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 2nt6_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 GYQATLYVSG 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 0.000 177.509 177.584 -0.126 0.000 1.274 25 A CA 0.000 51.986 52.037 -0.085 0.000 0.836 25 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 26 T N -0.632 113.824 114.554 -0.164 0.000 2.792 26 T HA 0.815 5.162 4.350 -0.006 0.000 0.280 26 T C -0.277 174.191 174.700 -0.386 0.000 0.990 26 T CA -0.404 61.534 62.100 -0.270 0.000 0.960 26 T CB 1.764 70.466 68.868 -0.277 0.000 0.939 26 T HN 1.252 nan 8.240 nan 0.000 0.439 27 T N 2.135 116.416 114.554 -0.455 0.000 2.909 27 T HA 0.619 4.966 4.350 -0.006 0.000 0.299 27 T C -1.758 172.617 174.700 -0.541 0.000 1.073 27 T CA -0.626 61.206 62.100 -0.446 0.000 0.999 27 T CB 0.904 69.647 68.868 -0.208 0.000 1.098 27 T HN 0.553 nan 8.240 nan 0.000 0.477 28 Y N 2.965 123.208 120.300 -0.096 0.000 2.360 28 Y HA 0.390 4.936 4.550 -0.007 0.000 0.337 28 Y C 1.385 177.176 175.900 -0.180 0.000 1.039 28 Y CA -0.930 57.087 58.100 -0.138 0.000 1.109 28 Y CB 1.293 39.694 38.460 -0.098 0.000 1.201 28 Y HN 0.671 nan 8.280 nan 0.000 0.458 29 N N 1.431 120.014 118.700 -0.194 0.000 2.354 29 N HA 0.196 4.932 4.740 -0.006 0.000 0.179 29 N C -0.231 175.155 175.510 -0.206 0.000 1.021 29 N CA 0.949 53.769 53.050 -0.383 0.000 0.887 29 N CB 0.330 38.139 38.487 -1.131 0.000 0.974 29 N HN 0.634 nan 8.380 nan 0.000 0.437 30 A N -0.439 122.302 122.820 -0.131 0.000 2.572 30 A HA 0.675 4.992 4.320 -0.006 0.000 0.295 30 A C -1.496 176.141 177.584 0.088 0.000 1.072 30 A CA -0.571 51.538 52.037 0.121 0.000 0.691 30 A CB 1.373 20.492 19.000 0.198 0.000 1.291 30 A HN -0.130 nan 8.150 nan 0.000 0.404 31 V N 1.163 121.181 119.914 0.174 0.000 2.588 31 V HA 0.585 4.701 4.120 -0.006 0.000 0.304 31 V C -0.531 175.654 176.094 0.151 0.000 1.042 31 V CA -0.600 61.734 62.300 0.058 0.000 0.877 31 V CB 1.709 33.536 31.823 0.008 0.000 0.996 31 V HN 0.737 nan 8.190 nan 0.000 0.425 32 V N 3.919 123.864 119.914 0.052 0.000 2.459 32 V HA 0.843 4.959 4.120 -0.006 0.000 0.295 32 V C 0.047 176.202 176.094 0.102 0.000 1.029 32 V CA -0.172 62.177 62.300 0.082 0.000 0.874 32 V CB 1.795 33.566 31.823 -0.087 0.000 0.985 32 V HN 1.080 nan 8.190 nan 0.000 0.438 33 S N 3.776 119.587 115.700 0.185 0.000 2.570 33 S HA 0.549 5.015 4.470 -0.006 0.000 0.270 33 S C -0.012 174.713 174.600 0.208 0.000 1.149 33 S CA -0.921 57.401 58.200 0.203 0.000 0.837 33 S CB 2.254 65.516 63.200 0.103 0.000 1.124 33 S HN 0.405 nan 8.310 nan 0.000 0.465 34 K N 0.868 121.349 120.400 0.134 0.000 2.305 34 K HA 0.252 4.569 4.320 -0.006 0.000 0.199 34 K C 0.217 176.836 176.600 0.030 0.000 1.047 34 K CA 0.398 56.708 56.287 0.037 0.000 0.976 34 K CB -0.170 32.292 32.500 -0.063 0.000 0.765 34 K HN 0.624 nan 8.250 nan 0.000 0.474 35 S N 1.040 116.762 115.700 0.037 0.000 2.525 35 S HA 0.089 4.555 4.470 -0.006 0.000 0.278 35 S C 1.142 175.756 174.600 0.022 0.000 1.234 35 S CA -0.461 57.752 58.200 0.022 0.000 1.058 35 S CB 1.651 64.861 63.200 0.018 0.000 0.983 35 S HN 0.275 nan 8.310 nan 0.000 0.495 36 S N 1.459 117.167 115.700 0.014 0.000 2.470 36 S HA -0.027 4.439 4.470 -0.006 0.000 0.225 36 S C 1.656 176.259 174.600 0.004 0.000 1.006 36 S CA 0.589 58.794 58.200 0.008 0.000 0.934 36 S CB -0.163 63.041 63.200 0.006 0.000 0.778 36 S HN 0.549 nan 8.310 nan 0.000 0.517 37 S N 1.124 116.827 115.700 0.006 0.000 2.561 37 S HA 0.019 4.485 4.470 -0.006 0.000 0.225 37 S C 1.288 175.891 174.600 0.006 0.000 0.977 37 S CA 0.614 58.816 58.200 0.004 0.000 0.926 37 S CB -0.524 62.678 63.200 0.004 0.000 0.769 37 S HN 0.569 nan 8.310 nan 0.000 0.533 38 D N -0.006 120.399 120.400 0.009 0.000 2.123 38 D HA 0.253 4.890 4.640 -0.006 0.000 0.200 38 D C 1.242 177.545 176.300 0.006 0.000 0.976 38 D CA 1.489 55.496 54.000 0.011 0.000 0.831 38 D CB 0.122 40.934 40.800 0.020 0.000 0.974 38 D HN 0.548 nan 8.370 nan 0.000 0.469 39 G N -0.335 108.464 108.800 -0.001 0.000 2.178 39 G HA2 -0.156 3.800 3.960 -0.006 0.000 0.147 39 G HA3 -0.156 3.800 3.960 -0.006 0.000 0.147 39 G C -1.136 173.748 174.900 -0.026 0.000 1.245 39 G CA -0.201 44.893 45.100 -0.010 0.000 1.275 39 G HN 0.253 nan 8.290 nan 0.000 0.491 40 K N 1.447 121.828 120.400 -0.032 0.000 2.737 40 K HA 0.463 4.780 4.320 -0.006 0.000 0.251 40 K C 0.050 176.598 176.600 -0.087 0.000 1.280 40 K CA 0.487 56.735 56.287 -0.065 0.000 1.219 40 K CB -0.185 32.285 32.500 -0.049 0.000 1.587 40 K HN 0.766 nan 8.250 nan 0.000 0.279 41 T N -1.981 112.519 114.554 -0.090 0.000 2.924 41 T HA 0.483 4.829 4.350 -0.006 0.000 0.291 41 T C -0.299 174.336 174.700 -0.109 0.000 1.045 41 T CA -0.892 61.181 62.100 -0.047 0.000 1.015 41 T CB 0.738 69.627 68.868 0.035 0.000 1.103 41 T HN 0.174 nan 8.240 nan 0.000 0.496 42 F N 1.318 121.291 119.950 0.039 0.000 2.418 42 F HA 0.402 4.927 4.527 -0.004 0.000 0.341 42 F C 1.947 177.787 175.800 0.067 0.000 1.120 42 F CA -0.501 57.528 58.000 0.049 0.000 1.232 42 F CB 1.080 40.108 39.000 0.046 0.000 1.175 42 F HN 0.575 nan 8.300 nan 0.000 0.569 43 K N 0.097 120.652 120.400 0.258 0.000 2.262 43 K HA 0.033 4.349 4.320 -0.006 0.000 0.200 43 K C 0.559 177.314 176.600 0.258 0.000 1.049 43 K CA 0.800 57.214 56.287 0.212 0.000 0.979 43 K CB 0.118 32.703 32.500 0.141 0.000 0.773 43 K HN 0.741 nan 8.250 nan 0.000 0.474 44 T N -2.561 112.133 114.554 0.234 0.000 2.887 44 T HA 0.399 4.745 4.350 -0.006 0.000 0.288 44 T C 1.173 175.908 174.700 0.057 0.000 1.021 44 T CA -0.798 61.408 62.100 0.177 0.000 1.000 44 T CB 1.562 70.514 68.868 0.141 0.000 1.034 44 T HN -0.109 nan 8.240 nan 0.000 0.467 45 I N 1.689 122.235 120.570 -0.041 0.000 2.252 45 I HA -0.040 4.126 4.170 -0.006 0.000 0.245 45 I C 3.013 179.075 176.117 -0.091 0.000 1.102 45 I CA 1.436 62.661 61.300 -0.125 0.000 1.385 45 I CB -0.701 37.195 38.000 -0.173 0.000 1.064 45 I HN 0.878 nan 8.210 nan 0.000 0.414 46 A N 0.799 123.594 122.820 -0.041 0.000 1.908 46 A HA -0.263 4.054 4.320 -0.006 0.000 0.218 46 A C 1.962 179.499 177.584 -0.080 0.000 1.181 46 A CA 2.256 54.268 52.037 -0.042 0.000 0.627 46 A CB -0.634 18.365 19.000 -0.002 0.000 0.818 46 A HN 0.352 nan 8.150 nan 0.000 0.445 47 D N -0.039 120.325 120.400 -0.061 0.000 2.117 47 D HA -0.045 4.592 4.640 -0.006 0.000 0.197 47 D C 2.256 178.288 176.300 -0.446 0.000 0.987 47 D CA 1.559 55.510 54.000 -0.082 0.000 0.829 47 D CB -0.497 40.394 40.800 0.152 0.000 0.961 47 D HN 0.431 nan 8.370 nan 0.000 0.460 48 A N 0.645 123.050 122.820 -0.691 0.000 1.902 48 A HA -0.132 4.184 4.320 -0.006 0.000 0.217 48 A C 2.383 179.713 177.584 -0.424 0.000 1.181 48 A CA 0.917 52.330 52.037 -1.039 0.000 0.623 48 A CB -0.704 17.935 19.000 -0.602 0.000 0.818 48 A HN 0.190 nan 8.150 nan 0.000 0.443 49 I N -0.249 120.178 120.570 -0.239 0.000 2.179 49 I HA -0.265 3.902 4.170 -0.006 0.000 0.242 49 I C 2.934 178.903 176.117 -0.247 0.000 1.088 49 I CA 1.089 62.291 61.300 -0.164 0.000 1.357 49 I CB -0.313 37.633 38.000 -0.089 0.000 1.051 49 I HN 0.342 nan 8.210 nan 0.000 0.409 50 A N 0.557 123.254 122.820 -0.204 0.000 2.019 50 A HA -0.211 4.106 4.320 -0.006 0.000 0.219 50 A C 2.438 179.909 177.584 -0.189 0.000 1.164 50 A CA 1.955 53.893 52.037 -0.165 0.000 0.644 50 A CB -0.776 18.168 19.000 -0.094 0.000 0.805 50 A HN 0.537 nan 8.150 nan 0.000 0.449 51 S N 0.061 115.624 115.700 -0.227 0.000 2.474 51 S HA 0.314 4.780 4.470 -0.006 0.000 0.235 51 S C 1.051 175.500 174.600 -0.252 0.000 0.997 51 S CA 0.477 58.599 58.200 -0.131 0.000 0.949 51 S CB -0.800 62.391 63.200 -0.015 0.000 0.766 51 S HN 1.000 nan 8.310 nan 0.000 0.517 52 A N 3.962 126.397 122.820 -0.641 0.000 2.520 52 A HA 0.452 4.769 4.320 -0.006 0.000 0.245 52 A C -1.728 175.573 177.584 -0.472 0.000 1.072 52 A CA -1.214 50.136 52.037 -1.146 0.000 0.761 52 A CB -0.388 17.654 19.000 -1.596 0.000 1.004 52 A HN 0.468 nan 8.150 nan 0.000 0.499 53 P HA 0.237 nan 4.420 nan 0.000 0.269 53 P C 0.051 177.282 