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 1do2_1_B DATA FIRST_RESID 2 DATA SEQUENCE SEMTPREIVS ELDKHIIGQD NAKRSVAIAL RNRWRRMQLN EELRHEVTPK DATA SEQUENCE NILMIGPTGV GKTEIARRLA KLANAPFIKV EATKFTEVGY VGKEVDSIIR DATA SEQUENCE DLTDAAVKMV RVQAIEKNRY RAEELAEERI LDVLIPPAKN NWGQTEQQQE DATA SEQUENCE PSAARQAFRK KLREGQLDDK EIEXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXKQ KARKLKIKDA MKLLIEEEAA KLVNPEELKQ DAIDAVEQHG DATA SEQUENCE IVFIDEIDKI CKRGESSGPD VSREGVQRDL LPLVEGCTVS TKHGMVKTDH DATA SEQUENCE ILFIASGAFQ IAKPSDLIPE LQGRLPIRVE LQALTTSDFE RILTEPNASI DATA SEQUENCE TVQYKALMAT EGVNIEFTDS GIKRIAEAAW QVNESTENIG ARRLHTVLER DATA SEQUENCE LMEEISYDAS DLSGQNITID ADYVSKHLDA LVADEDLSRF IL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.455 174.600 -0.241 0.000 1.055 2 S CA 0.000 58.054 58.200 -0.243 0.000 1.107 2 S CB 0.000 63.111 63.200 -0.148 0.000 0.593 3 E N 2.082 122.073 120.200 -0.348 0.000 3.099 3 E HA 0.483 4.833 4.350 -0.000 0.000 0.259 3 E C 0.274 176.733 176.600 -0.235 0.000 1.274 3 E CA -0.716 55.548 56.400 -0.227 0.000 1.111 3 E CB 0.412 30.014 29.700 -0.163 0.000 1.327 3 E HN 0.576 nan 8.360 nan 0.000 0.652 4 M N 0.784 120.292 119.600 -0.152 0.000 2.274 4 M HA 0.162 4.642 4.480 -0.000 0.000 0.344 4 M C 0.714 176.937 176.300 -0.129 0.000 1.161 4 M CA -0.479 54.746 55.300 -0.125 0.000 1.126 4 M CB 0.624 33.179 32.600 -0.076 0.000 1.522 4 M HN 0.417 nan 8.290 nan 0.000 0.461 5 T N -0.417 114.067 114.554 -0.117 0.000 2.856 5 T HA 0.161 4.511 4.350 -0.000 0.000 0.306 5 T C -1.990 172.687 174.700 -0.038 0.000 1.062 5 T CA -1.275 60.773 62.100 -0.086 0.000 1.083 5 T CB 0.552 69.379 68.868 -0.067 0.000 0.984 5 T HN 0.402 nan 8.240 nan 0.000 0.542 6 P HA -0.157 nan 4.420 nan 0.000 0.217 6 P C 1.671 178.968 177.300 -0.005 0.000 1.162 6 P CA 1.391 64.496 63.100 0.010 0.000 0.901 6 P CB 0.001 31.717 31.700 0.028 0.000 0.793 7 R N -0.297 120.197 120.500 -0.009 0.000 2.075 7 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 7 R C 2.318 178.604 176.300 -0.023 0.000 1.126 7 R CA 1.521 57.612 56.100 -0.014 0.000 0.963 7 R CB -0.503 29.789 30.300 -0.013 0.000 0.858 7 R HN 0.122 nan 8.270 nan 0.000 0.435 8 E N 0.215 120.396 120.200 -0.031 0.000 2.070 8 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 8 E C 1.825 178.404 176.600 -0.035 0.000 1.004 8 E CA 2.046 58.422 56.400 -0.039 0.000 0.805 8 E CB -0.103 29.564 29.700 -0.055 0.000 0.744 8 E HN 0.358 nan 8.360 nan 0.000 0.451 9 I N -0.173 120.379 120.570 -0.031 0.000 2.099 9 I HA -0.310 3.860 4.170 -0.000 0.000 0.239 9 I C 2.335 178.438 176.117 -0.023 0.000 1.066 9 I CA 0.877 62.161 61.300 -0.026 0.000 1.324 9 I CB -0.603 37.386 38.000 -0.019 0.000 1.037 9 I HN 0.029 nan 8.210 nan 0.000 0.401 10 V N 1.321 121.223 119.914 -0.020 0.000 2.250 10 V HA -0.371 3.748 4.120 -0.000 0.000 0.253 10 V C 2.655 178.734 176.094 -0.025 0.000 1.065 10 V CA 2.592 64.880 62.300 -0.020 0.000 1.039 10 V CB -1.045 30.768 31.823 -0.016 0.000 0.647 10 V HN 0.545 nan 8.190 nan 0.000 0.446 11 S N -0.211 115.472 115.700 -0.028 0.000 2.368 11 S HA -0.345 4.125 4.470 -0.000 0.000 0.226 11 S C 1.906 176.481 174.600 -0.041 0.000 1.044 11 S CA 1.820 59.999 58.200 -0.035 0.000 1.062 11 S CB -0.563 62.616 63.200 -0.035 0.000 0.931 11 S HN 0.627 nan 8.310 nan 0.000 0.440 12 E N 0.952 121.134 120.200 -0.030 0.000 2.118 12 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 12 E C 1.770 178.371 176.600 0.002 0.000 0.992 12 E CA 0.743 57.134 56.400 -0.016 0.000 0.804 12 E CB -0.395 29.303 29.700 -0.003 0.000 0.741 12 E HN 0.361 nan 8.360 nan 0.000 0.458 13 L N 0.839 122.059 121.223 -0.005 0.000 2.072 13 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 13 L C 1.796 178.658 176.870 -0.014 0.000 1.079 13 L CA 1.623 56.467 54.840 0.007 0.000 0.752 13 L CB -0.623 41.427 42.059 -0.015 0.000 0.906 13 L HN 0.135 nan 8.230 nan 0.000 0.436 14 D N -0.178 120.199 120.400 -0.038 0.000 2.239 14 D HA -0.224 4.416 4.640 -0.000 0.000 0.202 14 D C 1.941 178.184 176.300 -0.095 0.000 0.993 14 D CA 0.995 54.963 54.000 -0.053 0.000 0.874 14 D CB 0.147 40.917 40.800 -0.050 0.000 0.922 14 D HN 0.421 nan 8.370 nan 0.000 0.464 15 K N 0.171 120.475 120.400 -0.159 0.000 1.965 15 K HA -0.114 4.206 4.320 -0.000 0.000 0.218 15 K C 0.953 177.321 176.600 -0.387 0.000 1.048 15 K CA 1.015 57.087 56.287 -0.359 0.000 0.960 15 K CB -0.306 31.821 32.500 -0.622 0.000 0.732 15 K HN 0.409 nan 8.250 nan 0.000 0.444 16 H N 0.158 119.212 119.070 -0.027 0.000 2.556 16 H HA 0.413 4.969 4.556 -0.000 0.000 0.240 16 H C -0.204 175.105 175.328 -0.031 0.000 1.543 16 H CA -0.263 55.770 56.048 -0.025 0.000 1.287 16 H CB 0.080 29.828 29.762 -0.025 0.000 1.529 16 H HN 0.150 nan 8.280 nan 0.000 0.553 17 I N 1.042 121.636 120.570 0.040 0.000 3.079 17 I HA 0.123 4.293 4.170 -0.000 0.000 0.327 17 I C -1.260 174.849 176.117 -0.013 0.000 1.558 17 I CA -0.669 60.639 61.300 0.013 0.000 0.948 17 I CB 1.261 39.263 38.000 0.004 0.000 1.213 17 I HN 0.219 nan 8.210 nan 0.000 0.460 18 I N -1.490 119.066 120.570 -0.023 0.000 3.105 18 I HA 0.541 4.711 4.170 -0.000 0.000 0.190 18 I C 0.876 176.975 176.117 -0.031 0.000 0.480 18 I CA 0.245 61.525 61.300 -0.033 0.000 2.891 18 I CB -0.216 37.755 38.000 -0.049 0.000 1.358 18 I HN 0.622 nan 8.210 nan 0.000 0.486 19 G N -0.312 108.467 108.800 -0.034 0.000 2.820 19 G HA2 0.150 4.110 3.960 -0.000 0.000 0.158 19 G HA3 0.150 4.110 3.960 -0.000 0.000 0.158 19 G C 0.003 174.892 174.900 -0.018 0.000 1.715 19 G CA 0.987 46.073 45.100 -0.024 0.000 1.057 19 G HN 0.624 nan 8.290 nan 0.000 0.525 20 Q N -0.703 119.090 119.800 -0.011 0.000 2.468 20 Q HA -0.207 4.133 4.340 -0.000 0.000 0.256 20 Q C 0.952 176.950 176.000 -0.003 0.000 0.984 20 Q CA 1.283 57.084 55.803 -0.003 0.000 1.110 20 Q CB -1.865 26.870 28.738 -0.005 0.000 1.527 20 Q HN 0.840 nan 8.270 nan 0.000 0.535 21 D N 0.447 120.844 120.400 -0.005 0.000 2.269 21 D HA -0.265 4.375 4.640 -0.000 0.000 0.191 21 D C 1.455 177.755 176.300 -0.000 0.000 1.007 21 D CA 2.581 56.578 54.000 -0.005 0.000 0.855 21 D CB -0.128 40.669 40.800 -0.004 0.000 0.979 21 D HN 0.647 nan 8.370 nan 0.000 0.452 22 N N 0.721 119.423 118.700 0.004 0.000 2.049 22 N HA -0.338 4.402 4.740 -0.000 0.000 0.198 22 N C 2.031 177.548 175.510 0.011 0.000 1.030 22 N CA 1.682 54.737 53.050 0.009 0.000 0.870 22 N CB -0.675 37.819 38.487 0.011 0.000 1.045 22 N HN 0.359 nan 8.380 nan 0.000 0.434 23 A N 2.586 125.414 122.820 0.013 0.000 1.869 23 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 23 A C 2.247 179.835 177.584 0.005 0.000 1.203 23 A CA 2.240 54.287 52.037 0.017 0.000 0.638 23 A CB -0.662 18.349 19.000 0.018 0.000 0.831 23 A HN 0.399 nan 8.150 nan 0.000 0.450 24 K N -0.794 119.603 120.400 -0.005 0.000 2.044 24 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 24 K C 2.284 178.880 176.600 -0.006 0.000 1.049 24 K CA 1.648 57.927 56.287 -0.014 0.000 0.927 24 K CB -0.306 32.184 32.500 -0.016 0.000 0.713 24 K HN 0.403 nan 8.250 nan 0.000 0.443 25 R N 1.303 121.803 120.500 0.000 0.000 2.113 25 R HA -0.175 4.165 4.340 -0.000 0.000 0.231 25 R C 2.824 179.131 176.300 0.012 0.000 1.129 25 R CA 2.561 58.664 56.100 0.005 0.000 0.915 25 R CB -0.504 29.801 30.300 0.007 0.000 0.837 25 R HN 0.368 nan 8.270 nan 0.000 0.430 26 S N 0.475 116.185 115.700 0.017 0.000 2.369 26 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 26 S C 2.228 176.844 174.600 0.027 0.000 1.043 26 S CA 1.987 60.202 58.200 0.025 0.000 1.074 26 S CB -1.510 61.709 63.200 0.031 0.000 0.962 26 S HN 0.387 nan 8.310 nan 0.000 0.433 27 V N 1.485 121.410 119.914 0.019 0.000 2.324 27 V HA -0.124 3.996 4.120 -0.000 0.000 0.250 27 V C 2.634 178.733 176.094 0.008 0.000 1.060 27 V CA 1.712 64.019 62.300 0.010 0.000 1.042 27 V CB -1.868 29.943 31.823 -0.020 0.000 0.650 27 V HN 0.584 nan 8.190 nan 0.000 0.450 28 A N 1.232 124.054 122.820 0.004 0.000 1.841 28 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 28 A C 2.185 179.785 177.584 0.027 0.000 1.199 28 A CA 2.586 54.627 52.037 0.007 0.000 0.621 28 A CB -0.918 18.083 19.000 0.003 0.000 0.835 28 A HN 0.595 nan 8.150 nan 0.000 0.445 29 I N -0.145 120.444 120.570 0.032 0.000 2.094 29 I HA -0.443 3.727 4.170 -0.000 0.000 0.236 29 I C 2.972 179.123 176.117 0.058 0.000 1.016 29 I CA 1.884 63.213 61.300 0.048 0.000 1.294 29 I CB -0.683 37.342 38.000 0.041 0.000 1.006 29 I HN 0.428 nan 8.210 nan 0.000 0.397 30 A N 0.622 123.473 122.820 0.051 0.000 1.909 30 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 30 A C 2.364 179.986 177.584 0.064 0.000 1.223 30 A CA 2.485 54.556 52.037 0.058 0.000 0.658 30 A CB -1.204 17.831 19.000 0.058 0.000 0.831 30 A HN 0.578 nan 8.150 nan 0.000 0.462 31 L N -1.066 120.189 121.223 0.055 0.000 2.012 31 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 31 L C 2.538 179.468 176.870 0.099 0.000 1.073 31 L CA 2.921 57.798 54.840 0.061 0.000 0.748 31 L CB -0.914 41.165 42.059 0.033 0.000 0.891 31 L HN 0.499 nan 8.230 nan 0.000 0.431 32 R N 0.863 121.428 120.500 0.109 0.000 2.097 32 R HA -0.225 4.115 4.340 -0.000 0.000 0.236 32 R C 1.964 178.414 176.300 0.250 0.000 1.135 32 R CA 2.502 58.716 56.100 0.190 0.000 0.934 32 R CB -0.833 29.569 30.300 0.169 0.000 0.846 32 R HN 0.480 nan 8.270 nan 0.000 0.431 33 N N 0.110 118.898 118.700 0.147 0.000 2.096 33 N HA -0.225 4.515 4.740 -0.000 0.000 0.195 33 N C 1.626 177.170 175.510 0.058 0.000 1.017 33 N CA 1.909 55.005 53.050 0.077 0.000 0.870 33 N CB -0.181 38.333 38.487 0.045 0.000 1.024 33 N HN 0.173 nan 8.380 nan 0.000 0.434 34 R N -0.383 120.168 120.500 0.086 0.000 2.140 34 R HA -0.230 4.110 4.340 -0.000 0.000 0.250 34 R C 2.005 178.356 176.300 0.085 0.000 1.150 34 R CA 1.820 57.957 56.100 0.062 0.000 0.966 34 R CB -0.851 29.498 30.300 0.082 0.000 0.869 34 R HN 0.534 nan 8.270 nan 0.000 0.445 35 W N 1.934 123.225 121.300 -0.015 0.000 2.381 35 W HA -0.166 4.494 4.660 -0.000 0.000 0.321 35 W C 2.186 178.690 176.519 -0.025 0.000 1.196 35 W CA 1.347 58.682 57.345 -0.016 0.000 1.304 35 W CB -0.499 28.956 29.460 -0.007 0.000 1.166 35 W HN -0.089 nan 8.180 nan 0.000 0.473 36 R N 0.314 120.434 120.500 -0.634 0.000 2.112 36 R HA -0.241 4.099 4.340 -0.000 0.000 0.242 36 R C 2.431 178.433 176.300 -0.498 0.000 1.137 36 R CA 1.961 57.510 56.100 -0.918 0.000 0.944 36 R CB -1.116 28.870 30.300 -0.524 0.000 0.857 36 R HN 0.270 nan 8.270 nan 0.000 0.435 37 R N 0.851 121.190 120.500 -0.268 0.000 2.196 37 R HA -0.162 4.178 4.340 -0.000 0.000 0.227 37 R C 1.234 177.403 176.300 -0.219 0.000 1.108 37 R CA 1.766 57.752 56.100 -0.189 0.000 0.884 37 R CB -0.411 29.818 30.300 -0.118 0.000 0.839 37 R HN 0.089 nan 8.270 nan 0.000 0.431 38 M N 1.860 121.342 119.600 -0.197 0.000 3.268 38 M HA -0.048 4.432 4.480 -0.000 0.000 0.249 38 M C -0.256 175.931 176.300 -0.189 0.000 1.527 38 M CA 1.092 56.279 55.300 -0.188 0.000 1.645 38 M CB 0.231 32.752 32.600 -0.132 0.000 1.193 38 M HN 0.167 nan 8.290 nan 0.000 0.534 39 Q N 1.955 121.617 119.800 -0.231 0.000 1.748 39 Q HA 0.176 4.516 4.340 -0.000 0.000 0.172 39 Q C -1.005 174.874 176.000 -0.202 0.000 0.810 39 Q CA 0.158 55.824 55.803 -0.229 0.000 0.831 39 Q CB 0.367 28.851 28.738 -0.424 0.000 1.249 39 Q HN 0.676 nan 8.270 nan 0.000 0.375 40 L N 0.068 121.184 121.223 -0.178 0.000 2.876 40 L HA 0.526 4.866 4.340 -0.000 0.000 0.227 40 L C 0.404 177.206 176.870 -0.113 0.000 2.036 40 L CA -0.968 53.787 54.840 -0.141 0.000 2.532 40 L CB -0.063 41.912 42.059 -0.140 0.000 2.567 40 L HN 0.045 nan 8.230 nan 0.000 0.601 41 N N -0.526 118.116 118.700 -0.097 0.000 2.370 41 N HA 0.147 4.887 4.740 -0.000 0.000 0.303 41 N C 0.114 175.574 175.510 -0.083 0.000 1.103 41 N CA -0.531 52.472 53.050 -0.077 0.000 0.848 41 N CB 2.456 40.911 38.487 -0.054 0.000 1.235 41 N HN 0.520 nan 8.380 nan 0.000 0.496 42 E N 0.609 120.765 120.200 -0.072 0.000 2.113 42 E HA -0.379 3.971 4.350 -0.000 0.000 0.210 42 E C 1.171 177.751 176.600 -0.032 0.000 1.040 42 E CA 2.404 58.766 56.400 -0.062 0.000 0.847 42 E CB 0.033 29.718 29.700 -0.024 0.000 0.755 42 E HN 0.809 nan 8.360 nan 0.000 0.459 43 E N 0.325 120.514 120.200 -0.020 0.000 2.037 43 E HA -0.249 4.101 4.350 -0.000 0.000 0.214 43 E C 2.094 178.694 176.600 0.001 0.000 1.041 43 E CA 2.527 58.925 56.400 -0.004 0.000 0.872 43 E CB -0.341 29.353 29.700 -0.010 0.000 0.785 43 E HN 0.334 nan 8.360 nan 0.000 0.476 44 L N -0.835 120.376 121.223 -0.021 0.000 2.270 44 L HA 0.179 4.519 4.340 -0.000 0.000 0.210 44 L C 2.764 179.613 176.870 -0.034 0.000 1.104 44 L CA 0.682 55.512 54.840 -0.018 0.000 0.804 44 L CB -0.583 41.455 42.059 -0.035 0.000 0.937 44 L HN 0.035 nan 8.230 nan 0.000 0.450 45 R N 0.422 120.867 120.500 -0.093 0.000 2.189 45 R HA -0.231 4.109 4.340 -0.000 0.000 0.252 45 R C 0.591 176.781 176.300 -0.183 0.000 1.134 45 R CA 2.180 58.160 56.100 -0.201 0.000 0.954 45 R CB -0.361 29.761 30.300 -0.297 0.000 0.890 45 R HN 0.526 nan 8.270 nan 0.000 0.443 46 H N -1.422 117.657 119.070 0.015 0.000 2.412 46 H HA 0.199 4.755 4.556 -0.000 0.000 0.239 46 H C -0.110 175.282 175.328 0.107 0.000 1.388 46 H CA -0.296 55.813 56.048 0.103 0.000 1.148 46 H CB 0.742 30.582 29.762 0.129 0.000 1.637 46 H HN 0.147 nan 8.280 nan 0.000 0.542 47 E N 1.052 121.355 120.200 0.172 0.000 2.744 47 E HA 0.072 4.422 4.350 -0.000 0.000 0.210 47 E C -0.844 175.802 176.600 0.077 0.000 0.950 47 E CA 0.193 56.656 56.400 0.104 0.000 1.282 47 E CB 1.353 31.087 29.700 0.057 0.000 1.123 47 E HN 0.200 nan 8.360 nan 0.000 0.544 48 V N 1.614 121.582 119.914 0.089 0.000 2.347 48 V HA 0.319 4.439 4.120 -0.000 0.000 0.280 48 V C 0.457 176.610 176.094 0.097 0.000 1.021 48 V CA -0.821 61.513 62.300 0.058 0.000 0.847 48 V CB 0.896 32.727 31.823 0.013 0.000 0.990 48 V HN 0.066 nan 8.190 nan 0.000 0.444 49 T N 5.857 120.458 114.554 0.079 0.000 2.769 49 T HA 0.268 4.618 4.350 -0.000 0.000 0.293 49 T C -2.205 172.551 174.700 0.093 0.000 0.931 49 T CA -1.195 60.960 62.100 0.092 0.000 1.139 49 T CB 0.409 69.309 68.868 0.053 0.000 0.881 49 T HN 0.588 nan 8.240 nan 0.000 0.532 50 P HA 0.053 nan 4.420 nan 0.000 0.257 50 P C -0.283 177.082 177.300 0.109 0.000 1.189 50 P CA -0.078 63.091 63.100 0.115 0.000 0.780 50 P CB 0.128 31.916 31.700 0.148 0.000 0.772 51 K N 3.222 123.671 120.400 0.082 0.000 2.453 51 K HA 0.084 4.404 4.320 -0.000 0.000 0.280 51 K C 0.226 176.886 176.600 0.100 0.000 1.045 51 K CA 0.409 56.740 56.287 0.074 0.000 1.059 51 K CB -0.103 32.430 