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 2ntp_1_A DATA FIRST_RESID 25 DATA SEQUENCE ATTYNAVVSK SSSDGKTFKT IADAIASAPA GSTPFVILIK NGVYNERLTI DATA SEQUENCE TRNNLHLKGE SRNGAVIAAA TAAGTLKSDG SKWGTAGSST ITISAKDFSA DATA SEQUENCE QSLTIRNDFD FPANQAKSDS DSSKIKDTQA VALYVTKSGD RAYFKDVSLV DATA SEQUENCE GYQDTLYVSG GRSFFSDcRI SGTVDFIFGD GTALFNNcDL VSRYRADVKS DATA SEQUENCE GNVSGYLTAP STNINQKYGL VITNSRVIRE SDSVPAKSYG LGRPWHPTTT DATA SEQUENCE FSDGRYADPN AIGQTVFLNT SMDNHIYGWD KMSGKDKNGN TIWFNPEDSR DATA SEQUENCE FFEYKSYGAG ATVSKDRRQL TDAQAAEYTQ SKVLGDWTPT LP 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.512 177.584 -0.121 0.000 1.274 25 A CA 0.000 51.987 52.037 -0.083 0.000 0.836 25 A CB 0.000 18.958 19.000 -0.071 0.000 0.831 26 T N -0.551 113.907 114.554 -0.161 0.000 2.879 26 T HA 0.818 5.164 4.350 -0.006 0.000 0.290 26 T C -0.399 174.078 174.700 -0.371 0.000 0.993 26 T CA -0.397 61.548 62.100 -0.259 0.000 0.975 26 T CB 1.802 70.507 68.868 -0.272 0.000 0.981 26 T HN 1.398 nan 8.240 nan 0.000 0.439 27 T N 1.648 115.945 114.554 -0.428 0.000 2.906 27 T HA 0.664 5.010 4.350 -0.006 0.000 0.295 27 T C -1.746 172.625 174.700 -0.548 0.000 1.075 27 T CA -0.614 61.225 62.100 -0.435 0.000 1.005 27 T CB 0.985 69.732 68.868 -0.202 0.000 1.136 27 T HN 0.541 nan 8.240 nan 0.000 0.498 28 Y N 2.605 122.848 120.300 -0.095 0.000 2.352 28 Y HA 0.396 4.942 4.550 -0.007 0.000 0.339 28 Y C 1.336 177.132 175.900 -0.174 0.000 0.992 28 Y CA -0.888 57.130 58.100 -0.137 0.000 1.100 28 Y CB 1.333 39.734 38.460 -0.098 0.000 1.192 28 Y HN 0.685 nan 8.280 nan 0.000 0.458 29 N N 1.523 120.111 118.700 -0.186 0.000 2.300 29 N HA 0.198 4.934 4.740 -0.006 0.000 0.179 29 N C -0.197 175.198 175.510 -0.191 0.000 1.016 29 N CA 0.948 53.784 53.050 -0.356 0.000 0.876 29 N CB 0.329 38.190 38.487 -1.043 0.000 0.979 29 N HN 0.636 nan 8.380 nan 0.000 0.432 30 A N -0.314 122.421 122.820 -0.143 0.000 2.572 30 A HA 0.679 4.995 4.320 -0.006 0.000 0.295 30 A C -1.472 176.162 177.584 0.082 0.000 1.072 30 A CA -0.558 51.546 52.037 0.112 0.000 0.691 30 A CB 1.417 20.507 19.000 0.151 0.000 1.291 30 A HN -0.127 nan 8.150 nan 0.000 0.404 31 V N 1.113 121.135 119.914 0.182 0.000 2.588 31 V HA 0.583 4.699 4.120 -0.006 0.000 0.304 31 V C -0.539 175.650 176.094 0.158 0.000 1.042 31 V CA -0.603 61.733 62.300 0.061 0.000 0.877 31 V CB 1.712 33.538 31.823 0.005 0.000 0.996 31 V HN 0.736 nan 8.190 nan 0.000 0.425 32 V N 3.787 123.731 119.914 0.051 0.000 2.459 32 V HA 0.842 4.958 4.120 -0.006 0.000 0.295 32 V C 0.052 176.204 176.094 0.097 0.000 1.029 32 V CA -0.202 62.146 62.300 0.079 0.000 0.874 32 V CB 1.761 33.528 31.823 -0.093 0.000 0.985 32 V HN 1.073 nan 8.190 nan 0.000 0.438 33 S N 3.681 119.490 115.700 0.182 0.000 2.579 33 S HA 0.547 5.013 4.470 -0.006 0.000 0.272 33 S C 0.034 174.760 174.600 0.209 0.000 1.141 33 S CA -0.919 57.401 58.200 0.199 0.000 0.843 33 S CB 2.292 65.551 63.200 0.099 0.000 1.122 33 S HN 0.410 nan 8.310 nan 0.000 0.468 34 K N 0.917 121.401 120.400 0.140 0.000 2.296 34 K HA 0.241 4.557 4.320 -0.006 0.000 0.200 34 K C 0.252 176.871 176.600 0.031 0.000 1.048 34 K CA 0.483 56.793 56.287 0.039 0.000 0.966 34 K CB -0.202 32.261 32.500 -0.061 0.000 0.754 34 K HN 0.623 nan 8.250 nan 0.000 0.466 35 S N 0.914 116.636 115.700 0.037 0.000 2.508 35 S HA 0.094 4.561 4.470 -0.006 0.000 0.284 35 S C 1.043 175.656 174.600 0.023 0.000 1.192 35 S CA -0.494 57.719 58.200 0.022 0.000 1.070 35 S CB 1.700 64.910 63.200 0.016 0.000 1.004 35 S HN 0.268 nan 8.310 nan 0.000 0.493 36 S N 1.325 117.034 115.700 0.014 0.000 2.527 36 S HA -0.034 4.432 4.470 -0.006 0.000 0.222 36 S C 1.683 176.285 174.600 0.003 0.000 0.985 36 S CA 0.613 58.818 58.200 0.008 0.000 0.921 36 S CB -0.131 63.072 63.200 0.005 0.000 0.772 36 S HN 0.560 nan 8.310 nan 0.000 0.529 37 S N 1.470 117.173 115.700 0.005 0.000 2.481 37 S HA -0.049 4.417 4.470 -0.006 0.000 0.231 37 S C 1.062 175.665 174.600 0.004 0.000 0.996 37 S CA 0.874 59.077 58.200 0.004 0.000 0.942 37 S CB -0.584 62.619 63.200 0.004 0.000 0.768 37 S HN 0.525 nan 8.310 nan 0.000 0.520 38 D N 0.561 120.965 120.400 0.007 0.000 2.144 38 D HA 0.225 4.861 4.640 -0.006 0.000 0.200 38 D C 1.574 177.875 176.300 0.001 0.000 0.978 38 D CA 1.390 55.395 54.000 0.008 0.000 0.833 38 D CB -0.147 40.662 40.800 0.015 0.000 0.961 38 D HN 0.552 nan 8.370 nan 0.000 0.470 39 G N 0.317 109.114 108.800 -0.006 0.000 2.952 39 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.226 39 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.226 39 G C -0.700 174.179 174.900 -0.034 0.000 1.462 39 G CA -0.119 44.972 45.100 -0.015 0.000 1.157 39 G HN 0.298 nan 8.290 nan 0.000 0.544 40 K N 1.938 122.316 120.400 -0.038 0.000 2.751 40 K HA 0.479 4.795 4.320 -0.006 0.000 0.252 40 K C 0.028 176.571 176.600 -0.095 0.000 1.277 40 K CA 0.498 56.742 56.287 -0.073 0.000 1.226 40 K CB -0.024 32.446 32.500 -0.051 0.000 1.658 40 K HN 0.779 nan 8.250 nan 0.000 0.303 41 T N -2.062 112.432 114.554 -0.099 0.000 2.908 41 T HA 0.496 4.842 4.350 -0.006 0.000 0.290 41 T C -0.317 174.314 174.700 -0.114 0.000 1.034 41 T CA -0.861 61.210 62.100 -0.049 0.000 1.010 41 T CB 0.756 69.643 68.868 0.032 0.000 1.068 41 T HN 0.157 nan 8.240 nan 0.000 0.481 42 F N 1.178 121.151 119.950 0.038 0.000 2.389 42 F HA 0.434 4.959 4.527 -0.004 0.000 0.337 42 F C 1.878 177.718 175.800 0.068 0.000 1.112 42 F CA -0.592 57.438 58.000 0.049 0.000 1.192 42 F CB 1.160 40.188 39.000 0.047 0.000 1.185 42 F HN 0.626 nan 8.300 nan 0.000 0.552 43 K N -0.093 120.461 120.400 0.257 0.000 2.186 43 K HA 0.016 4.333 4.320 -0.006 0.000 0.202 43 K C 0.568 177.324 176.600 0.259 0.000 1.052 43 K CA 1.035 57.448 56.287 0.210 0.000 0.965 43 K CB 0.083 32.668 32.500 0.143 0.000 0.746 43 K HN 0.744 nan 8.250 nan 0.000 0.457 44 T N -2.671 112.024 114.554 0.235 0.000 2.908 44 T HA 0.378 4.725 4.350 -0.006 0.000 0.290 44 T C 1.070 175.810 174.700 0.067 0.000 1.034 44 T CA -0.819 61.390 62.100 0.183 0.000 1.010 44 T CB 1.534 70.489 68.868 0.145 0.000 1.068 44 T HN -0.091 nan 8.240 nan 0.000 0.481 45 I N 1.616 122.170 120.570 -0.027 0.000 2.252 45 I HA -0.037 4.130 4.170 -0.006 0.000 0.245 45 I C 3.022 179.092 176.117 -0.078 0.000 1.102 45 I CA 1.419 62.653 61.300 -0.111 0.000 1.385 45 I CB -0.719 37.189 38.000 -0.153 0.000 1.064 45 I HN 0.877 nan 8.210 nan 0.000 0.414 46 A N 0.804 123.607 122.820 -0.029 0.000 1.917 46 A HA -0.266 4.051 4.320 -0.006 0.000 0.219 46 A C 1.960 179.507 177.584 -0.062 0.000 1.182 46 A CA 2.284 54.303 52.037 -0.030 0.000 0.633 46 A CB -0.633 18.371 19.000 0.007 0.000 0.819 46 A HN 0.357 nan 8.150 nan 0.000 0.448 47 D N -0.097 120.280 120.400 -0.040 0.000 2.117 47 D HA -0.024 4.612 4.640 -0.006 0.000 0.198 47 D C 2.262 178.339 176.300 -0.372 0.000 0.982 47 D CA 1.513 55.486 54.000 -0.046 0.000 0.828 47 D CB -0.495 40.407 40.800 0.170 0.000 0.967 47 D HN 0.429 nan 8.370 nan 0.000 0.464 48 A N 0.723 123.172 122.820 -0.619 0.000 1.902 48 A HA -0.135 4.181 4.320 -0.006 0.000 0.217 48 A C 2.378 179.714 177.584 -0.413 0.000 1.181 48 A CA 0.928 52.356 52.037 -1.015 0.000 0.623 48 A CB -0.715 17.918 19.000 -0.612 0.000 0.818 48 A HN 0.193 nan 8.150 nan 0.000 0.443 49 I N -0.260 120.176 120.570 -0.222 0.000 2.226 49 I HA -0.266 3.900 4.170 -0.006 0.000 0.245 49 I C 2.943 178.919 176.117 -0.235 0.000 1.100 49 I CA 1.058 62.269 61.300 -0.149 0.000 1.374 49 I CB -0.338 37.615 38.000 -0.078 0.000 1.057 49 I HN 0.349 nan 8.210 nan 0.000 0.413 50 A N 0.673 123.379 122.820 -0.191 0.000 1.972 50 A HA -0.224 4.092 4.320 -0.006 0.000 0.219 50 A C 2.465 179.940 177.584 -0.181 0.000 1.169 50 A CA 2.000 53.944 52.037 -0.155 0.000 0.635 50 A CB -0.820 18.131 19.000 -0.083 0.000 0.810 50 A HN 0.535 nan 8.150 nan 0.000 0.446 51 S N 0.229 115.802 115.700 -0.212 0.000 2.442 51 S HA 0.233 4.699 4.470 -0.006 0.000 0.236 51 S C 1.077 175.532 174.600 -0.241 0.000 1.007 51 S CA 0.581 58.710 58.200 -0.119 0.000 0.965 51 S CB -0.865 62.316 63.200 -0.031 0.000 0.773 51 S HN 1.055 nan 8.310 nan 0.000 0.504 52 A N 3.791 126.230 122.820 -0.634 0.000 2.511 52 A HA 0.473 4.789 4.320 -0.006 0.000 0.242 52 A C -1.712 175.592 177.584 -0.467 0.000 1.069 52 A CA -1.258 50.103 52.037 -1.126 0.000 0.763 52 A CB -0.356 17.658 19.000 -1.643 0.000 1.001 52 A HN 0.483 nan 8.150 nan 0.000 0.498 53 P HA 0.250 nan 4.420 nan 0.000 0.269 53 P C -0.007 177.220 177.300 -0.121 0.000 1.209 53 P CA 0.130 63.162 63.100 -0.113 0.000 0.776 53 P CB 0.550 32.240 31.700 -0.017 0.000 0.876 54 A N 2.089 124.861 122.820 -0.081 0.000 2.540 54 A HA 0.498 4.814 4.320 -0.006 0.000 0.239 54 A C 0.982 178.539 177.584 -0.045 0.000 1.061 54 A CA 1.125 53.122 52.037 -0.067 0.000 0.758 54 A CB -1.054 17.917 19.000 -0.048 0.000 0.991 54 A HN 0.947 nan 8.150 nan 0.000 0.502 55 G N 0.172 108.947 108.800 -0.043 0.000 2.250 55 G HA2 0.348 4.304 3.960 -0.006 0.000 0.252 55 G HA3 0.348 4.304 3.960 -0.006 0.000 0.252 55 G C 0.182 175.072 174.900 -0.016 0.000 1.325 55 G CA 0.447 45.533 45.100 -0.023 0.000 1.091 55 G HN 2.040 nan 8.290 nan 0.000 0.476 56 S N -1.179 114.523 115.700 0.004 0.000 2.960 56 S HA 0.424 4.890 4.470 -0.006 0.000 0.256 56 S C 0.677 175.304 174.600 0.045 0.000 1.017 56 S CA 1.049 59.259 58.200 0.016 0.000 1.144 56 S CB -0.067 63.135 63.200 0.004 0.000 1.109 56 S HN 1.970 nan 8.310 nan 0.000 0.638 57 T N 2.300 116.888 114.554 0.057 0.000 2.932 57 T HA 0.370 4.716 4.350 -0.006 0.000 0.312 57 T C -2.680 172.100 174.700 0.133 0.000 1.071 57 T CA -1.211 60.938 62.100 0.082 0.000 1.128 57 T CB -0.197 68.719 68.868 0.081 0.000 0.984 57 T HN 0.118 nan 8.240 nan 0.000 0.549 58 P HA 0.207 nan 4.420 nan 0.000 0.265 58 P C -1.169 176.286 177.300 0.257 0.000 1.193 58 P CA -0.193 63.030 63.100 0.206 0.000 0.765 58 P CB 0.112 31.872 31.700 0.100 0.000 0.823 59 F N 3.816 123.851 119.950 0.142 0.000 2.539 59 F HA 0.352 4.874 4.527 -0.008 0.000 0.328 59 F C -1.008 174.867 175.800 0.125 0.000 1.148 59 F CA -0.750 57.305 58.000 0.091 0.000 0.940 59 F CB 1.464 40.487 39.000 0.039 0.000 1.194 59 F HN -0.008 nan 8.300 nan 0.000 0.438 60 V N 7.387 127.155 119.914 -0.245 0.000 2.409 60 V HA 0.477 4.593 4.120 -0.006 0.000 0.291 60 V C -0.155 175.863 176.094 -0.127 0.000 1.020 60 V CA -0.705 61.554 62.300 -0.069 0.000 0.848 60 V CB 1.613 33.414 31.823 -0.037 0.000 0.990 60 V HN 0.561 nan 8.190 nan 0.000 0.430 61 I N 5.432 125.993 120.570 -0.015 0.000 2.389 61 I HA 0.399 4.565 4.170 -0.006 0.000 0.288 61 I C -0.611 175.447 176.117 -0.099 0.000 0.999 61 I CA -0.722 60.548 61.300 -0.049 0.000 1.129 61 I CB 1.862 39.858 38.000 -0.006 0.000 1.288 61 I HN 0.435 nan 8.210 nan 0.000 0.444 62 L N 8.371 129.429 121.223 -0.275 0.000 2.290 62 L HA 0.507 4.843 4.340 -0.006 0.000 0.284 62 L C -0.625 176.086 176.870 -0.264 0.000 1.078 62 L CA 0.245 54.796 54.840 -0.481 0.000 0.815 62 L CB 0.633 42.044 42.059 -1.078 0.000 1.162 62 L HN 0.407 nan 8.230 nan 0.000 0.435 63 I N 6.062 126.508 120.570 -0.207 0.000 2.359 63 I HA 0.313 4.479 4.170 -0.006 0.000 0.284 63 I C -0.029 176.041 176.117 -0.078 0.000 1.018 63 I CA -0.833 60.360 61.300 -0.178 0.000 1.173 63 I CB 0.765 38.622 38.000 -0.237 0.000 1.326 63 I HN 0.485 nan 8.210 nan 0.000 0.462 64 K N 4.122 124.518 120.400 -0.007 0.000 2.276 64 K HA 0.188 4.504 4.320 -0.006 0.000 0.259 64 K C -0.044 176.657 176.600 0.169 0.000 1.001 64 K CA -0.511 55.811 56.287 0.059 0.000 0.927 64 K CB 0.417 32.953 32.500 0.061 0.000 0.969 64 K HN 0.415 nan 8.250 nan 0.000 0.490 65 N N 0.694 119.460 118.700 0.111 0.000 2.293 65 N HA 0.072 4.808 4.740 -0.006 0.000 0.253 65 N C 0.447 176.024 175.510 0.111 0.000 1.248 65 N CA 0.961 54.077 53.050 0.111 0.000 0.845 65 N CB 0.373 38.891 38.487 0.052 0.000 1.073 65 N HN 0.731 nan 8.380 nan 0.000 0.464 66 G N -0.731 108.118 108.800 0.081 0.000 2.347 66 G HA2 0.160 4.116 3.960 -0.006 0.000 0.303 66 G HA3 0.160 4.116 3.960 -0.006 0.000 0.303 66 G C -1.664 173.129 174.900 -0.179 0.000 1.481 66 G CA -0.835 44.176 45.100 -0.149 0.000 0.914 66 G HN 0.325 nan 8.290 nan 0.000 0.638 67 V N 1.180 120.922 119.914 -0.287 0.000 2.333 67 V HA 0.444 4.561 4.120 -0.006 0.000 0.274 67 V C -0.884 175.038 176.094 -0.285 0.000 1.028 67 V CA -0.536 61.675 62.300 -0.148 0.000 0.851 67 V CB 0.525 32.306 31.823 -0.069 0.000 1.000 67 V HN 0.542 nan 8.190 nan 0.000 0.456 68 Y N 3.132 123.450 120.300 0.029 0.000 2.434 68 Y HA 0.278 4.825 4.550 -0.005 0.000 0.341 68 Y C 1.003 176.921 175.900 0.030 0.000 0.965 68 Y CA -0.471 57.648 58.100 0.031 0.000 1.205 68 Y CB 0.578 39.059 38.460 0.036 0.000 1.121 68 Y HN 0.615 nan 8.280 nan 0.000 0.507 69 N N 4.841 123.607 118.700 0.109 0.000 2.739 69 N HA 0.071 4.807 4.740 -0.006 0.000 0.266 69 N C -1.027 174.534 175.510 0.085 0.000 1.168 69 N CA 0.095 53.192 53.050 0.078 0.000 1.055 69 N CB 0.170 38.683 38.487 0.043 0.000 1.393 69 N HN 0.761 nan 8.380 nan 0.000 0.514 70 E N 1.866 122.120 120.200 0.090 0.000 2.383 70 E HA 0.382 4.729 4.350 -0.006 0.000 0.275 70 E C -0.993 175.630 176.600 0.037 0.000 0.918 70 E CA -0.823 55.619 56.400 0.070 0.000 0.764 70 E CB 2.259 32.013 29.700 0.091 0.000 1.252 70 E HN 0.364 nan 8.360 nan 0.000 0.449 71 R N 1.729 122.236 120.500 0.012 0.000 2.445 71 R HA 0.585 4.921 4.340 -0.006 0.000 0.308 71 R C -0.747 175.550 176.300 -0.005 0.000 0.961 71 R CA -0.631 55.460 56.100 -0.016 0.000 0.862 71 R CB 1.224 31.482 30.300 -0.070 0.000 1.144 71 R HN 0.317 nan 8.270 nan 0.000 0.447 72 L N 1.432 122.649 121.223 -0.009 0.000 2.381 72 L HA 0.550 4.887 4.340 -0.006 0.000 0.268 72 L C -0.403 176.444 176.870 -0.038 0.000 0.997 72 L CA -0.800 54.029 54.840 -0.019 0.000 0.818 72 L CB 2.572 44.621 42.059 -0.017 0.000 1.310 72 L HN 0.542 nan 8.230 nan 0.000 0.416 73 T N 3.527 118.053 114.554 -0.046 0.000 2.815 73 T HA 0.515 4.861 4.350 -0.006 0.000 0.289 73 T C -0.374 174.266 174.700 -0.099 0.000 1.000 73 T CA -0.374 61.684 62.100 -0.070 0.000 0.958 73 T CB 1.265 70.112 68.868 -0.035 0.000 0.944 73 T HN 0.152 nan 8.240 nan 0.000 0.442 74 I N 4.558 125.031 120.570 -0.161 0.000 2.304 74 I HA 0.275 4.441 4.170 -0.006 0.000 0.291 74 I C 1.551 177.578 176.117 -0.149 0.000 1.018 74 I CA -0.409 60.788 61.300 -0.173 0.000 1.260 74 I CB 0.602 38.412 38.000 -0.316 0.000 1.390 74 I HN 0.796 nan 8.210 nan 0.000 0.475 75 T N 2.407 116.897 114.554 -0.107 0.000 3.004 75 T HA 0.201 4.548 4.350 -0.006 0.000 0.266 75 T C 0.816 175.467 174.700 -0.082 0.000 0.986 75 T CA -0.293 61.751 62.100 -0.094 0.000 0.902 75 T CB 0.450 69.272 68.868 -0.077 0.000 1.118 75 T HN 0.438 nan 8.240 nan 0.000 0.522 76 R N 2.089 122.542 120.500 -0.077 0.000 2.254 76 R HA 0.354 4.690 4.340 -0.006 0.000 0.318 76 R C -0.775 175.495 176.300 -0.050 0.000 1.031 76 R CA -0.601 55.458 56.100 -0.069 0.000 0.905 76 R CB 0.426 30.673 30.300 -0.090 0.000 1.050 76 R HN 0.161 nan 8.270 nan 0.000 0.456 77 N N 2.768 121.439 118.700 -0.048 0.000 2.479 77 N HA -0.072 4.664 4.740 -0.006 0.000 0.257 77 N C 0.168 175.660 175.510 -0.029 0.000 1.232 77 N CA 0.402 53.428 53.050 -0.041 0.000 0.920 77 N CB 0.324 38.789 38.487 -0.037 0.000 1.105 77 N HN 0.664 nan 8.380 nan 0.000 0.444 78 N N -0.257 118.411 118.700 -0.053 0.000 2.754 78 N HA -0.198 4.538 4.740 -0.006 0.000 0.248 78 N C -1.218 174.179 175.510 -0.188 0.000 1.093 78 N CA 0.286 53.311 53.050 -0.041 0.000 0.699 78 N CB -1.147 37.401 38.487 0.103 0.000 1.016 78 N HN 0.543 nan 8.380 nan 0.000 0.552 79 L N 1.595 122.630 121.223 -0.313 0.000 2.325 79 L HA 0.509 4.845 4.340 -0.006 0.000 0.279 79 L C -0.347 176.106 176.870 -0.695 0.000 1.054 79 L CA -0.375 54.338 54.840 -0.212 0.000 0.804 79 L CB 0.987 43.087 42.059 0.069 0.000 1.200 79 L HN 0.178 nan 8.230 nan 0.000 0.436 80 H N 6.244 125.266 119.070 -0.080 0.000 2.782 80 H HA 0.428 4.979 4.556 -0.008 0.000 0.347 80 H C -1.225 173.991 175.328 -0.185 0.000 1.038 80 H CA -0.599 55.278 56.048 -0.285 0.000 1.255 80 H CB 1.552 31.197 29.762 -0.195 0.000 1.623 80 H HN 0.523 nan 8.280 nan 0.000 0.525 81 L N 2.549 123.657 121.223 -0.192 0.000 2.307 81 L HA 0.468 4.805 4.340 -0.006 0.000 0.284 81 L C 0.129 176.953 176.870 -0.076 0.000 1.023 81 L CA -0.578 54.221 54.840 -0.070 0.000 0.810 81 L CB 1.949 44.015 42.059 0.012 0.000 1.231 81 L HN 0.329 nan 8.230 nan 0.000 0.423 82 K N 1.921 122.295 120.400 -0.044 0.000 2.579 82 K HA 0.525 4.842 4.320 -0.006 0.000 0.250 82 K C -0.281 176.280 176.600 -0.065 0.000 0.952 82 K CA -0.442 55.824 56.287 -0.035 0.000 0.857 82 K CB 1.794 34.321 32.500 0.045 0.000 1.123 82 K HN 0.754 nan 8.250 nan 0.000 0.433 83 G N 1.871 110.648 108.800 -0.038 0.000 2.507 83 G HA2 0.016 3.972 3.960 -0.006 0.000 0.271 83 G HA3 0.016 3.972 3.960 -0.006 0.000 0.271 83 G C 0.433 175.318 174.900 -0.025 0.000 1.189 83 G CA -0.328 44.754 45.100 -0.029 0.000 0.859 83 G HN 0.901 nan 8.290 nan 0.000 0.542 84 E N -0.371 119.818 120.200 -0.019 0.000 2.110 84 E HA -0.059 4.288 4.350 -0.006 0.000 0.193 84 E C 0.924 177.529 176.600 0.009 0.000 0.988 84 E CA 1.274 57.667 56.400 -0.010 0.000 0.804 84 E CB 0.079 29.780 29.700 0.001 0.000 0.745 84 E HN 0.494 nan 8.360 nan 0.000 0.458 85 S N -1.994 113.718 115.700 0.020 0.000 2.543 85 S HA 0.298 4.764 4.470 -0.006 0.000 0.274 85 S C 0.042 174.661 174.600 0.031 0.000 1.149 85 S CA -0.883 57.331 58.200 0.023 0.000 0.866 85 S CB 1.592 64.805 63.200 0.023 0.000 1.111 85 S HN 0.187 nan 8.310 nan 0.000 0.457 86 R N 1.843 122.361 120.500 0.030 0.000 2.081 86 R HA -0.082 4.254 4.340 -0.006 0.000 0.235 86 R C 1.696 178.018 176.300 0.037 0.000 1.131 86 R CA 2.139 58.261 56.100 0.038 0.000 0.960 86 R CB -0.606 29.715 30.300 0.036 0.000 0.856 86 R HN 0.859 nan 8.270 nan 0.000 0.436 87 N N -1.532 117.184 118.700 0.028 0.000 2.223 87 N HA -0.117 4.619 4.740 -0.006 0.000 0.185 87 N C 1.436 176.962 175.510 0.028 0.000 1.016 87 N CA 1.034 54.098 53.050 0.023 0.000 0.863 87 N CB -0.010 38.486 38.487 0.015 0.000 0.983 87 N HN 0.345 nan 8.380 nan 0.000 0.429 88 G N -0.655 108.167 108.800 0.036 0.000 2.848 88 G HA2 0.350 4.306 3.960 -0.006 0.000 0.213 88 G HA3 0.350 4.306 3.960 -0.006 0.000 0.213 88 G C 0.005 174.948 174.900 0.072 0.000 1.101 88 G CA -0.082 45.043 45.100 0.041 0.000 0.778 88 G HN 0.247 nan 8.290 nan 0.000 0.536 89 A N 0.946 123.818 122.820 0.087 0.000 2.280 89 A HA 0.681 4.997 4.320 -0.006 0.000 0.320 89 A C -0.934 176.736 177.584 0.143 0.000 1.366 89 A CA -0.295 51.826 52.037 0.140 0.000 0.938 89 A CB 0.887 19.944 19.000 0.096 0.000 1.157 89 A HN 0.195 nan 8.150 nan 0.000 0.536 90 V N 4.267 124.300 119.914 0.198 0.000 2.540 90 V HA 0.437 4.554 4.120 -0.006 0.000 0.302 90 V C -0.361 175.868 176.094 0.224 0.000 1.035 90 V CA -0.310 62.085 62.300 0.159 0.000 0.873 90 V CB 1.684 33.566 31.823 0.099 0.000 0.992 90 V HN 0.740 nan 8.190 nan 0.000 0.428 91 I N 3.958 124.625 120.570 0.162 0.000 2.355 91 I HA 0.827 4.993 4.170 -0.006 0.000 0.288 91 I C 0.123 176.306 176.117 0.111 0.000 0.999 91 I CA -0.387 61.005 61.300 0.155 0.000 1.163 91 I CB 1.656 39.725 38.000 0.116 0.000 1.316 91 I HN 0.718 nan 8.210 nan 0.000 0.454 92 A N 5.139 128.020 122.820 0.102 0.000 2.486 92 A HA 0.979 5.295 4.320 -0.006 0.000 0.300 92 A C -1.165 176.453 177.584 0.057 0.000 1.048 92 A CA -0.484 51.596 52.037 0.072 0.000 0.696 92 A CB 1.894 20.932 19.000 0.064 0.000 1.278 92 A HN 0.853 nan 8.150 nan 0.000 0.405 93 A N 0.401 123.247 122.820 0.044 0.000 2.594 93 A HA 0.878 5.194 4.320 -0.006 0.000 0.295 93 A C -0.494 177.112 177.584 0.037 0.000 1.071 93 A CA 0.059 52.111 52.037 0.025 0.000 0.685 93 A CB 1.213 20.206 19.000 -0.012 0.000 1.285 93 A HN 2.466 nan 8.150 nan 0.000 0.405 94 A N 1.276 124.122 122.820 0.044 0.000 2.256 94 A HA 0.745 5.061 4.320 -0.006 0.000 0.317 94 A C -0.263 177.350 177.584 0.048 0.000 1.318 94 A CA -0.196 51.901 52.037 0.100 0.000 0.894 94 A CB -0.058 19.024 19.000 0.136 0.000 1.165 94 A HN 1.098 nan 8.150 nan 0.000 0.525 95 T N 1.555 116.115 114.554 0.010 0.000 3.143 95 T HA 0.605 4.952 4.350 -0.006 0.000 0.312 95 T C -0.175 174.411 174.700 -0.190 0.000 0.986 95 T CA -0.031 61.984 62.100 -0.143 0.000 1.024 95 T CB 1.404 70.048 68.868 -0.373 0.000 1.030 95 T HN 1.115 nan 8.240 nan 0.000 0.448 96 A N 1.873 124.489 122.820 -0.339 0.000 2.269 96 A HA 0.904 5.220 4.320 -0.006 0.000 0.319 96 A C 1.613 179.069 177.584 -0.214 0.000 1.110 96 A CA -0.199 51.510 52.037 -0.547 0.000 0.847 96 A CB 0.323 18.553 19.000 -1.283 0.000 1.161 96 A HN 1.063 nan 8.150 nan 0.000 0.497 97 A N 0.567 123.290 122.820 -0.162 0.000 1.948 97 A HA 0.034 4.350 4.320 -0.006 0.000 0.220 97 A C 1.916 179.511 177.584 0.018 0.000 1.177 97 A CA 2.304 54.330 52.037 -0.019 0.000 0.636 97 A CB -0.991 17.987 19.000 -0.037 0.000 0.815 97 A HN 1.504 nan 8.150 nan 0.000 0.449 98 G N -1.412 107.354 108.800 -0.056 0.000 2.985 98 G HA2 0.258 4.214 3.960 -0.006 0.000 0.209 98 G HA3 0.258 4.214 3.960 -0.006 0.000 0.209 98 G C 0.539 175.457 174.900 0.030 0.000 1.165 98 G CA 0.585 45.677 45.100 -0.013 0.000 0.776 98 G HN 0.375 nan 8.290 nan 0.000 0.541 99 T N 1.679 116.270 114.554 0.061 0.000 2.928 99 T HA 0.287 4.634 4.350 -0.006 0.000 0.305 99 T C 0.305 175.155 174.700 0.250 0.000 1.035 99 T CA 0.151 62.353 62.100 0.171 0.000 1.145 99 T CB 1.191 70.181 68.868 0.203 0.000 0.963 99 T HN -0.024 nan 8.240 nan 0.000 0.545 100 L N 3.542 124.856 121.223 0.152 0.000 2.334 100 L HA 0.412 4.748 4.340 -0.006 0.000 0.277 100 L C 0.952 177.823 176.870 0.002 0.000 1.075 100 L CA -0.808 54.055 54.840 0.039 0.000 0.804 100 L CB 0.855 42.925 42.059 0.018 0.000 1.174 100 L HN 0.545 nan 8.230 nan 0.000 0.438 101 K N 0.933 121.193 120.400 -0.234 0.000 2.440 101 K HA 0.232 4.548 4.320 -0.006 0.000 0.252 101 K C 1.137 177.665 176.600 -0.120 0.000 1.044 101 K CA -0.557 55.553 56.287 -0.296 0.000 0.962 101 K CB 0.525 32.663 32.500 -0.604 0.000 1.269 101 K HN 0.496 nan 8.250 nan 0.000 0.505 102 S N 1.541 117.181 115.700 -0.100 0.000 2.368 102 S HA -0.149 4.318 4.470 -0.006 0.000 0.225 102 S C 1.211 175.776 174.600 -0.059 0.000 1.030 102 S CA 1.910 60.081 58.200 -0.048 0.000 0.999 102 S CB -0.425 62.758 63.200 -0.030 0.000 0.844 102 S HN 0.692 nan 8.310 nan 0.000 0.459 103 D N 0.310 120.655 120.400 -0.092 0.000 2.363 103 D HA 0.196 4.832 4.640 -0.006 0.000 0.226 103 D C 1.252 177.509 176.300 -0.071 0.000 1.020 103 D CA 0.773 54.726 54.000 -0.077 0.000 0.892 103 D CB -0.736 40.011 40.800 -0.089 0.000 0.900 103 D HN 0.416 nan 8.370 nan 0.000 0.531 104 G N -0.135 108.618 108.800 -0.077 0.000 2.176 104 G HA2 -0.274 3.682 3.960 -0.006 0.000 0.253 104 G HA3 -0.274 3.682 3.960 -0.006 0.000 0.253 104 G C 0.372 175.229 174.900 -0.071 0.000 0.979 104 G CA 0.399 45.464 45.100 -0.058 0.000 0.641 104 G HN 0.844 nan 8.290 nan 0.000 0.530 105 S N -0.412 115.220 115.700 -0.114 0.000 2.632 105 S HA 0.711 5.177 4.470 -0.006 0.000 0.271 105 S C 0.211 174.718 174.600 -0.155 0.000 1.260 105 S CA -0.453 57.676 58.200 -0.118 0.000 1.010 105 S CB 1.856 64.977 63.200 -0.130 0.000 0.965 105 S HN 0.429 nan 8.310 nan 0.000 0.534 106 K N 0.637 120.980 120.400 -0.094 0.000 2.237 106 K HA 0.130 4.446 4.320 -0.006 0.000 0.270 106 K C 0.139 176.699 176.600 -0.066 0.000 1.015 106 K CA -0.276 55.983 56.287 -0.047 0.000 0.949 106 K CB 0.462 32.968 32.500 0.011 0.000 0.976 106 K HN 0.779 nan 8.250 nan 0.000 0.472 107 W N 1.533 122.828 121.300 -0.008 0.000 2.363 107 W HA -0.102 4.553 4.660 -0.008 0.000 0.296 107 W C 1.125 177.648 176.519 0.007 0.000 1.212 107 W CA 1.674 59.020 57.345 0.002 0.000 1.260 107 W CB -0.191 29.266 29.460 -0.004 0.000 1.131 107 W HN 0.960 nan 8.180 nan 0.000 0.530 108 G N -0.555 108.374 108.800 0.215 0.000 2.829 108 G HA2 -0.280 3.676 3.960 -0.006 0.000 0.628 108 G HA3 -0.280 3.676 3.960 -0.006 0.000 0.628 108 G C 0.417 175.392 174.900 0.125 0.000 1.412 108 G CA -0.228 44.952 45.100 0.133 0.000 0.864 108 G HN 0.041 nan 8.290 nan 0.000 0.544 109 T N 1.055 115.659 114.554 0.083 0.000 2.643 109 T HA 0.076 4.422 4.350 -0.006 0.000 0.264 109 T C 2.981 177.740 174.700 0.098 0.000 1.045 109 T CA 3.172 65.304 62.100 0.053 0.000 1.155 109 T CB -0.691 68.175 68.868 -0.004 0.000 0.863 109 T HN 1.687 nan 8.240 nan 0.000 0.420 110 A N 1.514 124.409 122.820 0.125 