177.300 -0.115 0.000 1.209 53 P CA 0.153 63.188 63.100 -0.107 0.000 0.776 53 P CB 0.531 32.226 31.700 -0.008 0.000 0.876 54 A N 2.095 124.868 122.820 -0.077 0.000 2.540 54 A HA 0.481 4.797 4.320 -0.006 0.000 0.239 54 A C 0.984 178.543 177.584 -0.041 0.000 1.061 54 A CA 1.162 53.161 52.037 -0.064 0.000 0.758 54 A CB -1.094 17.879 19.000 -0.045 0.000 0.991 54 A HN 0.953 nan 8.150 nan 0.000 0.502 55 G N 0.073 108.849 108.800 -0.040 0.000 2.270 55 G HA2 0.369 4.325 3.960 -0.006 0.000 0.268 55 G HA3 0.369 4.325 3.960 -0.006 0.000 0.268 55 G C 0.155 175.047 174.900 -0.012 0.000 1.312 55 G CA 0.424 45.513 45.100 -0.019 0.000 1.050 55 G HN 2.061 nan 8.290 nan 0.000 0.474 56 S N -1.340 114.365 115.700 0.008 0.000 2.960 56 S HA 0.425 4.892 4.470 -0.006 0.000 0.256 56 S C 0.691 175.320 174.600 0.049 0.000 1.017 56 S CA 1.055 59.266 58.200 0.019 0.000 1.144 56 S CB -0.086 63.117 63.200 0.006 0.000 1.109 56 S HN 2.013 nan 8.310 nan 0.000 0.638 57 T N 2.202 116.792 114.554 0.061 0.000 2.926 57 T HA 0.381 4.727 4.350 -0.006 0.000 0.307 57 T C -2.697 172.084 174.700 0.136 0.000 1.059 57 T CA -1.231 60.920 62.100 0.084 0.000 1.122 57 T CB -0.168 68.750 68.868 0.083 0.000 0.972 57 T HN 0.117 nan 8.240 nan 0.000 0.545 58 P HA 0.206 nan 4.420 nan 0.000 0.264 58 P C -1.185 176.266 177.300 0.251 0.000 1.193 58 P CA -0.196 63.025 63.100 0.203 0.000 0.763 58 P CB 0.088 31.844 31.700 0.094 0.000 0.810 59 F N 3.990 124.027 119.950 0.144 0.000 2.499 59 F HA 0.360 4.882 4.527 -0.008 0.000 0.333 59 F C -0.943 174.938 175.800 0.134 0.000 1.138 59 F CA -0.734 57.323 58.000 0.096 0.000 0.945 59 F CB 1.440 40.467 39.000 0.045 0.000 1.181 59 F HN -0.003 nan 8.300 nan 0.000 0.435 60 V N 7.375 127.168 119.914 -0.203 0.000 2.448 60 V HA 0.477 4.594 4.120 -0.006 0.000 0.295 60 V C -0.175 175.864 176.094 -0.091 0.000 1.025 60 V CA -0.721 61.558 62.300 -0.034 0.000 0.859 60 V CB 1.688 33.507 31.823 -0.007 0.000 0.988 60 V HN 0.558 nan 8.190 nan 0.000 0.431 61 I N 5.407 125.984 120.570 0.012 0.000 2.389 61 I HA 0.394 4.560 4.170 -0.006 0.000 0.288 61 I C -0.629 175.418 176.117 -0.117 0.000 0.999 61 I CA -0.724 60.555 61.300 -0.036 0.000 1.129 61 I CB 1.859 39.867 38.000 0.012 0.000 1.288 61 I HN 0.436 nan 8.210 nan 0.000 0.444 62 L N 8.411 129.441 121.223 -0.322 0.000 2.305 62 L HA 0.509 4.845 4.340 -0.006 0.000 0.281 62 L C -0.649 176.054 176.870 -0.278 0.000 1.085 62 L CA 0.279 54.796 54.840 -0.540 0.000 0.813 62 L CB 0.629 41.998 42.059 -1.150 0.000 1.157 62 L HN 0.408 nan 8.230 nan 0.000 0.436 63 I N 6.002 126.444 120.570 -0.214 0.000 2.390 63 I HA 0.318 4.484 4.170 -0.006 0.000 0.283 63 I C -0.024 176.052 176.117 -0.068 0.000 1.016 63 I CA -0.804 60.394 61.300 -0.171 0.000 1.151 63 I CB 0.804 38.670 38.000 -0.224 0.000 1.293 63 I HN 0.493 nan 8.210 nan 0.000 0.458 64 K N 4.095 124.498 120.400 0.004 0.000 2.276 64 K HA 0.192 4.508 4.320 -0.006 0.000 0.259 64 K C -0.049 176.654 176.600 0.172 0.000 1.001 64 K CA -0.525 55.801 56.287 0.066 0.000 0.927 64 K CB 0.448 32.989 32.500 0.069 0.000 0.969 64 K HN 0.421 nan 8.250 nan 0.000 0.490 65 N N 0.684 119.451 118.700 0.110 0.000 2.293 65 N HA 0.071 4.807 4.740 -0.006 0.000 0.253 65 N C 0.456 176.025 175.510 0.099 0.000 1.248 65 N CA 0.956 54.070 53.050 0.107 0.000 0.845 65 N CB 0.412 38.930 38.487 0.051 0.000 1.073 65 N HN 0.744 nan 8.380 nan 0.000 0.464 66 G N -0.799 108.039 108.800 0.064 0.000 2.350 66 G HA2 0.151 4.107 3.960 -0.006 0.000 0.304 66 G HA3 0.151 4.107 3.960 -0.006 0.000 0.304 66 G C -1.675 173.115 174.900 -0.183 0.000 1.421 66 G CA -0.847 44.159 45.100 -0.156 0.000 0.934 66 G HN 0.329 nan 8.290 nan 0.000 0.632 67 V N 1.059 120.803 119.914 -0.283 0.000 2.350 67 V HA 0.470 4.586 4.120 -0.006 0.000 0.276 67 V C -0.897 175.029 176.094 -0.280 0.000 1.028 67 V CA -0.545 61.666 62.300 -0.147 0.000 0.860 67 V CB 0.596 32.380 31.823 -0.067 0.000 0.990 67 V HN 0.547 nan 8.190 nan 0.000 0.453 68 Y N 3.079 123.396 120.300 0.028 0.000 2.434 68 Y HA 0.288 4.835 4.550 -0.005 0.000 0.341 68 Y C 0.967 176.884 175.900 0.029 0.000 0.965 68 Y CA -0.480 57.639 58.100 0.031 0.000 1.205 68 Y CB 0.679 39.160 38.460 0.035 0.000 1.121 68 Y HN 0.625 nan 8.280 nan 0.000 0.507 69 N N 4.800 123.567 118.700 0.112 0.000 2.739 69 N HA 0.079 4.816 4.740 -0.006 0.000 0.266 69 N C -1.034 174.527 175.510 0.085 0.000 1.168 69 N CA 0.098 53.195 53.050 0.079 0.000 1.055 69 N CB 0.177 38.691 38.487 0.044 0.000 1.393 69 N HN 0.762 nan 8.380 nan 0.000 0.514 70 E N 1.858 122.111 120.200 0.088 0.000 2.383 70 E HA 0.376 4.723 4.350 -0.006 0.000 0.275 70 E C -1.016 175.604 176.600 0.034 0.000 0.918 70 E CA -0.821 55.620 56.400 0.067 0.000 0.764 70 E CB 2.255 32.008 29.700 0.088 0.000 1.252 70 E HN 0.366 nan 8.360 nan 0.000 0.449 71 R N 1.698 122.203 120.500 0.008 0.000 2.494 71 R HA 0.576 4.913 4.340 -0.006 0.000 0.305 71 R C -0.746 175.548 176.300 -0.009 0.000 0.959 71 R CA -0.613 55.475 56.100 -0.019 0.000 0.864 71 R CB 1.237 31.493 30.300 -0.073 0.000 1.159 71 R HN 0.313 nan 8.270 nan 0.000 0.446 72 L N 1.509 122.724 121.223 -0.013 0.000 2.362 72 L HA 0.555 4.892 4.340 -0.006 0.000 0.271 72 L C -0.382 176.463 176.870 -0.043 0.000 1.002 72 L CA -0.791 54.036 54.840 -0.023 0.000 0.818 72 L CB 2.559 44.605 42.059 -0.021 0.000 1.298 72 L HN 0.544 nan 8.230 nan 0.000 0.420 73 T N 3.576 118.100 114.554 -0.051 0.000 2.847 73 T HA 0.516 4.862 4.350 -0.006 0.000 0.291 73 T C -0.400 174.238 174.700 -0.105 0.000 0.998 73 T CA -0.371 61.684 62.100 -0.075 0.000 0.967 73 T CB 1.286 70.130 68.868 -0.039 0.000 0.954 73 T HN 0.152 nan 8.240 nan 0.000 0.441 74 I N 4.527 124.997 120.570 -0.167 0.000 2.297 74 I HA 0.278 4.444 4.170 -0.006 0.000 0.291 74 I C 1.553 177.577 176.117 -0.155 0.000 1.033 74 I CA -0.458 60.736 61.300 -0.177 0.000 1.253 74 I CB 0.617 38.428 38.000 -0.316 0.000 1.396 74 I HN 0.788 nan 8.210 nan 0.000 0.476 75 T N 2.367 116.854 114.554 -0.112 0.000 3.003 75 T HA 0.197 4.543 4.350 -0.006 0.000 0.261 75 T C 0.827 175.476 174.700 -0.085 0.000 1.003 75 T CA -0.269 61.772 62.100 -0.099 0.000 0.917 75 T CB 0.476 69.296 68.868 -0.081 0.000 1.084 75 T HN 0.443 nan 8.240 nan 0.000 0.522 76 R N 2.046 122.497 120.500 -0.081 0.000 2.254 76 R HA 0.350 4.687 4.340 -0.006 0.000 0.318 76 R C -0.772 175.497 176.300 -0.051 0.000 1.031 76 R CA -0.605 55.452 56.100 -0.071 0.000 0.905 76 R CB 0.447 30.691 30.300 -0.092 0.000 1.050 76 R HN 0.157 nan 8.270 nan 0.000 0.456 77 N N 2.726 121.397 118.700 -0.048 0.000 2.479 77 N HA -0.066 4.671 4.740 -0.006 0.000 0.257 77 N C 0.116 175.610 175.510 -0.027 0.000 1.232 77 N CA 0.358 53.384 53.050 -0.040 0.000 0.920 77 N CB 0.324 38.789 38.487 -0.037 0.000 1.105 77 N HN 0.663 nan 8.380 nan 0.000 0.444 78 N N -0.242 118.429 118.700 -0.049 0.000 2.754 78 N HA -0.199 4.538 4.740 -0.006 0.000 0.248 78 N C -1.284 174.133 175.510 -0.156 0.000 1.093 78 N CA 0.295 53.326 53.050 -0.031 0.000 0.699 78 N CB -1.135 37.416 38.487 0.107 0.000 1.016 78 N HN 0.541 nan 8.380 nan 0.000 0.552 79 L N 1.530 122.569 121.223 -0.306 0.000 2.322 79 L HA 0.525 4.861 4.340 -0.006 0.000 0.279 79 L C -0.365 176.089 176.870 -0.693 0.000 1.036 79 L CA -0.422 54.297 54.840 -0.201 0.000 0.807 79 L CB 1.045 43.147 42.059 0.071 0.000 1.226 79 L HN 0.184 nan 8.230 nan 0.000 0.433 80 H N 6.151 125.174 119.070 -0.079 0.000 2.782 80 H HA 0.430 4.981 4.556 -0.008 0.000 0.347 80 H C -1.232 173.988 175.328 -0.180 0.000 1.038 80 H CA -0.614 55.262 56.048 -0.287 0.000 1.255 80 H CB 1.610 31.255 29.762 -0.195 0.000 1.623 80 H HN 0.512 nan 8.280 nan 0.000 0.525 81 L N 2.526 123.636 121.223 -0.189 0.000 2.307 81 L HA 0.463 4.799 4.340 -0.006 0.000 0.284 81 L C 0.130 176.958 176.870 -0.070 0.000 1.023 81 L CA -0.574 54.228 54.840 -0.063 0.000 0.810 81 L CB 1.876 43.947 42.059 0.021 0.000 1.231 81 L HN 0.336 nan 8.230 nan 0.000 0.423 82 K N 1.910 122.283 120.400 -0.045 0.000 2.579 82 K HA 0.527 4.844 4.320 -0.006 0.000 