32.500 0.054 0.000 0.901 51 K HN 0.354 nan 8.250 nan 0.000 0.475 52 N N 3.011 121.775 118.700 0.106 0.000 2.438 52 N HA 0.313 5.053 4.740 -0.000 0.000 0.282 52 N C 0.119 175.700 175.510 0.118 0.000 1.037 52 N CA -0.472 52.665 53.050 0.145 0.000 0.942 52 N CB 1.108 39.698 38.487 0.172 0.000 1.136 52 N HN 0.385 nan 8.380 nan 0.000 0.481 53 I N 1.805 122.459 120.570 0.140 0.000 2.472 53 I HA 0.131 4.301 4.170 -0.000 0.000 0.290 53 I C 0.050 176.254 176.117 0.144 0.000 1.016 53 I CA -0.713 60.662 61.300 0.125 0.000 1.348 53 I CB 0.975 39.052 38.000 0.129 0.000 1.417 53 I HN 0.210 nan 8.210 nan 0.000 0.521 54 L N 7.902 129.191 121.223 0.109 0.000 2.356 54 L HA 0.435 4.775 4.340 -0.000 0.000 0.264 54 L C -0.414 176.531 176.870 0.124 0.000 1.029 54 L CA -0.333 54.576 54.840 0.114 0.000 0.897 54 L CB 0.675 42.770 42.059 0.059 0.000 1.256 54 L HN 0.477 nan 8.230 nan 0.000 0.444 55 M N 5.553 125.265 119.600 0.187 0.000 2.268 55 M HA 0.230 4.710 4.480 -0.000 0.000 0.349 55 M C -0.438 175.980 176.300 0.197 0.000 1.485 55 M CA 0.666 56.081 55.300 0.192 0.000 1.094 55 M CB 0.417 33.187 32.600 0.283 0.000 1.843 55 M HN 0.509 nan 8.290 nan 0.000 0.460 56 I N 3.379 124.037 120.570 0.147 0.000 2.503 56 I HA 0.512 4.682 4.170 -0.000 0.000 0.277 56 I C 0.367 176.571 176.117 0.146 0.000 1.078 56 I CA -0.322 61.084 61.300 0.176 0.000 1.184 56 I CB 0.917 38.944 38.000 0.045 0.000 1.353 56 I HN 0.805 nan 8.210 nan 0.000 0.490 57 G N 5.929 114.824 108.800 0.158 0.000 2.660 57 G HA2 0.663 4.623 3.960 -0.000 0.000 0.290 57 G HA3 0.663 4.623 3.960 -0.000 0.000 0.290 57 G C -3.384 171.570 174.900 0.091 0.000 1.432 57 G CA -1.094 44.071 45.100 0.107 0.000 0.807 57 G HN 0.084 nan 8.290 nan 0.000 0.485 58 P HA 0.306 nan 4.420 nan 0.000 0.284 58 P C 0.371 177.691 177.300 0.034 0.000 1.258 58 P CA 0.331 63.452 63.100 0.035 0.000 0.824 58 P CB 1.152 32.859 31.700 0.012 0.000 1.038 59 T N -1.602 112.968 114.554 0.027 0.000 3.639 59 T HA -0.234 4.116 4.350 -0.000 0.000 0.386 59 T C 0.966 175.700 174.700 0.056 0.000 0.764 59 T CA 0.655 62.774 62.100 0.032 0.000 1.954 59 T CB -2.749 66.129 68.868 0.016 0.000 1.755 59 T HN 1.057 nan 8.240 nan 0.000 0.715 60 G N -0.574 108.279 108.800 0.088 0.000 2.453 60 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.313 60 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.313 60 G C 0.511 175.464 174.900 0.089 0.000 0.948 60 G CA 0.285 45.462 45.100 0.128 0.000 0.846 60 G HN 1.807 nan 8.290 nan 0.000 0.512 61 V N 0.280 120.230 119.914 0.059 0.000 2.070 61 V HA 0.463 4.583 4.120 -0.000 0.000 0.239 61 V C 1.636 177.739 176.094 0.015 0.000 1.472 61 V CA 1.676 63.992 62.300 0.026 0.000 1.453 61 V CB -0.502 31.321 31.823 -0.000 0.000 1.503 61 V HN 1.740 nan 8.190 nan 0.000 0.501 62 G N 4.395 113.207 108.800 0.020 0.000 2.604 62 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.205 62 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.205 62 G C 1.131 176.020 174.900 -0.018 0.000 1.186 62 G CA 0.273 45.371 45.100 -0.003 0.000 0.753 62 G HN 0.689 nan 8.290 nan 0.000 0.526 63 K N 0.484 120.897 120.400 0.022 0.000 2.049 63 K HA -0.258 4.062 4.320 -0.000 0.000 0.219 63 K C 2.198 178.701 176.600 -0.161 0.000 1.056 63 K CA 2.808 59.110 56.287 0.025 0.000 0.946 63 K CB -1.689 30.942 32.500 0.219 0.000 0.723 63 K HN 0.585 nan 8.250 nan 0.000 0.453 64 T N 1.180 115.722 114.554 -0.021 0.000 2.607 64 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 64 T C 1.903 176.483 174.700 -0.199 0.000 1.049 64 T CA 1.585 63.635 62.100 -0.083 0.000 1.162 64 T CB -0.375 68.578 68.868 0.143 0.000 0.863 64 T HN 0.278 nan 8.240 nan 0.000 0.424 65 E N 0.978 121.121 120.200 -0.095 0.000 2.023 65 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 65 E C 2.324 178.814 176.600 -0.184 0.000 1.003 65 E CA 1.060 57.398 56.400 -0.102 0.000 0.809 65 E CB -0.576 29.097 29.700 -0.045 0.000 0.755 65 E HN 0.522 nan 8.360 nan 0.000 0.449 66 I N 0.914 121.383 120.570 -0.167 0.000 2.103 66 I HA -0.418 3.752 4.170 -0.000 0.000 0.241 66 I C 2.517 178.459 176.117 -0.293 0.000 1.036 66 I CA 1.788 62.981 61.300 -0.178 0.000 1.300 66 I CB -0.532 37.386 38.000 -0.137 0.000 1.010 66 I HN 0.106 nan 8.210 nan 0.000 0.406 67 A N 0.354 122.903 122.820 -0.451 0.000 1.873 67 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 67 A C 2.329 179.382 177.584 -0.885 0.000 1.193 67 A CA 2.101 53.740 52.037 -0.662 0.000 0.629 67 A CB -0.744 17.688 19.000 -0.947 0.000 0.826 67 A HN 0.343 nan 8.150 nan 0.000 0.447 68 R N -1.285 118.766 120.500 -0.749 0.000 2.148 68 R HA -0.220 4.119 4.340 -0.000 0.000 0.230 68 R C 2.497 178.550 176.300 -0.412 0.000 1.120 68 R CA 2.085 57.835 56.100 -0.584 0.000 0.902 68 R CB -0.418 29.788 30.300 -0.156 0.000 0.839 68 R HN 0.488 nan 8.270 nan 0.000 0.431 69 R N 1.187 121.531 120.500 -0.260 0.000 2.136 69 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 69 R C 2.130 178.319 176.300 -0.184 0.000 1.131 69 R CA 2.082 58.073 56.100 -0.183 0.000 0.937 69 R CB -1.158 29.073 30.300 -0.115 0.000 0.863 69 R HN 0.363 nan 8.270 nan 0.000 0.435 70 L N -0.341 120.758 121.223 -0.206 0.000 1.965 70 L HA -0.293 4.047 4.340 -0.000 0.000 0.226 70 L C 2.226 178.992 176.870 -0.174 0.000 1.083 70 L CA 2.681 57.419 54.840 -0.170 0.000 0.790 70 L CB -0.906 41.042 42.059 -0.185 0.000 0.898 70 L HN 0.405 nan 8.230 nan 0.000 0.439 71 A N -0.784 121.874 122.820 -0.269 0.000 1.958 71 A HA -0.326 3.994 4.320 -0.000 0.000 0.221 71 A C 2.207 179.719 177.584 -0.120 0.000 1.178 71 A CA 2.344 54.261 52.037 -0.199 0.000 0.642 71 A CB -0.665 18.146 19.000 -0.315 0.000 0.816 71 A HN 0.542 nan 8.150 nan 0.000 0.453 72 K N 0.130 120.444 120.400 -0.143 0.000 1.965 72 K HA -0.118 4.202 4.320 -0.000 0.000 0.214 72 K C 1.912 178.472 176.600 -0.067 0.000 1.046 72 K CA 1.896 58.131 56.287 -0.087 0.000 0.944 72 K CB -0.798 31.641 32.500 -0.102 0.000 0.726 72 K HN 0.529 nan 8.250 nan 0.000 0.441 73 L N -1.173 120.008 121.223 -0.070 0.000 2.127 73 L HA 0.019 4.359 4.340 -0.000 0.000 0.211 73 L C 2.098 178.944 176.870 -0.039 0.000 1.089 73 L CA 2.096 56.909 54.840 -0.045 0.000 0.757 73 L CB -1.037 41.003 42.059 -0.032 0.000 0.899 73 L HN 0.095 nan 8.230 nan 0.000 0.434 74 A N -0.094 122.699 122.820 -0.045 0.000 2.209 74 A HA -0.086 4.234 4.320 -0.000 0.000 0.212 74 A C 0.916 178.489 177.584 -0.019 0.000 1.158 74 A CA 0.491 52.513 52.037 -0.025 0.000 0.742 74 A CB -0.891 18.096 19.000 -0.022 0.000 0.790 74 A HN 0.742 nan 8.150 nan 0.000 0.472 75 N N -1.167 117.514 118.700 -0.032 0.000 2.501 75 N HA -0.091 4.649 4.740 -0.000 0.000 0.291 75 N C -0.453 175.039 175.510 -0.030 0.000 1.304 75 N CA 0.441 53.471 53.050 -0.034 0.000 0.686 75 N CB -0.952 37.509 38.487 -0.043 0.000 0.924 75 N HN 1.140 nan 8.380 nan 0.000 0.533 76 A N 3.555 126.370 122.820 -0.009 0.000 2.597 76 A HA 0.577 4.897 4.320 -0.000 0.000 0.292 76 A C -2.889 174.729 177.584 0.057 0.000 1.057 76 A CA -0.884 51.164 52.037 0.019 0.000 0.674 76 A CB 1.442 20.480 19.000 0.063 0.000 1.278 76 A HN 0.261 nan 8.150 nan 0.000 0.416 77 P HA 0.330 nan 4.420 nan 0.000 0.269 77 P C -0.939 176.457 177.300 0.161 0.000 1.252 77 P CA 0.514 63.664 63.100 0.084 0.000 0.780 77 P CB -0.112 31.617 31.700 0.049 0.000 0.829 78 F N 5.361 125.302 119.950 -0.014 0.000 2.457 78 F HA 0.726 5.253 4.527 -0.000 0.000 0.330 78 F C -0.221 175.583 175.800 0.007 0.000 1.069 78 F CA -1.842 56.152 58.000 -0.010 0.000 1.009 78 F CB 1.218 40.208 39.000 -0.016 0.000 1.276 78 F HN 0.260 nan 8.300 nan 0.000 0.492 79 I N 3.604 123.523 120.570 -1.086 0.000 2.750 79 I HA 0.196 4.365 4.170 -0.000 0.000 0.283 79 I C -1.927 173.693 176.117 -0.828 0.000 1.464 79 I CA -0.666 60.194 61.300 -0.734 0.000 1.093 79 I CB 1.184 39.012 38.000 -0.287 0.000 1.417 79 I HN 0.694 nan 8.210 nan 0.000 0.424 80 K N 7.236 127.296 120.400 -0.566 0.000 2.258 80 K HA 0.680 5.000 4.320 -0.000 0.000 0.284 80 K C -1.960 174.599 176.600 -0.067 0.000 1.051 80 K CA -0.279 55.889 56.287 -0.198 0.000 0.923 80 K CB 1.538 34.024 32.500 -0.022 0.000 1.046 80 K HN 0.414 nan 8.250 nan 0.000 0.474 81 V N 3.903 123.822 119.914 0.007 0.000 2.623 81 V HA 0.181 4.301 4.120 -0.000 0.000 0.304 81 V C -1.020 175.130 176.094 0.092 0.000 1.054 81 V CA -0.864 61.483 62.300 0.078 0.000 0.882 81 V CB 1.677 33.586 31.823 0.144 0.000 1.002 81 V HN 0.876 nan 8.190 nan 0.000 0.424 82 E N 2.853 123.114 120.200 0.102 0.000 2.259 82 E HA 0.572 4.922 4.350 -0.000 0.000 0.281 82 E C 0.986 177.704 176.600 0.197 0.000 1.037 82 E CA 0.575 57.020 56.400 0.075 0.000 0.854 82 E CB 1.728 31.439 29.700 0.018 0.000 1.051 82 E HN 0.775 nan 8.360 nan 0.000 0.409 83 A N 3.215 126.105 122.820 0.116 0.000 1.848 83 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 83 A C 2.038 179.784 177.584 0.270 0.000 1.220 83 A CA 2.728 54.853 52.037 0.147 0.000 0.645 83 A CB -1.532 17.474 19.000 0.010 0.000 0.842 83 A HN 0.801 nan 8.150 nan 0.000 0.451 84 T N -0.497 114.127 114.554 0.117 0.000 2.751 84 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 84 T C 1.589 176.334 174.700 0.074 0.000 1.045 84 T CA 1.592 63.743 62.100 0.085 0.000 1.142 84 T CB -0.432 68.447 68.868 0.018 0.000 0.851 84 T HN 0.489 nan 8.240 nan 0.000 0.474 85 K N 0.410 120.816 120.400 0.009 0.000 2.589 85 K HA -0.064 4.256 4.320 -0.000 0.000 0.195 85 K C 0.171 176.432 176.600 -0.564 0.000 1.042 85 K CA 0.747 56.865 56.287 -0.282 0.000 0.940 85 K CB -0.328 31.916 32.500 -0.427 0.000 0.776 85 K HN 0.552 nan 8.250 nan 0.000 0.487 86 F N -0.962 118.991 119.950 0.005 0.000 2.746 86 F HA 0.126 4.653 4.527 -0.000 0.000 0.320 86 F C 0.419 176.232 175.800 0.022 0.000 1.097 86 F CA -0.541 57.472 58.000 0.022 0.000 1.195 86 F CB 0.763 39.770 39.000 0.013 0.000 1.056 86 F HN -0.282 nan 8.300 nan 0.000 0.562 87 T N 1.633 116.266 114.554 0.131 0.000 2.845 87 T HA 0.401 4.751 4.350 -0.000 0.000 0.288 87 T C -0.409 174.320 174.700 0.047 0.000 0.980 87 T CA -0.293 61.856 62.100 0.081 0.000 1.071 87 T CB 1.297 70.198 68.868 0.055 0.000 0.941 87 T HN 0.021 nan 8.240 nan 0.000 0.487 88 E N 0.412 120.636 120.200 0.040 0.000 8.643 88 E HA -0.143 4.206 4.350 -0.000 0.000 0.478 88 E C 0.209 176.822 176.600 0.022 0.000 1.175 88 E CA 0.127 56.540 56.400 0.023 0.000 2.097 88 E CB -0.682 29.026 29.700 0.013 0.000 1.001 88 E HN 0.660 nan 8.360 nan 0.000 0.262 89 V N -0.212 119.703 119.914 0.002 0.000 3.840 89 V HA 0.415 4.535 4.120 -0.000 0.000 0.300 89 V C 1.695 177.764 176.094 -0.041 0.000 1.124 89 V CA 1.766 64.054 62.300 -0.021 0.000 1.229 89 V CB 0.064 31.866 31.823 -0.036 0.000 1.114 89 V HN 1.769 nan 8.190 nan 0.000 0.491 90 G N 0.204 108.928 108.800 -0.126 0.000 4.677 90 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 90 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 90 G C -0.290 174.289 174.900 -0.535 0.000 1.506 90 G CA 0.430 45.349 45.100 -0.303 0.000 1.016 90 G HN 1.420 nan 8.290 nan 0.000 0.653 91 Y N 0.622 120.906 120.300 -0.027 0.000 2.344 91 Y HA 0.602 5.152 4.550 -0.000 0.000 0.328 91 Y C 0.735 176.643 175.900 0.014 0.000 1.067 91 Y CA -0.472 57.617 58.100 -0.018 0.000 1.247 91 Y CB 1.614 40.039 38.460 -0.058 0.000 1.113 91 Y HN 0.356 nan 8.280 nan 0.000 0.465 92 V N 0.606 120.616 119.914 0.160 0.000 4.590 92 V HA 0.339 4.459 4.120 -0.000 0.000 0.180 92 V C 1.992 178.195 176.094 0.181 0.000 1.032 92 V CA 0.585 62.981 62.300 0.160 0.000 1.463 92 V CB -0.612 31.264 31.823 0.088 0.000 2.093 92 V HN 0.749 nan 8.190 nan 0.000 0.413 93 G N -0.142 108.725 108.800 0.112 0.000 2.476 93 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 93 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 93 G C 1.480 176.442 174.900 0.103 0.000 1.164 93 G CA 0.905 46.058 45.100 0.089 0.000 0.768 93 G HN 0.316 nan 8.290 nan 0.000 0.560 94 K N 0.663 121.127 120.400 0.107 0.000 2.365 94 K HA -0.014 4.306 4.320 -0.000 0.000 0.199 94 K C 2.318 179.013 176.600 0.158 0.000 1.045 94 K CA 1.194 57.547 56.287 0.110 0.000 0.962 94 K CB 0.147 32.703 32.500 0.094 0.000 0.759 94 K HN 0.700 nan 8.250 nan 0.000 0.469 95 E N -0.341 119.992 120.200 0.221 0.000 2.250 95 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 95 E C 1.750 178.629 176.600 0.465 0.000 0.986 95 E CA 0.322 56.888 56.400 0.276 0.000 0.849 95 E CB -0.037 29.815 29.700 0.254 0.000 0.797 95 E HN -0.111 nan 8.360 nan 0.000 0.482 96 V N 1.218 121.360 119.914 0.379 0.000 2.427 96 V HA -0.179 3.940 4.120 -0.000 0.000 0.248 96 V C 1.040 177.168 176.094 0.056 0.000 1.051 96 V CA 2.342 64.702 62.300 0.100 0.000 1.048 96 V CB -0.293 31.491 31.823 -0.065 0.000 0.666 96 V HN 0.283 nan 8.190 nan 0.000 0.456 97 D N -0.412 120.044 120.400 0.093 0.000 2.312 97 D HA -0.085 4.555 4.640 -0.000 0.000 0.211 97 D C 2.345 178.702 176.300 0.094 0.000 0.964 97 D CA 1.212 55.254 54.000 0.071 0.000 0.877 97 D CB -0.067 40.770 40.800 0.061 0.000 0.924 97 D HN 0.638 nan 8.370 nan 0.000 0.515 98 S N 0.412 116.196 115.700 0.140 0.000 2.351 98 S HA -0.232 4.238 4.470 -0.000 0.000 0.220 98 S C 2.099 176.765 174.600 0.109 0.000 1.035 98 S CA 0.838 59.109 58.200 0.119 0.000 1.031 98 S CB -0.745 62.530 63.200 0.125 0.000 0.928 98 S HN 0.304 nan 8.310 nan 0.000 0.433 99 I N 1.389 122.053 120.570 0.157 0.000 2.504 99 I HA -0.366 3.804 4.170 -0.000 0.000 0.230 99 I C 2.399 178.553 176.117 0.063 0.000 0.933 99 I CA 2.163 63.532 61.300 0.116 0.000 1.236 99 I CB -0.812 37.239 38.000 0.084 0.000 0.947 99 I HN 0.313 nan 8.210 nan 0.000 0.390 100 I N 0.117 120.727 120.570 0.066 0.000 2.045 100 I HA -0.323 3.847 4.170 -0.000 0.000 0.233 100 I C 2.648 178.794 176.117 0.049 0.000 1.048 100 I CA 1.916 63.247 61.300 0.052 0.000 1.313 100 I CB -0.799 37.241 38.000 0.066 0.000 1.043 100 I HN 0.198 nan 8.210 nan 0.000 0.393 101 R N 0.787 121.321 120.500 0.057 0.000 2.227 101 R HA -0.329 4.011 4.340 -0.000 0.000 0.246 101 R C 1.966 178.298 176.300 0.052 0.000 1.119 101 R CA 2.769 58.903 56.100 0.056 0.000 0.930 101 R CB -0.890 29.439 30.300 0.048 0.000 0.912 101 R HN 0.417 nan 8.270 nan 0.000 0.435 102 D N 0.742 121.165 120.400 0.039 0.000 2.177 102 D HA -0.271 4.369 4.640 -0.000 0.000 0.189 102 D C 1.999 178.310 176.300 0.018 0.000 1.002 102 D CA 1.834 55.847 54.000 0.021 0.000 0.845 102 D CB -0.779 40.026 40.800 0.008 0.000 0.960 102 D HN 0.461 nan 8.370 nan 0.000 0.447 103 L N 0.753 121.979 121.223 0.006 0.000 1.990 103 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 103 L C 