0.000 1.892 110 A HA 0.002 4.318 4.320 -0.006 0.000 0.218 110 A C 2.615 180.268 177.584 0.116 0.000 1.188 110 A CA 2.041 54.071 52.037 -0.011 0.000 0.631 110 A CB -1.461 17.570 19.000 0.051 0.000 0.822 110 A HN 0.539 nan 8.150 nan 0.000 0.447 111 G N -0.537 108.385 108.800 0.203 0.000 2.498 111 G HA2 -0.084 3.872 3.960 -0.006 0.000 0.219 111 G HA3 -0.084 3.872 3.960 -0.006 0.000 0.219 111 G C 1.689 176.688 174.900 0.164 0.000 1.119 111 G CA 1.496 46.787 45.100 0.318 0.000 0.766 111 G HN 0.919 nan 8.290 nan 0.000 0.552 112 S N -0.593 115.147 115.700 0.066 0.000 2.562 112 S HA 0.197 4.663 4.470 -0.006 0.000 0.221 112 S C 1.243 175.785 174.600 -0.097 0.000 0.975 112 S CA 0.445 58.590 58.200 -0.092 0.000 0.918 112 S CB -0.036 63.134 63.200 -0.050 0.000 0.772 112 S HN 0.141 nan 8.310 nan 0.000 0.531 113 S N 1.308 117.009 115.700 0.001 0.000 2.549 113 S HA 0.198 4.665 4.470 -0.006 0.000 0.283 113 S C 1.188 175.785 174.600 -0.005 0.000 1.320 113 S CA -0.108 58.124 58.200 0.055 0.000 1.058 113 S CB 0.492 63.798 63.200 0.177 0.000 0.882 113 S HN 0.506 nan 8.310 nan 0.000 0.498 114 T N 5.207 119.770 114.554 0.014 0.000 2.737 114 T HA 0.114 4.460 4.350 -0.006 0.000 0.265 114 T C 0.541 175.249 174.700 0.014 0.000 1.038 114 T CA 1.056 63.157 62.100 0.001 0.000 1.144 114 T CB -0.102 68.783 68.868 0.029 0.000 0.866 114 T HN 0.586 nan 8.240 nan 0.000 0.434 115 I N 1.180 121.774 120.570 0.039 0.000 2.436 115 I HA 0.293 4.459 4.170 -0.006 0.000 0.289 115 I C -0.786 175.342 176.117 0.018 0.000 1.010 115 I CA -0.554 60.756 61.300 0.017 0.000 1.098 115 I CB 2.384 40.401 38.000 0.029 0.000 1.266 115 I HN -0.069 nan 8.210 nan 0.000 0.434 116 T N 6.549 121.080 114.554 -0.039 0.000 2.786 116 T HA 0.500 4.846 4.350 -0.006 0.000 0.283 116 T C -0.193 174.374 174.700 -0.220 0.000 0.992 116 T CA -0.387 61.663 62.100 -0.084 0.000 0.954 116 T CB 1.144 69.995 68.868 -0.028 0.000 0.934 116 T HN 0.171 nan 8.240 nan 0.000 0.440 117 I N 3.289 123.685 120.570 -0.290 0.000 2.306 117 I HA 0.309 4.476 4.170 -0.006 0.000 0.288 117 I C 0.537 176.466 176.117 -0.313 0.000 1.036 117 I CA -0.329 60.762 61.300 -0.348 0.000 1.221 117 I CB 0.836 38.641 38.000 -0.326 0.000 1.385 117 I HN 0.568 nan 8.210 nan 0.000 0.472 118 S N 4.835 120.378 115.700 -0.262 0.000 2.592 118 S HA 0.659 5.126 4.470 -0.006 0.000 0.243 118 S C 0.278 174.780 174.600 -0.163 0.000 1.160 118 S CA -0.404 57.665 58.200 -0.218 0.000 1.145 118 S CB 0.726 63.812 63.200 -0.190 0.000 0.909 118 S HN 0.771 nan 8.310 nan 0.000 0.487 119 A N 1.287 124.012 122.820 -0.158 0.000 2.593 119 A HA 0.759 5.075 4.320 -0.006 0.000 0.290 119 A C -1.121 176.400 177.584 -0.105 0.000 1.126 119 A CA -0.912 51.056 52.037 -0.115 0.000 0.695 119 A CB 1.263 20.207 19.000 -0.094 0.000 1.290 119 A HN 0.273 nan 8.150 nan 0.000 0.414 120 K N 0.707 121.050 120.400 -0.095 0.000 2.095 120 K HA 0.467 4.783 4.320 -0.006 0.000 0.252 120 K C -0.972 175.572 176.600 -0.092 0.000 0.977 120 K CA -0.518 55.698 56.287 -0.118 0.000 0.900 120 K CB 0.556 32.981 32.500 -0.125 0.000 1.060 120 K HN 0.634 nan 8.250 nan 0.000 0.449 121 D N 0.994 121.315 120.400 -0.132 0.000 2.772 121 D HA -0.228 4.408 4.640 -0.006 0.000 0.233 121 D C -0.649 175.612 176.300 -0.065 0.000 1.143 121 D CA 0.908 54.870 54.000 -0.062 0.000 0.700 121 D CB -1.139 39.661 40.800 -0.001 0.000 1.076 121 D HN 0.329 nan 8.370 nan 0.000 0.430 122 F N 1.733 121.548 119.950 -0.225 0.000 2.399 122 F HA 0.360 4.879 4.527 -0.013 0.000 0.342 122 F C 0.595 176.245 175.800 -0.251 0.000 1.106 122 F CA -0.239 57.577 58.000 -0.306 0.000 1.196 122 F CB 0.989 39.840 39.000 -0.247 0.000 1.163 122 F HN -0.040 nan 8.300 nan 0.000 0.547 123 S N 4.459 119.458 115.700 -1.169 0.000 2.549 123 S HA 0.908 5.374 4.470 -0.006 0.000 0.280 123 S C -1.184 172.651 174.600 -1.275 0.000 1.109 123 S CA -0.584 57.060 58.200 -0.926 0.000 0.905 123 S CB 1.468 64.536 63.200 -0.221 0.000 1.081 123 S HN 1.143 nan 8.310 nan 0.000 0.477 124 A N 1.709 124.032 122.820 -0.828 0.000 2.371 124 A HA 0.826 5.142 4.320 -0.006 0.000 0.311 124 A C -0.734 176.717 177.584 -0.222 0.000 1.068 124 A CA -0.682 51.153 52.037 -0.338 0.000 0.744 124 A CB 1.787 20.870 19.000 0.139 0.000 1.239 124 A HN 0.898 nan 8.150 nan 0.000 0.435 125 Q N 1.093 120.809 119.800 -0.140 0.000 2.359 125 Q HA 0.540 4.876 4.340 -0.006 0.000 0.274 125 Q C -0.740 175.240 176.000 -0.033 0.000 1.074 125 Q CA -0.320 55.415 55.803 -0.114 0.000 0.810 125 Q CB 1.705 30.353 28.738 -0.150 0.000 1.342 125 Q HN 1.090 nan 8.270 nan 0.000 0.427 126 S N 1.307 117.001 115.700 -0.010 0.000 3.628 126 S HA -0.197 4.269 4.470 -0.006 0.000 0.373 126 S C -0.748 173.870 174.600 0.030 0.000 0.968 126 S CA 1.243 59.450 58.200 0.012 0.000 1.215 126 S CB -1.938 61.263 63.200 0.003 0.000 0.912 126 S HN 0.558 nan 8.310 nan 0.000 0.495 127 L N -3.539 117.718 121.223 0.055 0.000 2.568 127 L HA 0.949 5.285 4.340 -0.006 0.000 0.257 127 L C -0.336 176.589 176.870 0.091 0.000 1.024 127 L CA -0.779 54.105 54.840 0.072 0.000 0.854 127 L CB 1.450 43.553 42.059 0.074 0.000 1.460 127 L HN -0.047 nan 8.230 nan 0.000 0.409 128 T N 1.809 116.416 114.554 0.089 0.000 2.824 128 T HA 0.792 5.138 4.350 -0.006 0.000 0.280 128 T C -0.357 174.401 174.700 0.095 0.000 0.995 128 T CA -0.034 62.115 62.100 0.083 0.000 1.009 128 T CB 1.038 69.942 68.868 0.059 0.000 0.955 128 T HN 0.524 nan 8.240 nan 0.000 0.452 129 I N 3.399 124.024 120.570 0.092 0.000 2.418 129 I HA 0.480 4.647 4.170 -0.006 0.000 0.287 129 I C 0.111 176.266 176.117 0.063 0.000 1.008 129 I CA -0.811 60.544 61.300 0.091 0.000 1.104 129 I CB 1.438 39.505 38.000 0.112 0.000 1.264 129 I HN 0.325 nan 8.210 nan 0.000 0.438 130 R N 3.893 124.428 120.500 0.059 0.000 2.670 130 R HA 0.425 4.761 4.340 -0.006 0.000 0.289 130 R C -0.773 175.560 176.300 0.056 0.000 0.965 130 R CA -1.013 55.113 56.100 0.043 0.000 0.899 130 R CB 2.103 32.426 30.300 0.038 0.000 1.173 130 R HN 0.458 nan 8.270 nan 0.000 0.456 131 N N 1.595 120.333 118.700 0.064 0.000 2.437 131 N HA 0.072 4.809 4.740 -0.006 0.000 0.259 131 N C -0.746 174.846 175.510 0.137 0.000 0.983 131 N CA -0.127 52.981 53.050 0.097 0.000 0.937 131 N CB 1.333 39.888 38.487 0.113 0.000 1.122 131 N HN 0.501 nan 8.380 nan 0.000 0.499 132 D N 2.161 122.644 120.400 0.137 0.000 2.325 132 D HA 0.003 4.639 4.640 -0.006 0.000 0.225 132 D C 0.026 176.441 176.300 0.192 0.000 1.096 132 D CA -0.113 53.971 54.000 0.140 0.000 0.844 132 D CB -0.330 40.525 40.800 0.091 0.000 0.925 132 D HN 0.455 nan 8.370 nan 0.000 0.513 133 F N 2.245 122.258 119.950 0.105 0.000 2.593 133 F HA -0.045 4.478 4.527 -0.006 0.000 0.393 133 F C 0.734 176.627 175.800 0.154 0.000 1.037 133 F CA -0.430 57.636 58.000 0.110 0.000 1.195 133 F CB 0.463 39.529 39.000 0.109 0.000 1.034 133 F HN -0.241 nan 8.300 nan 0.000 0.552 134 D N 7.205 127.272 120.400 -0.556 0.000 2.551 134 D HA -0.061 4.575 4.640 -0.006 0.000 0.223 134 D C 1.152 176.910 176.300 -0.902 0.000 1.144 134 D CA -0.005 53.698 54.000 -0.496 0.000 1.025 134 D CB -0.520 40.104 40.800 -0.294 0.000 1.085 134 D HN 0.604 nan 8.370 nan 0.000 0.506 135 F N 4.037 123.350 119.950 -1.061 0.000 2.065 135 F HA -0.128 4.396 4.527 -0.005 0.000 0.298 135 F C -1.064 174.350 175.800 -0.642 0.000 1.112 135 F CA 1.281 58.754 58.000 -0.878 0.000 1.212 135 F CB -0.853 37.719 39.000 -0.713 0.000 0.975 135 F HN 0.294 nan 8.300 nan 0.000 0.476 136 P HA -0.148 nan 4.420 nan 0.000 0.217 136 P C 1.510 178.578 177.300 -0.387 0.000 1.150 136 P CA 2.346 65.179 63.100 -0.444 0.000 0.832 136 P CB -0.354 31.207 31.700 -0.233 0.000 0.787 137 A N -0.422 122.190 122.820 -0.346 0.000 1.930 137 A HA -0.246 4.071 4.320 -0.006 0.000 0.217 137 A C 2.274 179.688 177.584 -0.283 0.000 1.175 137 A CA 2.130 54.013 52.037 -0.257 0.000 0.627 137 A CB -1.829 17.048 19.000 -0.204 0.000 0.815 137 A HN 0.172 nan 8.150 nan 0.000 0.443 138 N N -0.498 117.962 118.700 -0.400 0.000 2.069 138 N HA -0.195 4.541 4.740 -0.006 0.000 0.191 138 N C 1.874 177.199 175.510 -0.309 0.000 1.031 138 N CA 1.836 54.698 53.050 -0.314 0.000 0.852 138 N CB -0.177 38.126 38.487 -0.307 0.000 1.018 138 N HN 0.393 nan 8.380 nan 0.000 0.423 139 Q N -0.293 119.214 119.800 -0.488 0.000 2.224 139 Q HA 0.016 4.353 4.340 -0.006 0.000 0.203 139 Q C 1.861 177.713 176.000 -0.245 0.000 0.970 139 Q CA 1.232 56.787 55.803 -0.414 0.000 0.865 139 Q CB -0.427 27.957 28.738 -0.591 0.000 0.922 139 Q HN 0.546 nan 8.270 nan 0.000 0.445 140 A N 0.926 123.613 122.820 -0.222 0.000 2.167 140 A HA -0.050 4.266 4.320 -0.006 0.000 0.214 140 A C 0.840 178.360 177.584 -0.107 0.000 1.151 140 A CA 0.225 52.177 52.037 -0.141 0.000 0.735 140 A CB -0.077 18.849 19.000 -0.123 0.000 0.802 140 A HN 0.125 nan 8.150 nan 0.000 0.467 141 K N 1.279 121.611 120.400 -0.113 0.000 2.414 141 K HA 0.235 4.551 4.320 -0.006 0.000 0.272 141 K C 0.019 176.583 176.600 -0.061 0.000 0.993 141 K CA -0.163 56.078 56.287 -0.076 0.000 0.964 141 K CB 0.413 32.872 32.500 -0.068 0.000 0.925 141 K HN 0.241 nan 8.250 nan 0.000 0.487 142 S N 2.162 117.836 115.700 -0.043 0.000 2.568 142 S HA -0.042 4.424 4.470 -0.006 0.000 0.282 142 S C 0.620 175.202 174.600 -0.029 0.000 1.338 142 S CA -0.546 57.635 58.200 -0.033 0.000 1.045 142 S CB 0.551 63.737 63.200 -0.024 0.000 0.873 142 S HN 0.525 nan 8.310 nan 0.000 0.516 143 D N 1.944 122.328 120.400 -0.026 0.000 2.182 143 D HA -0.096 4.540 4.640 -0.006 0.000 0.201 143 D C 1.973 178.265 176.300 -0.013 0.000 0.986 143 D CA 1.514 55.501 54.000 -0.020 0.000 0.847 143 D CB -0.329 40.461 40.800 -0.017 0.000 0.942 143 D HN 0.616 nan 8.370 nan 0.000 0.467 144 S N -0.333 115.360 115.700 -0.012 0.000 2.562 144 S HA -0.078 4.388 4.470 -0.006 0.000 0.221 144 S C 0.686 175.282 174.600 -0.006 0.000 0.975 144 S CA -0.291 57.904 58.200 -0.007 0.000 0.918 144 S CB 0.116 63.312 63.200 -0.006 0.000 0.772 144 S HN -0.041 nan 8.310 nan 0.000 0.531 145 D N 3.102 123.497 120.400 -0.009 0.000 2.363 145 D HA 0.109 4.745 4.640 -0.006 0.000 0.263 145 D C 1.315 177.616 176.300 0.001 0.000 1.258 145 D CA 0.425 54.421 54.000 -0.006 0.000 0.907 145 D CB 1.245 42.037 40.800 -0.012 0.000 1.107 145 D HN 0.366 nan 8.370 nan 0.000 0.495 146 S N 1.790 117.493 115.700 0.005 0.000 2.469 146 S HA -0.193 4.274 4.470 -0.006 0.000 0.238 146 S C 1.707 176.317 174.600 0.017 0.000 0.998 146 S CA 1.060 59.266 58.200 0.010 0.000 0.957 146 S CB -0.238 62.968 63.200 0.010 0.000 0.764 146 S HN 0.410 nan 8.310 nan 0.000 0.514 147 S N 0.303 116.014 115.700 0.019 0.000 2.558 147 S HA 0.191 4.657 4.470 -0.006 0.000 0.217 147 S C 0.524 175.148 174.600 0.040 0.000 0.975 147 S CA -0.395 57.824 58.200 0.032 0.000 0.912 147 S CB -0.457 62.761 63.200 0.030 0.000 0.776 147 S HN 0.532 nan 8.310 nan 0.000 0.526 148 K N 1.760 122.173 120.400 0.023 0.000 2.378 148 K HA 0.282 4.598 4.320 -0.006 0.000 0.288 148 K C -0.766 175.858 176.600 0.040 0.000 1.057 148 K CA -0.296 56.003 56.287 0.020 0.000 0.971 148 K CB 0.171 32.666 32.500 -0.010 0.000 0.975 148 K HN 0.363 nan 8.250 nan 0.000 0.475 149 I N 5.335 125.953 120.570 0.081 0.000 2.395 149 I HA 0.023 4.189 4.170 -0.006 0.000 0.289 149 I C 1.095 177.251 176.117 0.064 0.000 1.023 149 I CA -0.077 61.270 61.300 0.079 0.000 1.350 149 I CB 1.359 39.422 38.000 0.105 0.000 1.409 149 I HN 0.684 nan 8.210 nan 0.000 0.507 150 K N 2.671 123.094 120.400 0.038 0.000 2.166 150 K HA 0.021 4.337 4.320 -0.006 0.000 0.201 150 K C -0.191 176.431 176.600 0.038 0.000 1.052 150 K CA 0.572 56.880 56.287 0.036 0.000 0.969 150 K CB 0.215 32.729 32.500 0.024 0.000 0.761 150 K HN 0.534 nan 8.250 nan 0.000 0.459 151 D N 1.555 121.961 120.400 0.011 0.000 2.517 151 D HA -0.001 4.636 4.640 -0.006 0.000 0.220 151 D C 0.407 176.674 176.300 -0.055 0.000 1.158 151 D CA 0.311 54.302 54.000 -0.015 0.000 0.992 151 D CB 0.981 41.769 40.800 -0.021 0.000 1.058 151 D HN 0.201 nan 8.370 nan 0.000 0.516 152 T N -1.857 112.710 114.554 0.022 0.000 3.107 152 T HA -0.070 4.276 4.350 -0.006 0.000 0.249 152 T C 0.875 175.597 174.700 0.037 0.000 1.096 152 T CA -0.548 61.618 62.100 0.110 0.000 1.012 152 T CB 