0.250 82 K C -0.258 176.299 176.600 -0.071 0.000 0.952 82 K CA -0.443 55.821 56.287 -0.039 0.000 0.857 82 K CB 1.760 34.283 32.500 0.039 0.000 1.123 82 K HN 0.748 nan 8.250 nan 0.000 0.433 83 G N 1.842 110.620 108.800 -0.038 0.000 2.507 83 G HA2 0.017 3.973 3.960 -0.006 0.000 0.271 83 G HA3 0.017 3.973 3.960 -0.006 0.000 0.271 83 G C 0.390 175.276 174.900 -0.024 0.000 1.189 83 G CA -0.336 44.748 45.100 -0.027 0.000 0.859 83 G HN 0.894 nan 8.290 nan 0.000 0.542 84 E N -0.508 119.683 120.200 -0.015 0.000 2.110 84 E HA -0.046 4.300 4.350 -0.006 0.000 0.193 84 E C 0.865 177.472 176.600 0.011 0.000 0.988 84 E CA 1.214 57.610 56.400 -0.007 0.000 0.804 84 E CB 0.090 29.793 29.700 0.005 0.000 0.745 84 E HN 0.494 nan 8.360 nan 0.000 0.458 85 S N -2.005 113.708 115.700 0.022 0.000 2.543 85 S HA 0.286 4.752 4.470 -0.006 0.000 0.274 85 S C 0.027 174.646 174.600 0.033 0.000 1.149 85 S CA -0.898 57.317 58.200 0.025 0.000 0.866 85 S CB 1.574 64.788 63.200 0.024 0.000 1.111 85 S HN 0.170 nan 8.310 nan 0.000 0.457 86 R N 1.832 122.351 120.500 0.032 0.000 2.091 86 R HA -0.089 4.247 4.340 -0.006 0.000 0.238 86 R C 1.713 178.035 176.300 0.038 0.000 1.136 86 R CA 2.163 58.287 56.100 0.039 0.000 0.959 86 R CB -0.612 29.710 30.300 0.038 0.000 0.856 86 R HN 0.856 nan 8.270 nan 0.000 0.437 87 N N -1.551 117.166 118.700 0.029 0.000 2.166 87 N HA -0.119 4.617 4.740 -0.006 0.000 0.186 87 N C 1.444 176.971 175.510 0.028 0.000 1.019 87 N CA 1.076 54.140 53.050 0.023 0.000 0.856 87 N CB -0.028 38.469 38.487 0.016 0.000 0.993 87 N HN 0.343 nan 8.380 nan 0.000 0.426 88 G N -0.750 108.071 108.800 0.035 0.000 2.848 88 G HA2 0.360 4.316 3.960 -0.006 0.000 0.213 88 G HA3 0.360 4.316 3.960 -0.006 0.000 0.213 88 G C -0.030 174.912 174.900 0.069 0.000 1.101 88 G CA -0.086 45.038 45.100 0.040 0.000 0.778 88 G HN 0.254 nan 8.290 nan 0.000 0.536 89 A N 0.940 123.811 122.820 0.085 0.000 2.280 89 A HA 0.679 4.996 4.320 -0.006 0.000 0.320 89 A C -0.931 176.739 177.584 0.142 0.000 1.366 89 A CA -0.299 51.821 52.037 0.139 0.000 0.938 89 A CB 0.902 19.962 19.000 0.100 0.000 1.157 89 A HN 0.193 nan 8.150 nan 0.000 0.536 90 V N 4.327 124.357 119.914 0.194 0.000 2.540 90 V HA 0.427 4.544 4.120 -0.006 0.000 0.302 90 V C -0.343 175.885 176.094 0.223 0.000 1.035 90 V CA -0.301 62.093 62.300 0.157 0.000 0.873 90 V CB 1.631 33.512 31.823 0.096 0.000 0.992 90 V HN 0.741 nan 8.190 nan 0.000 0.428 91 I N 4.024 124.691 120.570 0.162 0.000 2.362 91 I HA 0.823 4.989 4.170 -0.006 0.000 0.289 91 I C 0.154 176.337 176.117 0.110 0.000 0.994 91 I CA -0.364 61.028 61.300 0.154 0.000 1.158 91 I CB 1.640 39.708 38.000 0.114 0.000 1.315 91 I HN 0.719 nan 8.210 nan 0.000 0.451 92 A N 5.152 128.033 122.820 0.102 0.000 2.486 92 A HA 0.979 5.295 4.320 -0.006 0.000 0.300 92 A C -1.152 176.467 177.584 0.058 0.000 1.048 92 A CA -0.476 51.604 52.037 0.072 0.000 0.696 92 A CB 1.889 20.927 19.000 0.064 0.000 1.278 92 A HN 0.854 nan 8.150 nan 0.000 0.405 93 A N 0.364 123.210 122.820 0.044 0.000 2.594 93 A HA 0.886 5.202 4.320 -0.006 0.000 0.295 93 A C -0.531 177.076 177.584 0.038 0.000 1.071 93 A CA 0.053 52.106 52.037 0.026 0.000 0.685 93 A CB 1.197 20.190 19.000 -0.012 0.000 1.285 93 A HN 2.474 nan 8.150 nan 0.000 0.405 94 A N 1.210 124.057 122.820 0.046 0.000 2.273 94 A HA 0.749 5.065 4.320 -0.006 0.000 0.320 94 A C -0.299 177.315 177.584 0.050 0.000 1.358 94 A CA -0.224 51.874 52.037 0.102 0.000 0.910 94 A CB 0.020 19.103 19.000 0.140 0.000 1.159 94 A HN 1.074 nan 8.150 nan 0.000 0.526 95 T N 1.574 116.134 114.554 0.009 0.000 3.109 95 T HA 0.619 4.965 4.350 -0.006 0.000 0.311 95 T C -0.157 174.435 174.700 -0.181 0.000 1.011 95 T CA -0.043 61.973 62.100 -0.139 0.000 1.026 95 T CB 1.468 70.113 68.868 -0.371 0.000 1.047 95 T HN 1.108 nan 8.240 nan 0.000 0.448 96 A N 1.838 124.466 122.820 -0.321 0.000 2.269 96 A HA 0.899 5.215 4.320 -0.006 0.000 0.319 96 A C 1.595 179.054 177.584 -0.208 0.000 1.110 96 A CA -0.208 51.508 52.037 -0.535 0.000 0.847 96 A CB 0.349 18.592 19.000 -1.262 0.000 1.161 96 A HN 1.050 nan 8.150 nan 0.000 0.497 97 A N 0.599 123.322 122.820 -0.163 0.000 1.940 97 A HA 0.045 4.361 4.320 -0.006 0.000 0.219 97 A C 1.893 179.488 177.584 0.018 0.000 1.176 97 A CA 2.278 54.302 52.037 -0.022 0.000 0.631 97 A CB -0.954 18.020 19.000 -0.044 0.000 0.814 97 A HN 1.505 nan 8.150 nan 0.000 0.446 98 G N -1.405 107.363 108.800 -0.053 0.000 2.985 98 G HA2 0.271 4.228 3.960 -0.006 0.000 0.209 98 G HA3 0.271 4.228 3.960 -0.006 0.000 0.209 98 G C 0.512 175.430 174.900 0.030 0.000 1.165 98 G CA 0.548 45.642 45.100 -0.011 0.000 0.776 98 G HN 0.367 nan 8.290 nan 0.000 0.541 99 T N 1.683 116.275 114.554 0.063 0.000 2.928 99 T HA 0.289 4.636 4.350 -0.006 0.000 0.305 99 T C 0.306 175.154 174.700 0.246 0.000 1.035 99 T CA 0.168 62.372 62.100 0.174 0.000 1.145 99 T CB 1.184 70.179 68.868 0.212 0.000 0.963 99 T HN -0.022 nan 8.240 nan 0.000 0.545 100 L N 3.480 124.793 121.223 0.149 0.000 2.334 100 L HA 0.422 4.759 4.340 -0.006 0.000 0.277 100 L C 0.887 177.750 176.870 -0.011 0.000 1.075 100 L CA -0.845 54.012 54.840 0.029 0.000 0.804 100 L CB 0.865 42.932 42.059 0.013 0.000 1.174 100 L HN 0.534 nan 8.230 nan 0.000 0.438 101 K N 0.918 121.166 120.400 -0.254 0.000 2.318 101 K HA 0.236 4.552 4.320 -0.006 0.000 0.243 101 K C 1.113 177.638 176.600 -0.126 0.000 1.047 101 K CA -0.568 55.535 56.287 -0.308 0.000 0.937 101 K CB 0.636 32.767 32.500 -0.615 0.000 1.225 101 K HN 0.497 nan 8.250 nan 0.000 0.506 102 S N 1.544 117.187 115.700 -0.095 0.000 2.382 102 S HA -0.155 4.311 4.470 -0.006 0.000 0.228 102 S C 1.170 175.735 174.600 -0.059 0.000 1.027 102 S CA 1.907 60.080 58.200 -0.045 0.000 0.991 102 S CB -0.401 62.784 63.200 -0.025 0.000 0.823 102 S HN 0.727 nan 8.310 nan 0.000 0.469 103 D N 0.277 120.621 120.400 -0.094 0.000 2.363 103 D HA 0.198 4.835 4.640 -0.006 0.000 0.226 103 D C 1.235 177.490 176.300 -0.075 0.000 1.020 103 D CA 0.742 54.694 54.000 -0.079 0.000 0.892 103 D CB -0.740 40.006 40.800 -0.090 0.000 0.900 103 D HN 0.414 nan 8.370 nan 0.000 0.531 104 G N -0.003 108.749 108.800 -0.081 0.000 2.176 104 G HA2 -0.281 3.676 3.960 -0.006 0.000 0.253 104 G HA3 -0.281 3.676 3.960 -0.006 0.000 0.253 104 G C 0.368 175.221 174.900 -0.077 0.000 0.979 104 G CA 0.429 45.492 45.100 -0.062 0.000 0.641 104 G HN 0.843 nan 8.290 nan 0.000 0.530 105 S N -0.298 115.330 115.700 -0.121 0.000 2.610 105 S HA 0.701 5.167 4.470 -0.006 0.000 0.273 105 S C 0.187 174.686 174.600 -0.169 0.000 1.274 105 S CA -0.481 57.642 58.200 -0.128 0.000 1.023 105 S CB 1.896 65.012 63.200 -0.139 0.000 0.962 105 S HN 0.432 nan 8.310 nan 0.000 0.523 106 K N 0.869 121.207 120.400 -0.102 0.000 2.237 106 K HA 0.113 4.430 4.320 -0.006 0.000 0.270 106 K C 0.138 176.695 176.600 -0.072 0.000 1.015 106 K CA -0.250 56.003 56.287 -0.056 0.000 0.949 106 K CB 0.456 32.959 32.500 0.005 0.000 0.976 106 K HN 0.784 nan 8.250 nan 0.000 0.472 107 W N 1.566 122.861 121.300 -0.009 0.000 2.363 107 W HA -0.109 4.546 4.660 -0.007 0.000 0.296 107 W C 1.120 177.642 176.519 0.005 0.000 1.212 107 W CA 1.688 59.033 57.345 0.000 0.000 1.260 107 W CB -0.177 29.279 29.460 -0.005 0.000 1.131 107 W HN 0.954 nan 8.180 nan 0.000 0.530 108 G N -0.653 108.276 108.800 0.215 0.000 2.795 108 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.664 108 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.664 108 G C 0.392 175.363 174.900 0.120 0.000 1.381 108 G CA -0.280 44.899 45.100 0.131 0.000 0.853 108 G HN 0.032 nan 8.290 nan 0.000 0.545 109 T N 1.057 115.656 114.554 0.074 0.000 2.643 109 T HA 0.059 4.406 4.350 -0.006 0.000 0.264 109 T C 2.976 177.731 174.700 0.092 0.000 1.045 109 T CA 3.206 65.332 62.100 0.044 0.000 1.155 109 T CB -0.664 68.188 68.868 -0.026 0.000 0.863 109 T HN 1.686 nan 8.240 nan 0.000 0.420 110 A N 1.452 124.345 122.820 0.121 0.000 1.883 110 A HA 0.034 4.351 4.320 -0.006 0.000 0.217 110 A C 2.605 180.241 177.584 