2.173 179.055 176.870 0.019 0.000 1.072 103 L CA 2.980 57.817 54.840 -0.006 0.000 0.755 103 L CB -1.143 40.902 42.059 -0.024 0.000 0.889 103 L HN 0.049 nan 8.230 nan 0.000 0.432 104 T N -0.412 114.166 114.554 0.040 0.000 2.680 104 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 104 T C 1.445 176.185 174.700 0.067 0.000 1.033 104 T CA 1.766 63.903 62.100 0.062 0.000 1.152 104 T CB -0.819 68.112 68.868 0.105 0.000 0.859 104 T HN 0.558 nan 8.240 nan 0.000 0.452 105 D N 1.998 122.459 120.400 0.102 0.000 2.103 105 D HA 0.050 4.690 4.640 -0.000 0.000 0.199 105 D C 2.441 178.768 176.300 0.045 0.000 0.978 105 D CA 1.237 55.314 54.000 0.128 0.000 0.829 105 D CB -0.713 40.162 40.800 0.126 0.000 0.981 105 D HN 0.500 nan 8.370 nan 0.000 0.464 106 A N 0.795 123.631 122.820 0.027 0.000 2.186 106 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 106 A C 2.114 179.700 177.584 0.003 0.000 1.159 106 A CA 1.784 53.826 52.037 0.009 0.000 0.680 106 A CB -0.338 18.660 19.000 -0.004 0.000 0.787 106 A HN 0.266 nan 8.150 nan 0.000 0.467 107 A N -1.247 121.571 122.820 -0.004 0.000 1.881 107 A HA 0.189 4.509 4.320 -0.000 0.000 0.210 107 A C 2.063 179.614 177.584 -0.056 0.000 1.239 107 A CA 0.966 52.991 52.037 -0.019 0.000 0.629 107 A CB -0.983 18.010 19.000 -0.012 0.000 0.906 107 A HN 0.587 nan 8.150 nan 0.000 0.460 108 V N 1.428 121.276 119.914 -0.109 0.000 2.546 108 V HA -0.326 3.794 4.120 -0.000 0.000 0.254 108 V C 2.525 178.558 176.094 -0.101 0.000 1.076 108 V CA 3.028 65.211 62.300 -0.194 0.000 1.087 108 V CB -0.675 30.862 31.823 -0.477 0.000 0.674 108 V HN 0.845 nan 8.190 nan 0.000 0.470 109 K N -0.880 119.491 120.400 -0.049 0.000 2.116 109 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 109 K C 2.064 178.651 176.600 -0.022 0.000 1.052 109 K CA 1.786 58.060 56.287 -0.021 0.000 0.952 109 K CB -0.527 31.972 32.500 -0.002 0.000 0.729 109 K HN 0.346 nan 8.250 nan 0.000 0.446 110 M N 0.801 120.387 119.600 -0.024 0.000 2.059 110 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 110 M C 2.097 178.378 176.300 -0.031 0.000 1.072 110 M CA 1.561 56.848 55.300 -0.021 0.000 1.117 110 M CB -0.263 32.327 32.600 -0.016 0.000 1.320 110 M HN 0.167 nan 8.290 nan 0.000 0.408 111 V N 0.208 120.096 119.914 -0.044 0.000 2.982 111 V HA -0.283 3.837 4.120 -0.000 0.000 0.265 111 V C 2.209 178.280 176.094 -0.038 0.000 1.122 111 V CA 1.834 64.106 62.300 -0.047 0.000 1.143 111 V CB -0.666 31.121 31.823 -0.060 0.000 0.726 111 V HN 0.431 nan 8.190 nan 0.000 0.507 112 R N -0.267 120.213 120.500 -0.034 0.000 2.075 112 R HA -0.022 4.318 4.340 -0.000 0.000 0.220 112 R C 2.151 178.442 176.300 -0.014 0.000 1.118 112 R CA 1.387 57.474 56.100 -0.022 0.000 0.986 112 R CB -0.162 30.127 30.300 -0.019 0.000 0.884 112 R HN 0.519 nan 8.270 nan 0.000 0.439 113 V N -0.434 119.472 119.914 -0.013 0.000 3.140 113 V HA -0.170 3.950 4.120 -0.000 0.000 0.269 113 V C 0.948 177.037 176.094 -0.009 0.000 1.149 113 V CA 1.598 63.893 62.300 -0.008 0.000 1.162 113 V CB -0.362 31.457 31.823 -0.008 0.000 0.756 113 V HN 0.374 nan 8.190 nan 0.000 0.523 114 Q N 0.556 120.347 119.800 -0.014 0.000 2.477 114 Q HA 0.507 4.847 4.340 -0.000 0.000 0.252 114 Q C 2.238 178.230 176.000 -0.014 0.000 0.869 114 Q CA 0.772 56.566 55.803 -0.016 0.000 0.969 114 Q CB -0.101 28.622 28.738 -0.025 0.000 1.144 114 Q HN 0.541 nan 8.270 nan 0.000 0.577 115 A N 0.701 123.512 122.820 -0.015 0.000 2.131 115 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 115 A C 1.885 179.468 177.584 -0.002 0.000 1.158 115 A CA 1.178 53.209 52.037 -0.011 0.000 0.665 115 A CB -0.254 18.738 19.000 -0.013 0.000 0.795 115 A HN 0.367 nan 8.150 nan 0.000 0.460 116 I N -0.455 120.116 120.570 0.001 0.000 3.265 116 I HA 0.021 4.191 4.170 -0.000 0.000 0.282 116 I C 1.986 178.113 176.117 0.016 0.000 1.207 116 I CA 1.189 62.495 61.300 0.010 0.000 1.449 116 I CB -0.059 37.947 38.000 0.009 0.000 1.121 116 I HN 0.460 nan 8.210 nan 0.000 0.442 117 E N 0.362 120.568 120.200 0.009 0.000 2.204 117 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 117 E C 1.978 178.586 176.600 0.013 0.000 0.989 117 E CA 1.412 57.819 56.400 0.012 0.000 0.824 117 E CB -0.374 29.327 29.700 0.002 0.000 0.756 117 E HN 0.319 nan 8.360 nan 0.000 0.477 118 K N -0.038 120.363 120.400 0.003 0.000 2.098 118 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 118 K C 0.899 177.506 176.600 0.012 0.000 1.051 118 K CA 0.723 57.004 56.287 -0.009 0.000 0.957 118 K CB 0.087 32.576 32.500 -0.019 0.000 0.738 118 K HN 0.122 nan 8.250 nan 0.000 0.447 119 N N 1.434 120.151 118.700 0.029 0.000 2.362 119 N HA 0.001 4.741 4.740 -0.000 0.000 0.211 119 N C 0.424 175.984 175.510 0.083 0.000 1.170 119 N CA 0.254 53.336 53.050 0.054 0.000 0.828 119 N CB 0.225 38.735 38.487 0.037 0.000 1.034 119 N HN 0.084 nan 8.380 nan 0.000 0.475 120 R N -0.487 120.071 120.500 0.096 0.000 2.391 120 R HA 0.005 4.345 4.340 -0.000 0.000 0.225 120 R C 0.334 176.751 176.300 0.196 0.000 1.079 120 R CA 0.225 56.391 56.100 0.110 0.000 1.147 120 R CB 0.089 30.443 30.300 0.090 0.000 1.103 120 R HN 0.249 nan 8.270 nan 0.000 0.499 121 Y N -0.442 119.858 120.300 0.000 0.000 2.569 121 Y HA 0.130 4.680 4.550 -0.000 0.000 0.278 121 Y C 1.919 177.821 175.900 0.003 0.000 1.130 121 Y CA 0.341 58.441 58.100 0.001 0.000 1.280 121 Y CB 0.361 38.822 38.460 0.001 0.000 1.379 121 Y HN -0.185 nan 8.280 nan 0.000 0.508 122 R N 0.552 121.142 120.500 0.150 0.000 2.341 122 R HA -0.039 4.301 4.340 -0.000 0.000 0.213 122 R C 1.667 177.983 176.300 0.026 0.000 1.082 122 R CA 0.827 56.968 56.100 0.069 0.000 1.017 122 R CB -0.629 29.715 30.300 0.074 0.000 0.860 122 R HN 0.357 nan 8.270 nan 0.000 0.473 123 A N 2.018 124.851 122.820 0.023 0.000 1.849 123 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 123 A C 2.036 179.607 177.584 -0.022 0.000 1.269 123 A CA 1.017 53.057 52.037 0.006 0.000 0.605 123 A CB -0.388 18.620 19.000 0.015 0.000 0.937 123 A HN 0.328 nan 8.150 nan 0.000 0.461 124 E N 0.735 120.908 120.200 -0.045 0.000 2.265 124 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 124 E C 1.559 178.100 176.600 -0.097 0.000 0.996 124 E CA 1.634 57.992 56.400 -0.070 0.000 0.832 124 E CB -0.338 29.310 29.700 -0.086 0.000 0.756 124 E HN 0.799 nan 8.360 nan 0.000 0.491 125 E N 1.470 121.596 120.200 -0.124 0.000 2.076 125 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 125 E C 1.831 178.397 176.600 -0.057 0.000 0.979 125 E CA 0.961 57.286 56.400 -0.126 0.000 0.807 125 E CB -0.308 29.292 29.700 -0.168 0.000 0.761 125 E HN 0.401 nan 8.360 nan 0.000 0.454 126 L N 0.165 121.370 121.223 -0.031 0.000 2.558 126 L HA 0.311 4.651 4.340 -0.000 0.000 0.225 126 L C 2.240 179.107 176.870 -0.007 0.000 1.128 126 L CA 0.414 55.250 54.840 -0.007 0.000 0.868 126 L CB -0.097 41.967 42.059 0.007 0.000 1.006 126 L HN 0.282 nan 8.230 nan 0.000 0.454 127 A N 0.864 123.673 122.820 -0.017 0.000 1.975 127 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 127 A C 2.239 179.815 177.584 -0.013 0.000 1.170 127 A CA 1.030 53.060 52.037 -0.013 0.000 0.656 127 A CB -0.113 18.876 19.000 -0.018 0.000 0.821 127 A HN 0.539 nan 8.150 nan 0.000 0.449 128 E N -0.416 119.769 120.200 -0.025 0.000 2.086 128 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 128 E C 1.660 178.258 176.600 -0.003 0.000 0.975 128 E CA 0.880 57.265 56.400 -0.025 0.000 0.813 128 E CB -0.473 29.197 29.700 -0.049 0.000 0.768 128 E HN 0.620 nan 8.360 nan 0.000 0.457 129 E N 0.715 120.915 120.200 -0.001 0.000 2.204 129 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 129 E C 2.178 178.797 176.600 0.031 0.000 0.989 129 E CA 0.714 57.126 56.400 0.020 0.000 0.824 129 E CB 0.073 29.782 29.700 0.016 0.000 0.756 129 E HN 0.098 nan 8.360 nan 0.000 0.477 130 R N 1.153 121.666 120.500 0.021 0.000 2.090 130 R HA -0.072 4.268 4.340 -0.000 0.000 0.228 130 R C 2.115 178.434 176.300 0.032 0.000 1.110 130 R CA 1.268 57.382 56.100 0.023 0.000 0.973 130 R CB -0.224 30.085 30.300 0.014 0.000 0.869 130 R HN 0.245 nan 8.270 nan 0.000 0.440 131 I N -1.798 118.792 120.570 0.035 0.000 3.861 131 I HA 0.202 4.372 4.170 -0.000 0.000 0.329 131 I C 0.744 176.917 176.117 0.093 0.000 1.321 131 I CA 0.043 61.373 61.300 0.050 0.000 1.126 131 I CB 0.322 38.342 38.000 0.034 0.000 1.018 131 I HN 0.078 nan 8.210 nan 0.000 0.407 132 L N 0.774 122.056 121.223 0.098 0.000 2.477 132 L HA 0.255 4.595 4.340 -0.000 0.000 0.220 132 L C 0.791 177.774 176.870 0.189 0.000 1.106 132 L CA 1.167 56.111 54.840 0.172 0.000 0.851 132 L CB -0.196 41.930 42.059 0.112 0.000 0.994 132 L HN 0.137 nan 8.230 nan 0.000 0.462 133 D N 0.540 120.999 120.400 0.099 0.000 3.008 133 D HA 0.186 4.825 4.640 -0.000 0.000 0.242 133 D C -0.337 175.976 176.300 0.022 0.000 1.222 133 D CA 0.343 54.373 54.000 0.049 0.000 0.883 133 D CB -0.111 40.706 40.800 0.029 0.000 1.110 133 D HN 0.106 nan 8.370 nan 0.000 0.455 134 V N -3.099 116.833 119.914 0.031 0.000 3.087 134 V HA 0.602 4.722 4.120 -0.000 0.000 0.306 134 V C 0.075 176.067 176.094 -0.170 0.000 1.187 134 V CA -0.863 61.427 62.300 -0.017 0.000 0.999 134 V CB 3.025 34.881 31.823 0.055 0.000 1.049 134 V HN 0.058 nan 8.190 nan 0.000 0.431 135 L N 1.275 122.389 121.223 -0.182 0.000 4.305 135 L HA -0.055 4.285 4.340 -0.000 0.000 0.120 135 L C -0.372 176.346 176.870 -0.253 0.000 4.026 135 L CA 1.858 56.530 54.840 -0.279 0.000 1.017 135 L CB -1.342 40.291 42.059 -0.710 0.000 3.380 135 L HN 1.179 nan 8.230 nan 0.000 1.069 136 I N 0.737 121.099 120.570 -0.346 0.000 2.503 136 I HA 0.533 4.703 4.170 -0.000 0.000 0.282 136 I C -2.385 173.623 176.117 -0.182 0.000 1.059 136 I CA -1.498 59.672 61.300 -0.217 0.000 1.081 136 I CB 1.557 39.441 38.000 -0.194 0.000 1.210 136 I HN 0.162 nan 8.210 nan 0.000 0.450 137 P HA 0.358 nan 4.420 nan 0.000 0.274 137 P C -2.081 175.184 177.300 -0.058 0.000 1.231 137 P CA -0.830 62.223 63.100 -0.080 0.000 0.790 137 P CB 0.745 32.411 31.700 -0.056 0.000 0.951 138 P HA 0.152 nan 4.420 nan 0.000 0.209 138 P C 0.172 177.464 177.300 -0.014 0.000 1.196 138 P CA 0.842 63.928 63.100 -0.023 0.000 0.906 138 P CB 0.089 31.783 31.700 -0.009 0.000 0.754 139 A N -1.413 121.404 122.820 -0.006 0.000 2.583 139 A HA 0.663 4.983 4.320 -0.000 0.000 0.299 139 A C -0.481 177.105 177.584 0.002 0.000 1.258 139 A CA -0.422 51.614 52.037 -0.001 0.000 0.682 139 A CB 0.589 19.593 19.000 0.006 0.000 1.332 139 A HN -0.016 nan 8.150 nan 0.000 0.485 140 K N 0.185 120.588 120.400 0.006 0.000 3.012 140 K HA 0.267 4.587 4.320 -0.000 0.000 0.207 140 K C -1.105 175.505 176.600 0.017 0.000 1.130 140 K CA 0.091 56.381 56.287 0.006 0.000 1.021 140 K CB -0.053 32.446 32.500 -0.003 0.000 0.736 140 K HN 0.618 nan 8.250 nan 0.000 0.448 141 N N 0.977 119.694 118.700 0.029 0.000 2.682 141 N HA 0.211 4.951 4.740 -0.000 0.000 0.252 141 N C -1.598 173.954 175.510 0.070 0.000 1.081 141 N CA -0.600 52.475 53.050 0.043 0.000 0.844 141 N CB 1.031 39.538 38.487 0.033 0.000 1.167 141 N HN 0.162 nan 8.380 nan 0.000 0.523 142 N N -0.259 118.505 118.700 0.106 0.000 2.629 142 N HA 0.432 5.172 4.740 -0.000 0.000 0.279 142 N C -0.896 174.798 175.510 0.308 0.000 1.344 142 N CA -0.801 52.359 53.050 0.183 0.000 0.789 142 N CB 0.866 39.481 38.487 0.214 0.000 1.508 142 N HN 0.299 nan 8.380 nan 0.000 0.516 143 W N -0.516 120.785 121.300 0.003 0.000 4.233 143 W HA -0.166 4.494 4.660 -0.000 0.000 0.328 143 W C 1.285 177.806 176.519 0.002 0.000 1.212 143 W CA 0.977 58.324 57.345 0.003 0.000 0.752 143 W CB -1.639 27.823 29.460 0.003 0.000 2.277 143 W HN 0.790 nan 8.180 nan 0.000 1.465 144 G N -1.485 107.405 108.800 0.149 0.000 2.539 144 G HA2 0.119 4.079 3.960 -0.000 0.000 0.215 144 G HA3 0.119 4.079 3.960 -0.000 0.000 0.215 144 G C 0.619 175.541 174.900 0.037 0.000 1.141 144 G CA 0.680 45.834 45.100 0.090 0.000 0.806 144 G HN 0.134 nan 8.290 nan 0.000 0.533 145 Q N -1.149 118.653 119.800 0.003 0.000 2.301 145 Q HA 0.627 4.967 4.340 -0.000 0.000 0.267 145 Q C 0.631 176.584 176.000 -0.078 0.000 1.035 145 Q CA -0.317 55.470 55.803 -0.028 0.000 0.856 145 Q CB 1.956 30.680 28.738 -0.023 0.000 1.337 145 Q HN -0.026 nan 8.270 nan 0.000 0.450 146 T N 1.134 115.644 114.554 -0.074 0.000 3.014 146 T HA 0.092 4.442 4.350 -0.000 0.000 0.250 146 T C 0.466 175.111 174.700 -0.092 0.000 1.060 146 T CA 0.629 62.667 62.100 -0.104 0.000 1.040 146 T CB 0.305 69.127 68.868 -0.076 0.000 0.971 146 T HN 0.644 nan 8.240 nan 0.000 0.497 147 E N -0.193 119.968 120.200 -0.066 0.000 2.571 147 E HA 0.183 4.533 4.350 -0.000 0.000 0.222 147 E C 0.282 176.856 176.600 -0.044 0.000 0.904 147 E CA -0.042 56.327 56.400 -0.053 0.000 1.157 147 E CB 0.689 30.366 29.700 -0.038 0.000 1.158 147 E HN 0.149 nan 8.360 nan 0.000 0.540 148 Q N 1.654 121.429 119.800 -0.041 0.000 2.454 148 Q HA 0.196 4.536 4.340 -0.000 0.000 0.255 148 Q C -1.493 174.490 176.000 -0.028 0.000 1.034 148 Q CA -0.199 55.587 55.803 -0.028 0.000 0.736 148 Q CB 1.481 30.209 28.738 -0.016 0.000 1.210 148 Q HN 0.098 nan 8.270 nan 0.000 0.500 149 Q N 2.853 122.635 119.800 -0.030 0.000 3.550 149 Q HA 0.155 4.495 4.340 -0.000 0.000 0.206 149 Q C -1.091 174.903 176.000 -0.010 0.000 0.891 149 Q CA 0.159 55.949 55.803 -0.022 0.000 0.737 149 Q CB 0.977 29.684 28.738 -0.051 0.000 1.417 149 Q HN 0.794 nan 8.270 nan 0.000 0.460 150 Q N 1.148 120.948 119.800 0.000 0.000 1.882 150 Q HA 0.102 4.442 4.340 -0.000 0.000 0.188 150 Q C -0.232 175.774 176.000 0.010 0.000 0.795 150 Q CA 0.286 56.091 55.803 0.005 0.000 0.932 150 Q CB 1.008 29.745 28.738 -0.001 0.000 1.239 150 Q HN 0.471 nan 8.270 nan 0.000 0.406 151 E N -0.971 119.237 120.200 0.013 0.000 3.001 151 E HA 0.107 4.457 4.350 -0.000 0.000 0.211 151 E C -1.409 175.201 176.600 0.018 0.000 1.026 151 E CA 0.409 56.818 56.400 0.014 0.000 1.614 151 E CB 0.254 29.960 29.700 0.010 0.000 1.672 151 E HN 0.192 nan 8.360 nan 0.000 0.869 152 P HA -0.119 nan 4.420 nan 0.000 0.210 152 P C 0.200 177.515 177.300 0.026 0.000 1.185 152 P CA 1.337 64.451 63.100 0.023 0.000 0.924 152 P CB -0.600 31.119 31.700 0.030 0.000 0.786 153 S N 0.121 115.842 115.700 0.036 0.000 2.560 153 S HA 0.386 4.856 4.470 -0.000 0.000 0.323 153 S C 0.472 175.092 174.600 0.033 0.000 1.191 153 S CA -0.163 58.060 58.200 0.039 0.000 1.231 153 S CB -0.727 62.507 63.200 0.058 0.000 1.224 153 S HN 0.436 nan 8.310 nan 0.000 0.545 154 A N 2.466 125.302 122.820 0.025 0.000 3.453 154 A HA 0.751 5.071 4.320 -0.000 0.000 0.262 154 A C 0.913 