 300 V CA -0.750 61.706 62.300 0.260 0.000 0.877 300 V CB 1.849 33.894 31.823 0.370 0.000 0.996 300 V HN 0.508 nan 8.190 nan 0.000 0.425 301 Q N 3.635 123.548 119.800 0.187 0.000 2.353 301 Q HA 0.700 5.040 4.340 -0.000 0.000 0.268 301 Q C -1.228 174.869 176.000 0.160 0.000 1.045 301 Q CA -0.327 55.595 55.803 0.199 0.000 0.811 301 Q CB 2.663 31.498 28.738 0.162 0.000 1.305 301 Q HN 0.673 nan 8.270 nan 0.000 0.447 302 L N 1.506 122.839 121.223 0.183 0.000 2.265 302 L HA 0.616 4.956 4.340 -0.000 0.000 0.289 302 L C 0.554 177.504 176.870 0.133 0.000 1.033 302 L CA -0.987 53.917 54.840 0.107 0.000 0.814 302 L CB 1.253 43.326 42.059 0.023 0.000 1.203 302 L HN 0.716 nan 8.230 nan 0.000 0.423 303 G N 5.192 114.052 108.800 0.100 0.000 2.394 303 G HA2 0.476 4.435 3.960 -0.000 0.000 0.298 303 G HA3 0.476 4.435 3.960 -0.000 0.000 0.298 303 G C -0.228 174.728 174.900 0.094 0.000 1.087 303 G CA -0.353 44.813 45.100 0.110 0.000 1.035 303 G HN 0.402 nan 8.290 nan 0.000 0.420 304 L N 2.096 123.396 121.223 0.128 0.000 2.360 304 L HA 0.296 4.636 4.340 -0.000 0.000 0.271 304 L C 0.001 176.945 176.870 0.124 0.000 1.057 304 L CA -1.253 53.646 54.840 0.099 0.000 0.803 304 L CB 1.187 43.290 42.059 0.075 0.000 1.207 304 L HN 0.315 nan 8.230 nan 0.000 0.445 305 D N 1.532 121.989 120.400 0.096 0.000 2.571 305 D HA 0.201 4.841 4.640 -0.000 0.000 0.231 305 D C 0.983 177.367 176.300 0.141 0.000 1.133 305 D CA 1.742 55.803 54.000 0.100 0.000 0.862 305 D CB 0.948 41.798 40.800 0.083 0.000 1.179 305 D HN 0.818 nan 8.370 nan 0.000 0.474 306 G N 1.276 110.150 108.800 0.122 0.000 2.213 306 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.226 306 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.226 306 G C 0.984 175.956 174.900 0.121 0.000 0.992 306 G CA 0.245 45.424 45.100 0.132 0.000 0.632 306 G HN 1.387 nan 8.290 nan 0.000 0.511 307 G N -1.366 107.509 108.800 0.126 0.000 2.157 307 G HA2 0.039 3.999 3.960 -0.000 0.000 0.239 307 G HA3 0.039 3.999 3.960 -0.000 0.000 0.239 307 G C 0.259 175.231 174.900 0.120 0.000 0.982 307 G CA 0.851 46.014 45.100 0.105 0.000 0.650 307 G HN 1.715 nan 8.290 nan 0.000 0.527 308 S N 0.422 116.230 115.700 0.180 0.000 2.681 308 S HA 0.675 5.145 4.470 -0.000 0.000 0.299 308 S C -0.735 174.057 174.600 0.319 0.000 1.113 308 S CA -0.725 57.594 58.200 0.198 0.000 1.013 308 S CB 1.670 64.941 63.200 0.120 0.000 1.076 308 S HN 0.297 nan 8.310 nan 0.000 0.534 309 D N 1.033 121.614 120.400 0.303 0.000 2.185 309 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 309 D C -1.063 175.543 176.300 0.509 0.000 1.027 309 D CA -0.322 53.880 54.000 0.336 0.000 0.861 309 D CB 1.085 42.018 40.800 0.223 0.000 1.202 309 D HN 0.466 nan 8.370 nan 0.000 0.453 310 W N 3.802 125.255 121.300 0.255 0.000 2.332 310 W HA 0.201 4.861 4.660 -0.000 0.000 0.306 310 W C -0.488 176.169 176.519 0.231 0.000 1.149 310 W CA -0.580 56.914 57.345 