0.005 69.164 68.868 0.486 0.000 0.977 152 T HN 0.191 nan 8.240 nan 0.000 0.527 153 Q N 1.734 121.490 119.800 -0.074 0.000 2.330 153 Q HA 0.474 4.810 4.340 -0.006 0.000 0.279 153 Q C -0.584 175.348 176.000 -0.112 0.000 1.024 153 Q CA -0.151 55.581 55.803 -0.119 0.000 0.900 153 Q CB 0.485 29.098 28.738 -0.208 0.000 1.221 153 Q HN 0.368 nan 8.270 nan 0.000 0.396 154 A N 3.033 125.836 122.820 -0.028 0.000 2.768 154 A HA 0.431 4.747 4.320 -0.006 0.000 0.298 154 A C -0.755 176.873 177.584 0.073 0.000 1.159 154 A CA -0.756 51.288 52.037 0.011 0.000 0.783 154 A CB 0.799 19.871 19.000 0.120 0.000 1.333 154 A HN 0.448 nan 8.150 nan 0.000 0.412 155 V N 2.070 122.027 119.914 0.071 0.000 2.555 155 V HA 0.363 4.480 4.120 -0.006 0.000 0.286 155 V C 1.499 177.660 176.094 0.111 0.000 1.044 155 V CA 0.798 63.179 62.300 0.135 0.000 1.026 155 V CB 1.039 32.974 31.823 0.187 0.000 0.981 155 V HN 1.036 nan 8.190 nan 0.000 0.480 156 A N 4.904 127.795 122.820 0.117 0.000 1.878 156 A HA 0.311 4.627 4.320 -0.006 0.000 0.213 156 A C 0.534 178.179 177.584 0.101 0.000 1.192 156 A CA 0.854 52.946 52.037 0.091 0.000 0.619 156 A CB 0.031 19.072 19.000 0.069 0.000 0.837 156 A HN 0.622 nan 8.150 nan 0.000 0.446 157 L N -1.452 119.845 121.223 0.124 0.000 2.410 157 L HA 0.622 4.958 4.340 -0.006 0.000 0.270 157 L C -1.728 175.268 176.870 0.210 0.000 0.983 157 L CA -0.803 54.110 54.840 0.121 0.000 0.822 157 L CB 2.052 44.136 42.059 0.041 0.000 1.285 157 L HN 0.272 nan 8.230 nan 0.000 0.409 158 Y N 5.306 125.618 120.300 0.020 0.000 2.326 158 Y HA 0.667 5.215 4.550 -0.004 0.000 0.329 158 Y C -1.422 174.432 175.900 -0.077 0.000 0.973 158 Y CA -1.470 56.611 58.100 -0.032 0.000 1.162 158 Y CB 1.618 40.050 38.460 -0.046 0.000 1.147 158 Y HN 0.343 nan 8.280 nan 0.000 0.456 159 V N 6.966 126.858 119.914 -0.037 0.000 2.350 159 V HA 0.350 4.467 4.120 -0.006 0.000 0.276 159 V C 0.504 176.324 176.094 -0.457 0.000 1.028 159 V CA -0.284 61.904 62.300 -0.186 0.000 0.860 159 V CB 1.013 32.872 31.823 0.060 0.000 0.990 159 V HN 0.900 nan 8.190 nan 0.000 0.453 160 T N 1.952 116.109 114.554 -0.662 0.000 2.814 160 T HA 0.315 4.661 4.350 -0.006 0.000 0.284 160 T C 1.063 175.582 174.700 -0.301 0.000 0.998 160 T CA -0.574 61.110 62.100 -0.693 0.000 0.935 160 T CB 0.860 69.307 68.868 -0.702 0.000 1.167 160 T HN 0.523 nan 8.240 nan 0.000 0.545 161 K N 0.162 120.438 120.400 -0.207 0.000 2.281 161 K HA -0.039 4.277 4.320 -0.006 0.000 0.203 161 K C 2.095 178.623 176.600 -0.120 0.000 1.046 161 K CA 1.173 57.389 56.287 -0.118 0.000 0.938 161 K CB -0.224 32.230 32.500 -0.077 0.000 0.737 161 K HN 0.463 nan 8.250 nan 0.000 0.458 162 S N 0.328 115.937 115.700 -0.150 0.000 2.575 162 S HA 0.058 4.525 4.470 -0.006 0.000 0.215 162 S C 0.687 175.200 174.600 -0.146 0.000 0.966 162 S CA -0.164 57.956 58.200 -0.133 0.000 0.911 162 S CB 0.707 63.830 63.200 -0.130 0.000 0.780 162 S HN 0.347 nan 8.310 nan 0.000 0.514 163 G N 1.386 110.087 108.800 -0.165 0.000 2.325 163 G HA2 0.511 4.467 3.960 -0.006 0.000 0.298 163 G HA3 0.511 4.467 3.960 -0.006 0.000 0.298 163 G C -1.232 173.585 174.900 -0.139 0.000 1.134 163 G CA -0.157 44.852 45.100 -0.151 0.000 0.876 163 G HN 0.129 nan 8.290 nan 0.000 0.452 164 D N 0.494 120.788 120.400 -0.177 0.000 2.859 164 D HA 0.409 5.045 4.640 -0.006 0.000 0.223 164 D C 0.337 176.378 176.300 -0.431 0.000 1.218 164 D CA -0.646 53.204 54.000 -0.250 0.000 0.850 164 D CB 1.249 41.918 40.800 -0.219 0.000 1.656 164 D HN 0.467 nan 8.370 nan 0.000 0.484 165 R N 0.574 120.613 120.500 -0.768 0.000 3.261 165 R HA -0.069 4.267 4.340 -0.006 0.000 0.257 165 R C -1.006 174.831 176.300 -0.770 0.000 1.014 165 R CA 0.802 55.920 56.100 -1.637 0.000 0.681 165 R CB -2.093 27.228 30.300 -1.631 0.000 1.155 165 R HN 0.353 nan 8.270 nan 0.000 0.424 166 A N 1.425 124.052 122.820 -0.321 0.000 2.276 166 A HA 0.547 4.864 4.320 -0.006 0.000 0.316 166 A C -0.967 176.708 177.584 0.151 0.000 1.229 166 A CA -0.427 51.609 52.037 -0.001 0.000 0.851 166 A CB 0.682 19.777 19.000 0.159 0.000 1.165 166 A HN 0.331 nan 8.150 nan 0.000 0.513 167 Y N 2.677 122.822 120.300 -0.257 0.000 2.350 167 Y HA 0.671 5.220 4.550 -0.002 0.000 0.338 167 Y C -1.883 173.611 175.900 -0.677 0.000 0.961 167 Y CA -2.139 55.856 58.100 -0.175 0.000 1.100 167 Y CB 1.141 39.671 38.460 0.116 0.000 1.179 167 Y HN 0.520 nan 8.280 nan 0.000 0.454 168 F N 5.659 125.506 119.950 -0.173 0.000 2.445 168 F HA 0.462 4.981 4.527 -0.014 0.000 0.348 168 F C -0.223 175.390 175.800 -0.312 0.000 1.125 168 F CA -0.807 57.025 58.000 -0.279 0.000 0.983 168 F CB 1.657 40.524 39.000 -0.223 0.000 1.198 168 F HN 0.311 nan 8.300 nan 0.000 0.436 169 K N 2.252 122.472 120.400 -0.301 0.000 2.292 169 K HA 0.353 4.669 4.320 -0.006 0.000 0.257 169 K C -0.561 175.993 176.600 -0.076 0.000 0.940 169 K CA -0.497 55.649 56.287 -0.234 0.000 0.811 169 K CB 1.149 33.390 32.500 -0.431 0.000 1.120 169 K HN 0.583 nan 8.250 nan 0.000 0.428 170 D N 1.912 122.313 120.400 0.000 0.000 2.697 170 D HA -0.148 4.488 4.640 -0.006 0.000 0.238 170 D C -1.585 174.749 176.300 0.057 0.000 1.152 170 D CA 0.672 54.690 54.000 0.029 0.000 0.666 170 D CB -0.602 40.203 40.800 0.009 0.000 1.037 170 D HN 0.144 nan 8.370 nan 0.000 0.423 171 V N 0.621 120.600 119.914 0.108 0.000 2.628 171 V HA 0.664 4.780 4.120 -0.006 0.000 0.306 171 V C 0.327 176.501 176.094 0.133 0.000 1.045 171 V CA -0.408 61.980 62.300 0.147 0.000 0.905 171 V CB 2.015 33.991 31.823 0.255 0.000 0.997 171 V HN 0.272 nan 8.190 nan 0.000 0.436 172 S N 4.800 120.561 115.700 0.102 0.000 2.449 172 S HA 0.738 5.204 4.470 -0.006 0.000 0.310 172 S C -1.009 173.628 174.600 0.062 0.000 1.096 172 S CA -0.574 57.666 58.200 0.067 0.000 1.095 172 S CB 0.485 63.706 63.200 0.036 0.000 1.007 172 S HN 0.547 nan 8.310 nan 0.000 0.474 173 L N 5.007 126.254 121.223 0.039 0.000 2.305 173 L HA 0.654 4.990 4.340 -0.006 0.000 0.284 173 L C -0.955 175.894 176.870 -0.035 0.000 1.013 173 L CA -0.950 53.904 54.840 0.023 0.000 0.819 173 L CB 1.836 43.914 42.059 0.033 0.000 1.227 173 L HN 0.352 nan 8.230 nan 0.000 0.417 174 V N 2.376 122.265 119.914 -0.042 0.000 2.448 174 V HA 0.936 5.052 4.120 -0.006 0.000 0.295 174 V C 0.364 176.390 176.094 -0.113 0.000 1.025 174 V CA -0.216 62.016 62.300 -0.112 0.000 0.859 174 V CB 1.449 33.217 31.823 -0.093 0.000 0.988 174 V HN 0.986 nan 8.190 nan 0.000 0.431 175 G N 2.688 111.351 108.800 -0.229 0.000 2.490 175 G HA2 0.480 4.436 3.960 -0.006 0.000 0.308 175 G HA3 0.480 4.436 3.960 -0.006 0.000 0.308 175 G C -1.295 173.352 174.900 -0.421 0.000 1.286 175 G CA -0.179 44.812 45.100 -0.181 0.000 0.825 175 G HN 0.377 nan 8.290 nan 0.000 0.479 176 Y N -0.380 119.871 120.300 -0.082 0.000 3.052 176 Y HA 0.449 4.995 4.550 -0.006 0.000 0.176 176 Y C 1.375 177.149 175.900 -0.210 0.000 0.916 176 Y CA 0.134 58.111 58.100 -0.205 0.000 1.720 176 Y CB 0.011 38.288 38.460 -0.305 0.000 1.299 176 Y HN 0.452 nan 8.280 nan 0.000 0.428 177 Q N 1.444 121.196 119.800 -0.080 0.000 2.288 177 Q HA 0.134 4.470 4.340 -0.006 0.000 0.258 177 Q C -1.186 174.755 176.000 -0.098 0.000 0.957 177 Q CA 0.090 55.811 55.803 -0.137 0.000 0.919 177 Q CB 0.317 28.933 28.738 -0.204 0.000 1.185 177 Q HN 0.439 nan 8.270 nan 0.000 0.408 178 D N 2.699 123.004 120.400 -0.158 0.000 2.835 178 D HA -0.164 4.473 4.640 -0.006 0.000 0.230 178 D C 0.281 176.689 176.300 0.179 0.000 1.130 178 D CA 1.342 55.208 54.000 -0.223 0.000 0.738 178 D CB -1.257 39.207 40.800 -0.560 0.000 1.090 178 D HN 0.718 nan 8.370 nan 0.000 0.433 179 T N -0.811 113.857 114.554 0.190 0.000 2.635 179 T HA -0.159 4.187 4.350 -0.006 0.000 0.267 179 T C 0.972 175.803 174.700 0.218 0.000 1.040 179 T CA 0.926 63.128 62.100 0.171 0.000 1.156 179 T CB 0.126 69.061 68.868 0.112 0.000 0.863 179 T HN 0.247 nan 8.240 nan 0.000 0.430 180 L N 0.896 122.282 121.223 0.272 0.000 2.343 180 L HA 0.473 4.809 4.340 -0.006 0.000 0.278 180 L C -1.611 175.351 176.870 0.153 0.000 0.996 180 L CA -1.236 53.717 54.840 0.189 0.000 0.831 180 L CB 1.194 43.293 42.059 0.067 0.000 1.232 180 L HN 0.096 nan 8.230 nan 0.000 0.413 181 Y N 6.208 126.439 120.300 -0.115 0.000 2.417 181 Y HA 0.549 5.097 4.550 -0.004 0.000 0.336 181 Y C -0.767 175.070 175.900 -0.105 0.000 0.961 181 Y CA -1.641 56.117 58.100 -0.569 0.000 1.215 181 Y CB 1.192 39.346 38.460 -0.509 0.000 1.120 181 Y HN 0.398 nan 8.280 nan 0.000 0.499 182 V N 3.015 123.030 119.914 0.168 0.000 2.311 182 V HA 0.677 4.793 4.120 -0.006 0.000 0.275 182 V C 0.012 176.215 176.094 0.183 0.000 1.022 182 V CA -0.490 61.929 62.300 0.198 0.000 0.830 182 V CB 0.726 32.703 31.823 0.256 0.000 1.012 182 V HN 0.648 nan 8.190 nan 0.000 0.452 183 S N 3.637 119.391 115.700 0.091 0.000 2.726 183 S HA 0.934 5.401 4.470 -0.006 0.000 0.308 183 S C 0.883 175.494 174.600 0.017 0.000 1.115 183 S CA 0.741 58.981 58.200 0.067 0.000 0.965 183 S CB 1.442 64.650 63.200 0.012 0.000 1.145 183 S HN 2.401 nan 8.310 nan 0.000 0.532 184 G N 1.366 110.173 108.800 0.011 0.000 2.574 184 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.301 184 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.301 184 G C 0.695 175.599 174.900 0.006 0.000 1.166 184 G CA 0.474 45.565 45.100 -0.015 0.000 0.971 184 G HN 1.415 nan 8.290 nan 0.000 0.542 185 G N 0.120 108.909 108.800 -0.018 0.000 2.783 185 G HA2 0.561 4.517 3.960 -0.006 0.000 0.182 185 G HA3 0.561 4.517 3.960 -0.006 0.000 0.182 185 G C 0.069 174.984 174.900 0.025 0.000 1.516 185 G CA 0.168 45.257 45.100 -0.018 0.000 1.079 185 G HN 0.860 nan 8.290 nan 0.000 0.573 186 R N -0.253 120.237 120.500 -0.016 0.000 2.368 186 R HA 0.552 4.889 4.340 -0.006 0.000 0.302 186 R C -0.390 175.965 176.300 0.091 0.000 1.002 186 R CA -0.228 55.921 56.100 0.081 0.000 0.929 186 R CB 1.712 32.095 30.300 0.139 0.000 1.073 186 R HN 0.591 nan 8.270 nan 0.000 0.464 187 S N 1.606 117.469 115.700 0.272 0.000 2.570 187 S HA 0.694 5.160 4.470 -0.006 0.000 0.286 187 S C -1.233 173.618 174.600 0.417 0.000 1.099 187 S CA -0.878 57.522 58.200 0.334 0.000 0.913 187 S CB 1.533 64.930 63.200 0.328 0.000 1.085 187 S HN 0.463 nan 8.310 nan 0.000 0.480 188 F N 1.855 121.890 119.950 0.142 0.000 2.539 188 F HA 0.753 5.276 4.527 -0.007 0.000 0.318 188 F C -2.259 173.504 175.800 -0.062 0.000 1.135 188 F CA -1.806 56.212 58.000 0.030 0.000 0.915 188 F CB 1.160 40.085 39.000 -0.124 0.000 1.176 188 F HN 0.626 nan 8.300 nan 0.000 0.440 189 F N 3.880 123.561 119.950 -0.448 0.000 2.449 189 F HA 0.573 5.094 4.527 -0.009 0.000 0.342 189 F C 0.029 175.513 175.800 -0.526 0.000 1.127 189 F CA -0.744 57.080 58.000 -0.292 0.000 0.975 189 F CB 2.034 40.967 39.000 -0.112 0.000 1.146 189 F HN 0.420 nan 8.300 nan 0.000 0.444 190 S N 2.201 117.758 115.700 -0.239 0.000 2.557 190 S HA 0.466 4.932 4.470 -0.006 0.000 0.291 190 S C -1.008 173.597 174.600 0.008 0.000 1.116 190 S CA -0.706 57.370 58.200 -0.206 0.000 0.992 190 S CB 0.670 63.720 63.200 -0.251 0.000 1.028 190 S HN 0.687 nan 8.310 nan 0.000 0.484 191 D N 1.402 121.838 120.400 0.059 0.000 2.689 191 D HA -0.138 4.498 4.640 -0.006 0.000 0.237 191 D C 0.209 176.559 176.300 0.084 0.000 1.148 191 D CA 1.262 55.306 54.000 0.072 0.000 0.656 191 D CB -2.319 38.516 40.800 0.057 0.000 1.050 191 D HN 0.735 nan 8.370 nan 0.000 0.426 192 c N -1.120 117.551 118.600 0.118 0.000 2.486 192 c HA 0.826 5.392 4.570 -0.006 0.000 0.348 192 c C 0.317 174.471 174.090 0.107 0.000 1.203 192 c CA -1.101 55.313 56.329 0.142 0.000 1.911 192 c CB 2.491 45.148 42.510 0.245 0.000 2.340 192 c HN 0.406 nan 8.230 nan 0.000 0.511 193 R N 1.629 122.180 120.500 0.085 0.000 2.534 193 R HA 0.807 5.143 4.340 -0.006 0.000 0.301 193 R C -1.607 174.710 176.300 0.028 0.000 0.961 193 R CA -0.584 55.539 56.100 0.039 0.000 0.871 193 R CB 1.052 31.356 30.300 0.008 0.000 1.170 193 R HN 0.917 nan 8.270 nan 0.000 0.446 194 I N 3.226 123.800 120.570 0.005 0.000 2.478 194 I HA 0.237 4.404 4.170 -0.006 0.000 0.287 194 I C -0.417 175.609 176.117 -0.152 0.000 1.042 194 I CA -0.663 60.630 61.300 -0.012 0.000 1.067 194 I CB 2.221 40.260 38.000 0.064 0.000 1.233 194 I HN 0.655 nan 8.210 nan 