178.510 177.584 0.021 0.000 1.026 154 A CA -0.155 51.898 52.037 0.027 0.000 0.938 154 A CB -0.149 18.865 19.000 0.023 0.000 1.246 154 A HN 1.086 nan 8.150 nan 0.000 0.546 155 A N 0.366 123.200 122.820 0.022 0.000 2.147 155 A HA 0.247 4.567 4.320 -0.000 0.000 0.211 155 A C 1.622 179.245 177.584 0.065 0.000 1.160 155 A CA 1.022 53.057 52.037 -0.004 0.000 0.781 155 A CB 0.012 18.996 19.000 -0.026 0.000 0.842 155 A HN 0.609 nan 8.150 nan 0.000 0.475 156 R N -1.101 119.465 120.500 0.109 0.000 2.531 156 R HA 0.267 4.607 4.340 -0.000 0.000 0.316 156 R C 0.923 177.293 176.300 0.117 0.000 0.955 156 R CA -0.073 56.132 56.100 0.175 0.000 1.120 156 R CB -0.577 29.811 30.300 0.146 0.000 1.361 156 R HN 0.275 nan 8.270 nan 0.000 0.534 157 Q N 0.736 120.586 119.800 0.084 0.000 2.557 157 Q HA 0.160 4.500 4.340 -0.000 0.000 0.217 157 Q C 0.239 176.276 176.000 0.063 0.000 0.978 157 Q CA 1.128 56.966 55.803 0.059 0.000 0.950 157 Q CB 0.491 29.255 28.738 0.043 0.000 0.991 157 Q HN 0.561 nan 8.270 nan 0.000 0.533 158 A N -1.456 121.423 122.820 0.097 0.000 2.374 158 A HA 0.121 4.441 4.320 -0.000 0.000 0.212 158 A C 0.245 177.926 177.584 0.161 0.000 1.747 158 A CA -0.487 51.607 52.037 0.095 0.000 1.235 158 A CB -0.364 18.684 19.000 0.080 0.000 0.997 158 A HN 0.343 nan 8.150 nan 0.000 0.456 159 F N 1.074 121.023 119.950 -0.001 0.000 2.706 159 F HA 0.200 4.727 4.527 -0.000 0.000 0.313 159 F C 1.926 177.724 175.800 -0.005 0.000 1.096 159 F CA 0.596 58.595 58.000 -0.002 0.000 1.219 159 F CB 0.410 39.409 39.000 -0.001 0.000 1.051 159 F HN 0.245 nan 8.300 nan 0.000 0.568 160 R N 0.873 121.348 120.500 -0.043 0.000 2.189 160 R HA -0.104 4.236 4.340 -0.000 0.000 0.218 160 R C 1.949 178.147 176.300 -0.170 0.000 1.074 160 R CA 1.631 57.669 56.100 -0.103 0.000 0.991 160 R CB -0.634 29.648 30.300 -0.029 0.000 0.883 160 R HN 0.311 nan 8.270 nan 0.000 0.457 161 K N 1.201 121.506 120.400 -0.158 0.000 2.305 161 K HA 0.018 4.338 4.320 -0.000 0.000 0.199 161 K C 1.080 177.556 176.600 -0.207 0.000 1.047 161 K CA 0.666 56.869 56.287 -0.140 0.000 0.976 161 K CB 0.263 32.715 32.500 -0.079 0.000 0.765 161 K HN 0.030 nan 8.250 nan 0.000 0.474 162 K N 1.002 121.181 120.400 -0.367 0.000 2.520 162 K HA 0.117 4.437 4.320 -0.000 0.000 0.205 162 K C 0.524 176.792 176.600 -0.552 0.000 1.035 162 K CA 0.039 56.061 56.287 -0.441 0.000 1.188 162 K CB 0.311 32.509 32.500 -0.503 0.000 0.894 162 K HN 0.190 nan 8.250 nan 0.000 0.497 163 L N -0.717 120.258 121.223 -0.414 0.000 3.327 163 L HA 0.145 4.485 4.340 -0.000 0.000 0.299 163 L C 1.612 178.382 176.870 -0.166 0.000 1.201 163 L CA -0.023 54.642 54.840 -0.291 0.000 1.059 163 L CB 0.303 42.186 42.059 -0.294 0.000 1.488 163 L HN -0.068 nan 8.230 nan 0.000 0.609 164 R N 0.251 120.659 120.500 -0.154 0.000 2.046 164 R HA 0.017 4.357 4.340 -0.000 0.000 0.223 164 R C 1.662 177.912 176.300 -0.083 0.000 1.179 164 R CA 1.629 57.667 56.100 -0.103 0.000 0.952 164 R CB -0.257 29.988 30.300 -0.092 0.000 0.843 164 R HN 0.395 nan 8.270 nan 0.000 0.439 165 E N 0.099 120.249 120.200 -0.082 0.000 2.251 165 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 165 E C 0.894 177.456 176.600 -0.063 0.000 0.964 165 E CA 0.674 57.038 56.400 -0.061 0.000 0.868 165 E CB 0.210 29.881 29.700 -0.050 0.000 0.828 165 E HN 0.261 nan 8.360 nan 0.000 0.481 166 G N 1.909 110.656 108.800 -0.088 0.000 3.949 166 G HA2 0.095 4.055 3.960 -0.000 0.000 0.295 166 G HA3 0.095 4.055 3.960 -0.000 0.000 0.295 166 G C 0.648 175.491 174.900 -0.095 0.000 1.286 166 G CA -0.162 44.889 45.100 -0.081 0.000 1.171 166 G HN 0.247 nan 8.290 nan 0.000 0.586 167 Q N 0.542 120.293 119.800 -0.082 0.000 1.916 167 Q HA 0.141 4.481 4.340 -0.000 0.000 0.203 167 Q C 1.644 177.629 176.000 -0.025 0.000 0.983 167 Q CA 0.805 56.568 55.803 -0.067 0.000 0.846 167 Q CB -0.641 28.064 28.738 -0.054 0.000 0.909 167 Q HN 0.383 nan 8.270 nan 0.000 0.427 168 L N -1.145 120.068 121.223 -0.017 0.000 6.032 168 L HA -0.450 3.890 4.340 -0.000 0.000 0.053 168 L C 0.024 176.900 176.870 0.011 0.000 2.286 168 L CA 1.302 56.141 54.840 -0.002 0.000 1.682 168 L CB -2.521 39.538 42.059 0.001 0.000 2.737 168 L HN 0.559 nan 8.230 nan 0.000 0.986 169 D N -0.338 120.074 120.400 0.020 0.000 4.488 169 D HA -0.201 4.439 4.640 -0.000 0.000 0.303 169 D C 0.147 176.459 176.300 0.020 0.000 2.374 169 D CA 1.510 55.528 54.000 0.029 0.000 1.117 169 D CB -0.619 40.210 40.800 0.048 0.000 1.102 169 D HN 1.082 nan 8.370 nan 0.000 1.284 170 D N -1.670 118.743 120.400 0.021 0.000 2.738 170 D HA 0.003 4.643 4.640 -0.000 0.000 0.345 170 D C 0.166 176.475 176.300 0.015 0.000 1.465 170 D CA 0.261 54.270 54.000 0.015 0.000 0.935 170 D CB 0.205 41.012 40.800 0.011 0.000 1.543 170 D HN 0.425 nan 8.370 nan 0.000 0.399 171 K N 0.238 120.651 120.400 0.020 0.000 2.251 171 K HA 0.187 4.507 4.320 -0.000 0.000 0.247 171 K C 0.712 177.320 176.600 0.014 0.000 1.098 171 K CA 0.332 56.629 56.287 0.018 0.000 0.800 171 K CB 0.305 32.820 32.500 0.024 0.000 1.086 171 K HN 0.020 nan 8.250 nan 0.000 0.520 172 E N -1.495 118.712 120.200 0.011 0.000 3.844 172 E HA 0.214 4.564 4.350 -0.000 0.000 0.201 172 E C 0.668 177.273 176.600 0.007 0.000 1.278 172 E CA 0.402 56.807 56.400 0.008 0.000 1.565 172 E CB 0.232 29.935 29.700 0.004 0.000 1.543 172 E HN 0.599 nan 8.360 nan 0.000 0.584 173 I N -1.293 119.279 120.570 0.004 0.000 3.767 173 I HA 0.449 4.619 4.170 -0.000 0.000 0.276 173 I C 0.186 176.301 176.117 -0.003 0.000 1.128 173 I CA -0.947 60.353 61.300 0.001 0.000 1.212 173 I CB 0.913 38.911 38.000 -0.004 0.000 1.369 173 I HN -0.186 nan 8.210 nan 0.000 0.459 211 Q N 2.653 122.454 119.800 0.001 0.000 2.280 211 Q HA 0.451 4.791 4.340 -0.000 0.000 0.259 211 Q C -1.887 174.113 176.000 0.001 0.000 0.964 211 Q CA -0.576 55.227 55.803 0.001 0.000 0.844 211 Q CB 2.413 31.152 28.738 0.001 0.000 1.334 211 Q HN 0.725 nan 8.270 nan 0.000 0.423 212 K N 2.139 122.540 120.400 0.001 0.000 2.575 212 K HA 0.656 4.976 4.320 -0.000 0.000 0.255 212 K C -1.284 175.317 176.600 0.001 0.000 0.953 212 K CA 0.362 56.650 56.287 0.001 0.000 0.840 212 K CB 1.872 34.373 32.500 0.001 0.000 1.303 212 K HN 0.688 nan 8.250 nan 0.000 0.438 213 A N 3.409 126.230 122.820 0.002 0.000 2.574 213 A HA 0.264 4.584 4.320 -0.000 0.000 0.246 213 A C -0.378 177.207 177.584 0.002 0.000 1.025 213 A CA -0.274 51.764 52.037 0.002 0.000 1.043 213 A CB 0.449 19.450 19.000 0.002 0.000 1.177 213 A HN 0.530 nan 8.150 nan 0.000 0.526 214 R N 1.237 121.738 120.500 0.002 0.000 2.532 214 R HA 0.451 4.791 4.340 -0.000 0.000 0.297 214 R C -1.012 175.290 176.300 0.002 0.000 0.984 214 R CA -0.482 55.619 56.100 0.002 0.000 0.884 214 R CB 1.438 31.739 30.300 0.002 0.000 1.182 214 R HN 0.228 nan 8.270 nan 0.000 0.442 215 K N 4.846 125.248 120.400 0.003 0.000 2.156 215 K HA 0.335 4.655 4.320 -0.000 0.000 0.271 215 K C -0.463 176.140 176.600 0.004 0.000 0.995 215 K CA -0.589 55.700 56.287 0.003 0.000 0.890 215 K CB 1.598 34.100 32.500 0.003 0.000 1.073 215 K HN 0.394 nan 8.250 nan 0.000 0.454 216 L N 3.216 124.442 121.223 0.005 0.000 2.276 216 L HA 0.342 4.682 4.340 -0.000 0.000 0.286 216 L C -0.110 176.765 176.870 0.008 0.000 1.061 216 L CA -0.335 54.509 54.840 0.006 0.000 0.807 216 L CB 0.282 42.344 42.059 0.006 0.000 1.177 216 L HN 0.514 nan 8.230 nan 0.000 0.429 217 K N 3.555 123.960 120.400 0.008 0.000 2.553 217 K HA 0.357 4.677 4.320 -0.000 0.000 0.250 217 K C 0.310 176.915 176.600 0.008 0.000 0.953 217 K CA -0.929 55.364 56.287 0.010 0.000 0.800 217 K CB 2.275 34.779 32.500 0.007 0.000 1.243 217 K HN 0.211 nan 8.250 nan 0.000 0.435 218 I N 1.625 122.204 120.570 0.014 0.000 2.367 218 I HA -0.327 3.843 4.170 -0.000 0.000 0.256 218 I C 2.055 178.170 176.117 -0.004 0.000 1.132 218 I CA 1.695 63.001 61.300 0.010 0.000 1.397 218 I CB -0.868 37.144 38.000 0.019 0.000 1.074 218 I HN 0.809 nan 8.210 nan 0.000 0.435 219 K N 0.440 120.838 120.400 -0.003 0.000 2.062 219 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 219 K C 1.571 178.166 176.600 -0.009 0.000 1.051 219 K CA 1.500 57.782 56.287 -0.009 0.000 0.941 219 K CB 0.107 32.603 32.500 -0.006 0.000 0.719 219 K HN 0.139 nan 8.250 nan 0.000 0.440 220 D N -0.774 119.623 120.400 -0.004 0.000 2.366 220 D HA 0.136 4.776 4.640 -0.000 0.000 0.205 220 D C 1.348 177.646 176.300 -0.003 0.000 1.022 220 D CA 0.443 54.440 54.000 -0.004 0.000 0.868 220 D CB 0.488 41.287 40.800 -0.001 0.000 0.953 220 D HN 0.259 nan 8.370 nan 0.000 0.514 221 A N 0.447 123.266 122.820 -0.002 0.000 1.929 221 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 221 A C 2.095 179.676 177.584 -0.005 0.000 1.176 221 A CA 0.727 52.764 52.037 -0.000 0.000 0.628 221 A CB -0.383 18.620 19.000 0.005 0.000 0.816 221 A HN 0.131 nan 8.150 nan 0.000 0.444 222 M N -0.881 118.712 119.600 -0.011 0.000 2.346 222 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 222 M C 2.010 178.298 176.300 -0.019 0.000 1.064 222 M CA 1.489 56.777 55.300 -0.020 0.000 1.083 222 M CB -0.348 32.235 32.600 -0.029 0.000 1.399 222 M HN 0.472 nan 8.290 nan 0.000 0.435 223 K N -0.511 119.881 120.400 -0.013 0.000 2.335 223 K HA 0.082 4.402 4.320 -0.000 0.000 0.195 223 K C 1.735 178.332 176.600 -0.006 0.000 1.058 223 K CA 0.106 56.386 56.287 -0.011 0.000 0.988 223 K CB 0.538 33.033 32.500 -0.009 0.000 0.880 223 K HN 0.218 nan 8.250 nan 0.000 0.513 224 L N 1.041 122.261 121.223 -0.004 0.000 2.249 224 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 224 L C 1.733 178.603 176.870 -0.000 0.000 1.090 224 L CA 0.220 55.059 54.840 -0.001 0.000 0.802 224 L CB 0.163 42.222 42.059 0.000 0.000 0.947 224 L HN 0.138 nan 8.230 nan 0.000 0.453 225 L N -0.156 121.066 121.223 -0.002 0.000 2.549 225 L HA -0.149 4.191 4.340 -0.000 0.000 0.229 225 L C 2.088 178.957 176.870 -0.001 0.000 1.158 225 L CA 1.461 56.301 54.840 -0.000 0.000 0.842 225 L CB -0.561 41.497 42.059 -0.001 0.000 0.952 225 L HN 0.362 nan 8.230 nan 0.000 0.452 226 I N -0.549 120.019 120.570 -0.003 0.000 2.400 226 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 226 I C 2.117 178.236 176.117 0.004 0.000 1.109 226 I CA 0.564 61.863 61.300 -0.001 0.000 1.425 226 I CB 0.108 38.106 38.000 -0.004 0.000 1.094 226 I HN 0.111 nan 8.210 nan 0.000 0.425 227 E N 0.983 121.185 120.200 0.004 0.000 2.209 227 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 227 E C 1.913 178.517 176.600 0.007 0.000 0.993 227 E CA 1.076 57.479 56.400 0.006 0.000 0.819 227 E CB -0.074 29.629 29.700 0.005 0.000 0.745 227 E HN 0.523 nan 8.360 nan 0.000 0.477 228 E N 0.360 120.563 120.200 0.006 0.000 2.021 228 E HA -0.106 4.244 4.350 -0.000 0.000 0.189 228 E C 1.884 178.490 176.600 0.010 0.000 0.980 228 E CA 0.689 57.093 56.400 0.007 0.000 0.803 228 E CB -0.084 29.620 29.700 0.006 0.000 0.766 228 E HN 0.165 nan 8.360 nan 0.000 0.449 229 E N 0.768 120.974 120.200 0.010 0.000 2.204 229 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 229 E C 1.901 178.511 176.600 0.017 0.000 0.989 229 E CA 0.691 57.099 56.400 0.014 0.000 0.824 229 E CB -0.014 29.694 29.700 0.013 0.000 0.756 229 E HN 0.191 nan 8.360 nan 0.000 0.477 230 A N 0.658 123.487 122.820 0.015 0.000 2.209 230 A HA 0.102 4.421 4.320 -0.000 0.000 0.212 230 A C 1.946 179.539 177.584 0.016 0.000 1.158 230 A CA 1.191 53.239 52.037 0.018 0.000 0.742 230 A CB -0.048 18.962 19.000 0.015 0.000 0.790 230 A HN 0.166 nan 8.150 nan 0.000 0.472 231 A N -1.273 121.556 122.820 0.014 0.000 2.430 231 A HA 0.360 4.680 4.320 -0.000 0.000 0.243 231 A C 1.527 179.120 177.584 0.015 0.000 1.254 231 A CA 0.275 52.321 52.037 0.014 0.000 0.914 231 A CB 0.058 19.065 19.000 0.012 0.000 0.998 231 A HN 0.378 nan 8.150 nan 0.000 0.515 232 K N -0.894 119.516 120.400 0.016 0.000 2.348 232 K HA 0.266 4.586 4.320 -0.000 0.000 0.194 232 K C 0.089 176.701 176.600 0.019 0.000 1.052 232 K CA 0.283 56.580 56.287 0.017 0.000 1.004 232 K CB 0.261 32.772 32.500 0.018 0.000 0.873 232 K HN 0.319 nan 8.250 nan 0.000 0.523 233 L N 0.997 122.232 121.223 0.020 0.000 2.741 233 L HA 0.099 4.439 4.340 -0.000 0.000 0.237 233 L C -0.329 176.551 176.870 0.017 0.000 1.178 233 L CA -0.001 54.851 54.840 0.021 0.000 0.973 233 L CB 0.869 42.944 42.059 0.026 0.000 1.255 233 L HN -0.147 nan 8.230 nan 0.000 0.498 234 V N -2.044 117.879 119.914 0.015 0.000 2.294 234 V HA 0.477 4.597 4.120 -0.000 0.000 0.272 234 V C -0.287 175.815 176.094 0.013 0.000 1.027 234 V CA -0.785 61.522 62.300 0.012 0.000 0.823 234 V CB 0.533 32.363 31.823 0.012 0.000 1.030 234 V HN 0.316 nan 8.190 nan 0.000 0.457 235 N N 6.995 125.702 118.700 0.012 0.000 2.527 235 N HA 0.312 5.052 4.740 -0.000 0.000 0.236 235 N C -2.059 173.459 175.510 0.013 0.000 0.999 235 N CA -1.430 51.628 53.050 0.013 0.000 0.935 235 N CB 2.025 40.520 38.487 0.013 0.000 1.132 235 N HN 0.360 nan 8.380 nan 0.000 0.511 236 P HA -0.212 nan 4.420 nan 0.000 0.219 236 P C 0.665 177.977 177.300 0.020 0.000 1.149 236 P CA 1.586 64.700 63.100 0.022 0.000 0.835 236 P CB 0.552 32.273 31.700 0.034 0.000 0.778 237 E N 0.166 120.378 120.200 0.020 0.000 2.033 237 E HA -0.154 4.196 4.350 -0.000 0.000 0.189 237 E C 1.981 178.588 176.600 0.011 0.000 0.979 237 E CA 1.301 57.713 56.400 0.020 0.000 0.802 237 E CB -1.142 28.571 29.700 0.021 0.000 0.763 237 E HN 0.495 nan 8.360 nan 0.000 0.449 238 E N 0.822 121.027 120.200 0.009 0.000 2.396 238 E HA -0.169 4.181 4.350 -0.000 0.000 0.200 238 E C 1.389 177.986 176.600 -0.005 0.000 1.023 238 E CA 1.082 57.485 56.400 0.005 0.000 0.857 238 E CB -0.246 29.457 29.700 0.005 0.000 0.775 238 E HN 0.286 nan 8.360 nan 0.000 0.525 239 L N -0.659 120.557 121.223 -0.011 0.000 2.347 239 L HA 0.208 4.548 4.340 -0.000 0.000 0.196 239 L C 2.525 179.365 176.870 -0.049 0.000 1.072 239 L CA 0.232 55.054 54.840 -0.030 0.000 0.817 239 L CB -0.390 41.650 42.059 -0.032 0.000 1.029 239 L HN -0.081 nan 8.230 nan 0.000 0.478 240 K N 0.952 121.329 120.400 -0.039 0.000 1.969 240 K HA -0.266 4.054 4.320 -0.000 0.000 0.216 240 K C 2.142 178.732 176.600 -0.018 0.000 1.048 240 K CA 2.272 58.533 56.287 -0.043 0.000 0.948 240 K CB -0.247 32.267 32.500 0.023 0.000 0.726 240 K HN 0.294 nan 8.250 nan 0.000 0.442 241 Q N 0.831 120.635 119.800 0.008 0.000 2.217 241 Q HA -0.229 4.111 4.340 -0.000 0.000 0.209 241 Q C 1.207 177.215 176.000 0.013 0.000 0.988 241 Q CA 2.282 58.095 55.803 0.018 0.000 0.878 241 Q CB -0.292 28.459 28.738 0.022 0.000 0.909 241 Q HN 0.260 nan 8.270 nan 0.000 0.424 242 D N 0.223 