0.248 0.000 1.271 310 W CB 0.772 30.180 29.460 -0.085 0.000 1.243 310 W HN 0.235 nan 8.180 nan 0.000 0.459 311 T N 3.994 118.824 114.554 0.460 0.000 2.902 311 T HA 0.708 5.058 4.350 -0.000 0.000 0.283 311 T C -0.233 174.740 174.700 0.455 0.000 1.009 311 T CA -0.793 61.534 62.100 0.378 0.000 1.051 311 T CB 1.929 70.922 68.868 0.208 0.000 0.999 311 T HN 0.447 nan 8.240 nan 0.000 0.474 312 M N 3.024 122.846 119.600 0.370 0.000 2.253 312 M HA 0.432 4.912 4.480 -0.000 0.000 0.314 312 M C 0.216 176.668 176.300 0.253 0.000 1.019 312 M CA -0.732 54.767 55.300 0.331 0.000 0.932 312 M CB 2.490 35.293 32.600 0.338 0.000 1.606 312 M HN 1.045 nan 8.290 nan 0.000 0.430 313 T N -1.050 113.628 114.554 0.207 0.000 2.844 313 T HA 0.554 4.904 4.350 -0.000 0.000 0.274 313 T C 1.219 176.025 174.700 0.176 0.000 0.991 313 T CA -0.233 61.966 62.100 0.165 0.000 0.983 313 T CB 1.126 70.057 68.868 0.105 0.000 1.310 313 T HN 0.742 nan 8.240 nan 0.000 0.596 314 G N 0.528 109.427 108.800 0.164 0.000 2.469 314 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 314 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 314 G C 1.354 176.363 174.900 0.181 0.000 1.136 314 G CA 1.217 46.441 45.100 0.207 0.000 0.759 314 G HN 0.990 nan 8.290 nan 0.000 0.562 315 K N -0.004 120.466 120.400 0.116 0.000 2.362 315 K HA 0.016 4.336 4.320 -0.000 0.000 0.200 315 K C 1.570 178.237 176.600 0.112 0.000 1.046 315 K CA 1.299 57.639 56.287 0.090 0.000 0.952 315 K CB -0.110 32.421 32.500 0.051 0.000 0.753 315 K HN 0.234 nan 8.250 nan 0.000 0.466 316 N N 0.721 119.499 118.700 0.129 0.000 2.414 316 N HA -0.044 4.696 4.740 -0.000 0.000 0.177 316 N C 1.318 176.851 175.510 0.038 0.000 1.062 316 N CA 1.129 54.251 53.050 0.119 0.000 0.890 316 N CB 0.774 39.371 38.487 0.182 0.000 1.070 316 N HN 0.391 nan 8.380 nan 0.000 0.454 317 S N -0.783 114.947 115.700 0.050 0.000 2.523 317 S HA 0.317 4.787 4.470 -0.000 0.000 0.217 317 S C 0.512 175.076 174.600 -0.061 0.000 0.996 317 S CA -0.244 57.907 58.200 -0.082 0.000 0.921 317 S CB 0.392 63.666 63.200 0.124 0.000 0.829 317 S HN -0.081 nan 8.310 nan 0.000 0.495 318 M N 2.064 121.694 119.600 0.051 0.000 2.393 318 M HA 0.536 5.016 4.480 -0.000 0.000 0.299 318 M C -1.508 174.816 176.300 0.040 0.000 1.103 318 M CA -0.626 54.696 55.300 0.036 0.000 0.910 318 M CB 1.960 34.633 32.600 0.122 0.000 1.659 318 M HN -0.109 nan 8.290 nan 0.000 0.445 319 V N 2.419 122.276 119.914 -0.096 0.000 2.409 319 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 319 V C -0.331 175.708 176.094 -0.091 0.000 1.020 319 V CA -0.895 61.360 62.300 -0.076 0.000 0.848 319 V CB 1.838 33.582 31.823 -0.133 0.000 0.990 319 V HN 0.670 nan 8.190 nan 0.000 0.430 320 D N 3.341 123.766 120.400 0.042 0.000 2.358 320 D HA 0.130 4.770 4.640 -0.000 0.000 0.258 320 D C 0.938 177.246 176.300 0.015 0.000 1.223 320 D CA 0.220 54.251 54.000 0.052 0.000 0.886 320 D CB 2.077 