0.087 0.000 1.186 110 A CA 1.968 53.981 52.037 -0.041 0.000 0.624 110 A CB -1.417 17.595 19.000 0.019 0.000 0.822 110 A HN 0.538 nan 8.150 nan 0.000 0.444 111 G N -0.479 108.434 108.800 0.190 0.000 2.559 111 G HA2 -0.069 3.887 3.960 -0.006 0.000 0.216 111 G HA3 -0.069 3.887 3.960 -0.006 0.000 0.216 111 G C 1.660 176.658 174.900 0.163 0.000 1.126 111 G CA 1.452 46.736 45.100 0.307 0.000 0.778 111 G HN 0.894 nan 8.290 nan 0.000 0.543 112 S N -0.654 115.083 115.700 0.063 0.000 2.562 112 S HA 0.212 4.678 4.470 -0.006 0.000 0.221 112 S C 1.222 175.763 174.600 -0.099 0.000 0.975 112 S CA 0.396 58.542 58.200 -0.091 0.000 0.918 112 S CB 0.005 63.176 63.200 -0.047 0.000 0.772 112 S HN 0.136 nan 8.310 nan 0.000 0.531 113 S N 1.282 116.978 115.700 -0.005 0.000 2.549 113 S HA 0.209 4.675 4.470 -0.006 0.000 0.283 113 S C 1.184 175.780 174.600 -0.007 0.000 1.320 113 S CA -0.119 58.110 58.200 0.049 0.000 1.058 113 S CB 0.528 63.830 63.200 0.170 0.000 0.882 113 S HN 0.499 nan 8.310 nan 0.000 0.498 114 T N 5.099 119.660 114.554 0.013 0.000 2.737 114 T HA 0.129 4.476 4.350 -0.006 0.000 0.265 114 T C 0.523 175.230 174.700 0.012 0.000 1.038 114 T CA 1.033 63.133 62.100 0.000 0.000 1.144 114 T CB -0.102 68.784 68.868 0.029 0.000 0.866 114 T HN 0.583 nan 8.240 nan 0.000 0.434 115 I N 1.217 121.809 120.570 0.037 0.000 2.436 115 I HA 0.297 4.464 4.170 -0.006 0.000 0.289 115 I C -0.777 175.350 176.117 0.016 0.000 1.010 115 I CA -0.560 60.749 61.300 0.014 0.000 1.098 115 I CB 2.372 40.387 38.000 0.026 0.000 1.266 115 I HN -0.069 nan 8.210 nan 0.000 0.434 116 T N 6.544 121.074 114.554 -0.041 0.000 2.786 116 T HA 0.505 4.851 4.350 -0.006 0.000 0.283 116 T C -0.210 174.353 174.700 -0.228 0.000 0.992 116 T CA -0.385 61.663 62.100 -0.087 0.000 0.954 116 T CB 1.172 70.024 68.868 -0.026 0.000 0.934 116 T HN 0.170 nan 8.240 nan 0.000 0.440 117 I N 3.311 123.699 120.570 -0.302 0.000 2.306 117 I HA 0.311 4.478 4.170 -0.006 0.000 0.288 117 I C 0.496 176.418 176.117 -0.325 0.000 1.036 117 I CA -0.383 60.700 61.300 -0.362 0.000 1.221 117 I CB 0.840 38.633 38.000 -0.346 0.000 1.385 117 I HN 0.565 nan 8.210 nan 0.000 0.472 118 S N 4.883 120.420 115.700 -0.271 0.000 2.592 118 S HA 0.679 5.145 4.470 -0.006 0.000 0.243 118 S C 0.293 174.792 174.600 -0.169 0.000 1.160 118 S CA -0.418 57.646 58.200 -0.226 0.000 1.145 118 S CB 0.732 63.815 63.200 -0.196 0.000 0.909 118 S HN 0.772 nan 8.310 nan 0.000 0.487 119 A N 1.283 124.005 122.820 -0.163 0.000 2.583 119 A HA 0.779 5.096 4.320 -0.006 0.000 0.289 119 A C -1.174 176.344 177.584 -0.109 0.000 1.151 119 A CA -0.916 51.049 52.037 -0.119 0.000 0.695 119 A CB 1.252 20.193 19.000 -0.098 0.000 1.290 119 A HN 0.279 nan 8.150 nan 0.000 0.419 120 K N 0.670 121.011 120.400 -0.097 0.000 2.095 120 K HA 0.480 4.797 4.320 -0.006 0.000 0.252 120 K C -1.017 175.527 176.600 -0.094 0.000 0.977 120 K CA -0.516 55.699 56.287 -0.121 0.000 0.900 120 K CB 0.629 33.054 32.500 -0.125 0.000 1.060 120 K HN 0.623 nan 8.250 nan 0.000 0.449 121 D N 1.087 121.406 120.400 -0.135 0.000 2.772 121 D HA -0.234 4.402 4.640 -0.006 0.000 0.233 121 D C -0.683 175.573 176.300 -0.074 0.000 1.143 121 D CA 0.912 54.873 54.000 -0.064 0.000 0.700 121 D CB -1.113 39.687 40.800 -0.000 0.000 1.076 121 D HN 0.313 nan 8.370 nan 0.000 0.430 122 F N 1.667 121.479 119.950 -0.231 0.000 2.399 122 F HA 0.367 4.886 4.527 -0.013 0.000 0.342 122 F C 0.592 176.238 175.800 -0.257 0.000 1.106 122 F CA -0.267 57.545 58.000 -0.313 0.000 1.196 122 F CB 1.014 39.862 39.000 -0.253 0.000 1.163 122 F HN -0.037 nan 8.300 nan 0.000 0.547 123 S N 4.456 119.438 115.700 -1.196 0.000 2.549 123 S HA 0.911 5.378 4.470 -0.006 0.000 0.280 123 S C -1.207 172.638 174.600 -1.257 0.000 1.109 123 S CA -0.568 57.081 58.200 -0.918 0.000 0.905 123 S CB 1.480 64.554 63.200 -0.209 0.000 1.081 123 S HN 1.156 nan 8.310 nan 0.000 0.477 124 A N 1.689 124.033 122.820 -0.792 0.000 2.371 124 A HA 0.826 5.143 4.320 -0.006 0.000 0.311 124 A C -0.783 176.680 177.584 -0.202 0.000 1.068 124 A CA -0.671 51.178 52.037 -0.314 0.000 0.744 124 A CB 1.822 20.914 19.000 0.154 0.000 1.239 124 A HN 0.897 nan 8.150 nan 0.000 0.435 125 Q N 1.094 120.818 119.800 -0.127 0.000 2.331 125 Q HA 0.541 4.877 4.340 -0.006 0.000 0.272 125 Q C -0.774 175.209 176.000 -0.028 0.000 1.062 125 Q CA -0.305 55.434 55.803 -0.106 0.000 0.806 125 Q CB 1.693 30.343 28.738 -0.146 0.000 1.312 125 Q HN 1.118 nan 8.270 nan 0.000 0.431 126 S N 1.383 117.080 115.700 -0.005 0.000 3.711 126 S HA -0.196 4.271 4.470 -0.006 0.000 0.374 126 S C -0.750 173.870 174.600 0.033 0.000 0.969 126 S CA 1.229 59.438 58.200 0.015 0.000 1.198 126 S CB -1.953 61.250 63.200 0.005 0.000 0.903 126 S HN 0.559 nan 8.310 nan 0.000 0.493 127 L N -3.537 117.721 121.223 0.059 0.000 2.568 127 L HA 0.954 5.291 4.340 -0.006 0.000 0.257 127 L C -0.330 176.595 176.870 0.092 0.000 1.024 127 L CA -0.791 54.093 54.840 0.075 0.000 0.854 127 L CB 1.429 43.535 42.059 0.077 0.000 1.460 127 L HN -0.043 nan 8.230 nan 0.000 0.409 128 T N 1.776 116.383 114.554 0.089 0.000 2.823 128 T HA 0.789 5.135 4.350 -0.006 0.000 0.279 128 T C -0.377 174.380 174.700 0.094 0.000 0.998 128 T CA -0.029 62.121 62.100 0.082 0.000 0.994 128 T CB 0.988 69.892 68.868 0.059 0.000 0.960 128 T HN 0.518 nan 8.240 nan 0.000 0.448 129 I N 3.587 124.211 120.570 0.091 0.000 2.389 129 I HA 0.487 4.653 4.170 -0.006 0.000 0.288 129 I C 0.122 176.276 176.117 0.062 0.000 0.999 129 I CA -0.821 60.532 61.300 0.089 0.000 1.129 129 I CB 1.414 39.479 38.000 0.108 0.000 1.288 129 I HN 0.332 nan 8.210 nan 0.000 0.444 130 R N 3.902 124.437 120.500 0.059 0.000 2.670 130 R HA 0.428 4.764 4.340 -0.006 0.000 0.289 130 R C -0.763 175.571 176.300 0.057 0.000 0.965 130 R CA -1.012 55.114 56.100 0.044 0.000 0.899 130 R CB 2.051 32.373 30.300 0.037 0.000 1.173 130 R HN 0.452 nan 8.270 nan 0.000 0.456 131 N N 1.608 120.347 118.700 0.066 0.000 2.437 131 N HA 0.071 4.807 4.740 -0.006 0.000 0.259 131 N C -0.753 174.840 175.510 0.140 0.000 0.983 131 N CA -0.136 52.973 53.050 0.099 0.000 0.937 131 N CB 1.309 39.865 38.487 0.114 0.000 1.122 131 N HN 0.506 nan 8.380 nan 0.000 0.499 132 D N 2.201 122.684 120.400 0.138 0.000 2.325 132 D HA -0.003 4.633 4.640 -0.006 0.000 0.225 132 D C 0.016 176.432 176.300 0.194 0.000 1.096 132 D CA -0.091 53.994 54.000 0.142 0.000 0.844 132 D CB -0.372 40.483 40.800 0.092 0.000 0.925 132 D HN 0.454 nan 8.370 nan 0.000 0.513 133 F N 2.207 122.222 119.950 0.109 0.000 2.590 133 F HA -0.033 4.491 4.527 -0.006 0.000 0.389 133 F C 0.717 176.614 175.800 0.161 0.000 1.049 133 F CA -0.477 57.592 58.000 0.115 0.000 1.199 133 F CB 0.462 39.531 39.000 0.114 0.000 1.058 133 F HN -0.244 nan 8.300 nan 0.000 0.556 134 D N 7.177 127.238 120.400 -0.565 0.000 2.551 134 D HA -0.058 4.578 4.640 -0.006 0.000 0.223 134 D C 1.106 176.875 176.300 -0.886 0.000 1.144 134 D CA -0.012 53.695 54.000 -0.489 0.000 1.025 134 D CB -0.485 40.141 40.800 -0.291 0.000 1.085 134 D HN 0.599 nan 8.370 nan 0.000 0.506 135 F N 4.231 123.560 119.950 -1.035 0.000 2.065 135 F HA -0.098 4.427 4.527 -0.005 0.000 0.298 135 F C -1.076 174.344 175.800 -0.633 0.000 1.112 135 F CA 1.168 58.650 58.000 -0.862 0.000 1.212 135 F CB -0.852 37.734 39.000 -0.689 0.000 0.975 135 F HN 0.290 nan 8.300 nan 0.000 0.476 136 P HA -0.166 nan 4.420 nan 0.000 0.215 136 P C 1.527 178.592 177.300 -0.392 0.000 1.153 136 P CA 2.395 65.222 63.100 -0.455 0.000 0.853 136 P CB -0.355 31.202 31.700 -0.239 0.000 0.788 137 A N -0.442 122.168 122.820 -0.349 0.000 1.902 137 A HA -0.251 4.066 4.320 -0.006 0.000 0.217 137 A C 2.277 179.692 177.584 -0.283 0.000 1.181 137 A CA 2.167 54.049 52.037 -0.259 0.000 0.623 137 A CB -1.847 17.029 19.000 -0.207 0.000 0.818 137 A HN 0.179 nan 8.150 nan 0.000 0.443 138 N N -0.507 117.956 118.700 -0.395 0.000 2.069 138 N HA -0.201 4.535 4.740 -0.006 0.000 0.191 138 N C 1.866 177.196 175.510 -0.301 0.000 1.031 138 N CA 