120.622 120.400 -0.002 0.000 2.103 242 D HA 0.014 4.654 4.640 -0.000 0.000 0.199 242 D C 1.880 178.172 176.300 -0.013 0.000 0.978 242 D CA 1.733 55.729 54.000 -0.006 0.000 0.829 242 D CB -0.497 40.292 40.800 -0.018 0.000 0.981 242 D HN 0.406 nan 8.370 nan 0.000 0.464 243 A N 0.836 123.634 122.820 -0.036 0.000 1.845 243 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 243 A C 2.379 179.959 177.584 -0.006 0.000 1.195 243 A CA 1.108 53.118 52.037 -0.045 0.000 0.616 243 A CB -1.067 17.872 19.000 -0.102 0.000 0.832 243 A HN 0.283 nan 8.150 nan 0.000 0.443 244 I N -0.226 120.344 120.570 -0.001 0.000 2.182 244 I HA -0.391 3.779 4.170 -0.000 0.000 0.248 244 I C 1.870 178.025 176.117 0.064 0.000 1.073 244 I CA 2.248 63.569 61.300 0.035 0.000 1.335 244 I CB -0.190 37.835 38.000 0.042 0.000 1.031 244 I HN 0.360 nan 8.210 nan 0.000 0.420 245 D N 0.867 121.310 120.400 0.072 0.000 2.085 245 D HA -0.051 4.589 4.640 -0.000 0.000 0.199 245 D C 1.827 178.251 176.300 0.207 0.000 0.981 245 D CA 1.432 55.505 54.000 0.122 0.000 0.834 245 D CB -0.345 40.523 40.800 0.112 0.000 0.992 245 D HN 0.382 nan 8.370 nan 0.000 0.457 246 A N 0.081 122.976 122.820 0.126 0.000 2.142 246 A HA 0.143 4.463 4.320 -0.000 0.000 0.208 246 A C 1.241 178.909 177.584 0.140 0.000 1.344 246 A CA 0.506 52.576 52.037 0.054 0.000 1.045 246 A CB -0.374 18.549 19.000 -0.128 0.000 0.784 246 A HN 0.130 nan 8.150 nan 0.000 0.509 247 V N -1.258 118.769 119.914 0.188 0.000 4.138 247 V HA -0.044 4.076 4.120 -0.000 0.000 0.171 247 V C 1.876 178.040 176.094 0.118 0.000 1.315 247 V CA 0.674 63.047 62.300 0.122 0.000 1.238 247 V CB -0.347 31.515 31.823 0.065 0.000 1.358 247 V HN 0.731 nan 8.190 nan 0.000 0.587 248 E N 0.339 120.602 120.200 0.104 0.000 2.515 248 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 248 E C 1.601 178.267 176.600 0.110 0.000 1.071 248 E CA 1.082 57.535 56.400 0.088 0.000 0.880 248 E CB 0.097 29.838 29.700 0.069 0.000 0.828 248 E HN 0.538 nan 8.360 nan 0.000 0.540 249 Q N -0.248 119.613 119.800 0.103 0.000 2.369 249 Q HA 0.074 4.414 4.340 -0.000 0.000 0.254 249 Q C 0.070 175.862 176.000 -0.347 0.000 0.858 249 Q CA 0.621 56.370 55.803 -0.091 0.000 0.961 249 Q CB 0.830 29.477 28.738 -0.152 0.000 1.119 249 Q HN 0.534 nan 8.270 nan 0.000 0.538 250 H N -0.934 118.167 119.070 0.051 0.000 2.674 250 H HA 0.452 5.008 4.556 -0.000 0.000 0.235 250 H C 0.027 175.369 175.328 0.024 0.000 1.330 250 H CA -0.234 55.836 56.048 0.037 0.000 1.052 250 H CB 0.392 30.172 29.762 0.030 0.000 1.954 250 H HN 0.031 nan 8.280 nan 0.000 0.566 251 G N 0.685 109.537 108.800 0.087 0.000 2.356 251 G HA2 0.516 4.476 3.960 -0.000 0.000 0.298 251 G HA3 0.516 4.476 3.960 -0.000 0.000 0.298 251 G C -0.665 174.213 174.900 -0.037 0.000 1.145 251 G CA -0.445 44.663 45.100 0.013 0.000 0.850 251 G HN 0.248 nan 8.290 nan 0.000 0.487 252 I N 1.931 122.509 120.570 0.014 0.000 2.476 252 I HA 0.250 4.420 4.170 -0.000 0.000 0.281 252 I C -0.231 175.981 176.117 0.158 0.000 1.040 252 I CA -0.666 60.684 61.300 0.084 0.000 1.094 252 I CB 1.993 40.098 38.000 0.176 0.000 1.219 252 I HN 0.200 nan 8.210 nan 0.000 0.450 253 V N 5.227 125.106 119.914 -0.057 0.000 2.483 253 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 253 V C -0.614 175.660 176.094 0.299 0.000 1.035 253 V CA -0.759 61.529 62.300 -0.020 0.000 0.896 253 V CB 1.824 33.478 31.823 -0.281 0.000 0.986 253 V HN 0.555 nan 8.190 nan 0.000 0.447 254 F N 5.331 125.348 119.950 0.111 0.000 2.382 254 F HA 0.590 5.117 4.527 -0.000 0.000 0.361 254 F C -0.329 175.545 175.800 0.123 0.000 1.109 254 F CA -0.953 57.172 58.000 0.209 0.000 1.031 254 F CB 0.865 40.094 39.000 0.382 0.000 1.234 254 F HN 0.292 nan 8.300 nan 0.000 0.445 255 I N 4.906 125.350 120.570 -0.211 0.000 2.301 255 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 255 I C 0.011 175.849 176.117 -0.465 0.000 1.046 255 I CA -0.385 60.783 61.300 -0.221 0.000 1.282 255 I CB 0.304 38.264 38.000 -0.066 0.000 1.409 255 I HN 0.496 nan 8.210 nan 0.000 0.484 256 D N 5.094 125.264 120.400 -0.383 0.000 2.225 256 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 256 D C 0.553 176.751 176.300 -0.169 0.000 1.052 256 D CA 0.031 53.831 54.000 -0.332 0.000 0.909 256 D CB 1.125 41.820 40.800 -0.175 0.000 1.186 256 D HN 0.553 nan 8.370 nan 0.000 0.431 257 E N 1.024 121.129 120.200 -0.158 0.000 2.883 257 E HA -0.227 4.123 4.350 -0.000 0.000 0.271 257 E C 1.394 177.890 176.600 -0.174 0.000 1.049 257 E CA -0.114 56.195 56.400 -0.153 0.000 0.817 257 E CB -0.536 29.106 29.700 -0.097 0.000 1.407 257 E HN 0.461 nan 8.360 nan 0.000 0.434 258 I N 1.581 122.052 120.570 -0.164 0.000 2.185 258 I HA -0.301 3.869 4.170 -0.000 0.000 0.246 258 I C 2.378 178.375 176.117 -0.199 0.000 1.088 258 I CA 2.488 63.717 61.300 -0.118 0.000 1.347 258 I CB -0.984 37.000 38.000 -0.028 0.000 1.041 258 I HN 0.373 nan 8.210 nan 0.000 0.415 259 D N 0.808 120.913 120.400 -0.492 0.000 2.172 259 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 259 D C 1.787 177.864 176.300 -0.371 0.000 0.999 259 D CA 1.272 54.771 54.000 -0.835 0.000 0.856 259 D CB -0.554 39.295 40.800 -1.584 0.000 0.934 259 D HN 0.206 nan 8.370 nan 0.000 0.453 260 K N 0.821 121.067 120.400 -0.257 0.000 1.987 260 K HA -0.104 4.216 4.320 -0.000 0.000 0.216 260 K C 2.485 179.032 176.600 -0.089 0.000 1.051 260 K CA 1.032 57.234 56.287 -0.141 0.000 0.942 260 K CB -0.910 31.532 32.500 -0.097 0.000 0.722 260 K HN 0.384 nan 8.250 nan 0.000 0.444 261 I N 1.057 121.587 120.570 -0.067 0.000 2.479 261 I HA -0.386 3.784 4.170 -0.000 0.000 0.258 261 I C 2.475 178.579 176.117 -0.021 0.000 1.165 261 I CA 0.524 61.806 61.300 -0.031 0.000 1.422 261 I CB -0.702 37.283 38.000 -0.024 0.000 1.087 261 I HN 0.117 nan 8.210 nan 0.000 0.441 262 C N 0.723 120.007 119.300 -0.026 0.000 3.038 262 C HA -0.172 4.288 4.460 -0.000 0.000 0.289 262 C C 1.527 176.522 174.990 0.008 0.000 1.190 262 C CA 1.679 60.703 59.018 0.011 0.000 1.807 262 C CB -0.732 27.033 27.740 0.041 0.000 1.951 262 C HN 0.654 nan 8.230 nan 0.000 0.414 263 K N -2.472 117.930 120.400 0.005 0.000 2.719 263 K HA 0.414 4.734 4.320 -0.000 0.000 0.281 263 K C 0.007 176.608 176.600 0.001 0.000 0.991 263 K CA -0.573 55.717 56.287 0.005 0.000 0.760 263 K CB 0.601 33.108 32.500 0.012 0.000 1.438 263 K HN 0.158 nan 8.250 nan 0.000 0.350 264 R N -1.441 119.061 120.500 0.003 0.000 4.142 264 R HA 0.410 4.750 4.340 -0.000 0.000 0.135 264 R C 0.701 177.003 176.300 0.004 0.000 0.823 264 R CA 0.747 56.848 56.100 0.001 0.000 0.963 264 R CB 0.681 30.979 30.300 -0.003 0.000 1.474 264 R HN 0.717 nan 8.270 nan 0.000 0.460 265 G N -0.761 108.041 108.800 0.003 0.000 3.226 265 G HA2 0.148 4.108 3.960 -0.000 0.000 0.175 265 G HA3 0.148 4.108 3.960 -0.000 0.000 0.175 265 G C 0.045 174.947 174.900 0.003 0.000 1.509 265 G CA 0.129 45.232 45.100 0.004 0.000 1.046 265 G HN 0.161 nan 8.290 nan 0.000 0.768 266 E N -0.031 120.170 120.200 0.002 0.000 2.475 266 E HA 0.149 4.499 4.350 -0.000 0.000 0.205 266 E C 1.406 178.006 176.600 0.001 0.000 0.822 266 E CA 0.686 57.087 56.400 0.002 0.000 1.240 266 E CB 0.542 30.243 29.700 0.001 0.000 1.222 266 E HN 0.327 nan 8.360 nan 0.000 0.581 267 S N 1.018 116.718 115.700 0.000 0.000 3.548 267 S HA 0.306 4.776 4.470 -0.000 0.000 0.195 267 S C -0.039 174.561 174.600 -0.000 0.000 1.432 267 S CA -0.558 57.642 58.200 -0.000 0.000 1.087 267 S CB -0.492 62.707 63.200 -0.000 0.000 1.337 267 S HN -0.029 nan 8.310 nan 0.000 0.505 268 S N 1.082 116.782 115.700 -0.000 0.000 2.533 268 S HA 0.489 4.959 4.470 -0.000 0.000 0.282 268 S C 1.188 175.788 174.600 -0.000 0.000 1.304 268 S CA -0.385 57.815 58.200 -0.000 0.000 1.063 268 S CB 1.229 64.429 63.200 0.000 0.000 0.881 268 S HN 0.689 nan 8.310 nan 0.000 0.493 269 G N 2.729 111.529 108.800 -0.001 0.000 2.571 269 G HA2 0.199 4.159 3.960 -0.000 0.000 0.225 269 G HA3 0.199 4.159 3.960 -0.000 0.000 0.225 269 G C -1.299 173.601 174.900 0.001 0.000 1.731 269 G CA -0.371 44.729 45.100 -0.000 0.000 0.858 269 G HN 0.621 nan 8.290 nan 0.000 0.611 270 P HA 0.078 nan 4.420 nan 0.000 0.239 270 P C -0.108 177.195 177.300 0.005 0.000 1.184 270 P CA 0.936 64.038 63.100 0.004 0.000 0.760 270 P CB 0.133 31.835 31.700 0.003 0.000 0.884 271 D N -0.300 120.101 120.400 0.003 0.000 2.194 271 D HA -0.081 4.559 4.640 -0.000 0.000 0.204 271 D C 1.864 178.167 176.300 0.004 0.000 0.964 271 D CA 0.584 54.586 54.000 0.002 0.000 0.846 271 D CB -0.566 40.234 40.800 0.000 0.000 0.962 271 D HN -0.016 nan 8.370 nan 0.000 0.490 272 V N 0.425 120.340 119.914 0.003 0.000 2.867 272 V HA -0.152 3.968 4.120 -0.000 0.000 0.260 272 V C 2.150 178.247 176.094 0.005 0.000 1.099 272 V CA 1.681 63.983 62.300 0.003 0.000 1.122 272 V CB -0.416 31.408 31.823 0.002 0.000 0.708 272 V HN 0.260 nan 8.190 nan 0.000 0.490 273 S N -0.894 114.811 115.700 0.009 0.000 2.502 273 S HA 0.084 4.554 4.470 -0.000 0.000 0.215 273 S C 1.977 176.590 174.600 0.021 0.000 1.009 273 S CA -0.052 58.157 58.200 0.015 0.000 0.908 273 S CB 0.093 63.303 63.200 0.017 0.000 0.801 273 S HN 0.514 nan 8.310 nan 0.000 0.505 274 R N 1.137 121.646 120.500 0.016 0.000 2.056 274 R HA 0.090 4.430 4.340 -0.000 0.000 0.227 274 R C 2.260 178.565 176.300 0.008 0.000 1.149 274 R CA 1.483 57.592 56.100 0.016 0.000 0.937 274 R CB -0.435 29.869 30.300 0.007 0.000 0.835 274 R HN 0.495 nan 8.270 nan 0.000 0.430 275 E N -0.137 120.065 120.200 0.002 0.000 2.136 275 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 275 E C 1.960 178.555 176.600 -0.009 0.000 1.019 275 E CA 1.492 57.889 56.400 -0.005 0.000 0.819 275 E CB -0.329 29.369 29.700 -0.003 0.000 0.739 275 E HN 0.510 nan 8.360 nan 0.000 0.458 276 G N 1.299 110.098 108.800 -0.001 0.000 2.529 276 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 276 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 276 G C 1.779 176.673 174.900 -0.010 0.000 1.177 276 G CA 1.504 46.602 45.100 -0.002 0.000 0.773 276 G HN 0.191 nan 8.290 nan 0.000 0.573 277 V N 0.480 120.395 119.914 0.002 0.000 2.250 277 V HA -0.370 3.750 4.120 -0.000 0.000 0.250 277 V C 2.803 178.852 176.094 -0.076 0.000 1.060 277 V CA 2.615 64.904 62.300 -0.019 0.000 1.030 277 V CB -0.992 30.844 31.823 0.021 0.000 0.643 277 V HN 0.458 nan 8.190 nan 0.000 0.445 278 Q N -0.588 119.178 119.800 -0.057 0.000 1.998 278 Q HA -0.287 4.053 4.340 -0.000 0.000 0.209 278 Q C 2.542 178.495 176.000 -0.079 0.000 1.002 278 Q CA 2.414 58.175 55.803 -0.069 0.000 0.858 278 Q CB -0.285 28.428 28.738 -0.041 0.000 0.932 278 Q HN 0.506 nan 8.270 nan 0.000 0.416 279 R N 0.315 120.782 120.500 -0.055 0.000 2.136 279 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 279 R C 1.832 178.093 176.300 -0.066 0.000 1.131 279 R CA 2.130 58.198 56.100 -0.053 0.000 0.937 279 R CB -0.316 29.963 30.300 -0.034 0.000 0.863 279 R HN 0.315 nan 8.270 nan 0.000 0.435 280 D N 0.020 120.383 120.400 -0.060 0.000 2.280 280 D HA -0.175 4.465 4.640 -0.000 0.000 0.206 280 D C 1.700 177.938 176.300 -0.103 0.000 0.988 280 D CA 1.008 54.969 54.000 -0.064 0.000 0.886 280 D CB -0.031 40.740 40.800 -0.048 0.000 0.914 280 D HN 0.265 nan 8.370 nan 0.000 0.473 281 L N -0.680 120.460 121.223 -0.139 0.000 2.068 281 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 281 L C 2.113 178.878 176.870 -0.175 0.000 1.076 281 L CA 0.157 54.891 54.840 -0.178 0.000 0.753 281 L CB -0.330 41.607 42.059 -0.204 0.000 0.910 281 L HN 0.017 nan 8.230 nan 0.000 0.439 282 L N -0.101 121.031 121.223 -0.152 0.000 2.113 282 L HA -0.312 4.028 4.340 -0.000 0.000 0.237 282 L C -0.438 176.346 176.870 -0.144 0.000 1.113 282 L CA 2.684 57.437 54.840 -0.146 0.000 0.837 282 L CB -1.840 40.161 42.059 -0.098 0.000 0.929 282 L HN 0.141 nan 8.230 nan 0.000 0.449 283 P HA -0.245 nan 4.420 nan 0.000 0.216 283 P C 1.805 179.058 177.300 -0.077 0.000 1.167 283 P CA 2.226 65.282 63.100 -0.073 0.000 0.933 283 P CB -0.227 31.445 31.700 -0.048 0.000 0.793 284 L N -2.418 118.763 121.223 -0.070 0.000 2.013 284 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 284 L C 2.352 179.128 176.870 -0.157 0.000 1.073 284 L CA 1.849 56.690 54.840 0.002 0.000 0.753 284 L CB -2.135 39.986 42.059 0.103 0.000 0.890 284 L HN -0.156 nan 8.230 nan 0.000 0.432 285 V N 0.183 119.818 119.914 -0.465 0.000 2.214 285 V HA -0.283 3.837 4.120 -0.000 0.000 0.244 285 V C 2.560 178.467 176.094 -0.312 0.000 1.045 285 V CA 2.111 63.981 62.300 -0.717 0.000 0.993 285 V CB -0.695 30.786 31.823 -0.570 0.000 0.633 285 V HN 0.486 nan 8.190 nan 0.000 0.449 286 E N 0.370 120.449 120.200 -0.202 0.000 2.444 286 E HA -0.023 4.327 4.350 -0.000 0.000 0.204 286 E C 0.945 177.498 176.600 -0.080 0.000 1.049 286 E CA 0.622 56.953 56.400 -0.114 0.000 0.872 286 E CB -0.401 29.244 29.700 -0.091 0.000 0.791 286 E HN 0.749 nan 8.360 nan 0.000 0.548 287 G N 0.323 109.079 108.800 -0.073 0.000 3.307 287 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 287 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 287 G C -0.316 174.557 174.900 -0.045 0.000 0.983 287 G CA -0.485 44.590 45.100 -0.041 0.000 0.804 287 G HN 0.424 nan 8.290 nan 0.000 0.531 288 C N 0.098 119.382 119.300 -0.027 0.000 3.253 288 C HA 0.966 5.426 4.460 -0.000 0.000 0.362 288 C C 0.058 175.041 174.990 -0.012 0.000 1.487 288 C CA 0.165 59.168 59.018 -0.026 0.000 1.179 288 C CB 1.570 29.298 27.740 -0.021 0.000 1.660 288 C HN 2.350 nan 8.230 nan 0.000 0.438 289 T N 0.705 115.254 114.554 -0.009 0.000 2.807 289 T HA 0.713 5.063 4.350 -0.000 0.000 0.279 289 T C -1.014 173.692 174.700 0.011 0.000 0.993 289 T CA -0.255 61.846 62.100 0.001 0.000 0.970 289 T CB 0.888 69.753 68.868 -0.006 0.000 0.950 289 T HN 1.296 nan 8.240 nan 0.000 0.441 290 V N 3.560 123.487 119.914 0.022 0.000 2.823 290 V HA 0.563 4.683 4.120 -0.000 0.000 0.312 290 V C 0.453 176.564 176.094 0.028 0.000 1.072 290 V CA -1.079 61.237 62.300 0.026 0.000 0.937 290 V CB 2.158 34.002 31.823 0.036 0.000 1.013 290 V HN 0.962 nan 8.190 nan 0.000 0.430 291 S N 2.229 117.944 115.700 0.025 0.000 2.505 291 S HA 0.466 4.936 4.470 -0.000 0.000 0.276 291 S C 0.306 174.921 174.600 0.025 0.000 1.274 291 S CA 0.040 58.253 58.200 0.022 0.000 1.053 291 S CB 0.449 63.659 63.200 0.016 0.000 0.919 291 S HN 1.088 nan 8.310 nan 0.000 0.490 292 T N 1.449 116.019 114.554 0.027 0.000 2.844 292 T HA 0.447 4.797 4.350 -0.000 0.000 0.274 292 T C 1.078 175.763 174.700 -0.024 0.000 0.991 292 T CA -0.694 61.422 62.100 0.026 0.000 