0.000 0.431 195 S N 3.996 119.498 115.700 -0.329 0.000 2.568 195 S HA 1.023 5.489 4.470 -0.006 0.000 0.302 195 S C -0.321 173.703 174.600 -0.960 0.000 1.082 195 S CA -0.457 57.355 58.200 -0.647 0.000 1.009 195 S CB 2.562 65.497 63.200 -0.441 0.000 1.069 195 S HN 1.064 nan 8.310 nan 0.000 0.500 196 G N 0.272 108.268 108.800 -1.338 0.000 2.317 196 G HA2 0.471 4.427 3.960 -0.006 0.000 0.293 196 G HA3 0.471 4.427 3.960 -0.006 0.000 0.293 196 G C -0.129 174.470 174.900 -0.501 0.000 1.287 196 G CA 0.152 44.694 45.100 -0.930 0.000 0.850 196 G HN 1.321 nan 8.290 nan 0.000 0.515 197 T N -3.569 111.001 114.554 0.028 0.000 3.463 197 T HA 0.452 4.798 4.350 -0.006 0.000 0.203 197 T C 0.353 175.248 174.700 0.325 0.000 0.955 197 T CA 0.684 62.932 62.100 0.247 0.000 1.230 197 T CB -0.059 68.814 68.868 0.008 0.000 1.392 197 T HN 0.952 nan 8.240 nan 0.000 0.361 198 V N 3.478 123.452 119.914 0.099 0.000 2.385 198 V HA 0.363 4.479 4.120 -0.006 0.000 0.269 198 V C -0.671 175.461 176.094 0.063 0.000 1.043 198 V CA -0.215 62.149 62.300 0.107 0.000 0.906 198 V CB 0.404 32.236 31.823 0.015 0.000 0.995 198 V HN 0.748 nan 8.190 nan 0.000 0.467 199 D N 3.530 123.990 120.400 0.100 0.000 2.699 199 D HA -0.259 4.377 4.640 -0.006 0.000 0.239 199 D C 0.573 176.835 176.300 -0.064 0.000 1.136 199 D CA 1.272 55.218 54.000 -0.090 0.000 0.668 199 D CB -1.080 39.501 40.800 -0.366 0.000 1.060 199 D HN 0.733 nan 8.370 nan 0.000 0.429 200 F N -1.236 118.715 119.950 0.002 0.000 2.748 200 F HA 0.245 4.769 4.527 -0.005 0.000 0.299 200 F C 0.610 176.454 175.800 0.073 0.000 1.154 200 F CA -0.213 57.794 58.000 0.012 0.000 1.446 200 F CB 0.093 39.077 39.000 -0.027 0.000 1.112 200 F HN 0.032 nan 8.300 nan 0.000 0.584 201 I N 2.331 122.837 120.570 -0.107 0.000 2.439 201 I HA 0.365 4.531 4.170 -0.006 0.000 0.283 201 I C -1.114 175.098 176.117 0.159 0.000 1.023 201 I CA -0.955 60.342 61.300 -0.005 0.000 1.100 201 I CB 1.496 39.330 38.000 -0.277 0.000 1.238 201 I HN 0.074 nan 8.210 nan 0.000 0.445 202 F N 4.123 124.071 119.950 -0.004 0.000 2.645 202 F HA 0.999 5.527 4.527 0.002 0.000 0.310 202 F C -0.087 175.856 175.800 0.239 0.000 1.102 202 F CA -0.955 57.061 58.000 0.028 0.000 0.952 202 F CB 1.498 40.354 39.000 -0.240 0.000 1.326 202 F HN 0.683 nan 8.300 nan 0.000 0.456 203 G N 1.400 110.417 108.800 0.361 0.000 2.343 203 G HA2 0.132 4.088 3.960 -0.006 0.000 0.465 203 G HA3 0.132 4.088 3.960 -0.006 0.000 0.465 203 G C -1.054 174.037 174.900 0.319 0.000 1.282 203 G CA -0.169 45.187 45.100 0.426 0.000 0.996 203 G HN 1.267 nan 8.290 nan 0.000 0.521 204 D N -0.135 120.410 120.400 0.242 0.000 2.398 204 D HA 0.278 4.915 4.640 -0.006 0.000 0.210 204 D C 1.165 177.545 176.300 0.134 0.000 1.094 204 D CA 0.648 54.732 54.000 0.139 0.000 0.839 204 D CB 0.379 41.217 40.800 0.063 0.000 0.963 204 D HN 0.874 nan 8.370 nan 0.000 0.506 205 G N 0.341 109.238 108.800 0.162 0.000 2.634 205 G HA2 0.287 4.243 3.960 -0.006 0.000 0.255 205 G HA3 0.287 4.243 3.960 -0.006 0.000 0.255 205 G C -0.219 174.792 174.900 0.184 0.000 1.205 205 G CA -0.229 44.962 45.100 0.152 0.000 0.884 205 G HN 0.034 nan 8.290 nan 0.000 0.549 206 T N 0.857 115.520 114.554 0.180 0.000 2.747 206 T HA 0.539 4.885 4.350 -0.006 0.000 0.301 206 T C 0.190 175.029 174.700 0.230 0.000 0.952 206 T CA 0.124 62.355 62.100 0.219 0.000 0.983 206 T CB 0.819 69.812 68.868 0.208 0.000 0.930 206 T HN 0.807 nan 8.240 nan 0.000 0.494 207 A N 4.046 127.017 122.820 0.252 0.000 2.332 207 A HA 0.723 5.039 4.320 -0.006 0.000 0.300 207 A C -0.832 176.822 177.584 0.116 0.000 1.153 207 A CA -0.733 51.425 52.037 0.202 0.000 0.764 207 A CB 0.769 19.922 19.000 0.256 0.000 1.174 207 A HN 0.694 nan 8.150 nan 0.000 0.467 208 L N 2.777 124.046 121.223 0.076 0.000 2.307 208 L HA 0.854 5.190 4.340 -0.006 0.000 0.284 208 L C -1.627 175.263 176.870 0.033 0.000 1.023 208 L CA -0.382 54.568 54.840 0.184 0.000 0.810 208 L CB 0.638 42.872 42.059 0.292 0.000 1.231 208 L HN 0.513 nan 8.230 nan 0.000 0.423 209 F N 4.532 124.668 119.950 0.309 0.000 2.477 209 F HA 0.489 5.017 4.527 0.002 0.000 0.335 209 F C 0.182 176.100 175.800 0.197 0.000 1.130 209 F CA -0.548 57.583 58.000 0.218 0.000 0.948 209 F CB 1.450 40.511 39.000 0.102 0.000 1.154 209 F HN 0.518 nan 8.300 nan 0.000 0.439 210 N N 2.493 121.363 118.700 0.282 0.000 2.296 210 N HA 0.193 4.929 4.740 -0.006 0.000 0.294 210 N C -0.503 175.118 175.510 0.185 0.000 1.033 210 N CA -0.340 52.866 53.050 0.259 0.000 0.839 210 N CB 1.237 39.930 38.487 0.343 0.000 1.395 210 N HN 0.750 nan 8.380 nan 0.000 0.479 211 N N 1.729 120.537 118.700 0.181 0.000 2.738 211 N HA -0.175 4.561 4.740 -0.006 0.000 0.249 211 N C -1.591 173.998 175.510 0.131 0.000 1.047 211 N CA 0.495 53.631 53.050 0.144 0.000 0.707 211 N CB -1.610 36.952 38.487 0.125 0.000 0.937 211 N HN 0.430 nan 8.380 nan 0.000 0.545 212 c N 0.229 118.919 118.600 0.150 0.000 2.397 212 c HA 0.489 5.055 4.570 -0.006 0.000 0.343 212 c C 0.062 174.207 174.090 0.092 0.000 1.188 212 c CA -0.888 55.523 56.329 0.136 0.000 1.992 212 c CB 1.314 43.940 42.510 0.194 0.000 2.358 212 c HN 0.395 nan 8.230 nan 0.000 0.518 213 D N 2.347 122.786 120.400 0.065 0.000 2.317 213 D HA 0.433 5.069 4.640 -0.006 0.000 0.234 213 D C -0.570 175.746 176.300 0.026 0.000 1.112 213 D CA 0.172 54.191 54.000 0.031 0.000 0.840 213 D CB 0.797 41.601 40.800 0.007 0.000 1.078 213 D HN 0.346 nan 8.370 nan 0.000 0.486 214 L N 2.527 123.772 121.223 0.037 0.000 2.262 214 L HA 0.400 4.737 4.340 -0.006 0.000 0.288 214 L C -0.405 176.495 176.870 0.050 0.000 1.035 214 L CA -0.943 53.956 54.840 0.099 0.000 0.820 214 L CB 1.308 43.443 42.059 0.126 0.000 1.204 214 L HN -0.017 nan 8.230 nan 0.000 0.424 215 V N 2.203 122.063 119.914 -0.091 0.000 2.311 215 V HA 0.226 4.342 4.120 -0.006 0.000 0.275 215 V C 0.400 176.230 176.094 -0.440 0.000 1.022 215 V CA -0.350 61.803 62.300 -0.247 0.000 0.830 215 V CB 1.330 33.004 31.823 -0.249 0.000 1.012 215 V HN 0.739 nan 8.190 nan 0.000 0.452 216 S N 5.911 121.349 115.700 -0.437 0.000 2.499 216 S HA 0.452 4.918 4.470 -0.006 0.000 0.275 216 S C 0.258 174.561 174.600 -0.494 0.000 1.257 216 S CA -0.540 57.241 58.200 -0.698 0.000 1.050 216 S CB 0.412 62.827 63.200 -1.308 0.000 0.937 216 S HN 0.638 nan 8.310 nan 0.000 0.490 217 R N 1.401 121.753 120.500 -0.247 0.000 2.536 217 R HA 0.283 4.619 4.340 -0.006 0.000 0.279 217 R C -0.575 175.832 176.300 0.179 0.000 1.001 217 R CA -0.758 55.317 56.100 -0.042 0.000 1.027 217 R CB 0.745 31.003 30.300 -0.071 0.000 1.096 217 R HN 0.628 nan 8.270 nan 0.000 0.502 218 Y N 2.010 122.351 120.300 0.068 0.000 2.511 218 Y HA 0.004 4.550 4.550 -0.006 0.000 0.332 218 Y C -0.245 175.744 175.900 0.148 0.000 1.177 218 Y CA 0.188 58.348 58.100 0.101 0.000 1.422 218 Y CB 0.613 39.105 38.460 0.053 0.000 1.271 218 Y HN 0.239 nan 8.280 nan 0.000 0.550 219 R N 5.811 125.944 120.500 -0.612 0.000 2.272 219 R HA 0.379 4.715 4.340 -0.006 0.000 0.323 219 R C 0.491 176.309 176.300 -0.803 0.000 1.002 219 R CA 0.185 56.006 56.100 -0.464 0.000 0.900 219 R CB 1.153 31.337 30.300 -0.194 0.000 1.151 219 R HN 0.917 nan 8.270 nan 0.000 0.507 220 A N 2.355 124.798 122.820 -0.628 0.000 2.067 220 A HA -0.151 4.165 4.320 -0.006 0.000 0.219 220 A C 1.252 178.738 177.584 -0.164 0.000 1.158 220 A CA 1.451 53.302 52.037 -0.311 0.000 0.661 220 A CB -0.036 18.971 19.000 0.011 0.000 0.801 220 A HN 0.668 nan 8.150 nan 0.000 0.452 221 D N -0.863 119.445 120.400 -0.153 0.000 2.339 221 D HA 0.091 4.727 4.640 -0.006 0.000 0.217 221 D C -0.022 176.233 176.300 -0.074 0.000 1.050 221 D CA 0.104 54.044 54.000 -0.100 0.000 0.856 221 D CB -0.114 40.617 40.800 -0.115 0.000 0.922 221 D HN 0.132 nan 8.370 nan 0.000 0.518 222 V N 1.296 121.151 119.914 -0.099 0.000 2.398 222 V HA 0.157 4.273 4.120 -0.006 0.000 0.286 222 V C 0.496 176.553 176.094 -0.061 0.000 1.026 222 V CA -0.985 61.270 62.300 -0.075 0.000 0.868 222 V CB 1.645 33.410 31.823 -0.096 0.000 0.982 222 V HN -0.062 nan 8.190 nan 0.000 0.443 223 K N 2.269 122.646 120.400 -0.038 0.000 2.414 223 K HA 0.160 4.476 4.320 -0.006 0.000 0.272 223 K C 0.606 177.194 176.600 -0.020 0.000 0.993 223 K CA 0.024 56.297 56.287 -0.023 0.000 0.964 223 K CB 0.471 32.961 32.500 -0.018 0.000 0.925 223 K HN 0.657 nan 8.250 nan 0.000 0.487 224 S N 0.835 116.532 115.700 -0.006 0.000 2.575 224 S HA 0.147 4.614 4.470 -0.006 0.000 0.295 224 S C 1.173 175.765 174.600 -0.013 0.000 1.267 224 S CA 1.175 59.375 58.200 0.000 0.000 1.074 224 S CB -0.290 62.916 63.200 0.010 0.000 0.829 224 S HN 0.834 nan 8.310 nan 0.000 0.497 225 G N 4.402 113.191 108.800 -0.019 0.000 2.213 225 G HA2 -0.207 3.749 3.960 -0.006 0.000 0.236 225 G HA3 -0.207 3.749 3.960 -0.006 0.000 0.236 225 G C 0.037 174.903 174.900 -0.057 0.000 0.991 225 G CA -0.066 45.012 45.100 -0.036 0.000 0.629 225 G HN 0.652 nan 8.290 nan 0.000 0.517 226 N N -0.257 118.411 118.700 -0.053 0.000 2.482 226 N HA 0.585 5.322 4.740 -0.006 0.000 0.279 226 N C 0.274 175.729 175.510 -0.092 0.000 1.182 226 N CA -0.378 52.633 53.050 -0.065 0.000 0.969 226 N CB 1.609 40.070 38.487 -0.043 0.000 1.201 226 N HN 0.102 nan 8.380 nan 0.000 0.523 227 V N 1.144 120.993 119.914 -0.108 0.000 2.555 227 V HA 0.061 4.177 4.120 -0.006 0.000 0.286 227 V C 1.249 177.179 176.094 -0.273 0.000 1.044 227 V CA 0.202 62.397 62.300 -0.176 0.000 1.026 227 V CB 1.097 32.830 31.823 -0.150 0.000 0.981 227 V HN 0.692 nan 8.190 nan 0.000 0.480 228 S N 2.654 118.104 115.700 -0.416 0.000 2.425 228 S HA 0.334 4.800 4.470 -0.006 0.000 0.225 228 S C 0.707 174.817 174.600 -0.816 0.000 1.024 228 S CA 0.853 58.746 58.200 -0.513 0.000 0.951 228 S CB 0.311 63.279 63.200 -0.388 0.000 0.796 228 S HN 1.120 nan 8.310 nan 0.000 0.498 229 G N -0.656 107.340 108.800 -1.339 0.000 2.341 229 G HA2 0.524 4.480 3.960 -0.006 0.000 0.299 229 G HA3 0.524 4.480 3.960 -0.006 0.000 0.299 229 G C -2.399 171.810 174.900 -1.152 0.000 1.274 229 G CA -0.823 43.612 45.100 -1.108 0.000 0.853 229 G HN 0.152 nan 8.290 nan 0.000 0.493 230 Y N -0.597 119.713 120.300 0.016 0.000 2.396 230 Y HA 0.483 5.029 4.550 -0.006 0.000 0.332 230 Y C 0.799 176.670 175.900 -0.047 0.000 1.034 230 Y CA -0.861 57.247 58.100 0.012 0.000 1.057 230 Y CB 1.952 40.400 38.460 -0.020 0.000 1.220 230 Y HN 0.368 nan 8.280 nan 0.000 0.440 231 L N 1.360 122.550 121.223 -0.055 0.000 2.046 231 L HA -0.044 4.292 4.340 -0.006 0.000 0.208 231 L C 1.160 177.685 176.870 -0.576 0.000 1.077 231 L CA 1.764 56.258 54.840 -0.576 0.000 0.747 231 L CB -0.428 41.422 42.059 -0.347 0.000 0.896 231 L HN 0.827 nan 8.230 nan 0.000 0.432 232 T N -3.546 110.892 114.554 -0.193 0.000 2.906 232 T HA 0.789 5.135 4.350 -0.006 0.000 0.295 232 T C -0.571 174.152 174.700 0.039 0.000 1.061 232 T CA -0.338 61.706 62.100 -0.093 0.000 1.000 232 T CB 2.296 71.137 68.868 -0.045 0.000 1.103 232 T HN 0.071 nan 8.240 nan 0.000 0.486 233 A N 3.239 126.129 122.820 0.117 0.000 3.127 233 A HA 0.638 4.954 4.320 -0.006 0.000 0.319 233 A C -2.956 174.849 177.584 0.368 0.000 1.104 233 A CA -1.459 50.702 52.037 0.207 0.000 0.802 233 A CB 0.550 19.580 19.000 0.050 0.000 1.193 233 A HN 0.679 nan 8.150 nan 0.000 0.479 234 P HA 0.189 nan 4.420 nan 0.000 0.275 234 P C 0.401 177.868 177.300 0.278 0.000 1.227 234 P CA 0.060 63.355 63.100 0.324 0.000 0.781 234 P CB 1.519 33.397 31.700 0.295 0.000 0.906 235 S N -0.561 115.263 115.700 0.207 0.000 2.754 235 S HA 0.112 4.578 4.470 -0.006 0.000 0.247 235 S C 0.250 174.794 174.600 -0.093 0.000 1.031 235 S CA -0.402 57.766 58.200 -0.054 0.000 1.014 235 S CB -1.064 62.006 63.200 -0.217 0.000 0.918 235 S HN 0.367 nan 8.310 nan 0.000 0.519 236 T N 4.080 118.634 114.554 0.000 0.000 2.866 236 T HA 0.001 4.347 4.350 -0.006 0.000 0.293 236 T C 0.298 174.964 174.700 -0.057 0.000 1.005 236 T CA 0.026 62.132 62.100 0.011 0.000 1.162 236 T CB -0.076 68.831 68.868 0.066 0.000 0.968 236 T HN 0.534 nan 8.240 nan 0.000 0.530 237 N N 1.906 120.578 118.700 -0.046 0.000 2.407 237 N HA -0.054 4.682 4.740 -0.006 0.000 0.250 237 N C 1.242 176.727 175.510 -0.043 0.000 1.236 237 N CA -0.463 52.553 53.050 -0.056 0.000 