42.942 40.800 0.108 0.000 1.120 320 D HN 0.495 nan 8.370 nan 0.000 0.482 321 V N 1.030 120.934 119.914 -0.017 0.000 3.085 321 V HA 0.194 4.314 4.120 -0.000 0.000 0.245 321 V C 0.557 176.671 176.094 0.033 0.000 1.114 321 V CA 0.580 62.889 62.300 0.015 0.000 1.108 321 V CB -0.275 31.547 31.823 -0.002 0.000 0.798 321 V HN 0.563 nan 8.190 nan 0.000 0.471 322 K N -0.203 120.210 120.400 0.022 0.000 2.642 322 K HA 0.404 4.724 4.320 -0.000 0.000 0.290 322 K C -1.147 175.469 176.600 0.027 0.000 1.006 322 K CA -0.909 55.393 56.287 0.026 0.000 0.869 322 K CB 1.327 33.841 32.500 0.024 0.000 1.499 322 K HN -0.004 nan 8.250 nan 0.000 0.403 323 Q N 0.518 120.334 119.800 0.027 0.000 2.320 323 Q HA 0.203 4.543 4.340 -0.000 0.000 0.311 323 Q C 0.956 176.972 176.000 0.027 0.000 1.083 323 Q CA 2.756 58.577 55.803 0.030 0.000 1.001 323 Q CB -0.287 28.466 28.738 0.025 0.000 1.074 323 Q HN 0.980 nan 8.270 nan 0.000 0.379 324 G N 2.651 111.472 108.800 0.035 0.000 2.195 324 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.246 324 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.246 324 G C 0.045 174.957 174.900 0.020 0.000 0.984 324 G CA 0.130 45.248 45.100 0.030 0.000 0.633 324 G HN 0.746 nan 8.290 nan 0.000 0.525 325 T N 0.553 115.114 114.554 0.011 0.000 2.879 325 T HA 0.757 5.107 4.350 -0.000 0.000 0.290 325 T C -0.193 174.482 174.700 -0.042 0.000 0.993 325 T CA 0.463 62.553 62.100 -0.017 0.000 0.975 325 T CB 1.820 70.673 68.868 -0.024 0.000 0.981 325 T HN 1.474 nan 8.240 nan 0.000 0.439 326 A N 1.801 124.570 122.820 -0.085 0.000 2.386 326 A HA 0.769 5.088 4.320 -0.000 0.000 0.311 326 A C -0.434 177.040 177.584 -0.184 0.000 1.068 326 A CA -0.614 51.332 52.037 -0.151 0.000 0.743 326 A CB 0.905 19.747 19.000 -0.264 0.000 1.258 326 A HN 0.932 nan 8.150 nan 0.000 0.429 327 c N 1.062 119.454 118.600 -0.346 0.000 2.435 327 c HA 0.606 5.176 4.570 -0.000 0.000 0.333 327 c C 0.432 174.302 174.090 -0.366 0.000 1.202 327 c CA -0.680 55.378 56.329 -0.451 0.000 1.830 327 c CB 1.184 43.085 42.510 -1.016 0.000 2.326 327 c HN 0.672 nan 8.230 nan 0.000 0.507 328 V N 2.920 122.752 119.914 -0.137 0.000 2.529 328 V HA 0.223 4.343 4.120 -0.000 0.000 0.292 328 V C 1.064 177.103 176.094 -0.092 0.000 1.028 328 V CA 0.426 62.672 62.300 -0.090 0.000 1.074 328 V CB 0.763 32.576 31.823 -0.016 0.000 0.958 328 V HN 1.082 nan 8.190 nan 0.000 0.481 329 A N 5.575 128.270 122.820 -0.208 0.000 2.416 329 A HA 0.406 4.726 4.320 -0.000 0.000 0.252 329 A C -0.023 177.382 177.584 -0.298 0.000 1.353 329 A CA 0.020 52.000 52.037 -0.096 0.000 0.996 329 A CB -0.704 18.219 19.000 -0.128 0.000 0.961 329 A HN 0.585 nan 8.150 nan 0.000 0.523 330 F N -0.602 119.397 119.950 0.081 0.000 2.427 330 F HA 0.507 5.034 4.527 -0.000 0.000 0.348 330 F C -0.141 175.787 175.800 0.214 0.000 1.125 330 F CA -0.865 57.202 58.000 0.111 0.000 0.989 330 F CB 1.879 40.864 39.000 -0.024 