0.983 292 T CB 0.951 69.863 68.868 0.074 0.000 1.310 292 T HN 0.537 nan 8.240 nan 0.000 0.596 293 K N -0.624 119.719 120.400 -0.096 0.000 2.186 293 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 293 K C 0.815 177.198 176.600 -0.361 0.000 1.052 293 K CA 0.853 56.975 56.287 -0.274 0.000 0.965 293 K CB -0.249 31.987 32.500 -0.440 0.000 0.746 293 K HN 0.779 nan 8.250 nan 0.000 0.457 294 H N -0.434 118.645 119.070 0.016 0.000 2.488 294 H HA 0.373 4.929 4.556 -0.000 0.000 0.294 294 H C 0.366 175.704 175.328 0.016 0.000 1.088 294 H CA 0.070 56.127 56.048 0.015 0.000 1.086 294 H CB 1.094 30.865 29.762 0.016 0.000 1.569 294 H HN 0.509 nan 8.280 nan 0.000 0.548 295 G N 0.172 109.019 108.800 0.077 0.000 2.295 295 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.195 295 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.195 295 G C -0.929 174.001 174.900 0.049 0.000 1.269 295 G CA -0.553 44.582 45.100 0.059 0.000 1.170 295 G HN 0.114 nan 8.290 nan 0.000 0.511 296 M N 0.479 120.106 119.600 0.045 0.000 2.724 296 M HA 0.795 5.275 4.480 -0.000 0.000 0.310 296 M C 0.280 176.605 176.300 0.040 0.000 1.217 296 M CA -1.033 54.289 55.300 0.036 0.000 0.894 296 M CB 1.732 34.346 32.600 0.024 0.000 1.719 296 M HN 1.377 nan 8.290 nan 0.000 0.479 297 V N -1.426 118.510 119.914 0.036 0.000 3.167 297 V HA 0.710 4.830 4.120 -0.000 0.000 0.310 297 V C -1.051 175.056 176.094 0.022 0.000 1.207 297 V CA -1.031 61.291 62.300 0.037 0.000 1.059 297 V CB 2.436 34.289 31.823 0.049 0.000 1.079 297 V HN 0.793 nan 8.190 nan 0.000 0.446 298 K N 1.797 122.208 120.400 0.018 0.000 2.572 298 K HA 0.378 4.698 4.320 -0.000 0.000 0.244 298 K C 0.474 177.082 176.600 0.013 0.000 0.965 298 K CA 0.233 56.514 56.287 -0.010 0.000 0.943 298 K CB 1.549 34.013 32.500 -0.060 0.000 1.154 298 K HN 1.077 nan 8.250 nan 0.000 0.447 299 T N -1.338 113.244 114.554 0.047 0.000 3.361 299 T HA -0.043 4.307 4.350 -0.000 0.000 0.251 299 T C 0.640 175.425 174.700 0.142 0.000 1.131 299 T CA 0.464 62.647 62.100 0.138 0.000 1.001 299 T CB -0.258 68.731 68.868 0.202 0.000 1.003 299 T HN 0.364 nan 8.240 nan 0.000 0.558 300 D N 0.705 121.104 120.400 -0.002 0.000 2.146 300 D HA -0.121 4.519 4.640 -0.000 0.000 0.209 300 D C 1.589 177.899 176.300 0.016 0.000 0.973 300 D CA 0.777 54.737 54.000 -0.066 0.000 0.860 300 D CB -0.745 39.891 40.800 -0.273 0.000 1.015 300 D HN 0.383 nan 8.370 nan 0.000 0.465 301 H N 0.200 119.303 119.070 0.055 0.000 2.562 301 H HA 0.137 4.693 4.556 -0.000 0.000 0.272 301 H C 0.430 175.787 175.328 0.050 0.000 1.019 301 H CA -0.016 56.055 56.048 0.039 0.000 1.160 301 H CB -0.305 29.452 29.762 -0.008 0.000 1.334 301 H HN 0.208 nan 8.280 nan 0.000 0.611 302 I N 1.354 122.040 120.570 0.195 0.000 2.720 302 I HA -0.000 4.170 4.170 -0.000 0.000 0.287 302 I C 0.580 176.784 176.117 0.145 0.000 1.090 302 I CA -0.746 60.610 61.300 0.094 0.000 1.384 302 I CB 1.046 39.041 38.000 -0.009 0.000 1.420 302 I HN -0.015 nan 8.210 nan 0.000 0.575 303 L N 5.526 126.733 121.223 -0.027 0.000 2.322 303 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 303 L C -1.372 175.466 176.870 -0.053 0.000 1.014 303 L CA 0.079 54.976 54.840 0.096 0.000 0.815 303 L CB 1.202 43.312 42.059 0.084 0.000 1.247 303 L HN 0.216 nan 8.230 nan 0.000 0.421 304 F N 4.958 124.977 119.950 0.114 0.000 2.556 304 F HA 0.678 5.205 4.527 -0.000 0.000 0.327 304 F C -0.076 175.823 175.800 0.167 0.000 1.059 304 F CA -0.748 57.333 58.000 0.134 0.000 0.953 304 F CB 1.825 40.872 39.000 0.077 0.000 1.227 304 F HN 0.262 nan 8.300 nan 0.000 0.478 305 I N 2.070 122.886 120.570 0.411 0.000 2.542 305 I HA 0.439 4.609 4.170 -0.000 0.000 0.278 305 I C -0.184 176.096 176.117 0.271 0.000 1.069 305 I CA -0.771 60.769 61.300 0.400 0.000 1.100 305 I CB 1.055 39.397 38.000 0.570 0.000 1.204 305 I HN 0.682 nan 8.210 nan 0.000 0.470 306 A N 4.096 127.012 122.820 0.161 0.000 2.409 306 A HA 0.687 5.007 4.320 -0.000 0.000 0.246 306 A C 0.322 177.909 177.584 0.006 0.000 1.099 306 A CA 0.236 52.296 52.037 0.037 0.000 0.789 306 A CB 0.876 19.932 19.000 0.093 0.000 1.053 306 A HN 0.727 nan 8.150 nan 0.000 0.503 307 S N -1.521 114.131 115.700 -0.079 0.000 2.661 307 S HA 0.711 5.181 4.470 -0.000 0.000 0.268 307 S C -0.497 174.105 174.600 0.004 0.000 1.162 307 S CA 0.753 58.941 58.200 -0.020 0.000 0.817 307 S CB 0.884 63.921 63.200 -0.270 0.000 1.141 307 S HN 2.868 nan 8.310 nan 0.000 0.477 308 G N 0.317 109.151 108.800 0.057 0.000 2.906 308 G HA2 0.503 4.463 3.960 -0.000 0.000 0.686 308 G HA3 0.503 4.463 3.960 -0.000 0.000 0.686 308 G C -0.251 174.695 174.900 0.076 0.000 1.170 308 G CA -0.188 44.897 45.100 -0.024 0.000 0.775 308 G HN 1.606 nan 8.290 nan 0.000 0.630 309 A N 1.875 124.728 122.820 0.055 0.000 2.366 309 A HA 0.741 5.061 4.320 -0.000 0.000 0.272 309 A C 0.011 177.661 177.584 0.111 0.000 1.135 309 A CA -0.230 51.902 52.037 0.159 0.000 0.804 309 A CB 0.157 19.208 19.000 0.085 0.000 1.064 309 A HN 1.060 nan 8.150 nan 0.000 0.499 310 F N 2.001 121.951 119.950 0.000 0.000 2.375 310 F HA 0.278 4.805 4.527 -0.000 0.000 0.362 310 F C 1.254 177.051 175.800 -0.004 0.000 1.129 310 F CA 0.016 58.014 58.000 -0.003 0.000 1.154 310 F CB 1.415 40.413 39.000 -0.002 0.000 1.205 310 F HN 0.801 nan 8.300 nan 0.000 0.513 311 Q N 2.323 122.177 119.800 0.090 0.000 2.514 311 Q HA 0.104 4.444 4.340 -0.000 0.000 0.208 311 Q C 2.146 178.173 176.000 0.046 0.000 0.938 311 Q CA 0.527 56.364 55.803 0.057 0.000 0.892 311 Q CB 0.202 28.950 28.738 0.016 0.000 1.050 311 Q HN 0.771 nan 8.270 nan 0.000 0.595 312 I N -1.060 119.520 120.570 0.017 0.000 2.252 312 I HA 0.088 4.258 4.170 -0.000 0.000 0.245 312 I C 1.133 177.275 176.117 0.041 0.000 1.102 312 I CA 0.836 62.143 61.300 0.013 0.000 1.385 312 I CB -0.294 37.698 38.000 -0.015 0.000 1.064 312 I HN 0.056 nan 8.210 nan 0.000 0.414 313 A N 1.067 123.928 122.820 0.070 0.000 2.793 313 A HA 0.853 5.173 4.320 -0.000 0.000 0.236 313 A C -0.751 177.014 177.584 0.301 0.000 1.242 313 A CA -0.675 51.444 52.037 0.138 0.000 0.885 313 A CB 1.118 20.186 19.000 0.113 0.000 1.436 313 A HN 0.241 nan 8.150 nan 0.000 0.483 314 K N -1.812 118.805 120.400 0.362 0.000 2.575 314 K HA 0.369 4.689 4.320 -0.000 0.000 0.279 314 K C -2.952 173.681 176.600 0.054 0.000 0.969 314 K CA -1.637 54.794 56.287 0.239 0.000 0.868 314 K CB 0.754 33.272 32.500 0.030 0.000 1.457 314 K HN 0.122 nan 8.250 nan 0.000 0.426 315 P HA -0.276 nan 4.420 nan 0.000 0.217 315 P C 1.564 178.809 177.300 -0.092 0.000 1.148 315 P CA 1.946 64.834 63.100 -0.354 0.000 0.834 315 P CB 0.193 31.599 31.700 -0.489 0.000 0.783 316 S N -0.648 115.005 115.700 -0.079 0.000 2.368 316 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 316 S C 1.745 176.350 174.600 0.008 0.000 1.030 316 S CA 1.712 59.893 58.200 -0.031 0.000 0.999 316 S CB -1.123 62.060 63.200 -0.028 0.000 0.844 316 S HN 0.048 nan 8.310 nan 0.000 0.459 317 D N 1.104 121.529 120.400 0.042 0.000 2.178 317 D HA 0.024 4.664 4.640 -0.000 0.000 0.201 317 D C 1.028 177.361 176.300 0.055 0.000 0.980 317 D CA 0.252 54.284 54.000 0.054 0.000 0.842 317 D CB -0.652 40.196 40.800 0.080 0.000 0.948 317 D HN 0.435 nan 8.370 nan 0.000 0.472 318 L N 1.098 122.369 121.223 0.079 0.000 2.536 318 L HA -0.114 4.226 4.340 -0.000 0.000 0.294 318 L C 0.302 177.187 176.870 0.026 0.000 1.257 318 L CA -0.328 54.553 54.840 0.069 0.000 0.850 318 L CB 0.494 42.604 42.059 0.085 0.000 1.105 318 L HN -0.077 nan 8.230 nan 0.000 0.517 319 I N 7.622 128.199 120.570 0.013 0.000 2.671 319 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 319 I C -1.524 174.585 176.117 -0.012 0.000 1.148 319 I CA -1.586 59.712 61.300 -0.004 0.000 1.386 319 I CB 0.362 38.353 38.000 -0.015 0.000 1.406 319 I HN 0.499 nan 8.210 nan 0.000 0.540 320 P HA -0.306 nan 4.420 nan 0.000 0.216 320 P C 1.274 178.560 177.300 -0.024 0.000 1.151 320 P CA 1.939 65.028 63.100 -0.017 0.000 0.953 320 P CB 0.103 31.794 31.700 -0.015 0.000 0.789 321 E N -0.888 119.296 120.200 -0.027 0.000 2.113 321 E HA -0.229 4.121 4.350 -0.000 0.000 0.210 321 E C 2.009 178.582 176.600 -0.047 0.000 1.040 321 E CA 1.545 57.923 56.400 -0.036 0.000 0.847 321 E CB -1.272 28.405 29.700 -0.039 0.000 0.755 321 E HN 0.186 nan 8.360 nan 0.000 0.459 322 L N 0.617 121.811 121.223 -0.050 0.000 2.044 322 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 322 L C 2.365 179.208 176.870 -0.044 0.000 1.075 322 L CA 1.970 56.772 54.840 -0.063 0.000 0.747 322 L CB -0.649 41.372 42.059 -0.063 0.000 0.903 322 L HN 0.192 nan 8.230 nan 0.000 0.435 323 Q N -0.664 119.120 119.800 -0.028 0.000 2.308 323 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 323 Q C 1.751 177.734 176.000 -0.028 0.000 0.985 323 Q CA 1.734 57.524 55.803 -0.022 0.000 0.881 323 Q CB -0.428 28.299 28.738 -0.019 0.000 0.917 323 Q HN 0.623 nan 8.270 nan 0.000 0.443 324 G N -0.432 108.350 108.800 -0.030 0.000 2.662 324 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.212 324 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.212 324 G C 1.286 176.169 174.900 -0.029 0.000 1.141 324 G CA -0.252 44.831 45.100 -0.027 0.000 0.797 324 G HN 0.082 nan 8.290 nan 0.000 0.531 325 R N -0.401 120.074 120.500 -0.042 0.000 2.317 325 R HA 0.261 4.601 4.340 -0.000 0.000 0.208 325 R C -0.235 176.045 176.300 -0.034 0.000 0.914 325 R CA -0.183 55.887 56.100 -0.050 0.000 1.060 325 R CB 0.024 30.267 30.300 -0.095 0.000 1.015 325 R HN 0.176 nan 8.270 nan 0.000 0.498 326 L N 2.872 124.082 121.223 -0.021 0.000 2.506 326 L HA 0.299 4.639 4.340 -0.000 0.000 0.247 326 L C -1.707 175.165 176.870 0.004 0.000 1.141 326 L CA -2.313 52.529 54.840 0.003 0.000 0.973 326 L CB 1.316 43.377 42.059 0.004 0.000 1.319 326 L HN -0.095 nan 8.230 nan 0.000 0.455 327 P HA -0.061 nan 4.420 nan 0.000 0.197 327 P C 0.649 177.957 177.300 0.012 0.000 1.043 327 P CA 0.411 63.517 63.100 0.009 0.000 0.815 327 P CB 0.162 31.872 31.700 0.017 0.000 0.666 328 I N 1.261 121.846 120.570 0.026 0.000 3.311 328 I HA -0.152 4.018 4.170 -0.000 0.000 0.304 328 I C 0.856 176.989 176.117 0.026 0.000 1.245 328 I CA 0.908 62.225 61.300 0.028 0.000 1.369 328 I CB -0.887 37.139 38.000 0.043 0.000 1.433 328 I HN -0.018 nan 8.210 nan 0.000 0.525 329 R N 5.908 126.412 120.500 0.006 0.000 2.255 329 R HA 0.629 4.969 4.340 -0.000 0.000 0.326 329 R C -0.735 175.566 176.300 0.003 0.000 0.986 329 R CA -0.862 55.234 56.100 -0.007 0.000 0.847 329 R CB 2.132 32.407 30.300 -0.043 0.000 1.111 329 R HN 0.465 nan 8.270 nan 0.000 0.452 330 V N 2.715 122.640 119.914 0.018 0.000 2.540 330 V HA 0.254 4.374 4.120 -0.000 0.000 0.302 330 V C -0.376 175.735 176.094 0.027 0.000 1.035 330 V CA -0.709 61.606 62.300 0.025 0.000 0.873 330 V CB 2.015 33.861 31.823 0.040 0.000 0.992 330 V HN 0.708 nan 8.190 nan 0.000 0.428 331 E N 4.806 125.016 120.200 0.018 0.000 2.194 331 E HA 0.347 4.697 4.350 -0.000 0.000 0.284 331 E C -1.369 175.250 176.600 0.031 0.000 1.035 331 E CA -0.691 55.722 56.400 0.021 0.000 0.836 331 E CB 1.425 31.131 29.700 0.010 0.000 1.070 331 E HN 0.447 nan 8.360 nan 0.000 0.401 332 L N 4.430 125.679 121.223 0.044 0.000 2.257 332 L HA 0.171 4.511 4.340 -0.000 0.000 0.290 332 L C -0.118 176.771 176.870 0.031 0.000 1.044 332 L CA -0.259 54.605 54.840 0.040 0.000 0.810 332 L CB 1.104 43.198 42.059 0.057 0.000 1.193 332 L HN 0.483 nan 8.230 nan 0.000 0.425 333 Q N 1.589 121.402 119.800 0.022 0.000 2.492 333 Q HA 0.570 4.910 4.340 -0.000 0.000 0.238 333 Q C 0.562 176.568 176.000 0.010 0.000 1.045 333 Q CA -0.010 55.805 55.803 0.020 0.000 0.934 333 Q CB 0.347 29.099 28.738 0.022 0.000 1.276 333 Q HN 0.723 nan 8.270 nan 0.000 0.521 334 A N 0.531 123.356 122.820 0.009 0.000 2.404 334 A HA 0.418 4.737 4.320 -0.000 0.000 0.258 334 A C -0.581 176.990 177.584 -0.021 0.000 1.644 334 A CA 0.005 52.032 52.037 -0.017 0.000 0.847 334 A CB -0.026 18.950 19.000 -0.040 0.000 1.473 334 A HN 0.496 nan 8.150 nan 0.000 0.602 335 L N -2.028 119.174 121.223 -0.035 0.000 2.410 335 L HA 0.533 4.873 4.340 -0.000 0.000 0.270 335 L C 0.130 177.108 176.870 0.179 0.000 0.983 335 L CA 0.208 54.998 54.840 -0.082 0.000 0.822 335 L CB 2.059 43.918 42.059 -0.333 0.000 1.285 335 L HN 0.768 nan 8.230 nan 0.000 0.409 336 T N 0.511 115.189 114.554 0.206 0.000 2.943 336 T HA 0.325 4.675 4.350 -0.000 0.000 0.284 336 T C 1.304 176.210 174.700 0.344 0.000 1.015 336 T CA 0.321 62.690 62.100 0.449 0.000 1.042 336 T CB 1.098 70.067 68.868 0.167 0.000 1.055 336 T HN 0.851 nan 8.240 nan 0.000 0.500 337 T N 1.475 116.180 114.554 0.252 0.000 2.649 337 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 337 T C 2.212 177.032 174.700 0.199 0.000 1.036 337 T CA 2.050 64.304 62.100 0.256 0.000 1.157 337 T CB -0.987 67.795 68.868 -0.144 0.000 0.861 337 T HN 0.603 nan 8.240 nan 0.000 0.445 338 S N 1.979 117.712 115.700 0.055 0.000 2.359 338 S HA -0.265 4.205 4.470 -0.000 0.000 0.222 338 S C 1.794 176.418 174.600 0.040 0.000 1.038 338 S CA 1.957 60.176 58.200 0.032 0.000 1.051 338 S CB -0.991 62.206 63.200 -0.005 0.000 0.944 338 S HN 0.527 nan 8.310 nan 0.000 0.433 339 D N 0.796 121.190 120.400 -0.011 0.000 2.154 339 D HA -0.153 4.487 4.640 -0.000 0.000 0.190 339 D C 1.638 177.886 176.300 -0.086 0.000 1.003 339 D CA 1.557 55.498 54.000 -0.099 0.000 0.849 339 D CB -0.802 39.864 40.800 -0.224 0.000 0.942 339 D HN 0.484 nan 8.370 nan 0.000 0.446 340 F N 1.546 121.529 119.950 0.055 0.000 2.025 340 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 340 F C 2.492 178.299 175.800 0.012 0.000 1.132 340 F CA 1.347 59.370 58.000 0.039 0.000 1.191 340 F CB -0.848 38.188 39.000 0.061 0.000 0.963 340 F HN 0.008 nan 8.300 nan 0.000 0.481 341 E N 0.149 120.480 120.200 0.218 0.000 2.164 341 E HA -0.295 4.055 4.350 -0.000 0.000 0.206 341 E C 2.207 178.844 176.600 0.062 0.000 1.032 341 E CA 1.769 58.230 56.400 0.102 0.000 0.832 341 E CB -0.412 29.329 29.700 0.067 0.000 0.742 341 E HN 0.517 nan 8.360 nan 0.000 0.460 342 R N 0.784 121.314 120.500 0.050 0.000 2.064 342 R HA -0.107 4.233 4.340 -0.000 0.000 0.228 342 R C 2.763 179.079 176.300 0.027 0.000 1.144 342 R CA 1.771 57.885 56.100 0.023 0.000 0.932 342 R CB -0.995 29.306 30.300 0.003 0.000 0.833 342 R HN 0.290 nan 8.270 nan 0.000 0.429 343 I N 0.437 121.028 120.570 0.034 0.000 2.399 343 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 343 I C 2.100 178.251 176.117 0.057 0.000 1.146 343 I CA 1.020 62.347 61.300 0.046 0.000 1.412 343 I CB -0.500 