0.879 237 N CB 0.409 38.876 38.487 -0.033 0.000 1.088 237 N HN 0.533 nan 8.380 nan 0.000 0.450 238 I N 3.601 124.142 120.570 -0.048 0.000 2.423 238 I HA -0.232 3.934 4.170 -0.006 0.000 0.254 238 I C 1.388 177.487 176.117 -0.031 0.000 1.151 238 I CA 1.366 62.644 61.300 -0.037 0.000 1.421 238 I CB -0.339 37.644 38.000 -0.029 0.000 1.079 238 I HN 0.564 nan 8.210 nan 0.000 0.431 239 N N 0.343 119.026 118.700 -0.027 0.000 2.412 239 N HA -0.047 4.689 4.740 -0.006 0.000 0.184 239 N C 0.579 176.069 175.510 -0.034 0.000 1.101 239 N CA 0.172 53.205 53.050 -0.029 0.000 0.881 239 N CB -0.080 38.395 38.487 -0.020 0.000 0.969 239 N HN 0.564 nan 8.380 nan 0.000 0.459 240 Q N 0.998 120.782 119.800 -0.027 0.000 2.279 240 Q HA 0.092 4.428 4.340 -0.006 0.000 0.256 240 Q C 0.846 176.810 176.000 -0.060 0.000 0.937 240 Q CA -0.301 55.490 55.803 -0.020 0.000 0.933 240 Q CB 1.326 30.073 28.738 0.015 0.000 1.189 240 Q HN -0.193 nan 8.270 nan 0.000 0.417 241 K N 3.040 123.364 120.400 -0.125 0.000 2.057 241 K HA -0.069 4.247 4.320 -0.006 0.000 0.206 241 K C -0.640 175.653 176.600 -0.512 0.000 1.050 241 K CA 1.560 57.619 56.287 -0.379 0.000 0.935 241 K CB 0.231 32.419 32.500 -0.520 0.000 0.715 241 K HN 0.547 nan 8.250 nan 0.000 0.439 242 Y N -1.406 118.938 120.300 0.073 0.000 2.425 242 Y HA 0.502 5.034 4.550 -0.030 0.000 0.344 242 Y C 0.816 176.805 175.900 0.148 0.000 0.969 242 Y CA -0.713 57.467 58.100 0.134 0.000 1.052 242 Y CB 2.269 40.804 38.460 0.125 0.000 1.215 242 Y HN 0.024 nan 8.280 nan 0.000 0.451 243 G N 1.784 110.789 108.800 0.341 0.000 3.157 243 G HA2 0.396 4.352 3.960 -0.006 0.000 0.206 243 G HA3 0.396 4.352 3.960 -0.006 0.000 0.206 243 G C -0.760 174.320 174.900 0.300 0.000 1.903 243 G CA -0.753 44.510 45.100 0.271 0.000 0.771 243 G HN 0.437 nan 8.290 nan 0.000 0.750 244 L N 1.527 122.917 121.223 0.278 0.000 2.260 244 L HA 0.532 4.869 4.340 -0.006 0.000 0.289 244 L C -0.919 176.087 176.870 0.227 0.000 1.057 244 L CA -0.583 54.430 54.840 0.288 0.000 0.811 244 L CB 1.584 43.766 42.059 0.205 0.000 1.184 244 L HN -0.044 nan 8.230 nan 0.000 0.429 245 V N 5.260 125.352 119.914 0.297 0.000 2.407 245 V HA 0.429 4.545 4.120 -0.006 0.000 0.291 245 V C -0.188 176.057 176.094 0.252 0.000 1.018 245 V CA -0.332 62.099 62.300 0.218 0.000 0.842 245 V CB 1.964 33.953 31.823 0.276 0.000 0.996 245 V HN 0.481 nan 8.190 nan 0.000 0.426 246 I N 4.792 125.387 120.570 0.040 0.000 2.355 246 I HA 0.582 4.748 4.170 -0.006 0.000 0.288 246 I C 0.351 176.565 176.117 0.162 0.000 0.999 246 I CA 0.090 61.437 61.300 0.079 0.000 1.163 246 I CB 2.147 39.993 38.000 -0.256 0.000 1.316 246 I HN 0.765 nan 8.210 nan 0.000 0.454 247 T N 0.976 115.672 114.554 0.237 0.000 2.876 247 T HA 0.475 4.821 4.350 -0.006 0.000 0.289 247 T C 0.029 174.868 174.700 0.231 0.000 1.014 247 T CA -0.875 61.365 62.100 0.233 0.000 0.986 247 T CB 0.985 69.986 68.868 0.222 0.000 1.021 247 T HN 0.654 nan 8.240 nan 0.000 0.458 248 N N 0.724 119.562 118.700 0.228 0.000 2.727 248 N HA -0.161 4.575 4.740 -0.006 0.000 0.249 248 N C -0.258 175.368 175.510 0.194 0.000 1.048 248 N CA 0.810 53.988 53.050 0.214 0.000 0.714 248 N CB -1.097 37.502 38.487 0.186 0.000 0.959 248 N HN 0.624 nan 8.380 nan 0.000 0.544 249 S N -0.431 115.381 115.700 0.186 0.000 2.798 249 S HA 0.677 5.143 4.470 -0.006 0.000 0.312 249 S C 0.092 174.739 174.600 0.078 0.000 1.122 249 S CA -0.829 57.458 58.200 0.143 0.000 0.949 249 S CB 1.804 65.101 63.200 0.160 0.000 1.235 249 S HN 0.214 nan 8.310 nan 0.000 0.552 250 R N 0.677 121.204 120.500 0.044 0.000 2.483 250 R HA 0.517 4.854 4.340 -0.006 0.000 0.303 250 R C -1.758 174.530 176.300 -0.020 0.000 0.987 250 R CA -0.408 55.679 56.100 -0.021 0.000 0.881 250 R CB 1.711 32.006 30.300 -0.008 0.000 1.177 250 R HN 0.286 nan 8.270 nan 0.000 0.451 251 V N 6.080 125.954 119.914 -0.065 0.000 2.334 251 V HA 0.375 4.492 4.120 -0.006 0.000 0.267 251 V C 0.185 176.300 176.094 0.035 0.000 1.040 251 V CA -0.343 61.933 62.300 -0.040 0.000 0.866 251 V CB 0.425 32.144 31.823 -0.173 0.000 1.019 251 V HN 0.608 nan 8.190 nan 0.000 0.468 252 I N 3.103 123.676 120.570 0.006 0.000 2.892 252 I HA 0.795 4.961 4.170 -0.006 0.000 0.306 252 I C -0.098 175.778 176.117 -0.401 0.000 1.078 252 I CA -1.356 59.883 61.300 -0.101 0.000 1.032 252 I CB 2.210 40.147 38.000 -0.104 0.000 1.229 252 I HN 0.589 nan 8.210 nan 0.000 0.435 253 R N 2.231 122.392 120.500 -0.565 0.000 2.404 253 R HA 0.317 4.653 4.340 -0.006 0.000 0.291 253 R C 0.455 176.558 176.300 -0.327 0.000 1.025 253 R CA -0.582 55.132 56.100 -0.644 0.000 0.991 253 R CB 1.726 31.673 30.300 -0.588 0.000 1.053 253 R HN 0.887 nan 8.270 nan 0.000 0.479 254 E N 1.584 121.618 120.200 -0.276 0.000 2.110 254 E HA -0.139 4.207 4.350 -0.006 0.000 0.193 254 E C -0.284 176.239 176.600 -0.128 0.000 0.988 254 E CA 1.305 57.600 56.400 -0.175 0.000 0.804 254 E CB 0.282 29.900 29.700 -0.136 0.000 0.745 254 E HN 0.741 nan 8.360 nan 0.000 0.458 255 S N -1.393 114.234 115.700 -0.121 0.000 2.615 255 S HA 0.170 4.636 4.470 -0.006 0.000 0.269 255 S C -0.249 174.294 174.600 -0.096 0.000 1.161 255 S CA -0.695 57.441 58.200 -0.106 0.000 0.817 255 S CB 1.197 64.325 63.200 -0.121 0.000 1.131 255 S HN -0.027 nan 8.310 nan 0.000 0.467 256 D N 1.399 121.747 120.400 -0.087 0.000 2.351 256 D HA 0.035 4.671 4.640 -0.006 0.000 0.216 256 D C 1.404 177.675 176.300 -0.048 0.000 0.968 256 D CA 1.059 55.022 54.000 -0.062 0.000 0.899 256 D CB -0.254 40.512 40.800 -0.056 0.000 0.907 256 D HN 0.477 nan 8.370 nan 0.000 0.514 257 S N -0.253 115.394 115.700 -0.088 0.000 2.522 257 S HA 0.010 4.477 4.470 -0.006 0.000 0.227 257 S C 0.975 175.664 174.600 0.148 0.000 0.986 257 S CA -0.091 58.063 58.200 -0.077 0.000 0.929 257 S CB 0.502 63.448 63.200 -0.423 0.000 0.769 257 S HN 0.035 nan 8.310 nan 0.000 0.529 258 V N 4.768 124.767 119.914 0.141 0.000 2.421 258 V HA 0.134 4.250 4.120 -0.006 0.000 0.271 258 V C -2.190 173.994 176.094 0.149 0.000 1.031 258 V CA -1.574 60.845 62.300 0.197 0.000 1.032 258 V CB -0.157 31.703 31.823 0.062 0.000 1.009 258 V HN 0.161 nan 8.190 nan 0.000 0.477 259 P HA 0.224 nan 4.420 nan 0.000 0.270 259 P C -0.153 177.235 177.300 0.147 0.000 1.223 259 P CA -0.163 63.016 63.100 0.131 0.000 0.785 259 P CB 0.530 32.297 31.700 0.111 0.000 0.923 260 A N 2.353 125.236 122.820 0.106 0.000 2.498 260 A HA 0.087 4.403 4.320 -0.006 0.000 0.239 260 A C 0.441 178.093 177.584 0.114 0.000 1.068 260 A CA 0.001 52.100 52.037 0.103 0.000 0.766 260 A CB -0.722 18.315 19.000 0.061 0.000 1.003 260 A HN 0.665 nan 8.150 nan 0.000 0.497 261 K N 0.395 120.874 120.400 0.132 0.000 3.096 261 K HA -0.183 4.133 4.320 -0.006 0.000 0.266 261 K C 0.807 177.568 176.600 0.268 0.000 1.043 261 K CA 0.890 57.294 56.287 0.194 0.000 0.758 261 K CB -2.001 30.565 32.500 0.110 0.000 1.260 261 K HN 1.011 nan 8.250 nan 0.000 0.481 262 S N -1.672 114.201 115.700 0.288 0.000 2.512 262 S HA 0.104 4.570 4.470 -0.006 0.000 0.216 262 S C 0.148 174.830 174.600 0.137 0.000 1.006 262 S CA -0.266 58.056 58.200 0.204 0.000 0.915 262 S CB 0.201 63.510 63.200 0.181 0.000 0.824 262 S HN 0.319 nan 8.310 nan 0.000 0.497 263 Y N 1.513 121.856 120.300 0.071 0.000 2.376 263 Y HA 0.682 5.227 4.550 -0.007 0.000 0.340 263 Y C 0.695 176.122 175.900 -0.788 0.000 0.965 263 Y CA -0.723 57.250 58.100 -0.212 0.000 1.078 263 Y CB 1.750 40.151 38.460 -0.098 0.000 1.193 263 Y HN 0.234 nan 8.280 nan 0.000 0.452 264 G N 2.907 111.326 108.800 -0.635 0.000 2.420 264 G HA2 0.359 4.316 3.960 -0.006 0.000 0.284 264 G HA3 0.359 4.316 3.960 -0.006 0.000 0.284 264 G C 0.526 175.171 174.900 -0.425 0.000 1.177 264 G CA -0.536 44.125 45.100 -0.732 0.000 0.841 264 G HN 0.848 nan 8.290 nan 0.000 0.527 265 L N 1.013 121.833 121.223 -0.671 0.000 2.141 265 L HA 0.205 4.541 4.340 -0.006 0.000 0.209 265 L C 1.489 178.191 176.870 -0.280 0.000 1.094 265 L CA 1.249 55.658 54.840 -0.719 0.000 0.763 265 L CB -0.336 40.772 42.059 -1.585 0.000 0.908 265 L HN 0.689 nan 8.230 nan 0.000 0.437 266 G N -0.335 108.408 108.800 -0.095 0.000 2.519 266 G HA2 0.513 4.469 3.960 -0.006 0.000 0.292 266 G HA3 0.513 4.469 3.960 -0.006 0.000 0.292 266 G C -1.642 173.314 174.900 0.094 0.000 1.507 266 G CA -0.845 44.272 45.100 0.028 0.000 0.806 266 G HN 0.110 nan 8.290 nan 0.000 0.523 267 R N 0.062 120.650 120.500 0.146 0.000 2.771 267 R HA 0.761 5.098 4.340 -0.006 0.000 0.274 267 R C -3.118 173.471 176.300 0.481 0.000 0.987 267 R CA -2.000 54.287 56.100 0.311 0.000 0.908 267 R CB 2.696 32.980 30.300 -0.025 0.000 1.213 267 R HN 0.313 nan 8.270 nan 0.000 0.468 268 P HA 0.065 nan 4.420 nan 0.000 0.286 268 P C -1.359 176.190 177.300 0.416 0.000 1.321 268 P CA -0.247 63.118 63.100 0.441 0.000 0.790 268 P CB 0.239 32.132 31.700 0.322 0.000 0.897 269 W N 6.197 127.560 121.300 0.105 0.000 2.358 269 W HA 0.191 4.846 4.660 -0.009 0.000 0.307 269 W C -0.493 175.955 176.519 -0.117 0.000 1.203 269 W CA -0.184 57.187 57.345 0.043 0.000 1.279 269 W CB -0.043 29.451 29.460 0.058 0.000 1.264 269 W HN 0.449 nan 8.180 nan 0.000 0.474 270 H N 7.822 126.654 119.070 -0.396 0.000 2.700 270 H HA 0.226 4.781 4.556 -0.002 0.000 0.269 270 H C -2.037 172.919 175.328 -0.619 0.000 1.222 270 H CA -1.679 53.984 56.048 -0.642 0.000 1.254 270 H CB 0.642 29.779 29.762 -1.040 0.000 1.413 270 H HN 0.051 nan 8.280 nan 0.000 0.507 271 P HA -0.042 nan 4.420 nan 0.000 0.268 271 P C 0.097 177.253 177.300 -0.239 0.000 1.205 271 P CA 0.001 62.624 63.100 -0.795 0.000 0.771 271 P CB 0.587 31.653 31.700 -1.057 0.000 0.858 272 T N 3.163 117.699 114.554 -0.029 0.000 2.871 272 T HA 0.206 4.553 4.350 -0.006 0.000 0.296 272 T C 0.200 174.828 174.700 -0.121 0.000 0.998 272 T CA 0.616 62.715 62.100 -0.002 0.000 1.162 272 T CB -0.599 68.311 68.868 0.070 0.000 0.947 272 T HN 0.346 nan 8.240 nan 0.000 0.536 273 T N 2.949 117.356 114.554 -0.244 0.000 2.916 273 T HA 0.333 4.680 4.350 -0.006 0.000 0.298 273 T C -0.003 174.264 174.700 -0.720 0.000 1.031 273 T CA -0.724 61.070 62.100 -0.511 0.000 0.993 273 T CB 1.640 70.083 68.868 -0.709 0.000 1.045 273 T HN 0.441 nan 8.240 nan 0.000 0.454 274 T N 3.763 117.960 114.554 -0.595 0.000 2.737 274 T HA 0.505 4.851 4.350 -0.006 0.000 0.296 274 T C -0.570 173.741 174.700 -0.649 0.000 0.922 274 T CA 0.061 61.889 62.100 -0.453 0.000 1.079 274 T CB -0.347 68.388 68.868 -0.221 0.000 0.892 274 T HN 0.274 nan 8.240 nan 0.000 0.514 275 F N 0.708 120.552 119.950 -0.177 0.000 2.572 275 F HA 0.355 4.877 4.527 -0.008 0.000 0.342 275 F C 1.953 177.744 175.800 -0.015 0.000 1.064 275 F CA -1.153 56.780 58.000 -0.111 0.000 1.008 275 F CB 0.848 39.755 39.000 -0.154 0.000 1.303 275 F HN 0.530 nan 8.300 nan 0.000 0.492 276 S N -0.592 115.251 115.700 0.239 0.000 2.400 276 S HA -0.190 4.276 4.470 -0.006 0.000 0.232 276 S C 0.865 175.560 174.600 0.159 0.000 1.025 276 S CA 1.538 59.826 58.200 0.148 0.000 0.993 276 S CB -0.602 62.667 63.200 0.115 0.000 0.808 276 S HN 0.734 nan 8.310 nan 0.000 0.478 277 D N 0.606 121.146 120.400 0.233 0.000 2.427 277 D HA 0.448 5.085 4.640 -0.006 0.000 0.224 277 D C 0.839 177.331 176.300 0.321 0.000 1.157 277 D CA 0.301 54.432 54.000 0.219 0.000 0.828 277 D CB -0.064 40.834 40.800 0.164 0.000 0.974 277 D HN 0.630 nan 8.370 nan 0.000 0.498 278 G N 0.251 109.248 108.800 0.328 0.000 2.353 278 G HA2 -0.027 3.929 3.960 -0.006 0.000 0.615 278 G HA3 -0.027 3.929 3.960 -0.006 0.000 0.615 278 G C -1.539 173.535 174.900 0.290 0.000 1.280 278 G CA -1.058 44.232 45.100 0.316 0.000 1.000 278 G HN 0.360 nan 8.290 nan 0.000 0.516 279 R N 0.444 121.091 120.500 0.245 0.000 2.310 279 R HA 0.727 5.063 4.340 -0.006 0.000 0.324 279 R C -0.445 175.993 176.300 0.230 0.000 0.955 279 R CA -0.765 55.384 56.100 0.082 0.000 0.830 279 R CB 0.596 30.915 30.300 0.031 0.000 1.154 279 R HN 1.087 nan 8.270 nan 0.000 0.458 280 Y N 0.431 120.840 120.300 0.181 0.000 2.788 280 Y HA 0.580 5.128 4.550 -0.004 0.000 0.335 280 Y C -1.208 174.827 175.900 0.225 0.000 1.287 280 Y CA -1.494 56.713 58.100 0.178 0.000 1.068 280 Y CB 0.461 39.018 38.460 0.162 0.000 1.340 280 Y HN 0.502 nan 8.280 nan 0.000 0.449 