1.862 54.730 53.050 -0.304 0.000 0.852 138 N CB -0.183 38.132 38.487 -0.288 0.000 1.018 138 N HN 0.395 nan 8.380 nan 0.000 0.423 139 Q N -0.263 119.247 119.800 -0.484 0.000 2.226 139 Q HA 0.001 4.338 4.340 -0.006 0.000 0.204 139 Q C 1.897 177.749 176.000 -0.246 0.000 0.975 139 Q CA 1.264 56.819 55.803 -0.413 0.000 0.866 139 Q CB -0.461 27.919 28.738 -0.598 0.000 0.915 139 Q HN 0.556 nan 8.270 nan 0.000 0.440 140 A N 0.952 123.638 122.820 -0.223 0.000 2.119 140 A HA -0.053 4.263 4.320 -0.006 0.000 0.216 140 A C 0.865 178.385 177.584 -0.107 0.000 1.152 140 A CA 0.231 52.183 52.037 -0.142 0.000 0.708 140 A CB -0.084 18.841 19.000 -0.126 0.000 0.805 140 A HN 0.137 nan 8.150 nan 0.000 0.460 141 K N 1.282 121.615 120.400 -0.112 0.000 2.414 141 K HA 0.223 4.540 4.320 -0.006 0.000 0.272 141 K C 0.021 176.585 176.600 -0.060 0.000 0.993 141 K CA -0.144 56.098 56.287 -0.075 0.000 0.964 141 K CB 0.374 32.835 32.500 -0.065 0.000 0.925 141 K HN 0.243 nan 8.250 nan 0.000 0.487 142 S N 2.149 117.823 115.700 -0.042 0.000 2.568 142 S HA -0.040 4.426 4.470 -0.006 0.000 0.282 142 S C 0.599 175.182 174.600 -0.028 0.000 1.338 142 S CA -0.548 57.633 58.200 -0.032 0.000 1.045 142 S CB 0.559 63.744 63.200 -0.024 0.000 0.873 142 S HN 0.521 nan 8.310 nan 0.000 0.516 143 D N 1.911 122.296 120.400 -0.025 0.000 2.221 143 D HA -0.094 4.542 4.640 -0.006 0.000 0.204 143 D C 1.950 178.243 176.300 -0.012 0.000 0.982 143 D CA 1.489 55.478 54.000 -0.019 0.000 0.857 143 D CB -0.301 40.490 40.800 -0.016 0.000 0.934 143 D HN 0.610 nan 8.370 nan 0.000 0.475 144 S N -0.398 115.295 115.700 -0.010 0.000 2.558 144 S HA -0.069 4.398 4.470 -0.006 0.000 0.217 144 S C 0.668 175.265 174.600 -0.005 0.000 0.975 144 S CA -0.348 57.848 58.200 -0.006 0.000 0.912 144 S CB 0.145 63.342 63.200 -0.006 0.000 0.776 144 S HN -0.048 nan 8.310 nan 0.000 0.526 145 D N 3.089 123.485 120.400 -0.007 0.000 2.382 145 D HA 0.108 4.744 4.640 -0.006 0.000 0.259 145 D C 1.308 177.610 176.300 0.002 0.000 1.224 145 D CA 0.441 54.439 54.000 -0.005 0.000 0.894 145 D CB 1.300 42.094 40.800 -0.011 0.000 1.127 145 D HN 0.356 nan 8.370 nan 0.000 0.487 146 S N 1.748 117.452 115.700 0.006 0.000 2.474 146 S HA -0.177 4.290 4.470 -0.006 0.000 0.235 146 S C 1.699 176.311 174.600 0.019 0.000 0.997 146 S CA 0.965 59.172 58.200 0.011 0.000 0.949 146 S CB -0.232 62.975 63.200 0.011 0.000 0.766 146 S HN 0.408 nan 8.310 nan 0.000 0.517 147 S N 0.320 116.033 115.700 0.021 0.000 2.558 147 S HA 0.192 4.659 4.470 -0.006 0.000 0.217 147 S C 0.511 175.138 174.600 0.044 0.000 0.975 147 S CA -0.402 57.819 58.200 0.035 0.000 0.912 147 S CB -0.457 62.763 63.200 0.033 0.000 0.776 147 S HN 0.531 nan 8.310 nan 0.000 0.526 148 K N 1.660 122.076 120.400 0.027 0.000 2.383 148 K HA 0.302 4.618 4.320 -0.006 0.000 0.286 148 K C -0.803 175.825 176.600 0.046 0.000 1.051 148 K CA -0.314 55.989 56.287 0.026 0.000 0.974 148 K CB 0.224 32.721 32.500 -0.005 0.000 0.968 148 K HN 0.351 nan 8.250 nan 0.000 0.475 149 I N 5.281 125.904 120.570 0.088 0.000 2.395 149 I HA 0.047 4.213 4.170 -0.006 0.000 0.289 149 I C 1.053 177.212 176.117 0.071 0.000 1.023 149 I CA -0.155 61.196 61.300 0.085 0.000 1.350 149 I CB 1.465 39.530 38.000 0.107 0.000 1.409 149 I HN 0.685 nan 8.210 nan 0.000 0.507 150 K N 2.565 122.991 120.400 0.042 0.000 2.166 150 K HA 0.030 4.346 4.320 -0.006 0.000 0.201 150 K C -0.196 176.430 176.600 0.042 0.000 1.052 150 K CA 0.547 56.858 56.287 0.041 0.000 0.969 150 K CB 0.222 32.738 32.500 0.026 0.000 0.761 150 K HN 0.530 nan 8.250 nan 0.000 0.459 151 D N 1.668 122.075 120.400 0.013 0.000 2.470 151 D HA -0.001 4.635 4.640 -0.006 0.000 0.226 151 D C 0.420 176.687 176.300 -0.055 0.000 1.196 151 D CA 0.337 54.328 54.000 -0.016 0.000 0.979 151 D CB 1.014 41.800 40.800 -0.024 0.000 1.059 151 D HN 0.212 nan 8.370 nan 0.000 0.515 152 T N -1.808 112.759 114.554 0.021 0.000 3.107 152 T HA -0.069 4.277 4.350 -0.006 0.000 0.249 152 T C 0.890 175.609 174.700 0.031 0.000 1.096 152 T CA -0.539 61.628 62.100 0.111 0.000 1.012 152 T CB 0.036 69.198 68.868 0.490 0.000 0.977 152 T HN 0.203 nan 8.240 nan 0.000 0.527 153 Q N 1.742 121.493 119.800 -0.080 0.000 2.330 153 Q HA 0.479 4.816 4.340 -0.006 0.000 0.279 153 Q C -0.613 175.321 176.000 -0.111 0.000 1.024 153 Q CA -0.165 55.566 55.803 -0.120 0.000 0.900 153 Q CB 0.532 29.138 28.738 -0.220 0.000 1.221 153 Q HN 0.357 nan 8.270 nan 0.000 0.396 154 A N 3.141 125.949 122.820 -0.021 0.000 2.768 154 A HA 0.435 4.752 4.320 -0.006 0.000 0.298 154 A C -0.736 176.896 177.584 0.080 0.000 1.159 154 A CA -0.757 51.288 52.037 0.014 0.000 0.783 154 A CB 0.824 19.898 19.000 0.124 0.000 1.333 154 A HN 0.456 nan 8.150 nan 0.000 0.412 155 V N 2.094 122.053 119.914 0.076 0.000 2.555 155 V HA 0.365 4.481 4.120 -0.006 0.000 0.286 155 V C 1.493 177.652 176.094 0.110 0.000 1.044 155 V CA 0.767 63.149 62.300 0.137 0.000 1.026 155 V CB 1.007 32.940 31.823 0.184 0.000 0.981 155 V HN 1.028 nan 8.190 nan 0.000 0.480 156 A N 4.908 127.797 122.820 0.115 0.000 1.878 156 A HA 0.313 4.629 4.320 -0.006 0.000 0.213 156 A C 0.537 178.178 177.584 0.095 0.000 1.192 156 A CA 0.877 52.966 52.037 0.088 0.000 0.619 156 A CB 0.027 19.068 19.000 0.068 0.000 0.837 156 A HN 0.635 nan 8.150 nan 0.000 0.446 157 L N -1.588 119.703 121.223 0.113 0.000 2.410 157 L HA 0.639 4.976 4.340 -0.006 0.000 0.270 157 L C -1.723 175.261 176.870 0.191 0.000 0.983 157 L CA -0.809 54.096 54.840 0.109 0.000 0.822 157 L CB 2.085 44.160 42.059 0.027 0.000 1.285 157 L HN 0.270 nan 8.230 nan 0.000 0.409 158 Y N 5.172 125.475 120.300 0.005 0.000 2.329 158 Y HA 0.675 5.223 4.550 -0.003 0.000 0.328 158 Y C -1.515 174.334 175.900 -0.085 0.000 0.992 158 Y CA -1.442 56.632 58.100 -0.044 0.000 1.151 158 Y CB 1.678 40.107 38.460 -0.052 0.000 1.150 158 Y HN 0.351 nan 8.280 nan 0.000 0.450 159 V N 6.894 126.768 119.914 -0.066 0.000 2.350 159 V HA 0.352 4.468 4.120 -0.006 0.000 0.276 159 V C 0.488 176.290 176.094 -0.487 0.000 1.028 159 V CA -0.282 61.890 62.300 -0.214 0.000 0.860 159 V CB 1.096 32.941 31.823 0.036 0.000 0.990 159 V HN 0.903 nan 8.190 nan 0.000 0.453 160 T N 1.984 116.121 114.554 -0.694 0.000 2.810 160 T HA 0.296 4.642 4.350 -0.006 0.000 0.277 160 T C 1.096 175.615 174.700 -0.302 0.000 0.973 160 T CA -0.555 61.122 62.100 -0.705 0.000 0.949 160 T CB 0.782 69.240 68.868 -0.682 0.000 1.075 160 T HN 0.550 nan 8.240 nan 0.000 0.537 161 K N 0.179 120.460 120.400 -0.198 0.000 2.281 161 K HA -0.069 4.247 4.320 -0.006 0.000 0.203 161 K C 2.324 178.856 176.600 -0.114 0.000 1.046 161 K CA 1.306 57.528 56.287 -0.109 0.000 0.938 161 K CB -0.260 32.199 32.500 -0.068 0.000 0.737 161 K HN 0.453 nan 8.250 nan 0.000 0.458 162 S N 0.284 115.896 115.700 -0.147 0.000 2.501 162 S HA 0.033 4.499 4.470 -0.006 0.000 0.220 162 S C 0.915 175.430 174.600 -0.142 0.000 0.997 162 S CA 0.062 58.184 58.200 -0.131 0.000 0.919 162 S CB 0.434 63.555 63.200 -0.131 0.000 0.778 162 S HN 0.408 nan 8.310 nan 0.000 0.523 163 G N 1.424 110.124 108.800 -0.166 0.000 2.380 163 G HA2 0.458 4.414 3.960 -0.006 0.000 0.262 163 G HA3 0.458 4.414 3.960 -0.006 0.000 0.262 163 G C -1.057 173.758 174.900 -0.141 0.000 1.243 163 G CA -0.067 44.940 45.100 -0.155 0.000 0.865 163 G HN 0.155 nan 8.290 nan 0.000 0.513 164 D N 0.201 120.494 120.400 -0.179 0.000 2.753 164 D HA 0.386 5.022 4.640 -0.006 0.000 0.224 164 D C 0.292 176.334 176.300 -0.431 0.000 1.213 164 D CA -0.663 53.185 54.000 -0.253 0.000 0.833 164 D CB 1.153 41.821 40.800 -0.220 0.000 1.607 164 D HN 0.473 nan 8.370 nan 0.000 0.463 165 R N 0.504 120.543 120.500 -0.768 0.000 3.261 165 R HA -0.069 4.268 4.340 -0.006 0.000 0.257 165 R C -0.996 174.843 176.300 -0.770 0.000 1.014 165 R CA 0.833 55.959 56.100 -1.623 0.000 0.681 165 R CB -2.066 27.275 30.300 -1.598 0.000 1.155 165 R HN 0.356 nan 8.270 nan 0.000 0.424 166 A N 1.367 123.987 122.820 -0.334 0.000 2.276 166 A HA 0.549 4.865 4.320 -0.006 0.000 0.316 166 A