37.532 38.000 0.053 0.000 1.076 343 I HN 0.025 nan 8.210 nan 0.000 0.432 344 L N 1.240 122.501 121.223 0.064 0.000 2.362 344 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 344 L C 2.091 178.937 176.870 -0.039 0.000 1.134 344 L CA 2.289 57.138 54.840 0.015 0.000 0.807 344 L CB -0.990 41.080 42.059 0.019 0.000 0.927 344 L HN 0.703 nan 8.230 nan 0.000 0.447 345 T N -7.697 106.851 114.554 -0.009 0.000 3.550 345 T HA 0.028 4.378 4.350 -0.000 0.000 0.261 345 T C 1.522 176.226 174.700 0.006 0.000 0.990 345 T CA 0.046 62.138 62.100 -0.013 0.000 1.142 345 T CB -0.141 68.724 68.868 -0.006 0.000 1.173 345 T HN -0.051 nan 8.240 nan 0.000 0.405 346 E N 2.209 122.415 120.200 0.009 0.000 2.181 346 E HA -0.127 4.223 4.350 -0.000 0.000 0.225 346 E C -1.456 175.152 176.600 0.014 0.000 1.073 346 E CA 1.725 58.130 56.400 0.009 0.000 0.916 346 E CB -1.704 27.997 29.700 0.003 0.000 0.793 346 E HN 0.394 nan 8.360 nan 0.000 0.472 347 P HA -0.128 nan 4.420 nan 0.000 0.268 347 P C -0.044 177.278 177.300 0.037 0.000 1.171 347 P CA 0.858 63.979 63.100 0.036 0.000 0.761 347 P CB 0.113 31.838 31.700 0.041 0.000 0.786 348 N N 1.534 120.264 118.700 0.050 0.000 2.272 348 N HA -0.068 4.672 4.740 -0.000 0.000 0.185 348 N C 0.532 176.066 175.510 0.040 0.000 1.014 348 N CA 1.386 54.464 53.050 0.047 0.000 0.870 348 N CB -0.226 38.300 38.487 0.064 0.000 0.975 348 N HN 0.421 nan 8.380 nan 0.000 0.433 349 A N 0.305 123.149 122.820 0.040 0.000 3.370 349 A HA 0.419 4.739 4.320 -0.000 0.000 0.295 349 A C 0.187 177.793 177.584 0.036 0.000 1.030 349 A CA -0.702 51.357 52.037 0.037 0.000 0.883 349 A CB -0.107 18.913 19.000 0.033 0.000 1.191 349 A HN 0.205 nan 8.150 nan 0.000 0.507 350 S N 0.593 116.311 115.700 0.031 0.000 2.560 350 S HA 0.120 4.590 4.470 -0.000 0.000 0.276 350 S C 1.530 176.141 174.600 0.019 0.000 1.350 350 S CA 0.372 58.584 58.200 0.019 0.000 1.024 350 S CB -0.044 63.152 63.200 -0.006 0.000 0.864 350 S HN 1.358 nan 8.310 nan 0.000 0.536 351 I N 0.325 120.902 120.570 0.011 0.000 2.394 351 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 351 I C 2.205 178.318 176.117 -0.007 0.000 1.136 351 I CA 1.853 63.165 61.300 0.021 0.000 1.425 351 I CB -1.156 36.871 38.000 0.044 0.000 1.079 351 I HN 0.676 nan 8.210 nan 0.000 0.425 352 T N 1.078 115.537 114.554 -0.159 0.000 2.821 352 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 352 T C 1.878 176.589 174.700 0.018 0.000 1.046 352 T CA 1.545 63.396 62.100 -0.416 0.000 1.139 352 T CB -0.197 68.158 68.868 -0.855 0.000 0.871 352 T HN 0.255 nan 8.240 nan 0.000 0.454 353 V N 2.885 122.829 119.914 0.050 0.000 2.231 353 V HA -0.290 3.830 4.120 -0.000 0.000 0.239 353 V C 2.733 178.928 176.094 0.169 0.000 1.035 353 V CA 2.350 64.725 62.300 0.126 0.000 0.989 353 V CB -1.120 30.747 31.823 0.074 0.000 0.636 353 V HN 0.650 nan 8.190 nan 0.000 0.457 354 Q N -0.517 119.359 119.800 0.125 0.000 2.224 354 Q HA -0.353 3.987 4.340 -0.000 0.000 0.213 354 Q C 2.105 178.194 176.000 0.148 0.000 0.998 354 Q CA 2.822 58.691 55.803 0.111 0.000 0.895 354 Q CB -0.985 27.804 28.738 0.086 0.000 0.926 354 Q HN 0.760 nan 8.270 nan 0.000 0.417 355 Y N 2.297 122.671 120.300 0.122 0.000 2.089 355 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 355 Y C 2.703 178.718 175.900 0.192 0.000 1.139 355 Y CA 2.351 60.557 58.100 0.177 0.000 1.123 355 Y CB -0.140 38.482 38.460 0.270 0.000 0.980 355 Y HN 0.176 nan 8.280 nan 0.000 0.493 356 K N 0.393 121.041 120.400 0.413 0.000 2.113 356 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 356 K C 2.029 178.663 176.600 0.057 0.000 1.047 356 K CA 1.628 58.049 56.287 0.224 0.000 0.928 356 K CB -0.523 32.149 32.500 0.288 0.000 0.716 356 K HN 0.357 nan 8.250 nan 0.000 0.446 357 A N 0.832 123.692 122.820 0.067 0.000 1.930 357 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 357 A C 2.163 179.726 177.584 -0.035 0.000 1.175 357 A CA 1.330 53.379 52.037 0.019 0.000 0.627 357 A CB -0.572 18.449 19.000 0.036 0.000 0.815 357 A HN 0.402 nan 8.150 nan 0.000 0.443 358 L N -1.171 120.003 121.223 -0.083 0.000 2.056 358 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 358 L C 2.572 179.336 176.870 -0.177 0.000 1.078 358 L CA 1.144 55.900 54.840 -0.139 0.000 0.749 358 L CB -0.189 41.747 42.059 -0.206 0.000 0.901 358 L HN 0.272 nan 8.230 nan 0.000 0.433 359 M N -0.900 118.554 119.600 -0.244 0.000 2.159 359 M HA -0.144 4.335 4.480 -0.000 0.000 0.263 359 M C 2.481 178.720 176.300 -0.102 0.000 1.063 359 M CA 1.690 56.875 55.300 -0.192 0.000 1.110 359 M CB -1.503 30.988 32.600 -0.182 0.000 1.374 359 M HN 0.371 nan 8.290 nan 0.000 0.411 360 A N 0.673 123.449 122.820 -0.074 0.000 1.873 360 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 360 A C 2.303 179.861 177.584 -0.044 0.000 1.193 360 A CA 3.172 55.182 52.037 -0.045 0.000 0.629 360 A CB -1.484 17.501 19.000 -0.024 0.000 0.826 360 A HN 0.610 nan 8.150 nan 0.000 0.447 361 T N -2.235 112.292 114.554 -0.046 0.000 2.721 361 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 361 T C 1.345 176.019 174.700 -0.042 0.000 1.038 361 T CA 1.705 63.782 62.100 -0.039 0.000 1.145 361 T CB -0.437 68.407 68.868 -0.039 0.000 0.858 361 T HN 0.405 nan 8.240 nan 0.000 0.459 362 E N 1.140 121.308 120.200 -0.054 0.000 2.438 362 E HA 0.171 4.521 4.350 -0.000 0.000 0.192 362 E C 1.787 178.359 176.600 -0.047 0.000 1.110 362 E CA 0.567 56.935 56.400 -0.053 0.000 0.893 362 E CB -0.602 29.059 29.700 -0.065 0.000 0.990 362 E HN 0.819 nan 8.360 nan 0.000 0.490 363 G N 0.283 109.059 108.800 -0.041 0.000 2.328 363 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.256 363 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.256 363 G C 0.657 175.535 174.900 -0.038 0.000 1.014 363 G CA 0.641 45.720 45.100 -0.035 0.000 0.620 363 G HN 0.237 nan 8.290 nan 0.000 0.530 364 V N 1.357 121.244 119.914 -0.045 0.000 2.775 364 V HA 0.499 4.619 4.120 -0.000 0.000 0.299 364 V C 0.446 176.510 176.094 -0.051 0.000 1.062 364 V CA -0.552 61.720 62.300 -0.047 0.000 1.063 364 V CB 1.675 33.469 31.823 -0.049 0.000 0.994 364 V HN 0.422 nan 8.190 nan 0.000 0.483 365 N N 2.822 121.490 118.700 -0.053 0.000 2.296 365 N HA 0.576 5.316 4.740 -0.000 0.000 0.294 365 N C -0.973 174.487 175.510 -0.083 0.000 1.033 365 N CA -0.433 52.583 53.050 -0.056 0.000 0.839 365 N CB 2.204 40.665 38.487 -0.042 0.000 1.395 365 N HN 0.727 nan 8.380 nan 0.000 0.479 366 I N -0.749 119.758 120.570 -0.106 0.000 2.947 366 I HA 0.597 4.767 4.170 -0.000 0.000 0.314 366 I C -0.308 175.688 176.117 -0.202 0.000 1.028 366 I CA -0.752 60.432 61.300 -0.194 0.000 1.077 366 I CB 1.726 39.555 38.000 -0.285 0.000 1.274 366 I HN 0.108 nan 8.210 nan 0.000 0.485 367 E N 2.573 122.613 120.200 -0.266 0.000 2.279 367 E HA 0.393 4.743 4.350 -0.000 0.000 0.252 367 E C -1.631 174.865 176.600 -0.173 0.000 0.894 367 E CA -0.430 55.875 56.400 -0.158 0.000 0.785 367 E CB 1.476 31.120 29.700 -0.093 0.000 1.237 367 E HN 0.480 nan 8.360 nan 0.000 0.418 368 F N 2.349 122.322 119.950 0.038 0.000 2.423 368 F HA 0.080 4.607 4.527 -0.000 0.000 0.356 368 F C 1.390 177.209 175.800 0.031 0.000 1.170 368 F CA -0.378 57.648 58.000 0.043 0.000 1.163 368 F CB 0.637 39.671 39.000 0.057 0.000 1.318 368 F HN 0.100 nan 8.300 nan 0.000 0.569 369 T N -0.934 113.733 114.554 0.190 0.000 2.913 369 T HA 0.072 4.422 4.350 -0.000 0.000 0.297 369 T C 0.985 175.754 174.700 0.115 0.000 1.029 369 T CA -0.912 61.258 62.100 0.117 0.000 1.104 369 T CB 1.059 69.969 68.868 0.070 0.000 0.964 369 T HN 0.414 nan 8.240 nan 0.000 0.532 370 D N 1.757 122.204 120.400 0.078 0.000 2.263 370 D HA -0.055 4.584 4.640 -0.000 0.000 0.208 370 D C 2.159 178.488 176.300 0.050 0.000 0.971 370 D CA 1.149 55.184 54.000 0.058 0.000 0.867 370 D CB -0.184 40.640 40.800 0.040 0.000 0.929 370 D HN 0.678 nan 8.370 nan 0.000 0.492 371 S N -0.427 115.304 115.700 0.052 0.000 2.387 371 S HA -0.031 4.439 4.470 -0.000 0.000 0.226 371 S C 2.106 176.736 174.600 0.050 0.000 1.026 371 S CA 1.002 59.227 58.200 0.042 0.000 0.972 371 S CB -0.415 62.807 63.200 0.038 0.000 0.814 371 S HN 0.381 nan 8.310 nan 0.000 0.477 372 G N 1.565 110.412 108.800 0.079 0.000 2.408 372 G HA2 0.027 3.987 3.960 -0.000 0.000 0.213 372 G HA3 0.027 3.987 3.960 -0.000 0.000 0.213 372 G C 1.331 176.276 174.900 0.076 0.000 1.177 372 G CA 0.219 45.374 45.100 0.092 0.000 0.802 372 G HN 0.405 nan 8.290 nan 0.000 0.533 373 I N 0.809 121.431 120.570 0.086 0.000 2.113 373 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 373 I C 2.717 178.847 176.117 0.023 0.000 1.057 373 I CA 1.974 63.298 61.300 0.040 0.000 1.314 373 I CB -0.062 37.957 38.000 0.031 0.000 1.022 373 I HN 0.129 nan 8.210 nan 0.000 0.408 374 K N 0.211 120.626 120.400 0.025 0.000 2.044 374 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 374 K C 2.283 178.881 176.600 -0.003 0.000 1.049 374 K CA 1.495 57.789 56.287 0.012 0.000 0.927 374 K CB -0.031 32.472 32.500 0.005 0.000 0.713 374 K HN 0.087 nan 8.250 nan 0.000 0.443 375 R N 0.353 120.854 120.500 0.000 0.000 2.081 375 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 375 R C 2.214 178.497 176.300 -0.029 0.000 1.131 375 R CA 1.098 57.190 56.100 -0.014 0.000 0.960 375 R CB -0.796 29.500 30.300 -0.007 0.000 0.856 375 R HN 0.283 nan 8.270 nan 0.000 0.436 376 I N 1.065 121.622 120.570 -0.022 0.000 2.069 376 I HA -0.277 3.893 4.170 -0.000 0.000 0.237 376 I C 2.510 178.571 176.117 -0.093 0.000 1.053 376 I CA 1.719 62.988 61.300 -0.051 0.000 1.311 376 I CB -1.691 36.281 38.000 -0.046 0.000 1.030 376 I HN 0.085 nan 8.210 nan 0.000 0.398 377 A N 0.084 122.867 122.820 -0.062 0.000 1.883 377 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 377 A C 2.319 179.845 177.584 -0.097 0.000 1.186 377 A CA 2.007 53.995 52.037 -0.081 0.000 0.624 377 A CB -0.913 18.145 19.000 0.097 0.000 0.822 377 A HN 0.500 nan 8.150 nan 0.000 0.444 378 E N -0.611 119.562 120.200 -0.045 0.000 2.219 378 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 378 E C 2.044 178.633 176.600 -0.017 0.000 0.998 378 E CA 1.105 57.481 56.400 -0.041 0.000 0.818 378 E CB -0.208 29.466 29.700 -0.043 0.000 0.741 378 E HN 0.658 nan 8.360 nan 0.000 0.477 379 A N 0.728 123.514 122.820 -0.058 0.000 1.843 379 A HA 0.108 4.428 4.320 -0.000 0.000 0.213 379 A C 2.384 179.907 177.584 -0.102 0.000 1.239 379 A CA 1.176 53.179 52.037 -0.056 0.000 0.606 379 A CB -1.130 17.828 19.000 -0.071 0.000 0.903 379 A HN 0.319 nan 8.150 nan 0.000 0.455 380 A N -0.612 122.058 122.820 -0.249 0.000 1.906 380 A HA -0.334 3.986 4.320 -0.000 0.000 0.222 380 A C 2.114 179.489 177.584 -0.349 0.000 1.282 380 A CA 2.333 54.110 52.037 -0.432 0.000 0.675 380 A CB -1.510 16.944 19.000 -0.909 0.000 0.838 380 A HN 0.958 nan 8.150 nan 0.000 0.469 381 W N 0.221 121.209 121.300 -0.520 0.000 2.311 381 W HA -0.235 4.425 4.660 -0.000 0.000 0.326 381 W C 2.149 178.624 176.519 -0.073 0.000 1.239 381 W CA 2.443 59.696 57.345 -0.153 0.000 1.258 381 W CB -0.991 28.475 29.460 0.011 0.000 1.165 381 W HN 0.477 nan 8.180 nan 0.000 0.466 382 Q N 0.450 120.497 119.800 0.411 0.000 2.142 382 Q HA -0.237 4.103 4.340 -0.000 0.000 0.213 382 Q C 2.189 178.212 176.000 0.037 0.000 1.004 382 Q CA 3.003 58.966 55.803 0.266 0.000 0.883 382 Q CB -1.100 27.738 28.738 0.166 0.000 0.939 382 Q HN 0.392 nan 8.270 nan 0.000 0.413 383 V N 1.124 121.027 119.914 -0.020 0.000 2.237 383 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 383 V C 2.104 178.138 176.094 -0.099 0.000 1.046 383 V CA 2.069 64.336 62.300 -0.056 0.000 1.007 383 V CB -1.018 30.764 31.823 -0.069 0.000 0.638 383 V HN 0.254 nan 8.190 nan 0.000 0.445 384 N N 0.020 118.633 118.700 -0.144 0.000 2.091 384 N HA -0.230 4.510 4.740 -0.000 0.000 0.193 384 N C 1.917 177.291 175.510 -0.228 0.000 1.021 384 N CA 1.970 54.916 53.050 -0.174 0.000 0.862 384 N CB -0.346 38.034 38.487 -0.179 0.000 1.018 384 N HN 0.627 nan 8.380 nan 0.000 0.429 385 E N 0.493 120.505 120.200 -0.313 0.000 2.028 385 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 385 E C 2.039 178.568 176.600 -0.118 0.000 0.984 385 E CA 1.429 57.667 56.400 -0.270 0.000 0.800 385 E CB -0.425 29.108 29.700 -0.279 0.000 0.758 385 E HN 0.388 nan 8.360 nan 0.000 0.448 386 S N -0.540 115.118 115.700 -0.069 0.000 2.351 386 S HA -0.235 4.235 4.470 -0.000 0.000 0.220 386 S C 2.238 176.812 174.600 -0.042 0.000 1.035 386 S CA 2.341 60.522 58.200 -0.031 0.000 1.031 386 S CB -1.393 61.802 63.200 -0.009 0.000 0.928 386 S HN 0.491 nan 8.310 nan 0.000 0.433 387 T N 1.233 115.753 114.554 -0.056 0.000 2.824 387 T HA 0.159 4.509 4.350 -0.000 0.000 0.238 387 T C 0.123 174.782 174.700 -0.068 0.000 1.067 387 T CA 0.483 62.548 62.100 -0.058 0.000 1.286 387 T CB -0.477 68.354 68.868 -0.063 0.000 0.980 387 T HN 0.711 nan 8.240 nan 0.000 0.414 388 E N 0.945 121.097 120.200 -0.079 0.000 2.397 388 E HA 0.305 4.655 4.350 -0.000 0.000 0.293 388 E C -1.618 174.930 176.600 -0.087 0.000 0.930 388 E CA -0.772 55.581 56.400 -0.078 0.000 0.793 388 E CB 0.683 30.345 29.700 -0.064 0.000 1.259 388 E HN 0.457 nan 8.360 nan 0.000 0.406 389 N N 2.031 120.670 118.700 -0.102 0.000 2.356 389 N HA 0.020 4.760 4.740 -0.000 0.000 0.252 389 N C 0.057 175.535 175.510 -0.053 0.000 1.241 389 N CA 0.874 53.863 53.050 -0.102 0.000 0.861 389 N CB 0.427 38.841 38.487 -0.122 0.000 1.075 389 N HN 0.571 nan 8.380 nan 0.000 0.461 390 I N 0.562 121.118 120.570 -0.023 0.000 5.007 390 I HA 0.308 4.478 4.170 -0.000 0.000 0.323 390 I C 1.031 177.171 176.117 0.038 0.000 1.195 390 I CA 0.249 61.548 61.300 -0.001 0.000 1.407 390 I CB -0.174 37.817 38.000 -0.015 0.000 1.544 390 I HN 0.759 nan 8.210 nan 0.000 0.505 391 G N 1.627 110.501 108.800 0.124 0.000 2.584 391 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.229 391 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.229 391 G C 0.932 175.989 174.900 0.262 0.000 1.320 391 G CA 0.117 45.354 45.100 0.228 0.000 0.891 391 G HN 0.735 nan 8.290 nan 0.000 0.573 392 A N -0.604 122.336 122.820 0.199 0.000 1.792 392 A HA -0.414 3.906 4.320 -0.000 0.000 0.277 392 A C 2.528 180.043 177.584 -0.116 0.000 2.778 392 A CA 3.939 56.050 52.037 0.124 0.000 0.839 392 A CB -1.091 17.949 19.000 0.067 0.000 0.828 392 A HN 1.375 nan 8.150 nan 0.000 0.533 393 R N -2.015 118.378 120.500 -0.179 0.000 2.133 393 R HA -0.243 4.097 4.340 -0.000 0.000 0.245 393 R C 2.234 178.266 176.300 -0.447 0.000 1.137 393 R CA 1.618 57.473 56.100 -0.409 0.000 0.947 393 R