0.000 1.165 330 F HN -0.134 nan 8.300 nan 0.000 0.442 331 V N 2.537 122.648 119.914 0.328 0.000 2.604 331 V HA 0.300 4.420 4.120 -0.000 0.000 0.305 331 V C -0.147 175.959 176.094 0.020 0.000 1.043 331 V CA -1.139 61.218 62.300 0.095 0.000 0.888 331 V CB 1.918 33.601 31.823 -0.233 0.000 0.995 331 V HN 0.687 nan 8.190 nan 0.000 0.429 332 E N 3.810 123.782 120.200 -0.381 0.000 2.344 332 E HA 0.292 4.642 4.350 -0.000 0.000 0.270 332 E C -0.251 176.223 176.600 -0.210 0.000 1.021 332 E CA -0.453 55.626 56.400 -0.535 0.000 0.887 332 E CB 0.722 29.768 29.700 -1.091 0.000 0.997 332 E HN 0.579 nan 8.360 nan 0.000 0.429 333 M N 3.526 123.069 119.600 -0.095 0.000 2.249 333 M HA 0.042 4.522 4.480 -0.000 0.000 0.340 333 M C 0.148 176.406 176.300 -0.069 0.000 1.166 333 M CA 0.959 56.233 55.300 -0.043 0.000 1.115 333 M CB 0.492 33.089 32.600 -0.006 0.000 1.606 333 M HN 0.249 nan 8.290 nan 0.000 0.448 334 K N 0.836 121.207 120.400 -0.048 0.000 2.123 334 K HA 0.476 4.796 4.320 -0.000 0.000 0.259 334 K C 0.748 177.333 176.600 -0.025 0.000 0.960 334 K CA -0.092 56.167 56.287 -0.046 0.000 0.872 334 K CB 1.444 33.918 32.500 -0.043 0.000 1.079 334 K HN 0.929 nan 8.250 nan 0.000 0.440 335 G N 0.305 109.091 108.800 -0.024 0.000 2.179 335 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 335 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 335 G C -0.343 174.551 174.900 -0.010 0.000 1.010 335 G CA 0.098 45.190 45.100 -0.015 0.000 0.736 335 G HN 0.333 nan 8.290 nan 0.000 0.513 336 V N 0.033 119.941 119.914 -0.011 0.000 2.525 336 V HA 0.774 4.894 4.120 -0.000 0.000 0.299 336 V C 0.609 176.699 176.094 -0.006 0.000 1.034 336 V CA -0.705 61.592 62.300 -0.005 0.000 0.863 336 V CB 1.508 33.331 31.823 0.001 0.000 0.999 336 V HN 1.164 nan 8.190 nan 0.000 0.423 337 A N 3.722 126.540 122.820 -0.004 0.000 2.445 337 A HA 0.699 5.019 4.320 -0.000 0.000 0.242 337 A C 0.904 178.490 177.584 0.004 0.000 1.075 337 A CA 0.402 52.438 52.037 -0.002 0.000 0.777 337 A CB 0.331 19.330 19.000 -0.002 0.000 1.013 337 A HN 1.661 nan 8.150 nan 0.000 0.493 338 A N 1.300 124.124 122.820 0.007 0.000 2.566 338 A HA 0.448 4.768 4.320 -0.000 0.000 0.245 338 A C 1.645 179.236 177.584 0.011 0.000 1.056 338 A CA 0.912 52.958 52.037 0.015 0.000 0.757 338 A CB -0.947 18.064 19.000 0.019 0.000 0.979 338 A HN 2.788 nan 8.150 nan 0.000 0.508 339 G N 1.909 110.716 108.800 0.012 0.000 2.148 339 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 339 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 339 G C 0.053 174.954 174.900 0.003 0.000 0.981 339 G CA 0.472 45.577 45.100 0.007 0.000 0.670 339 G HN 1.137 nan 8.290 nan 0.000 0.528 340 D N 0.759 121.161 120.400 0.003 0.000 2.383 340 D HA 0.443 5.083 4.640 -0.000 0.000 0.245 340 D C 1.682 177.980 176.300 -0.004 0.000 1.263 340 D CA 0.439 54.438 54.000 -0.001 0.000 0.936 340 D CB 0.229 41.029 40.800 -0.001 0.000 1.053 