281 A N 1.656 124.725 122.820 0.414 0.000 2.524 281 A HA 0.164 4.480 4.320 -0.006 0.000 0.250 281 A C -0.191 177.595 177.584 0.337 0.000 1.078 281 A CA 0.352 52.574 52.037 0.309 0.000 0.761 281 A CB -0.442 18.804 19.000 0.411 0.000 1.012 281 A HN 0.620 nan 8.150 nan 0.000 0.500 282 D N 3.809 124.313 120.400 0.174 0.000 2.389 282 D HA 0.153 4.790 4.640 -0.006 0.000 0.263 282 D C -1.506 174.904 176.300 0.183 0.000 1.255 282 D CA -1.652 52.486 54.000 0.231 0.000 0.914 282 D CB 0.958 41.806 40.800 0.080 0.000 1.116 282 D HN 0.195 nan 8.370 nan 0.000 0.502 283 P HA -0.052 nan 4.420 nan 0.000 0.220 283 P C 0.527 177.912 177.300 0.141 0.000 1.148 283 P CA 0.704 63.921 63.100 0.195 0.000 0.803 283 P CB 0.314 32.080 31.700 0.110 0.000 0.782 284 N N -0.661 118.066 118.700 0.046 0.000 2.336 284 N HA 0.096 4.833 4.740 -0.006 0.000 0.189 284 N C 0.440 175.889 175.510 -0.102 0.000 1.113 284 N CA 0.096 53.141 53.050 -0.009 0.000 0.858 284 N CB 0.035 38.521 38.487 -0.001 0.000 0.970 284 N HN 0.021 nan 8.380 nan 0.000 0.471 285 A N 1.253 123.933 122.820 -0.233 0.000 2.990 285 A HA 0.321 4.637 4.320 -0.006 0.000 0.282 285 A C 0.217 177.380 177.584 -0.703 0.000 1.688 285 A CA -0.246 51.531 52.037 -0.434 0.000 1.391 285 A CB -1.013 17.667 19.000 -0.534 0.000 1.112 285 A HN 0.150 nan 8.150 nan 0.000 0.588 286 I N 2.725 123.089 120.570 -0.343 0.000 2.316 286 I HA 0.233 4.399 4.170 -0.006 0.000 0.286 286 I C 1.210 177.217 176.117 -0.183 0.000 1.107 286 I CA -0.245 60.904 61.300 -0.251 0.000 1.219 286 I CB 1.049 38.992 38.000 -0.095 0.000 1.455 286 I HN 0.578 nan 8.210 nan 0.000 0.498 287 G N 4.434 113.125 108.800 -0.183 0.000 2.554 287 G HA2 0.138 4.095 3.960 -0.006 0.000 0.238 287 G HA3 0.138 4.095 3.960 -0.006 0.000 0.238 287 G C -0.556 174.377 174.900 0.055 0.000 1.259 287 G CA -0.225 44.872 45.100 -0.006 0.000 0.843 287 G HN 0.598 nan 8.290 nan 0.000 0.582 288 Q N -0.056 119.844 119.800 0.167 0.000 2.331 288 Q HA 0.495 4.831 4.340 -0.006 0.000 0.267 288 Q C -1.188 174.991 176.000 0.298 0.000 1.006 288 Q CA -0.493 55.451 55.803 0.235 0.000 0.818 288 Q CB 1.507 30.385 28.738 0.233 0.000 1.276 288 Q HN 0.419 nan 8.270 nan 0.000 0.450 289 T N 3.009 117.764 114.554 0.335 0.000 2.881 289 T HA 0.459 4.805 4.350 -0.006 0.000 0.291 289 T C -1.114 173.715 174.700 0.214 0.000 0.990 289 T CA -0.417 61.804 62.100 0.201 0.000 0.976 289 T CB 1.356 70.332 68.868 0.180 0.000 0.970 289 T HN 0.373 nan 8.240 nan 0.000 0.438 290 V N 4.108 124.067 119.914 0.075 0.000 2.487 290 V HA 0.564 4.680 4.120 -0.006 0.000 0.298 290 V C -1.021 175.023 176.094 -0.084 0.000 1.028 290 V CA -0.919 61.425 62.300 0.074 0.000 0.860 290 V CB 1.320 33.032 31.823 -0.183 0.000 0.991 290 V HN 0.812 nan 8.190 nan 0.000 0.427 291 F N 5.286 125.352 119.950 0.194 0.000 2.427 291 F HA 0.732 5.259 4.527 0.001 0.000 0.346 291 F C -0.230 175.667 175.800 0.162 0.000 1.120 291 F CA -0.557 57.528 58.000 0.143 0.000 1.033 291 F CB 1.559 40.611 39.000 0.088 0.000 1.126 291 F HN 0.218 nan 8.300 nan 0.000 0.462 292 L N 3.012 124.427 121.223 0.319 0.000 2.385 292 L HA 0.420 4.756 4.340 -0.006 0.000 0.273 292 L C -0.129 176.936 176.870 0.325 0.000 0.990 292 L CA -0.871 54.175 54.840 0.342 0.000 0.821 292 L CB 1.674 43.904 42.059 0.285 0.000 1.279 292 L HN 0.604 nan 8.230 nan 0.000 0.412 293 N N 0.159 119.053 118.700 0.323 0.000 2.714 293 N HA -0.183 4.553 4.740 -0.006 0.000 0.252 293 N C -0.765 174.962 175.510 0.361 0.000 1.014 293 N CA 0.962 54.196 53.050 0.306 0.000 0.735 293 N CB -0.846 37.798 38.487 0.262 0.000 0.924 293 N HN 0.679 nan 8.380 nan 0.000 0.540 294 T N -0.140 114.577 114.554 0.271 0.000 2.807 294 T HA 0.494 4.841 4.350 -0.006 0.000 0.279 294 T C 0.312 174.833 174.700 -0.298 0.000 0.993 294 T CA -0.720 61.441 62.100 0.102 0.000 0.970 294 T CB 1.316 70.301 68.868 0.194 0.000 0.950 294 T HN 0.268 nan 8.240 nan 0.000 0.441 295 S N 3.599 118.927 115.700 -0.620 0.000 2.584 295 S HA 0.700 5.167 4.470 -0.006 0.000 0.273 295 S C -0.319 173.999 174.600 -0.470 0.000 1.311 295 S CA -0.793 56.815 58.200 -0.986 0.000 1.034 295 S CB 0.288 62.933 63.200 -0.924 0.000 0.939 295 S HN 0.655 nan 8.310 nan 0.000 0.513 296 M N 2.363 121.715 119.600 -0.414 0.000 2.271 296 M HA 0.351 4.827 4.480 -0.006 0.000 0.285 296 M C -0.966 175.208 176.300 -0.210 0.000 1.059 296 M CA -0.653 54.459 55.300 -0.313 0.000 0.940 296 M CB 2.117 34.476 32.600 -0.401 0.000 1.636 296 M HN 0.691 nan 8.290 nan 0.000 0.460 297 D N 1.390 121.740 120.400 -0.084 0.000 2.398 297 D HA 0.100 4.736 4.640 -0.006 0.000 0.247 297 D C 0.783 177.071 176.300 -0.020 0.000 1.227 297 D CA 0.250 54.263 54.000 0.021 0.000 0.980 297 D CB 0.859 41.749 40.800 0.149 0.000 1.106 297 D HN 0.710 nan 8.370 nan 0.000 0.493 298 N N 0.505 119.226 118.700 0.035 0.000 2.515 298 N HA -0.169 4.567 4.740 -0.006 0.000 0.191 298 N C 1.301 176.828 175.510 0.028 0.000 1.182 298 N CA 0.692 53.737 53.050 -0.008 0.000 0.879 298 N CB -0.542 37.950 38.487 0.008 0.000 0.984 298 N HN 0.476 nan 8.380 nan 0.000 0.453 299 H N -0.485 118.561 119.070 -0.041 0.000 2.491 299 H HA 0.052 4.604 4.556 -0.007 0.000 0.290 299 H C 0.151 175.487 175.328 0.013 0.000 1.050 299 H CA 0.041 56.098 56.048 0.015 0.000 1.309 299 H CB -0.139 29.625 29.762 0.003 0.000 1.392 299 H HN 0.095 nan 8.280 nan 0.000 0.554 300 I N 2.970 123.217 120.570 -0.538 0.000 2.471 300 I HA -0.087 4.080 4.170 -0.006 0.000 0.286 300 I C 0.967 176.913 176.117 -0.285 0.000 1.079 300 I CA -0.332 60.645 61.300 -0.538 0.000 1.398 300 I CB 0.301 37.898 38.000 -0.670 0.000 1.403 300 I HN 0.274 nan 8.210 nan 0.000 0.530 301 Y N 4.270 124.450 120.300 -0.201 0.000 2.481 301 Y HA 0.603 5.149 4.550 -0.005 0.000 0.258 301 Y C 0.927 176.733 175.900 -0.157 0.000 1.103 301 Y CA 0.002 58.019 58.100 -0.138 0.000 1.287 301 Y CB -0.056 38.358 38.460 -0.077 0.000 1.108 301 Y HN 0.661 nan 8.280 nan 0.000 0.529 302 G N -0.563 107.959 108.800 -0.463 0.000 2.236 302 G HA2 -0.062 3.894 3.960 -0.006 0.000 0.231 302 G HA3 -0.062 3.894 3.960 -0.006 0.000 0.231 302 G C -1.474 173.094 174.900 -0.554 0.000 1.334 302 G CA -0.857 43.992 45.100 -0.418 0.000 1.137 302 G HN 0.220 nan 8.290 nan 0.000 0.482 303 W N 0.395 121.698 121.300 0.005 0.000 2.367 303 W HA 0.743 5.398 4.660 -0.007 0.000 0.369 303 W C 0.084 176.750 176.519 0.245 0.000 1.276 303 W CA 0.015 57.385 57.345 0.042 0.000 1.415 303 W CB 1.234 30.771 29.460 0.128 0.000 1.306 303 W HN 0.601 nan 8.180 nan 0.000 0.669 304 D N -0.527 120.203 120.400 0.551 0.000 2.626 304 D HA 0.240 4.876 4.640 -0.006 0.000 0.278 304 D C -1.032 175.515 176.300 0.412 0.000 1.211 304 D CA -0.690 53.594 54.000 0.473 0.000 0.903 304 D CB 1.925 43.052 40.800 0.546 0.000 1.408 304 D HN 0.377 nan 8.370 nan 0.000 0.454 305 K N -0.045 120.554 120.400 0.332 0.000 2.109 305 K HA 0.704 5.021 4.320 -0.006 0.000 0.243 305 K C -0.471 176.369 176.600 0.399 0.000 1.006 305 K CA -0.739 55.767 56.287 0.365 0.000 0.917 305 K CB 1.993 34.682 32.500 0.314 0.000 1.081 305 K HN 0.413 nan 8.250 nan 0.000 0.468 306 M N 1.280 121.168 119.600 0.480 0.000 2.470 306 M HA 0.193 4.669 4.480 -0.006 0.000 0.285 306 M C -1.519 174.903 176.300 0.202 0.000 1.213 306 M CA -0.420 55.082 55.300 0.336 0.000 0.901 306 M CB 2.592 35.343 32.600 0.252 0.000 1.718 306 M HN 0.991 nan 8.290 nan 0.000 0.469 307 S N 2.071 117.607 115.700 -0.272 0.000 2.593 307 S HA 1.008 5.474 4.470 -0.006 0.000 0.297 307 S C -0.343 174.140 174.600 -0.195 0.000 1.112 307 S CA -0.187 57.584 58.200 -0.715 0.000 1.043 307 S CB 1.924 64.146 63.200 -1.631 0.000 1.054 307 S HN 0.961 nan 8.310 nan 0.000 0.516 308 G N 0.959 109.671 108.800 -0.147 0.000 2.827 308 G HA2 0.618 4.574 3.960 -0.006 0.000 0.296 308 G HA3 0.618 4.574 3.960 -0.006 0.000 0.296 308 G C -1.687 173.196 174.900 -0.029 0.000 1.362 308 G CA -0.920 44.222 45.100 0.070 0.000 0.809 308 G HN 0.605 nan 8.290 nan 0.000 0.522 309 K N 1.243 121.687 120.400 0.073 0.000 2.244 309 K HA 0.379 4.695 4.320 -0.006 0.000 0.260 309 K C -0.675 175.996 176.600 0.119 0.000 0.951 309 K CA -0.542 55.774 56.287 0.049 0.000 0.826 309 K CB 2.128 34.667 32.500 0.066 0.000 1.108 309 K HN 0.784 nan 8.250 nan 0.000 0.433 310 D N 0.664 121.080 120.400 0.027 0.000 2.478 310 D HA 0.037 4.673 4.640 -0.006 0.000 0.269 310 D C 0.831 177.053 176.300 -0.130 0.000 1.232 310 D CA -0.380 53.610 54.000 -0.016 0.000 1.059 310 D CB 0.565 41.304 40.800 -0.101 0.000 1.104 310 D HN 0.417 nan 8.370 nan 0.000 0.566 311 K N -0.926 119.171 120.400 -0.506 0.000 2.442 311 K HA -0.064 4.252 4.320 -0.006 0.000 0.198 311 K C 0.427 176.871 176.600 -0.261 0.000 1.044 311 K CA 0.817 56.661 56.287 -0.739 0.000 0.948 311 K CB -0.330 31.521 32.500 -1.081 0.000 0.762 311 K HN 0.183 nan 8.250 nan 0.000 0.472 312 N N 0.317 118.916 118.700 -0.168 0.000 2.254 312 N HA 0.055 4.791 4.740 -0.006 0.000 0.190 312 N C 0.813 176.297 175.510 -0.043 0.000 1.107 312 N CA 0.867 53.864 53.050 -0.088 0.000 0.869 312 N CB 1.247 39.684 38.487 -0.084 0.000 0.983 312 N HN 0.520 nan 8.380 nan 0.000 0.487 313 G N 0.930 109.712 108.800 -0.029 0.000 2.175 313 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.244 313 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.244 313 G C -0.166 174.724 174.900 -0.016 0.000 0.982 313 G CA -0.237 44.862 45.100 -0.002 0.000 0.641 313 G HN 0.375 nan 8.290 nan 0.000 0.527 314 N N 0.703 119.381 118.700 -0.038 0.000 2.515 314 N HA 0.520 5.256 4.740 -0.006 0.000 0.279 314 N C 0.355 175.822 175.510 -0.072 0.000 1.164 314 N CA 0.186 53.209 53.050 -0.046 0.000 0.982 314 N CB 0.640 39.097 38.487 -0.049 0.000 1.170 314 N HN 0.113 nan 8.380 nan 0.000 0.474 315 T N 1.423 115.928 114.554 -0.083 0.000 2.902 315 T HA 0.147 4.493 4.350 -0.006 0.000 0.301 315 T C 0.051 174.621 174.700 -0.216 0.000 1.012 315 T CA 0.277 62.277 62.100 -0.167 0.000 1.151 315 T CB -0.138 68.648 68.868 -0.138 0.000 0.946 315 T HN 0.319 nan 8.240 nan 0.000 0.542 316 I N 2.634 122.982 120.570 -0.369 0.000 2.545 316 I HA 0.527 4.693 4.170 -0.006 0.000 0.292 316 I C -1.554 174.105 176.117 -0.764 0.000 1.040 316 I CA -1.256 59.762 61.300 -0.470 0.000 1.068 316 I CB 1.475 39.187 38.000 -0.480 0.000 1.251 316 I HN 0.654 nan 8.210 nan 0.000 0.424 317 W N 6.694 127.687 121.300 -0.512 0.000 2.433 317 W HA 0.502 5.158 4.660 -0.006 0.000 0.315 317 W C -1.111 175.048 176.519 -0.601 0.000 1.087 317 W CA -0.316 56.781 57.345 -0.414 0.000 1.205 317 W CB 1.330 30.683 29.460 -0.178 0.000 1.288 317 W HN 0.181 nan 8.180 nan 0.000 0.504 318 F N 3.637 123.675 119.950 0.146 0.000 2.427 318 F HA 0.359 4.885 4.527 -0.002 0.000 0.346 318 F C 0.373 176.260 175.800 0.145 0.000 1.120 318 F CA -1.005 57.011 58.000 0.027 0.000 1.033 318 F CB 0.659 39.559 39.000 -0.166 0.000 1.126 318 F HN 0.197 nan 8.300 nan 0.000 0.462 319 N N 4.801 123.644 118.700 0.238 0.000 2.456 319 N HA 0.300 5.036 4.740 -0.006 0.000 0.296 319 N C -1.856 173.711 175.510 0.094 0.000 1.102 319 N CA -1.834 51.316 53.050 0.168 0.000 0.924 319 N CB 1.622 40.165 38.487 0.093 0.000 1.186 319 N HN 0.211 nan 8.380 nan 0.000 0.492 320 P HA -0.153 nan 4.420 nan 0.000 0.218 320 P C 0.901 178.096 177.300 -0.176 0.000 1.149 320 P CA 1.308 64.447 63.100 0.064 0.000 0.817 320 P CB 0.367 32.311 31.700 0.407 0.000 0.785 321 E N 0.272 120.436 120.200 -0.061 0.000 2.268 321 E HA -0.163 4.183 4.350 -0.006 0.000 0.195 321 E C 0.644 177.168 176.600 -0.126 0.000 0.995 321 E CA 1.020 57.367 56.400 -0.090 0.000 0.836 321 E CB -0.858 28.834 29.700 -0.013 0.000 0.763 321 E HN 0.251 nan 8.360 nan 0.000 0.491 322 D N 0.697 121.027 120.400 -0.117 0.000 2.339 322 D HA 0.128 4.764 4.640 -0.006 0.000 0.217 322 D C 0.048 176.237 176.300 -0.184 0.000 1.050 322 D CA 0.155 54.099 54.000 -0.093 0.000 0.856 322 D CB 0.570 41.368 40.800 -0.005 0.000 0.922 322 D HN 0.007 nan 8.370 nan 0.000 0.518 323 S N -0.249 115.201 115.700 -0.416 0.000 2.718 323 S HA 0.441 4.907 4.470 -0.006 0.000 0.300 323 S C 0.476 174.626 174.600 -0.751 0.000 1.117 323 S CA -0.797 56.994 58.200 -0.682 0.000 1.002 323 S CB 1.943 64.366 63.200 -1.296 0.000 1.092 323 S HN -0.045 nan 8.310 nan 0.000 0.542 324 R N 1.012 121.153 120.500 -0.598 0.000 4.071 324 R HA 0.270 4.607 4.340 -0.006 0.000 0.220 324 R C -1.372 174.733 176.300 -0.325 0.000 1.614 324 R CA -0.005 55.928 56.100 -0.279 0.000 1.505 324 R CB -0.325 30.033 30.300 0.097 0.000 1.384 324 R HN 0.272 nan 8.270 nan 0.000 0.758 325 F N 1.811 121.127 119.950 -1.056 0.000 2.375 325 F HA 0.445 4.967 4.527 -0.010 0.000 0.361 325 F C -0.130 174.896 175.800 -1.291 0.000 1.117 325 F CA -1.573 55.606 58.000 -1.368 0.000 1.037 325 F CB 0.434 38.139 39.000 -2.160 0.000 1.192 325 F HN 0.072 nan 8.300 nan 0.000 0.452 326 F N 0.586 120.593 119.950 0.095 0.000 2.626 326 F HA 0.571 5.093 4.527 -0.009 0.000 0.311 326 F C -0.208 175.862 175.800 0.449 0.000 1.088 326 F CA -0.988 57.166 58.000 0.256 0.000 0.949 326 F CB 2.063 41.137 39.000 0.124 0.000 1.322 326 F HN 0.267 nan 8.300 nan 0.000 0.461 327 E N 0.182 120.740 120.200 0.597 0.000 2.336 327 E HA 0.457 4.803 4.350 -0.006 0.000 0.267 327 E C -2.076 174.772 176.600 0.414 0.000 0.906 327 E CA -1.099 55.583 56.400 0.470 0.000 0.781 327 E CB 3.258 33.165 29.700 0.344 0.000 1.261 327 E HN 0.544 nan 8.360 nan 0.000 0.436 328 Y N 1.352 121.775 120.300 0.206 0.000 2.332 328 Y HA 0.200 4.748 4.550 -0.004 0.000 0.325 328 Y C -0.925 175.068 175.900 0.155 0.000 1.054 328 Y CA -0.866 57.328 58.100 0.156 0.000 1.119 328 Y CB 0.822 39.356 38.460 0.124 0.000 1.168 328 Y HN 0.540 nan 8.280 nan 0.000 0.439 329 K N 2.732 122.946 120.400 -0.309 0.000 3.148 329 K HA -0.165 4.151 4.320 -0.006 0.000 0.267 329 K C -0.243 176.385 176.600 0.046 0.000 0.996 329 K CA 1.031 57.176 56.287 -0.237 0.000 0.737 329 K CB -1.416 30.808 32.500 -0.458 0.000 1.308 329 K HN 0.619 nan 8.250 nan 0.000 0.470 330 S N 0.155 115.899 115.700 0.074 0.000 2.573 330 S HA 0.305 4.771 4.470 -0.006 0.000 0.277 330 S C -0.014 174.677 174.600 0.151 0.000 1.346 330 S CA -0.170 58.077 58.200 0.078 0.000 1.034 330 S CB 0.212 63.387 63.200 -0.042 0.000 0.879 330 S HN 0.380 nan 8.310 nan 0.000 0.528 331 Y N -1.605 118.665 120.300 -0.050 0.000 2.715 331 Y HA 0.807 5.353 4.550 -0.007 0.000 0.331 331 Y C 0.033 175.902 175.900 -0.051 0.000 1.197 331 Y CA -0.793 57.280 58.100 -0.045 0.000 1.079 331 Y CB 0.399 38.842 38.460 -0.029 0.000 1.298 331 Y HN 1.078 nan 8.280 nan 0.000 0.477 332 G N -0.334 108.484 108.800 0.029 0.000 2.746 332 G HA2 0.251 4.208 3.960 -0.006 0.000 0.685 332 G HA3 0.251 4.208 3.960 -0.006 0.000 0.685 332 G C 0.530 175.394 174.900 -0.059 0.000 1.350 332 G CA -0.007 45.056 45.100 -0.062 0.000 0.837 332 G HN 1.760 nan 8.290 nan 0.000 0.564 333 A N -0.361 122.429 122.820 -0.050 0.000 2.070 333 A HA 0.296 4.613 4.320 -0.006 0.000 0.220 333 A C 2.621 180.161 177.584 -0.073 0.000 1.159 333 A CA 2.478 54.491 52.037 -0.041 0.000 0.656 333 A CB -0.541 18.446 19.000 -0.021 0.000 0.800 333 A HN 2.360 nan 8.150 nan 0.000 0.453 334 G N -1.343 107.381 108.800 -0.128 0.000 2.985 334 G HA2 0.342 4.298 3.960 -0.006 0.000 0.209 334 G HA3 0.342 4.298 3.960 -0.006 0.000 0.209 334 G C 0.650 175.428 174.900 -0.203 0.000 1.165 334 G CA 0.576 45.561 45.100 -0.192 0.000 0.776 334 G HN 0.769 nan 8.290 nan 0.000 0.541 335 A N 1.590 124.322 122.820 -0.147 0.000 3.215 335 A HA 0.542 4.859 4.320 -0.006 0.000 0.269 335 A C 0.939 178.485 177.584 -0.063 0.000 1.517 335 A CA -0.190 51.773 52.037 -0.122 0.000 1.221 335 A CB -0.802 18.147 19.000 -0.085 0.000 1.160 335 A HN 0.271 nan 8.150 nan 0.000 0.620 336 T N -1.499 113.015 114.554 -0.066 0.000 2.909 336 T HA 0.538 4.884 4.350 -0.006 0.000 0.289 336 T C -0.151 174.550 174.700 0.002 0.000 1.005 336 T CA -0.559 61.527 62.100 -0.023 0.000 1.084 336 T CB 1.522 70.380 68.868 -0.017 0.000 0.975 336 T HN 0.151 nan 8.240 nan 0.000 0.509 337 V N 3.372 123.301 119.914 0.026 0.000 2.384 337 V HA 0.713 4.830 4.120 -0.006 0.000 0.287 337 V C 0.233 176.364 176.094 0.061 0.000 1.020 337 V CA -0.452 61.880 62.300 0.054 0.000 0.850 337 V CB 0.777 32.632 31.823 0.055 0.000 0.987 337 V HN 1.323 nan 8.190 nan 0.000 0.436 338 S N 3.558 119.308 115.700 0.083 0.000 2.656 338 S HA 0.443 4.909 4.470 -0.006 0.000 0.273 338 S C 0.548 175.210 174.600 0.104 0.000 1.168 338 S CA -0.535 57.714 58.200 0.082 0.000 0.817 338 S CB 1.748 64.992 63.200 0.073 0.000 1.146 338 S HN 0.701 nan 8.310 nan 0.000 0.475 339 K N -0.028 120.427 120.400 0.092 0.000 2.280 339 K HA -0.086 4.230 4.320 -0.006 0.000 0.202 339 K C 0.065 176.734 176.600 0.115 0.000 1.047 339 K CA 1.957 58.302 56.287 0.096 0.000 0.942 339 K CB -0.712 31.832 32.500 0.074 0.000 0.739 339 K HN 0.586 nan 8.250 nan 0.000 0.457 340 D N 0.543 121.021 120.400 0.130 0.000 2.355 340 D HA 0.025 4.661 4.640 -0.006 0.000 0.218 340 D C -0.012 176.450 176.300 0.270 0.000 1.004 340 D CA 0.433 54.537 54.000 0.173 0.000 0.880 340 D CB 0.268 41.167 40.800 0.166 0.000 0.911 340 D HN 0.117 nan 8.370 nan 0.000 0.528 341 R N 0.783 121.432 120.500 0.248 0.000 2.513 341 R HA 0.363 4.699 4.340 -0.006 0.000 0.283 341 R C -0.697 175.777 176.300 0.290 0.000 1.535 341 R CA -0.717 55.591 56.100 0.346 0.000 1.315 341 R CB 1.035 31.482 30.300 0.245 0.000 1.163 341 R HN -0.101 nan 8.270 nan 0.000 0.573 342 R N 1.325 121.986 120.500 0.269 0.000 2.623 342 R HA 0.060 4.396 4.340 -0.006 0.000 0.271 342 R C 0.099 176.643 176.300 0.405 0.000 1.043 342 R CA 0.275 56.550 56.100 0.291 0.000 1.083 342 R CB 0.493 30.952 30.300 0.265 0.000 0.974 342 R HN 0.231 nan 8.270 nan 0.000 0.436 343 Q N 2.305 122.318 119.800 0.354 0.000 2.342 343 Q HA 0.339 4.675 4.340 -0.006 0.000 0.267 343 Q C -0.445 175.735 176.000 0.299 0.000 1.038 343 Q CA -0.704 55.294 55.803 0.326 0.000 0.832 343 Q CB 2.140 31.015 28.738 0.228 0.000 1.323 343 Q HN 0.450 nan 8.270 nan 0.000 0.448 344 L N 1.654 123.060 121.223 0.304 0.000 2.417 344 L HA 0.267 4.603 4.340 -0.006 0.000 0.268 344 L C 1.141 178.167 176.870 0.259 0.000 1.158 344 L CA -0.376 54.575 54.840 0.185 0.000 0.819 344 L CB 0.531 42.652 42.059 0.104 0.000 1.112 344 L HN 0.705 nan 8.230 nan 0.000 0.458 345 T N -2.700 111.937 114.554 0.139 0.000 2.788 345 T HA 0.055 4.401 4.350 -0.006 0.000 0.287 345 T C 0.774 175.548 174.700 0.124 0.000 1.007 345 T CA -0.773 61.418 62.100 0.152 0.000 1.005 345 T CB 0.959 69.876 68.868 0.082 0.000 1.012 345 T HN 0.509 nan 8.240 nan 0.000 0.530 346 D N 1.004 121.505 120.400 0.169 0.000 2.104 346 D HA -0.114 4.522 4.640 -0.006 0.000 0.194 346 D C 2.381 178.662 176.300 -0.032 0.000 0.994 346 D CA 1.834 55.889 54.000 0.092 0.000 0.830 346 D CB -0.873 40.012 40.800 0.142 0.000 0.959 346 D HN 0.752 nan 8.370 nan 0.000 0.452 347 A N 0.760 123.581 122.820 0.003 0.000 1.908 347 A HA -0.248 4.068 4.320 -0.006 0.000 0.218 347 A C 2.157 179.721 177.584 -0.033 0.000 1.181 347 A CA 1.634 53.663 52.037 -0.013 0.000 0.627 347 A CB -0.664 18.337 19.000 0.001 0.000 0.818 347 A HN 0.240 nan 8.150 nan 0.000 0.445 348 Q N -0.868 118.915 119.800 -0.029 0.000 2.119 348 Q HA -0.044 4.292 4.340 -0.006 0.000 0.201 348 Q C 2.391 178.415 176.000 0.041 0.000 0.972 348 Q CA 1.186 56.984 55.803 -0.008 0.000 0.847 348 Q CB -0.361 28.367 28.738 -0.018 0.000 0.903 348 Q HN 0.691 nan 8.270 nan 0.000 0.433 349 A N 1.039 123.774 122.820 -0.141 0.000 1.972 349 A HA -0.112 4.204 4.320 -0.006 0.000 0.219 349 A C 2.220 179.762 177.584 -0.069 0.000 1.169 349 A CA 1.465 53.333 52.037 -0.281 0.000 0.635 349 A CB -0.639 17.627 19.000 -1.223 0.000 0.810 349 A HN 0.391 nan 8.150 nan 0.000 0.446 350 A N -0.499 122.274 122.820 -0.077 0.000 2.172 350 A HA -0.051 4.265 4.320 -0.006 0.000 0.216 350 A C 1.615 179.179 177.584 -0.032 0.000 1.154 350 A CA 1.285 53.298 52.037 -0.039 0.000 0.701 350 A CB -0.250 18.727 19.000 -0.037 0.000 0.789 350 A HN 0.442 nan 8.150 nan 0.000 0.465 351 E N -1.278 118.894 120.200 -0.046 0.000 2.481 351 E HA -0.020 4.326 4.350 -0.006 0.000 0.195 351 E C -0.292 176.136 176.600 -0.288 0.000 1.047 351 E CA 0.501 56.801 56.400 -0.166 0.000 0.867 351 E CB -0.141 29.398 29.700 -0.269 0.000 0.858 351 E HN 0.846 nan 8.360 nan 0.000 0.513 352 Y N 0.747 121.053 120.300 0.009 0.000 2.751 352 Y HA 0.084 4.631 4.550 -0.005 0.000 0.289 352 Y C 0.848 176.701 175.900 -0.079 0.000 1.110 352 Y CA -0.536 57.548 58.100 -0.027 0.000 1.251 352 Y CB 0.140 38.627 38.460 0.046 0.000 1.178 352 Y HN -0.161 nan 8.280 nan 0.000 0.540 353 T N -3.391 111.152 114.554 -0.017 0.000 2.860 353 T HA -0.019 4.327 4.350 -0.006 0.000 0.299 353 T C 1.331 175.957 174.700 -0.123 0.000 1.045 353 T CA -0.445 61.627 62.100 -0.046 0.000 1.071 353 T CB 1.385 70.217 68.868 -0.060 0.000 0.985 353 T HN 0.476 nan 8.240 nan 0.000 0.537 354 Q N 0.623 120.343 119.800 -0.133 0.000 2.112 354 Q HA -0.184 4.152 4.340 -0.006 0.000 0.206 354 Q C 2.398 178.239 176.000 -0.266 0.000 0.987 354 Q CA 1.994 57.653 55.803 -0.241 0.000 0.858 354 Q CB -0.523 28.023 28.738 -0.321 0.000 0.905 354 Q HN 0.855 nan 8.270 nan 0.000 0.420 355 S N -0.194 115.382 115.700 -0.207 0.000 2.370 355 S HA -0.167 4.299 4.470 -0.006 0.000 0.226 355 S C 1.769 176.273 174.600 -0.160 0.000 1.033 355 S CA 1.484 59.579 58.200 -0.175 0.000 1.011 355 S CB -0.051 63.073 63.200 -0.127 0.000 0.852 355 S HN 0.356 nan 8.310 nan 0.000 0.457 356 K N 0.202 120.496 120.400 -0.178 0.000 2.062 356 K HA 0.032 4.348 4.320 -0.006 0.000 0.205 356 K C 2.117 178.499 176.600 -0.363 0.000 1.051 356 K CA 1.275 57.453 56.287 -0.182 0.000 0.941 356 K CB -0.382 32.028 32.500 -0.150 0.000 0.719 356 K HN 0.291 nan 8.250 nan 0.000 0.440 357 V N 1.814 121.386 119.914 -0.570 0.000 2.358 357 V HA -0.172 3.944 4.120 -0.006 0.000 0.246 357 V C 2.052 177.984 176.094 -0.270 0.000 1.047 357 V CA 1.491 63.331 62.300 -0.766 0.000 1.035 357 V CB -0.294 31.212 31.823 -0.528 0.000 0.658 357 V HN 0.253 nan 8.190 nan 0.000 0.452 358 L N -0.802 120.314 121.223 -0.178 0.000 2.585 358 L HA 0.392 4.728 4.340 -0.006 0.000 0.226 358 L C 1.651 178.542 176.870 0.036 0.000 1.113 358 L CA 0.601 55.426 54.840 -0.024 0.000 0.876 358 L CB -0.569 41.405 42.059 -0.142 0.000 1.072 358 L HN 0.518 nan 8.230 nan 0.000 0.468 359 G N 2.296 111.081 108.800 -0.025 0.000 2.591 359 G HA2 -0.442 3.514 3.960 -0.006 0.000 0.298 359 G HA3 -0.442 3.514 3.960 -0.006 0.000 0.298 359 G C 0.460 175.364 174.900 0.007 0.000 1.195 359 G CA 0.551 45.656 45.100 0.008 0.000 0.989 359 G HN 0.523 nan 8.290 nan 0.000 0.551 360 D N -0.164 120.263 120.400 0.045 0.000 2.352 360 D HA 0.161 4.797 4.640 -0.006 0.000 0.232 360 D C 0.608 176.969 176.300 0.103 0.000 1.055 360 D CA 0.583 54.609 54.000 0.044 0.000 0.891 360 D CB -0.140 40.681 40.800 0.037 0.000 0.897 360 D HN 0.483 nan 8.370 nan 0.000 0.529 361 W N 1.674 122.914 121.300 -0.101 0.000 2.349 361 W HA 0.496 5.161 4.660 0.010 0.000 0.309 361 W C -0.959 175.454 176.519 -0.176 0.000 1.083 361 W CA -1.033 56.241 57.345 -0.119 0.000 1.224 361 W CB 1.188 30.583 29.460 -0.108 0.000 1.256 361 W HN -0.320 nan 8.180 nan 0.000 0.461 362 T N 9.120 123.399 114.554 -0.458 0.000 2.801 362 T HA 0.272 4.618 4.350 -0.006 0.000 0.306 362 T C -2.464 171.669 174.700 -0.945 0.000 1.020 362 T CA -1.274 60.419 62.100 -0.679 0.000 0.948 362 T CB 0.861 69.524 68.868 -0.342 0.000 0.962 362 T HN 0.134 nan 8.240 nan 0.000 0.465 363 P HA 0.182 nan 4.420 nan 0.000 0.262 363 P C -0.156 176.770 177.300 -0.623 0.000 1.199 363 P CA -0.024 62.313 63.100 -1.271 0.000 0.763 363 P CB 0.242 30.824 31.700 -1.862 0.000 0.790 364 T N 1.047 115.529 114.554 -0.121 0.000 2.909 364 T HA 0.657 5.003 4.350 -0.006 0.000 0.299 364 T C -0.491 174.347 174.700 0.230 0.000 1.073 364 T CA -0.954 61.191 62.100 0.075 0.000 0.999 364 T CB 0.824 69.688 68.868 -0.006 0.000 1.098 364 T HN 0.036 nan 8.240 nan 0.000 0.477 365 L N 2.095 123.412 121.223 0.156 0.000 2.360 365 L HA 0.565 4.901 4.340 -0.006 0.000 0.271 365 L C -1.601 175.194 176.870 -0.125 0.000 1.057 365 L CA -2.115 52.719 54.840 -0.010 0.000 0.803 365 L CB 0.447 42.478 42.059 -0.046 0.000 1.207 365 L HN 0.593 nan 8.230 nan 0.000 0.445 366 P HA 0.000 nan 4.420 nan 0.000 0.216 366 P CA 0.000 62.936 63.100 -0.273 0.000 0.800 366 P CB 0.000 31.486 31.700 -0.356 0.000 0.726