CB -0.646 29.590 30.300 -0.106 0.000 0.865 393 R HN 0.486 nan 8.270 nan 0.000 0.437 394 R N 1.304 121.690 120.500 -0.189 0.000 2.165 394 R HA -0.158 4.182 4.340 -0.000 0.000 0.254 394 R C 2.355 178.538 176.300 -0.196 0.000 1.153 394 R CA 1.476 57.480 56.100 -0.159 0.000 0.971 394 R CB -1.066 29.150 30.300 -0.141 0.000 0.878 394 R HN 0.332 nan 8.270 nan 0.000 0.449 395 L N -0.447 120.638 121.223 -0.230 0.000 1.956 395 L HA -0.288 4.052 4.340 -0.000 0.000 0.216 395 L C 2.466 179.315 176.870 -0.034 0.000 1.073 395 L CA 1.972 56.729 54.840 -0.138 0.000 0.762 395 L CB -1.133 40.903 42.059 -0.039 0.000 0.889 395 L HN 0.277 nan 8.230 nan 0.000 0.433 396 H N -0.060 119.011 119.070 0.001 0.000 2.337 396 H HA -0.209 4.347 4.556 -0.000 0.000 0.288 396 H C 2.325 177.653 175.328 0.000 0.000 1.117 396 H CA 2.134 58.186 56.048 0.007 0.000 1.205 396 H CB -1.654 28.124 29.762 0.027 0.000 1.353 396 H HN 0.463 nan 8.280 nan 0.000 0.480 397 T N 1.313 115.922 114.554 0.093 0.000 2.668 397 T HA -0.107 4.243 4.350 -0.000 0.000 0.262 397 T C 2.421 177.130 174.700 0.016 0.000 1.045 397 T CA 2.176 64.305 62.100 0.049 0.000 1.152 397 T CB -1.075 67.805 68.868 0.020 0.000 0.864 397 T HN 0.405 nan 8.240 nan 0.000 0.419 398 V N 1.167 121.068 119.914 -0.023 0.000 2.380 398 V HA -0.140 3.980 4.120 -0.000 0.000 0.251 398 V C 2.334 178.408 176.094 -0.034 0.000 1.063 398 V CA 1.759 64.035 62.300 -0.040 0.000 1.055 398 V CB -1.228 30.544 31.823 -0.085 0.000 0.657 398 V HN 0.424 nan 8.190 nan 0.000 0.455 399 L N -0.008 121.191 121.223 -0.039 0.000 1.993 399 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 399 L C 2.705 179.531 176.870 -0.074 0.000 1.074 399 L CA 2.277 57.073 54.840 -0.073 0.000 0.746 399 L CB -0.592 41.403 42.059 -0.106 0.000 0.896 399 L HN 0.356 nan 8.230 nan 0.000 0.435 400 E N 0.005 120.185 120.200 -0.032 0.000 2.147 400 E HA -0.316 4.034 4.350 -0.000 0.000 0.199 400 E C 2.238 178.872 176.600 0.057 0.000 1.005 400 E CA 1.720 58.137 56.400 0.028 0.000 0.810 400 E CB -0.172 29.582 29.700 0.089 0.000 0.736 400 E HN 0.388 nan 8.360 nan 0.000 0.460 401 R N 0.089 120.615 120.500 0.043 0.000 2.092 401 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 401 R C 2.405 178.744 176.300 0.065 0.000 1.119 401 R CA 1.521 57.650 56.100 0.048 0.000 0.970 401 R CB -0.554 29.765 30.300 0.032 0.000 0.864 401 R HN 0.379 nan 8.270 nan 0.000 0.440 402 L N -1.030 120.226 121.223 0.055 0.000 2.156 402 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 402 L C 1.250 178.219 176.870 0.165 0.000 1.095 402 L CA 1.262 56.157 54.840 0.093 0.000 0.770 402 L CB -0.189 41.855 42.059 -0.026 0.000 0.914 402 L HN 0.131 nan 8.230 nan 0.000 0.439 403 M N 0.217 119.887 119.600 0.117 0.000 2.633 403 M HA 0.053 4.533 4.480 -0.000 0.000 0.226 403 M C 1.447 177.914 176.300 0.278 0.000 1.137 403 M CA 0.341 55.767 55.300 0.210 0.000 1.020 403 M CB -1.083 31.529 32.600 0.020 0.000 1.675 403 M HN 0.492 nan 8.290 nan 0.000 0.500 404 E N 1.569 121.892 120.200 0.205 0.000 1.986 404 E HA -0.288 4.062 4.350 -0.000 0.000 0.229 404 E C 1.365 178.091 176.600 0.210 0.000 0.997 404 E CA 2.492 58.993 56.400 0.168 0.000 0.894 404 E CB 0.105 29.851 29.700 0.078 0.000 0.813 404 E HN 0.472 nan 8.360 nan 0.000 0.549 405 E N 0.171 120.478 120.200 0.178 0.000 2.072 405 E HA -0.274 4.076 4.350 -0.000 0.000 0.218 405 E C 2.121 178.874 176.600 0.255 0.000 1.051 405 E CA 2.364 58.894 56.400 0.217 0.000 0.880 405 E CB -0.398 29.406 29.700 0.175 0.000 0.783 405 E HN 0.383 nan 8.360 nan 0.000 0.473 406 I N 0.820 121.544 120.570 0.257 0.000 2.141 406 I HA -0.380 3.790 4.170 -0.000 0.000 0.243 406 I C 2.448 178.674 176.117 0.181 0.000 1.035 406 I CA 1.739 63.167 61.300 0.213 0.000 1.302 406 I CB -1.748 36.410 38.000 0.263 0.000 1.006 406 I HN 0.107 nan 8.210 nan 0.000 0.413 407 S N -0.658 115.190 115.700 0.247 0.000 2.356 407 S HA -0.221 4.249 4.470 -0.000 0.000 0.223 407 S C 1.996 176.693 174.600 0.162 0.000 1.032 407 S CA 1.323 59.640 58.200 0.195 0.000 1.005 407 S CB -0.396 62.969 63.200 0.275 0.000 0.867 407 S HN 0.474 nan 8.310 nan 0.000 0.449 408 Y N 2.929 123.277 120.300 0.080 0.000 2.113 408 Y HA -0.076 4.474 4.550 -0.000 0.000 0.269 408 Y C 0.488 176.411 175.900 0.038 0.000 1.098 408 Y CA 1.767 59.898 58.100 0.052 0.000 1.083 408 Y CB -0.748 37.742 38.460 0.049 0.000 0.997 408 Y HN 0.341 nan 8.280 nan 0.000 0.476 409 D N 0.971 121.371 120.400 0.000 0.000 2.455 409 D HA 0.332 4.972 4.640 -0.000 0.000 0.234 409 D C 0.393 176.665 176.300 -0.047 0.000 1.224 409 D CA 0.535 54.470 54.000 -0.109 0.000 0.999 409 D CB 0.651 41.481 40.800 0.051 0.000 1.072 409 D HN 0.433 nan 8.370 nan 0.000 0.514 410 A N 2.140 124.904 122.820 -0.094 0.000 2.050 410 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 410 A C 1.980 179.525 177.584 -0.065 0.000 1.577 410 A CA 0.425 52.427 52.037 -0.059 0.000 0.752 410 A CB -0.621 18.341 19.000 -0.064 0.000 1.220 410 A HN 0.443 nan 8.150 nan 0.000 0.543 411 S N 0.321 115.972 115.700 -0.081 0.000 2.469 411 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 411 S C 1.120 175.683 174.600 -0.063 0.000 0.998 411 S CA 1.643 59.802 58.200 -0.068 0.000 0.957 411 S CB -0.518 62.639 63.200 -0.072 0.000 0.764 411 S HN 0.493 nan 8.310 nan 0.000 0.514 412 D N 1.092 121.446 120.400 -0.077 0.000 2.378 412 D HA 0.061 4.701 4.640 -0.000 0.000 0.227 412 D C 0.648 176.928 176.300 -0.032 0.000 1.012 412 D CA 0.642 54.607 54.000 -0.058 0.000 0.905 412 D CB -0.087 40.669 40.800 -0.073 0.000 0.895 412 D HN 0.604 nan 8.370 nan 0.000 0.532 413 L N -3.044 118.159 121.223 -0.033 0.000 3.794 413 L HA 0.321 4.661 4.340 -0.000 0.000 0.364 413 L C 0.347 177.199 176.870 -0.029 0.000 1.297 413 L CA -0.588 54.238 54.840 -0.024 0.000 1.130 413 L CB -0.661 41.390 42.059 -0.014 0.000 1.442 413 L HN -0.228 nan 8.230 nan 0.000 0.616 414 S N 0.616 116.295 115.700 -0.034 0.000 2.550 414 S HA 0.399 4.869 4.470 -0.000 0.000 0.285 414 S C 1.509 176.091 174.600 -0.030 0.000 1.326 414 S CA 1.507 59.686 58.200 -0.035 0.000 1.037 414 S CB 0.490 63.669 63.200 -0.035 0.000 0.838 414 S HN 1.411 nan 8.310 nan 0.000 0.519 415 G N 3.559 112.340 108.800 -0.031 0.000 5.005 415 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 415 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 415 G C 0.076 174.958 174.900 -0.030 0.000 1.536 415 G CA 0.330 45.414 45.100 -0.027 0.000 1.060 415 G HN 1.312 nan 8.290 nan 0.000 0.683 416 Q N 1.231 121.013 119.800 -0.030 0.000 2.730 416 Q HA 0.417 4.757 4.340 -0.000 0.000 0.255 416 Q C 0.082 176.056 176.000 -0.044 0.000 1.155 416 Q CA 0.826 56.609 55.803 -0.034 0.000 1.035 416 Q CB 0.198 28.917 28.738 -0.032 0.000 1.335 416 Q HN 0.586 nan 8.270 nan 0.000 0.556 417 N N -0.130 118.540 118.700 -0.050 0.000 2.314 417 N HA 0.419 5.159 4.740 -0.000 0.000 0.304 417 N C -1.412 174.044 175.510 -0.090 0.000 1.073 417 N CA -0.784 52.227 53.050 -0.066 0.000 0.822 417 N CB 1.080 39.533 38.487 -0.057 0.000 1.280 417 N HN 0.612 nan 8.380 nan 0.000 0.489 418 I N 0.032 120.527 120.570 -0.125 0.000 2.562 418 I HA 0.476 4.646 4.170 -0.000 0.000 0.301 418 I C 0.127 176.107 176.117 -0.229 0.000 1.003 418 I CA -0.861 60.327 61.300 -0.187 0.000 1.127 418 I CB 1.043 38.910 38.000 -0.222 0.000 1.304 418 I HN 0.543 nan 8.210 nan 0.000 0.446 419 T N 2.126 116.514 114.554 -0.275 0.000 2.770 419 T HA 0.646 4.996 4.350 -0.000 0.000 0.283 419 T C -0.448 174.050 174.700 -0.337 0.000 0.988 419 T CA -0.480 61.476 62.100 -0.239 0.000 0.957 419 T CB 0.849 69.631 68.868 -0.144 0.000 0.930 419 T HN 0.341 nan 8.240 nan 0.000 0.443 420 I N 5.878 126.311 120.570 -0.229 0.000 2.257 420 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 420 I C 0.543 176.717 176.117 0.094 0.000 1.137 420 I CA -0.445 60.825 61.300 -0.049 0.000 1.255 420 I CB -0.029 37.935 38.000 -0.060 0.000 1.485 420 I HN 0.706 nan 8.210 nan 0.000 0.534 421 D N 3.854 124.317 120.400 0.105 0.000 2.387 421 D HA 0.326 4.966 4.640 -0.000 0.000 0.255 421 D C 1.168 177.533 176.300 0.108 0.000 1.081 421 D CA -0.584 53.472 54.000 0.093 0.000 0.994 421 D CB 1.382 42.215 40.800 0.056 0.000 1.127 421 D HN 0.247 nan 8.370 nan 0.000 0.513 422 A N 0.537 123.396 122.820 0.066 0.000 1.986 422 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 422 A C 1.616 179.219 177.584 0.032 0.000 1.171 422 A CA 1.696 53.758 52.037 0.041 0.000 0.640 422 A CB -0.492 18.524 19.000 0.027 0.000 0.811 422 A HN 0.612 nan 8.150 nan 0.000 0.451 423 D N -1.977 118.452 120.400 0.050 0.000 2.137 423 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 423 D C 1.726 178.058 176.300 0.053 0.000 0.970 423 D CA 1.372 55.401 54.000 0.047 0.000 0.837 423 D CB -0.421 40.413 40.800 0.057 0.000 0.981 423 D HN 0.664 nan 8.370 nan 0.000 0.475 424 Y N 2.037 122.302 120.300 -0.059 0.000 2.114 424 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 424 Y C 2.166 177.913 175.900 -0.256 0.000 1.165 424 Y CA 1.293 59.314 58.100 -0.133 0.000 1.148 424 Y CB -0.155 38.226 38.460 -0.132 0.000 0.972 424 Y HN -0.243 nan 8.280 nan 0.000 0.504 425 V N 0.462 120.241 119.914 -0.225 0.000 2.231 425 V HA -0.402 3.718 4.120 -0.000 0.000 0.239 425 V C 2.486 178.445 176.094 -0.224 0.000 1.035 425 V CA 2.492 64.621 62.300 -0.284 0.000 0.989 425 V CB -1.409 30.364 31.823 -0.083 0.000 0.636 425 V HN 0.645 nan 8.190 nan 0.000 0.457 426 S N -0.033 115.610 115.700 -0.095 0.000 2.399 426 S HA -0.413 4.057 4.470 -0.000 0.000 0.235 426 S C 1.909 176.491 174.600 -0.030 0.000 1.063 426 S CA 2.273 60.446 58.200 -0.046 0.000 1.070 426 S CB -0.751 62.438 63.200 -0.018 0.000 0.904 426 S HN 0.550 nan 8.310 nan 0.000 0.456 427 K N 0.794 121.171 120.400 -0.038 0.000 2.107 427 K HA -0.232 4.088 4.320 -0.000 0.000 0.211 427 K C 2.096 178.768 176.600 0.120 0.000 1.049 427 K CA 2.137 58.449 56.287 0.040 0.000 0.927 427 K CB -0.269 32.273 32.500 0.070 0.000 0.714 427 K HN 0.727 nan 8.250 nan 0.000 0.452 428 H N -0.611 118.362 119.070 -0.161 0.000 2.298 428 H HA -0.054 4.502 4.556 -0.000 0.000 0.318 428 H C 2.134 177.407 175.328 -0.092 0.000 1.064 428 H CA 0.440 56.401 56.048 -0.144 0.000 1.415 428 H CB -0.035 29.596 29.762 -0.220 0.000 1.453 428 H HN -0.027 nan 8.280 nan 0.000 0.546 429 L N 1.357 122.621 121.223 0.067 0.000 1.976 429 L HA -0.280 4.060 4.340 -0.000 0.000 0.223 429 L C 1.885 178.761 176.870 0.009 0.000 1.081 429 L CA 1.540 56.390 54.840 0.016 0.000 0.784 429 L CB -1.505 40.546 42.059 -0.013 0.000 0.896 429 L HN 0.377 nan 8.230 nan 0.000 0.438 430 D N -0.440 119.962 120.400 0.003 0.000 5.591 430 D HA -0.348 4.292 4.640 -0.000 0.000 0.357 430 D C 2.005 178.310 176.300 0.008 0.000 1.674 430 D CA 2.487 56.490 54.000 0.005 0.000 1.017 430 D CB -0.349 40.455 40.800 0.007 0.000 0.725 430 D HN 0.427 nan 8.370 nan 0.000 0.843 431 A N -0.163 122.662 122.820 0.008 0.000 1.834 431 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 431 A C 2.336 179.925 177.584 0.008 0.000 1.203 431 A CA 2.244 54.285 52.037 0.006 0.000 0.621 431 A CB -1.073 17.927 19.000 0.000 0.000 0.841 431 A HN 0.251 nan 8.150 nan 0.000 0.446 432 L N -0.076 121.152 121.223 0.008 0.000 2.012 432 L HA -0.334 4.006 4.340 -0.000 0.000 0.236 432 L C 2.646 179.526 176.870 0.017 0.000 1.099 432 L CA 2.744 57.592 54.840 0.014 0.000 0.821 432 L CB -1.556 40.511 42.059 0.013 0.000 0.918 432 L HN 0.421 nan 8.230 nan 0.000 0.445 433 V N -1.497 118.424 119.914 0.012 0.000 2.280 433 V HA -0.415 3.705 4.120 -0.000 0.000 0.258 433 V C 2.552 178.657 176.094 0.019 0.000 1.081 433 V CA 2.302 64.610 62.300 0.013 0.000 1.070 433 V CB -2.127 29.703 31.823 0.012 0.000 0.666 433 V HN 0.565 nan 8.190 nan 0.000 0.450 434 A N 0.630 123.460 122.820 0.018 0.000 1.851 434 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 434 A C 1.560 179.157 177.584 0.021 0.000 1.195 434 A CA 1.678 53.727 52.037 0.019 0.000 0.622 434 A CB -0.847 18.163 19.000 0.016 0.000 0.831 434 A HN 0.637 nan 8.150 nan 0.000 0.444 435 D N 0.416 120.829 120.400 0.021 0.000 2.429 435 D HA 0.086 4.726 4.640 -0.000 0.000 0.253 435 D C 1.026 177.349 176.300 0.039 0.000 1.294 435 D CA 0.181 54.197 54.000 0.027 0.000 1.063 435 D CB -0.022 40.792 40.800 0.024 0.000 1.096 435 D HN 0.510 nan 8.370 nan 0.000 0.516 436 E N 1.795 122.017 120.200 0.035 0.000 2.005 436 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 436 E C 0.366 177.004 176.600 0.064 0.000 1.010 436 E CA 0.875 57.297 56.400 0.036 0.000 0.825 436 E CB -0.010 29.704 29.700 0.023 0.000 0.769 436 E HN 0.450 nan 8.360 nan 0.000 0.456 437 D N 0.558 121.003 120.400 0.075 0.000 2.821 437 D HA -0.040 4.600 4.640 -0.000 0.000 0.224 437 D C 0.542 176.968 176.300 0.210 0.000 1.071 437 D CA 0.433 54.511 54.000 0.129 0.000 1.182 437 D CB 0.036 40.894 40.800 0.097 0.000 1.161 437 D HN 0.109 nan 8.370 nan 0.000 0.449 438 L N -0.981 120.402 121.223 0.267 0.000 1.381 438 L HA -0.112 4.228 4.340 -0.000 0.000 0.129 438 L C 1.408 178.487 176.870 0.349 0.000 1.359 438 L CA 0.489 55.530 54.840 0.334 0.000 1.203 438 L CB -0.894 41.230 42.059 0.108 0.000 2.498 438 L HN 0.086 nan 8.230 nan 0.000 0.478 439 S N 2.249 118.046 115.700 0.160 0.000 2.423 439 S HA -0.151 4.319 4.470 -0.000 0.000 0.238 439 S C 1.464 176.103 174.600 0.065 0.000 1.028 439 S CA 1.413 59.668 58.200 0.092 0.000 1.000 439 S CB -0.757 62.466 63.200 0.038 0.000 0.797 439 S HN 0.534 nan 8.310 nan 0.000 0.487 440 R N 0.110 120.623 120.500 0.021 0.000 2.346 440 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 440 R C 0.532 176.613 176.300 -0.364 0.000 1.015 440 R CA 0.560 56.547 56.100 -0.187 0.000 1.058 440 R CB -0.521 29.598 30.300 -0.303 0.000 0.921 440 R HN 0.503 nan 8.270 nan 0.000 0.475 441 F N -0.084 119.860 119.950 -0.009 0.000 2.549 441 F HA 0.172 4.699 4.527 -0.000 0.000 0.275 441 F C 1.907 177.705 175.800 -0.004 0.000 0.990 441 F CA -0.126 57.870 58.000 -0.006 0.000 1.274 441 F CB 0.171 39.167 39.000 -0.007 0.000 1.064 441 F HN -0.166 nan 8.300 nan 0.000 0.715 442 I N 0.045 120.733 120.570 0.198 0.000 3.883 442 I HA 0.311 4.481 4.170 -0.000 0.000 0.326 442 I C -0.402 175.751 176.117 0.060 0.000 1.283 442 I CA 0.613 61.976 61.300 0.106 0.000 1.161 442 I CB -1.340 36.707 38.000 0.079 0.000 1.012 442 I HN -0.011 nan 8.210 nan 0.000 0.421 443 L N 0.000 121.247 121.223 0.041 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.844 54.840 0.007 0.000 0.813 443 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502