340 D HN 0.224 nan 8.370 nan 0.000 0.507 341 G N 3.708 112.503 108.800 -0.009 0.000 2.586 341 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 341 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 341 G C 1.504 176.388 174.900 -0.026 0.000 1.128 341 G CA 0.132 45.223 45.100 -0.016 0.000 0.774 341 G HN 0.465 nan 8.290 nan 0.000 0.543 342 R N 0.106 120.592 120.500 -0.023 0.000 2.148 342 R HA 0.237 4.577 4.340 -0.000 0.000 0.223 342 R C 1.372 177.658 176.300 -0.024 0.000 1.088 342 R CA 0.555 56.637 56.100 -0.030 0.000 0.985 342 R CB 0.005 30.293 30.300 -0.021 0.000 0.880 342 R HN 0.315 nan 8.270 nan 0.000 0.451 343 A N 2.142 124.958 122.820 -0.006 0.000 2.293 343 A HA 0.448 4.768 4.320 -0.000 0.000 0.302 343 A C -2.317 175.280 177.584 0.022 0.000 1.119 343 A CA -1.852 50.194 52.037 0.015 0.000 0.823 343 A CB 0.301 19.312 19.000 0.019 0.000 1.097 343 A HN -0.100 nan 8.150 nan 0.000 0.491 344 P HA 0.232 nan 4.420 nan 0.000 0.269 344 P C 0.660 177.988 177.300 0.046 0.000 1.209 344 P CA 0.391 63.535 63.100 0.074 0.000 0.776 344 P CB 0.887 32.670 31.700 0.138 0.000 0.876 345 A N 2.535 125.375 122.820 0.034 0.000 1.930 345 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 345 A C 0.735 178.340 177.584 0.035 0.000 1.175 345 A CA 1.479 53.532 52.037 0.028 0.000 0.627 345 A CB -0.353 18.655 19.000 0.014 0.000 0.815 345 A HN 0.431 nan 8.150 nan 0.000 0.443 346 V N 0.180 120.110 119.914 0.027 0.000 2.686 346 V HA 0.414 4.534 4.120 -0.000 0.000 0.306 346 V C -1.018 175.075 176.094 -0.001 0.000 1.065 346 V CA -0.378 61.934 62.300 0.019 0.000 0.894 346 V CB 1.831 33.642 31.823 -0.019 0.000 1.004 346 V HN 0.307 nan 8.190 nan 0.000 0.424 347 I N 5.261 125.833 120.570 0.005 0.000 2.390 347 I HA 0.390 4.560 4.170 -0.000 0.000 0.283 347 I C -0.331 175.742 176.117 -0.072 0.000 1.016 347 I CA -0.377 60.899 61.300 -0.040 0.000 1.151 347 I CB 1.404 39.392 38.000 -0.020 0.000 1.293 347 I HN 0.365 nan 8.210 nan 0.000 0.458 348 L N 5.410 126.536 121.223 -0.161 0.000 2.426 348 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 348 L C 0.999 177.783 176.870 -0.143 0.000 1.169 348 L CA 0.095 54.809 54.840 -0.210 0.000 0.836 348 L CB 0.691 42.477 42.059 -0.455 0.000 1.112 348 L HN 0.681 nan 8.230 nan 0.000 0.465 349 G N 0.764 109.504 108.800 -0.101 0.000 3.075 349 G HA2 0.443 4.403 3.960 -0.000 0.000 0.253 349 G HA3 0.443 4.403 3.960 -0.000 0.000 0.253 349 G C 0.785 175.684 174.900 -0.002 0.000 1.353 349 G CA 0.014 45.072 45.100 -0.071 0.000 1.051 349 G HN 0.703 nan 8.290 nan 0.000 0.553 350 G N -0.211 108.631 108.800 0.070 0.000 2.421 350 G HA2 0.098 4.058 3.960 -0.000 0.000 0.216 350 G HA3 0.098 4.058 3.960 -0.000 0.000 0.216 350 G C 1.823 176.824 174.900 0.168 0.000 1.171 350 G CA 1.779 46.992 45.100 0.188 0.000 0.775 350 G HN 1.021 nan 8.290 nan 0.000 0.543 351 A N -0.236 122.682 122.820 0.163 0.000 2.209 351 A HA 0.136 