C -0.970 176.688 177.584 0.124 0.000 1.229 166 A CA -0.423 51.600 52.037 -0.022 0.000 0.851 166 A CB 0.689 19.762 19.000 0.123 0.000 1.165 166 A HN 0.324 nan 8.150 nan 0.000 0.513 167 Y N 2.619 122.760 120.300 -0.265 0.000 2.350 167 Y HA 0.672 5.220 4.550 -0.002 0.000 0.338 167 Y C -1.871 173.626 175.900 -0.673 0.000 0.961 167 Y CA -2.129 55.864 58.100 -0.179 0.000 1.100 167 Y CB 1.156 39.682 38.460 0.110 0.000 1.179 167 Y HN 0.523 nan 8.280 nan 0.000 0.454 168 F N 5.682 125.558 119.950 -0.123 0.000 2.445 168 F HA 0.469 4.988 4.527 -0.013 0.000 0.348 168 F C -0.166 175.472 175.800 -0.270 0.000 1.125 168 F CA -0.786 57.072 58.000 -0.237 0.000 0.983 168 F CB 1.635 40.526 39.000 -0.181 0.000 1.198 168 F HN 0.287 nan 8.300 nan 0.000 0.436 169 K N 2.255 122.496 120.400 -0.265 0.000 2.345 169 K HA 0.316 4.632 4.320 -0.006 0.000 0.255 169 K C -0.630 175.932 176.600 -0.063 0.000 0.934 169 K CA -0.520 55.640 56.287 -0.211 0.000 0.801 169 K CB 1.238 33.489 32.500 -0.415 0.000 1.137 169 K HN 0.612 nan 8.250 nan 0.000 0.424 170 D N 1.812 122.218 120.400 0.010 0.000 2.697 170 D HA -0.148 4.488 4.640 -0.006 0.000 0.238 170 D C -1.571 174.766 176.300 0.062 0.000 1.152 170 D CA 0.644 54.665 54.000 0.035 0.000 0.666 170 D CB -0.634 40.173 40.800 0.012 0.000 1.037 170 D HN 0.131 nan 8.370 nan 0.000 0.423 171 V N 0.553 120.535 119.914 0.113 0.000 2.628 171 V HA 0.674 4.790 4.120 -0.006 0.000 0.306 171 V C 0.329 176.503 176.094 0.132 0.000 1.045 171 V CA -0.378 62.012 62.300 0.150 0.000 0.905 171 V CB 2.015 33.993 31.823 0.258 0.000 0.997 171 V HN 0.269 nan 8.190 nan 0.000 0.436 172 S N 4.747 120.509 115.700 0.102 0.000 2.478 172 S HA 0.742 5.208 4.470 -0.006 0.000 0.312 172 S C -1.037 173.599 174.600 0.060 0.000 1.094 172 S CA -0.575 57.664 58.200 0.066 0.000 1.081 172 S CB 0.517 63.739 63.200 0.037 0.000 1.007 172 S HN 0.547 nan 8.310 nan 0.000 0.475 173 L N 4.953 126.199 121.223 0.038 0.000 2.305 173 L HA 0.659 4.996 4.340 -0.006 0.000 0.284 173 L C -0.969 175.882 176.870 -0.032 0.000 1.013 173 L CA -0.951 53.902 54.840 0.022 0.000 0.819 173 L CB 1.855 43.931 42.059 0.029 0.000 1.227 173 L HN 0.357 nan 8.230 nan 0.000 0.417 174 V N 2.365 122.256 119.914 -0.038 0.000 2.448 174 V HA 0.937 5.053 4.120 -0.006 0.000 0.295 174 V C 0.350 176.381 176.094 -0.106 0.000 1.025 174 V CA -0.224 62.013 62.300 -0.106 0.000 0.859 174 V CB 1.458 33.229 31.823 -0.087 0.000 0.988 174 V HN 0.983 nan 8.190 nan 0.000 0.431 175 G N 2.698 111.366 108.800 -0.219 0.000 2.490 175 G HA2 0.479 4.435 3.960 -0.006 0.000 0.308 175 G HA3 0.479 4.435 3.960 -0.006 0.000 0.308 175 G C -1.297 173.359 174.900 -0.408 0.000 1.286 175 G CA -0.205 44.792 45.100 -0.171 0.000 0.825 175 G HN 0.374 nan 8.290 nan 0.000 0.479 176 Y N -0.334 119.922 120.300 -0.073 0.000 3.052 176 Y HA 0.446 4.993 4.550 -0.006 0.000 0.176 176 Y C 1.423 177.201 175.900 -0.202 0.000 0.916 176 Y CA 0.179 58.160 58.100 -0.199 0.000 1.720 176 Y CB -0.028 38.258 38.460 -0.290 0.000 1.299 176 Y HN 0.456 nan 8.280 nan 0.000 0.428 177 Q N 0.990 120.748 119.800 -0.070 0.000 2.288 177 Q HA 0.428 4.764 4.340 -0.006 0.000 0.258 177 Q C -0.024 175.942 176.000 -0.056 0.000 0.957 177 Q CA 0.432 56.166 55.803 -0.114 0.000 0.919 177 Q CB 0.783 29.404 28.738 -0.194 0.000 1.185 177 Q HN 0.601 nan 8.270 nan 0.000 0.408 178 A N 3.199 125.973 122.820 -0.077 0.000 2.914 178 A HA -0.203 4.114 4.320 -0.006 0.000 0.280 178 A C 0.959 178.690 177.584 0.246 0.000 1.447 178 A CA 0.995 52.975 52.037 -0.096 0.000 0.759 178 A CB -2.358 16.350 19.000 -0.486 0.000 1.034 178 A HN 0.938 nan 8.150 nan 0.000 0.529 179 T N -1.239 113.455 114.554 0.233 0.000 2.635 179 T HA -0.010 4.337 4.350 -0.006 0.000 0.267 179 T C 0.849 175.678 174.700 0.215 0.000 1.040 179 T CA 1.873 64.087 62.100 0.188 0.000 1.156 179 T CB -0.102 68.843 68.868 0.129 0.000 0.863 179 T HN 1.242 nan 8.240 nan 0.000 0.430 180 L N 0.868 122.240 121.223 0.248 0.000 2.343 180 L HA 0.473 4.810 4.340 -0.006 0.000 0.278 180 L C -1.624 175.247 176.870 0.001 0.000 0.996 180 L CA -1.224 53.695 54.840 0.133 0.000 0.831 180 L CB 1.211 43.291 42.059 0.035 0.000 1.232 180 L HN 0.086 nan 8.230 nan 0.000 0.413 181 Y N 6.177 126.320 120.300 -0.262 0.000 2.491 181 Y HA 0.542 5.089 4.550 -0.004 0.000 0.334 181 Y C -0.707 175.101 175.900 -0.154 0.000 0.969 181 Y CA -1.600 56.068 58.100 -0.720 0.000 1.241 181 Y CB 1.150 39.259 38.460 -0.585 0.000 1.105 181 Y HN 0.406 nan 8.280 nan 0.000 0.503 182 V N 3.052 123.055 119.914 0.148 0.000 2.311 182 V HA 0.679 4.795 4.120 -0.006 0.000 0.275 182 V C 0.040 176.254 176.094 0.201 0.000 1.022 182 V CA -0.440 61.980 62.300 0.199 0.000 0.830 182 V CB 0.667 32.643 31.823 0.254 0.000 1.012 182 V HN 0.646 nan 8.190 nan 0.000 0.452 183 S N 3.690 119.455 115.700 0.108 0.000 2.798 183 S HA 0.961 5.428 4.470 -0.006 0.000 0.312 183 S C 0.799 175.413 174.600 0.023 0.000 1.122 183 S CA 0.718 58.968 58.200 0.084 0.000 0.949 183 S CB 1.401 64.617 63.200 0.026 0.000 1.235 183 S HN 2.450 nan 8.310 nan 0.000 0.552 184 G N 0.833 109.638 108.800 0.008 0.000 2.536 184 G HA2 -0.157 3.799 3.960 -0.006 0.000 0.280 184 G HA3 -0.157 3.799 3.960 -0.006 0.000 0.280 184 G C 0.649 175.549 174.900 0.001 0.000 1.152 184 G CA 0.395 45.481 45.100 -0.022 0.000 0.970 184 G HN 1.416 nan 8.290 nan 0.000 0.549 185 G N -0.013 108.772 108.800 -0.025 0.000 3.137 185 G HA2 0.552 4.508 3.960 -0.006 0.000 0.163 185 G HA3 0.552 4.508 3.960 -0.006 0.000 0.163 185 G C 0.110 175.020 174.900 0.016 0.000 1.602 185 G CA 0.216 45.303 45.100 -0.023 0.000 1.067 185 G HN 0.853 nan 8.290 nan 0.000 0.568 186 R N -0.199 120.283 120.500 -0.030 0.000 2.407 186 R HA 0.555 4.892 4.340 -0.006 0.000 0.303 186 R C -0.439 175.898 176.300 0.063 0.000 0.981 186 R CA -0.203 55.934 56.100 0.061 0.000 0.905 186 R CB 1.740 32.111 30.300 0.118 0.000 1.099 186 R HN 0.589 nan 8.270 nan 0.000 0.459 187 S N 1.622 117.467 115.700 0.243 0.000 2.548 187 S HA 0.687 5.153 4.470 -0.006 0.000 0.286 187 S C -1.234 173.590 174.600 0.373 0.000 1.098 187 S CA -0.870 57.506 58.200 0.293 0.000 0.930 187 S CB 1.504 64.872 63.200 0.280 0.000 1.070 187 S HN 0.457 nan 8.310 nan 0.000 0.480 188 F N 2.006 122.019 119.950 0.105 0.000 2.539 188 F HA 0.754 5.277 4.527 -0.006 0.000 0.318 188 F C -2.220 173.531 175.800 -0.082 0.000 1.135 188 F CA -1.807 56.197 58.000 0.007 0.000 0.915 188 F CB 1.152 40.072 39.000 -0.134 0.000 1.176 188 F HN 0.629 nan 8.300 nan 0.000 0.440 189 F N 3.854 123.533 119.950 -0.451 0.000 2.467 189 F HA 0.571 5.093 4.527 -0.009 0.000 0.336 189 F C 0.030 175.512 175.800 -0.530 0.000 1.123 189 F CA -0.749 57.077 58.000 -0.290 0.000 0.964 189 F CB 2.034 40.966 39.000 -0.113 0.000 1.136 189 F HN 0.417 nan 8.300 nan 0.000 0.447 190 S N 2.278 117.847 115.700 -0.218 0.000 2.571 190 S HA 0.469 4.935 4.470 -0.006 0.000 0.284 190 S C -1.076 173.535 174.600 0.018 0.000 1.128 190 S CA -0.702 57.385 58.200 -0.188 0.000 0.970 190 S CB 0.654 63.722 63.200 -0.220 0.000 1.039 190 S HN 0.687 nan 8.310 nan 0.000 0.485 191 D N 1.733 122.169 120.400 0.061 0.000 2.705 191 D HA -0.129 4.507 4.640 -0.006 0.000 0.240 191 D C -0.099 176.252 176.300 0.086 0.000 1.137 191 D CA 1.021 55.065 54.000 0.073 0.000 0.677 191 D CB -2.380 38.455 40.800 0.058 0.000 1.049 191 D HN 0.588 nan 8.370 nan 0.000 0.427 192 c N -0.314 118.357 118.600 0.117 0.000 2.486 192 c HA 0.806 5.372 4.570 -0.006 0.000 0.348 192 c C 0.757 174.908 174.090 0.101 0.000 1.203 192 c CA -1.158 55.256 56.329 0.141 0.000 1.911 192 c CB 2.149 44.801 42.510 0.236 0.000 2.340 192 c HN 0.371 nan 8.230 nan 0.000 0.511 193 R N 0.730 121.279 120.500 0.081 0.000 2.534 193 R HA 0.819 5.155 4.340 -0.006 0.000 0.301 193 R C -1.804 174.513 176.300 0.028 0.000 0.961 193 R CA -0.447 55.675 56.100 0.037 0.000 0.871 193 R CB 0.898 31.203 30.300 0.008 0.000 1.170 193 R HN 0.877 nan 8.270 nan 0.000 0.446 194 I N 3.158 123.733 120.570 0.008 0.000 2.512 194 I HA 