4.455 4.320 -0.000 0.000 0.212 351 A C 2.216 179.877 177.584 0.127 0.000 1.158 351 A CA 1.545 53.673 52.037 0.153 0.000 0.742 351 A CB -0.097 18.986 19.000 0.139 0.000 0.790 351 A HN 0.383 nan 8.150 nan 0.000 0.472 352 Q N -1.231 118.627 119.800 0.096 0.000 2.402 352 Q HA 0.286 4.626 4.340 -0.000 0.000 0.206 352 Q C 1.690 177.751 176.000 0.101 0.000 0.919 352 Q CA 0.661 56.541 55.803 0.129 0.000 0.923 352 Q CB -0.026 28.750 28.738 0.062 0.000 1.048 352 Q HN 0.694 nan 8.270 nan 0.000 0.515 353 M N -0.085 119.554 119.600 0.065 0.000 2.510 353 M HA 0.096 4.576 4.480 -0.000 0.000 0.256 353 M C -0.134 176.210 176.300 0.073 0.000 1.132 353 M CA 0.235 55.544 55.300 0.016 0.000 1.105 353 M CB 0.473 33.101 32.600 0.046 0.000 1.375 353 M HN 0.072 nan 8.290 nan 0.000 0.477 354 E N 1.751 122.011 120.200 0.099 0.000 2.442 354 E HA -0.100 4.250 4.350 -0.000 0.000 0.262 354 E C -0.273 176.430 176.600 0.172 0.000 1.004 354 E CA 0.216 56.676 56.400 0.099 0.000 0.928 354 E CB 0.260 30.030 29.700 0.117 0.000 0.937 354 E HN 0.155 nan 8.360 nan 0.000 0.446 355 D N 0.728 121.156 120.400 0.047 0.000 2.911 355 D HA -0.211 4.429 4.640 -0.000 0.000 0.227 355 D C -0.994 175.245 176.300 -0.101 0.000 1.164 355 D CA 1.155 55.111 54.000 -0.073 0.000 0.782 355 D CB -1.215 39.510 40.800 -0.125 0.000 1.094 355 D HN 0.181 nan 8.370 nan 0.000 0.425 356 F N -0.409 119.428 119.950 -0.187 0.000 2.480 356 F HA 0.446 4.973 4.527 -0.000 0.000 0.329 356 F C 0.620 176.326 175.800 -0.158 0.000 1.091 356 F CA -1.020 56.847 58.000 -0.222 0.000 0.972 356 F CB 1.595 40.424 39.000 -0.286 0.000 1.150 356 F HN -0.336 nan 8.300 nan 0.000 0.467 357 V N 5.228 125.145 119.914 0.005 0.000 2.408 357 V HA 0.271 4.391 4.120 -0.000 0.000 0.267 357 V C -0.097 176.034 176.094 0.062 0.000 1.047 357 V CA -0.452 61.888 62.300 0.066 0.000 0.937 357 V CB 0.683 32.579 31.823 0.122 0.000 0.999 357 V HN 0.470 nan 8.190 nan 0.000 0.472 358 L N 4.451 125.725 121.223 0.085 0.000 2.305 358 L HA 0.532 4.872 4.340 -0.000 0.000 0.284 358 L C -0.540 176.317 176.870 -0.021 0.000 1.013 358 L CA -0.485 54.357 54.840 0.003 0.000 0.819 358 L CB 1.873 43.980 42.059 0.080 0.000 1.227 358 L HN 0.543 nan 8.230 nan 0.000 0.417 359 D N 3.331 123.649 120.400 -0.137 0.000 2.473 359 D HA 0.251 4.891 4.640 -0.000 0.000 0.226 359 D C -0.872 175.319 176.300 -0.182 0.000 1.089 359 D CA -0.304 53.652 54.000 -0.074 0.000 0.883 359 D CB 0.433 41.252 40.800 0.033 0.000 1.029 359 D HN 0.074 nan 8.370 nan 0.000 0.517 360 F N 2.607 122.291 119.950 -0.444 0.000 2.462 360 F HA 0.176 4.703 4.527 -0.000 0.000 0.354 360 F C 0.812 176.445 175.800 -0.278 0.000 1.192 360 F CA -0.555 57.117 58.000 -0.547 0.000 1.173 360 F CB 0.499 38.673 39.000 -1.377 0.000 1.402 360 F HN 0.201 nan 8.300 nan 0.000 0.595 361 D N 4.405 124.842 120.400 0.062 0.000 2.443 361 D HA 0.201 4.841 4.640 -0.000 0.000 0.221 361 D C 0.570 176.955 176.300 0.141 0.000 1.097 361 D CA -0.146 53.917 54.000 0.104 0.000 0.865 361 D CB 0.839 41.693 40.800 0.089 0.000 1.034 361 D HN 0.496 nan 8.370 nan 0.000 0.511 362 M N 1.840 121.550 119.600 0.184 0.000 2.561 362 M HA 0.081 4.561 4.480 -0.000 0.000 0.238 362 M C 1.420 177.806 176.300 0.142 0.000 1.131 362 M CA 0.353 55.773 55.300 0.198 0.000 1.046 362 M CB 0.586 33.342 32.600 0.260 0.000 1.532 362 M HN 0.318 nan 8.290 nan 0.000 0.497 363 E N 0.711 120.979 120.200 0.114 0.000 2.057 363 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 363 E C 1.461 178.097 176.600 0.060 0.000 0.969 363 E CA 0.773 57.223 56.400 0.083 0.000 0.812 363 E CB 0.147 29.891 29.700 0.072 0.000 0.777 363 E HN 0.406 nan 8.360 nan 0.000 0.455 364 K N 0.852 121.278 120.400 0.044 0.000 2.459 364 K HA 0.036 4.356 4.320 -0.000 0.000 0.193 364 K C -0.225 176.399 176.600 0.040 0.000 1.030 364 K CA 0.162 56.460 56.287 0.017 0.000 1.026 364 K CB 0.151 32.629 32.500 -0.037 0.000 0.809 364 K HN -0.001 nan 8.250 nan 0.000 0.504 365 K N 1.269 121.716 120.400 0.077 0.000 3.257 365 K HA -0.230 4.090 4.320 -0.000 0.000 0.270 365 K C -0.681 175.981 176.600 0.104 0.000 0.984 365 K CA 0.720 57.069 56.287 0.103 0.000 0.739 365 K CB -1.496 31.059 32.500 0.092 0.000 1.351 365 K HN 0.453 nan 8.250 nan 0.000 0.463 366 R N -0.695 119.873 120.500 0.113 0.000 2.707 366 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 366 R C -1.588 174.820 176.300 0.181 0.000 1.011 366 R CA -1.316 54.877 56.100 0.155 0.000 0.893 366 R CB 1.132 31.515 30.300 0.139 0.000 1.233 366 R HN 0.034 nan 8.270 nan 0.000 0.464 367 L N 1.304 122.633 121.223 0.178 0.000 2.305 367 L HA 0.660 5.000 4.340 -0.000 0.000 0.284 367 L C -0.401 176.529 176.870 0.100 0.000 1.013 367 L CA 0.022 54.864 54.840 0.004 0.000 0.819 367 L CB 1.909 43.855 42.059 -0.189 0.000 1.227 367 L HN 0.886 nan 8.230 nan 0.000 0.417 368 G N 4.416 113.101 108.800 -0.193 0.000 2.356 368 G HA2 0.516 4.476 3.960 -0.000 0.000 0.298 368 G HA3 0.516 4.476 3.960 -0.000 0.000 0.298 368 G C -1.220 173.526 174.900 -0.257 0.000 1.145 368 G CA -0.369 44.250 45.100 -0.802 0.000 0.850 368 G HN 0.647 nan 8.290 nan 0.000 0.487 369 F N 0.133 119.842 119.950 -0.402 0.000 2.716 369 F HA 0.652 5.179 4.527 -0.000 0.000 0.354 369 F C -0.396 175.265 175.800 -0.231 0.000 1.168 369 F CA -1.708 56.133 58.000 -0.264 0.000 1.045 369 F CB 1.235 40.068 39.000 -0.278 0.000 1.311 369 F HN 0.185 nan 8.300 nan 0.000 0.477 370 S N 3.809 119.381 115.700 -0.213 0.000 2.461 370 S HA 0.384 4.854 4.470 -0.000 0.000 0.322 370 S C -0.115 174.203 174.600 -0.470 0.000 1.063 370 S CA -0.710 57.302 58.200 -0.315 0.000 1.120 370 S CB 0.667 63.746 63.200 -0.202 0.000 0.968 370 S HN 0.730 nan 8.310 nan 0.000 0.467 371 R N 3.957 123.978 120.500 -0.798 0.000 2.449 371 R HA 0.197 4.537 4.340 -0.000 0.000 0.296 371 R C -0.411 175.465 176.300 -0.707 0.000 1.047 371 R CA -0.222 55.111 56.100 -1.277 0.000 1.018 371 R CB 0.143 29.647 30.300 -1.326 0.000 0.962 371 R HN 0.578 nan 8.270 nan 0.000 0.428 372 L N 7.186 128.006 121.223 -0.672 0.000 2.461 372 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 372 L C -1.462 175.030 176.870 -0.630 0.000 1.197 372 L CA -1.613 52.829 54.840 -0.663 0.000 0.836 372 L CB 0.376 42.002 42.059 -0.723 0.000 1.105 372 L HN 0.584 nan 8.230 nan 0.000 0.477 373 P HA -0.004 nan 4.420 nan 0.000 0.274 373 P C 0.300 177.163 177.300 -0.730 0.000 1.256 373 P CA -0.229 62.505 63.100 -0.610 0.000 0.795 373 P CB 0.320 31.641 31.700 -0.633 0.000 1.038 374 H N 0.934 119.757 119.070 -0.411 0.000 2.456 374 H HA -0.112 4.444 4.556 -0.000 0.000 0.296 374 H C 1.213 176.390 175.328 -0.251 0.000 1.079 374 H CA 1.440 57.332 56.048 -0.259 0.000 1.322 374 H CB -0.786 28.918 29.762 -0.096 0.000 1.388 374 H HN 0.401 nan 8.280 nan 0.000 0.538 375 F N 1.317 120.605 119.950 -1.103 0.000 2.811 375 F HA 0.348 4.874 4.527 -0.000 0.000 0.301 375 F C 0.823 176.382 175.800 -0.403 0.000 1.151 375 F CA 0.132 57.664 58.000 -0.780 0.000 1.412 375 F CB -0.313 38.285 39.000 -0.671 0.000 1.113 375 F HN 0.112 nan 8.300 nan 0.000 0.579 376 T N -0.950 113.128 114.554 -0.794 0.000 2.645 376 T HA 0.837 5.186 4.350 -0.000 0.000 0.273 376 T C -0.519 173.876 174.700 -0.509 0.000 0.960 376 T CA -0.064 61.693 62.100 -0.572 0.000 1.051 376 T CB 1.297 69.706 68.868 -0.767 0.000 1.366 376 T HN 0.506 nan 8.240 nan 0.000 0.536 377 G N -0.955 107.567 108.800 -0.463 0.000 2.328 377 G HA2 0.338 4.298 3.960 -0.000 0.000 0.295 377 G HA3 0.338 4.298 3.960 -0.000 0.000 0.295 377 G C 0.682 175.380 174.900 -0.337 0.000 1.413 377 G CA 0.065 44.944 45.100 -0.368 0.000 0.817 377 G HN 0.849 nan 8.290 nan 0.000 0.546 378 c N 0.144 118.585 118.600 -0.264 0.000 2.440 378 c HA 0.275 4.845 4.570 -0.000 0.000 0.278 378 c C 2.197 176.192 174.090 -0.158 0.000 1.295 378 c CA 0.939 57.124 56.329 -0.240 0.000 1.738 378 c CB -1.031 41.389 42.510 -0.149 0.000 1.987 378 c HN 1.047 nan 8.230 nan 0.000 0.492 379 G N -0.542 108.197 108.800 -0.102 0.000 2.254 379 G HA2 0.382 4.341 3.960 -0.000 0.000 0.253 379 G HA3 0.382 4.341 3.960 -0.000 0.000 0.253 379 G C 1.085 175.947 174.900 -0.064 0.000 1.246 379 G CA 0.597 45.664 45.100 -0.055 0.000 0.946 379 G HN 1.195 nan 8.290 nan 0.000 0.474 380 G N 1.151 109.933 108.800 -0.031 0.000 2.168 380 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.263 380 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.263 380 G C 0.521 175.404 174.900 -0.028 0.000 0.977 380 G CA 0.609 45.700 45.100 -0.016 0.000 0.659 380 G HN 0.940 nan 8.290 nan 0.000 0.533 381 L N 0.000 121.169 121.223 -0.090 0.000 2.949 381 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 381 L CA 0.000 54.741 54.840 -0.166 0.000 0.813 381 L CB 0.000 41.743 42.059 -0.527 0.000 0.961 381 L HN 0.000 nan 8.230 nan 0.000 0.502