0.240 4.406 4.170 -0.006 0.000 0.287 194 I C -0.487 175.563 176.117 -0.113 0.000 1.069 194 I CA -0.662 60.638 61.300 0.000 0.000 1.056 194 I CB 2.232 40.271 38.000 0.065 0.000 1.229 194 I HN 0.665 nan 8.210 nan 0.000 0.429 195 S N 4.001 119.528 115.700 -0.287 0.000 2.566 195 S HA 1.024 5.490 4.470 -0.006 0.000 0.298 195 S C -0.351 173.693 174.600 -0.927 0.000 1.083 195 S CA -0.465 57.374 58.200 -0.602 0.000 0.978 195 S CB 2.609 65.557 63.200 -0.420 0.000 1.073 195 S HN 1.067 nan 8.310 nan 0.000 0.491 196 G N 0.273 108.274 108.800 -1.331 0.000 2.321 196 G HA2 0.475 4.431 3.960 -0.006 0.000 0.296 196 G HA3 0.475 4.431 3.960 -0.006 0.000 0.296 196 G C -0.133 174.416 174.900 -0.586 0.000 1.287 196 G CA 0.154 44.657 45.100 -0.995 0.000 0.846 196 G HN 1.329 nan 8.290 nan 0.000 0.508 197 T N -3.604 110.934 114.554 -0.027 0.000 3.426 197 T HA 0.461 4.807 4.350 -0.006 0.000 0.195 197 T C 0.307 175.204 174.700 0.327 0.000 0.963 197 T CA 0.679 62.911 62.100 0.221 0.000 1.154 197 T CB -0.023 68.846 68.868 0.001 0.000 1.377 197 T HN 0.958 nan 8.240 nan 0.000 0.342 198 V N 3.445 123.428 119.914 0.115 0.000 2.383 198 V HA 0.367 4.484 4.120 -0.006 0.000 0.275 198 V C -0.706 175.450 176.094 0.103 0.000 1.036 198 V CA -0.296 62.081 62.300 0.128 0.000 0.889 198 V CB 0.541 32.383 31.823 0.032 0.000 0.985 198 V HN 0.743 nan 8.190 nan 0.000 0.459 199 D N 3.592 124.079 120.400 0.145 0.000 2.689 199 D HA -0.262 4.374 4.640 -0.006 0.000 0.237 199 D C 0.600 176.895 176.300 -0.008 0.000 1.148 199 D CA 1.278 55.253 54.000 -0.042 0.000 0.656 199 D CB -0.983 39.630 40.800 -0.313 0.000 1.050 199 D HN 0.740 nan 8.370 nan 0.000 0.426 200 F N -1.248 118.723 119.950 0.034 0.000 2.748 200 F HA 0.247 4.771 4.527 -0.005 0.000 0.299 200 F C 0.630 176.487 175.800 0.095 0.000 1.154 200 F CA -0.232 57.795 58.000 0.045 0.000 1.446 200 F CB 0.131 39.127 39.000 -0.006 0.000 1.112 200 F HN 0.020 nan 8.300 nan 0.000 0.584 201 I N 2.358 122.850 120.570 -0.129 0.000 2.439 201 I HA 0.365 4.532 4.170 -0.006 0.000 0.283 201 I C -1.106 175.087 176.117 0.128 0.000 1.023 201 I CA -0.944 60.331 61.300 -0.041 0.000 1.100 201 I CB 1.461 39.276 38.000 -0.307 0.000 1.238 201 I HN 0.090 nan 8.210 nan 0.000 0.445 202 F N 4.079 124.023 119.950 -0.009 0.000 2.645 202 F HA 0.998 5.526 4.527 0.002 0.000 0.310 202 F C -0.065 175.870 175.800 0.225 0.000 1.102 202 F CA -0.818 57.194 58.000 0.019 0.000 0.952 202 F CB 1.593 40.443 39.000 -0.250 0.000 1.326 202 F HN 0.680 nan 8.300 nan 0.000 0.456 203 G N 1.564 110.615 108.800 0.419 0.000 2.353 203 G HA2 0.150 4.107 3.960 -0.006 0.000 0.615 203 G HA3 0.150 4.107 3.960 -0.006 0.000 0.615 203 G C -1.096 174.012 174.900 0.347 0.000 1.280 203 G CA -0.165 45.225 45.100 0.484 0.000 1.000 203 G HN 1.285 nan 8.290 nan 0.000 0.516 204 D N -0.166 120.396 120.400 0.270 0.000 2.395 204 D HA 0.306 4.942 4.640 -0.006 0.000 0.213 204 D C 1.180 177.567 176.300 0.144 0.000 1.110 204 D CA 0.747 54.841 54.000 0.157 0.000 0.835 204 D CB 0.135 40.981 40.800 0.077 0.000 0.965 204 D HN 0.903 nan 8.370 nan 0.000 0.505 205 G N 0.147 109.051 108.800 0.172 0.000 2.634 205 G HA2 0.306 4.262 3.960 -0.006 0.000 0.255 205 G HA3 0.306 4.262 3.960 -0.006 0.000 0.255 205 G C -0.234 174.777 174.900 0.185 0.000 1.205 205 G CA -0.255 44.938 45.100 0.155 0.000 0.884 205 G HN 0.057 nan 8.290 nan 0.000 0.549 206 T N 0.810 115.471 114.554 0.179 0.000 2.762 206 T HA 0.544 4.891 4.350 -0.006 0.000 0.303 206 T C 0.170 175.006 174.700 0.226 0.000 0.977 206 T CA 0.116 62.346 62.100 0.217 0.000 0.961 206 T CB 0.874 69.865 68.868 0.206 0.000 0.944 206 T HN 0.810 nan 8.240 nan 0.000 0.481 207 A N 4.028 126.997 122.820 0.248 0.000 2.332 207 A HA 0.723 5.039 4.320 -0.006 0.000 0.300 207 A C -0.847 176.803 177.584 0.111 0.000 1.153 207 A CA -0.732 51.422 52.037 0.195 0.000 0.764 207 A CB 0.767 19.916 19.000 0.248 0.000 1.174 207 A HN 0.697 nan 8.150 nan 0.000 0.467 208 L N 2.833 124.101 121.223 0.075 0.000 2.307 208 L HA 0.852 5.189 4.340 -0.006 0.000 0.284 208 L C -1.646 175.248 176.870 0.040 0.000 1.023 208 L CA -0.381 54.571 54.840 0.187 0.000 0.810 208 L CB 0.608 42.846 42.059 0.298 0.000 1.231 208 L HN 0.509 nan 8.230 nan 0.000 0.423 209 F N 4.546 124.672 119.950 0.294 0.000 2.477 209 F HA 0.491 5.019 4.527 0.002 0.000 0.335 209 F C 0.207 176.113 175.800 0.177 0.000 1.130 209 F CA -0.545 57.576 58.000 0.202 0.000 0.948 209 F CB 1.435 40.489 39.000 0.090 0.000 1.154 209 F HN 0.521 nan 8.300 nan 0.000 0.439 210 N N 2.532 121.387 118.700 0.257 0.000 2.296 210 N HA 0.186 4.922 4.740 -0.006 0.000 0.294 210 N C -0.483 175.129 175.510 0.171 0.000 1.033 210 N CA -0.332 52.862 53.050 0.240 0.000 0.839 210 N CB 1.206 39.884 38.487 0.319 0.000 1.395 210 N HN 0.748 nan 8.380 nan 0.000 0.479 211 N N 1.788 120.592 118.700 0.173 0.000 2.727 211 N HA -0.173 4.563 4.740 -0.006 0.000 0.249 211 N C -1.458 174.128 175.510 0.126 0.000 1.048 211 N CA 0.584 53.717 53.050 0.138 0.000 0.714 211 N CB -1.652 36.907 38.487 0.121 0.000 0.959 211 N HN 0.470 nan 8.380 nan 0.000 0.544 212 c N -0.337 118.350 118.600 0.145 0.000 2.399 212 c HA 0.606 5.172 4.570 -0.006 0.000 0.348 212 c C 0.145 174.287 174.090 0.086 0.000 1.183 212 c CA -1.114 55.291 56.329 0.127 0.000 2.023 212 c CB 1.494 44.109 42.510 0.176 0.000 2.361 212 c HN 0.385 nan 8.230 nan 0.000 0.521 213 D N 1.779 122.214 120.400 0.059 0.000 2.329 213 D HA 0.474 5.110 4.640 -0.006 0.000 0.232 213 D C -0.594 175.719 176.300 0.022 0.000 1.088 213 D CA 0.101 54.117 54.000 0.027 0.000 0.835 213 D CB 0.876 41.679 40.800 0.004 0.000 1.078 213 D HN 0.377 nan 8.370 nan 0.000 0.495 214 L N 2.343 123.585 121.223 0.031 0.000 2.262 214 L HA 0.403 4.739 4.340 -0.006 0.000 0.288 214 L C -0.364 176.533 176.870 0.045 0.000 1.035 214 L CA -0.943 53.951 54.840 0.090 0.000 0.820 214 L CB 1.235 43.358 42.059 0.107 0.000 1.204 214 L HN -0.021 nan 8.230 nan 0.000 0.424 215 V N 2.231 122.099 119.914 -0.077 0.000 2.328 215 V HA 0.219 4.336 4.120 -0.006 0.000 0.278 215 V C 0.398 176.238 176.094 -0.422 0.000 1.021 215 V CA -0.341 61.820 62.300 -0.233 0.000 0.838 215 V CB 1.358 33.039 31.823 -0.237 0.000 0.999 215 V HN 0.743 nan 8.190 nan 0.000 0.447 216 S N 5.994 121.431 115.700 -0.437 0.000 2.474 216 S HA 0.441 4.907 4.470 -0.006 0.000 0.276 216 S C 0.272 174.564 174.600 -0.512 0.000 1.227 216 S CA -0.539 57.231 58.200 -0.717 0.000 1.050 216 S CB 0.346 62.779 63.200 -1.279 0.000 0.939 216 S HN 0.638 nan 8.310 nan 0.000 0.490 217 R N 1.468 121.804 120.500 -0.274 0.000 2.500 217 R HA 0.281 4.617 4.340 -0.006 0.000 0.277 217 R C -0.522 175.879 176.300 0.169 0.000 1.026 217 R CA -0.744 55.324 56.100 -0.054 0.000 1.058 217 R CB 0.718 30.971 30.300 -0.077 0.000 1.078 217 R HN 0.627 nan 8.270 nan 0.000 0.509 218 Y N 1.932 122.272 120.300 0.067 0.000 2.511 218 Y HA 0.023 4.570 4.550 -0.006 0.000 0.332 218 Y C -0.249 175.741 175.900 0.150 0.000 1.177 218 Y CA 0.129 58.290 58.100 0.102 0.000 1.422 218 Y CB 0.645 39.136 38.460 0.052 0.000 1.271 218 Y HN 0.244 nan 8.280 nan 0.000 0.550 219 R N 5.759 125.896 120.500 -0.604 0.000 2.272 219 R HA 0.377 4.713 4.340 -0.006 0.000 0.323 219 R C 0.468 176.304 176.300 -0.774 0.000 1.002 219 R CA 0.175 56.011 56.100 -0.441 0.000 0.900 219 R CB 1.222 31.412 30.300 -0.183 0.000 1.151 219 R HN 0.926 nan 8.270 nan 0.000 0.507 220 A N 2.382 124.860 122.820 -0.568 0.000 2.067 220 A HA -0.151 4.165 4.320 -0.006 0.000 0.219 220 A C 1.226 178.717 177.584 -0.157 0.000 1.158 220 A CA 1.452 53.321 52.037 -0.280 0.000 0.661 220 A CB -0.041 18.977 19.000 0.029 0.000 0.801 220 A HN 0.674 nan 8.150 nan 0.000 0.452 221 D N -0.879 119.432 120.400 -0.149 0.000 2.349 221 D HA 0.106 4.743 4.640 -0.006 0.000 0.214 221 D C -0.069 176.188 176.300 -0.073 0.000 1.063 221 D CA 0.070 54.010 54.000 -0.099 0.000 0.847 221 D CB -0.100 40.629 40.800 -0.117 0.000 0.933 221 D HN 0.124 nan 8.370 nan 0.000 0.513 222 V N 1.274 121.128 119.914 -0.099 0.000 2.398 222 V HA 0.159 4.276 4.120 -0.006 0.000 0.286 222 V C 0.514 176.571 176.094 -0.062 0.000 1.026 222 V CA -1.002 61.253 62.300 -0.076 0.000 0.868 222 V CB 1.710 33.475 31.823 -0.098 0.000 0.982 222 V HN -0.057 nan 8.190 nan 0.000 0.443 223 K N 2.190 122.567 120.400 -0.038 0.000 2.414 223 K HA 0.154 4.471 4.320 -0.006 0.000 0.272 223 K C 0.591 177.179 176.600 -0.021 0.000 0.993 223 K CA 0.017 56.290 56.287 -0.024 0.000 0.964 223 K CB 0.456 32.945 32.500 -0.018 0.000 0.925 223 K HN 0.650 nan 8.250 nan 0.000 0.487 224 S N 0.702 116.398 115.700 -0.006 0.000 2.544 224 S HA 0.175 4.641 4.470 -0.006 0.000 0.290 224 S C 1.145 175.737 174.600 -0.013 0.000 1.276 224 S CA 1.122 59.322 58.200 -0.000 0.000 1.075 224 S CB -0.260 62.945 63.200 0.010 0.000 0.849 224 S HN 0.827 nan 8.310 nan 0.000 0.494 225 G N 4.393 113.181 108.800 -0.019 0.000 2.213 225 G HA2 -0.205 3.751 3.960 -0.006 0.000 0.236 225 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.236 225 G C 0.030 174.897 174.900 -0.056 0.000 0.991 225 G CA -0.101 44.978 45.100 -0.035 0.000 0.629 225 G HN 0.647 nan 8.290 nan 0.000 0.517 226 N N -0.288 118.381 118.700 -0.052 0.000 2.482 226 N HA 0.598 5.335 4.740 -0.006 0.000 0.279 226 N C 0.266 175.721 175.510 -0.091 0.000 1.182 226 N CA -0.395 52.617 53.050 -0.064 0.000 0.969 226 N CB 1.612 40.074 38.487 -0.043 0.000 1.201 226 N HN 0.105 nan 8.380 nan 0.000 0.523 227 V N 1.081 120.931 119.914 -0.107 0.000 2.555 227 V HA 0.070 4.187 4.120 -0.006 0.000 0.286 227 V C 1.195 177.129 176.094 -0.267 0.000 1.044 227 V CA 0.232 62.429 62.300 -0.172 0.000 1.026 227 V CB 1.156 32.895 31.823 -0.141 0.000 0.981 227 V HN 0.699 nan 8.190 nan 0.000 0.480 228 S N 2.563 118.014 115.700 -0.416 0.000 2.439 228 S HA 0.343 4.809 4.470 -0.006 0.000 0.224 228 S C 0.673 174.793 174.600 -0.800 0.000 1.029 228 S CA 0.815 58.709 58.200 -0.510 0.000 0.946 228 S CB 0.361 63.324 63.200 -0.395 0.000 0.797 228 S HN 1.107 nan 8.310 nan 0.000 0.504 229 G N -0.630 107.370 108.800 -1.334 0.000 2.428 229 G HA2 0.543 4.499 3.960 -0.006 0.000 0.304 229 G HA3 0.543 4.499 3.960 -0.006 0.000 0.304 229 G C -2.398 171.795 174.900 -1.179 0.000 1.303 229 G CA -0.804 43.615 45.100 -1.135 0.000 0.825 229 G HN 0.157 nan 8.290 nan 0.000 0.484 230 Y N -0.564 119.756 120.300 0.033 0.000 2.396 230 Y HA 0.468 5.014 4.550 -0.006 0.000 0.332 230 Y C 0.788 176.683 175.900 -0.008 0.000 1.034 230 Y CA -0.867 57.250 58.100 0.029 0.000 1.057 230 Y CB 1.963 40.420 38.460 -0.005 0.000 1.220 230 Y HN 0.364 nan 8.280 nan 0.000 0.440 231 L N 1.361 122.573 121.223 -0.018 0.000 2.046 231 L HA -0.046 4.290 4.340 -0.006 0.000 0.208 231 L C 1.174 177.712 176.870 -0.553 0.000 1.077 231 L CA 1.768 56.298 54.840 -0.517 0.000 0.747 231 L CB -0.436 41.431 42.059 -0.320 0.000 0.896 231 L HN 0.821 nan 8.230 nan 0.000 0.432 232 T N -3.460 110.984 114.554 -0.183 0.000 2.907 232 T HA 0.787 5.133 4.350 -0.006 0.000 0.292 232 T C -0.548 174.178 174.700 0.044 0.000 1.043 232 T CA -0.340 61.706 62.100 -0.090 0.000 1.003 232 T CB 2.281 71.123 68.868 -0.044 0.000 1.084 232 T HN 0.077 nan 8.240 nan 0.000 0.483 233 A N 3.368 126.259 122.820 0.119 0.000 3.127 233 A HA 0.637 4.953 4.320 -0.006 0.000 0.319 233 A C -2.932 174.872 177.584 0.367 0.000 1.104 233 A CA -1.474 50.686 52.037 0.205 0.000 0.802 233 A CB 0.521 19.543 19.000 0.036 0.000 1.193 233 A HN 0.682 nan 8.150 nan 0.000 0.479 234 P HA 0.195 nan 4.420 nan 0.000 0.275 234 P C 0.391 177.864 177.300 0.287 0.000 1.227 234 P CA 0.036 63.335 63.100 0.331 0.000 0.781 234 P CB 1.536 33.416 31.700 0.301 0.000 0.906 235 S N -0.661 115.171 115.700 0.221 0.000 2.754 235 S HA 0.112 4.578 4.470 -0.006 0.000 0.247 235 S C 0.233 174.787 174.600 -0.077 0.000 1.031 235 S CA -0.403 57.776 58.200 -0.035 0.000 1.014 235 S CB -1.088 61.999 63.200 -0.188 0.000 0.918 235 S HN 0.369 nan 8.310 nan 0.000 0.519 236 T N 4.035 118.596 114.554 0.011 0.000 2.866 236 T HA -0.007 4.340 4.350 -0.006 0.000 0.293 236 T C 0.285 174.954 174.700 -0.051 0.000 1.005 236 T CA 0.051 62.162 62.100 0.018 0.000 1.162 236 T CB -0.096 68.814 68.868 0.070 0.000 0.968 236 T HN 0.536 nan 8.240 nan 0.000 0.530 237 N N 1.914 120.590 118.700 -0.040 0.000 2.454 237 N HA -0.050 4.687 4.740 -0.006 0.000 0.254 237 N C 1.260 176.746 175.510 -0.040 0.000 1.228 237 N CA -0.473 52.546 53.050 -0.051 0.000 0.900 237 N CB 0.415 38.885 38.487 -0.030 0.000 1.089 237 N HN 0.540 nan 8.380 nan 0.000 0.449 238 I N 3.708 124.251 120.570 -0.045 0.000 2.399 238 I HA -0.245 3.922 4.170 -0.006 0.000 0.254 238 I C 1.442 177.542 176.117 -0.029 0.000 1.146 238 I CA 1.406 62.686 61.300 -0.034 0.000 1.412 238 I CB -0.310 37.675 38.000 -0.026 0.000 1.076 238 I HN 0.574 nan 8.210 nan 0.000 0.432 239 N N 0.281 118.966 118.700 -0.025 0.000 2.412 239 N HA -0.056 4.681 4.740 -0.006 0.000 0.184 239 N C 0.604 176.094 175.510 -0.033 0.000 1.101 239 N CA 0.153 53.187 53.050 -0.027 0.000 0.881 239 N CB -0.024 38.452 38.487 -0.018 0.000 0.969 239 N HN 0.563 nan 8.380 nan 0.000 0.459 240 Q N 1.214 120.998 119.800 -0.026 0.000 2.279 240 Q HA 0.072 4.408 4.340 -0.006 0.000 0.256 240 Q C 0.897 176.861 176.000 -0.061 0.000 0.937 240 Q CA -0.356 55.436 55.803 -0.019 0.000 0.933 240 Q CB 1.327 30.075 28.738 0.016 0.000 1.189 240 Q HN -0.225 nan 8.270 nan 0.000 0.417 241 K N 3.354 123.675 120.400 -0.132 0.000 2.057 241 K HA -0.062 4.255 4.320 -0.006 0.000 0.206 241 K C -0.719 175.567 176.600 -0.523 0.000 1.050 241 K CA 1.622 57.676 56.287 -0.390 0.000 0.935 241 K CB 0.203 32.374 32.500 -0.549 0.000 0.715 241 K HN 0.562 nan 8.250 nan 0.000 0.439 242 Y N -1.304 119.041 120.300 0.076 0.000 2.409 242 Y HA 0.530 5.062 4.550 -0.031 0.000 0.343 242 Y C 0.923 176.913 175.900 0.150 0.000 0.973 242 Y CA -0.621 57.561 58.100 0.137 0.000 1.064 242 Y CB 2.251 40.788 38.460 0.128 0.000 1.207 242 Y HN 0.018 nan 8.280 nan 0.000 0.452 243 G N 1.776 110.784 108.800 0.346 0.000 3.157 243 G HA2 0.391 4.347 3.960 -0.006 0.000 0.206 243 G HA3 0.391 4.347 3.960 -0.006 0.000 0.206 243 G C -0.769 174.312 174.900 0.301 0.000 1.903 243 G CA -0.742 44.523 45.100 0.274 0.000 0.771 243 G HN 0.434 nan 8.290 nan 0.000 0.750 244 L N 1.566 122.957 121.223 0.279 0.000 2.260 244 L HA 0.531 4.867 4.340 -0.006 0.000 0.289 244 L C -0.923 176.082 176.870 0.225 0.000 1.057 244 L CA -0.577 54.435 54.840 0.287 0.000 0.811 244 L CB 1.592 43.773 42.059 0.203 0.000 1.184 244 L HN -0.043 nan 8.230 nan 0.000 0.429 245 V N 5.303 125.394 119.914 0.295 0.000 2.407 245 V HA 0.436 4.553 4.120 -0.006 0.000 0.291 245 V C -0.173 176.072 176.094 0.252 0.000 1.018 245 V CA -0.332 62.097 62.300 0.215 0.000 0.842 245 V CB 1.989 33.978 31.823 0.276 0.000 0.996 245 V HN 0.486 nan 8.190 nan 0.000 0.426 246 I N 4.797 125.391 120.570 0.041 0.000 2.362 246 I HA 0.597 4.764 4.170 -0.006 0.000 0.289 246 I C 0.312 176.527 176.117 0.163 0.000 0.994 246 I CA 0.083 61.433 61.300 0.082 0.000 1.158 246 I CB 2.183 40.035 38.000 -0.247 0.000 1.315 246 I HN 0.770 nan 8.210 nan 0.000 0.451 247 T N 0.908 115.604 114.554 0.236 0.000 2.876 247 T HA 0.466 4.812 4.350 -0.006 0.000 0.289 247 T C 0.012 174.849 174.700 0.229 0.000 1.014 247 T CA -0.885 61.355 62.100 0.233 0.000 0.986 247 T CB 1.045 70.047 68.868 0.223 0.000 1.021 247 T HN 0.661 nan 8.240 nan 0.000 0.458 248 N N 0.680 119.516 118.700 0.226 0.000 2.727 248 N HA -0.161 4.575 4.740 -0.006 0.000 0.249 248 N C -0.277 175.346 175.510 0.189 0.000 1.048 248 N CA 0.805 53.980 53.050 0.210 0.000 0.714 248 N CB -1.067 37.529 38.487 0.182 0.000 0.959 248 N HN 0.624 nan 8.380 nan 0.000 0.544 249 S N -0.446 115.363 115.700 0.182 0.000 2.798 249 S HA 0.676 5.142 4.470 -0.006 0.000 0.312 249 S C 0.102 174.747 174.600 0.076 0.000 1.122 249 S CA -0.831 57.453 58.200 0.140 0.000 0.949 249 S CB 1.832 65.126 63.200 0.156 0.000 1.235 249 S HN 0.206 nan 8.310 nan 0.000 0.552 250 R N 0.624 121.148 120.500 0.041 0.000 2.502 250 R HA 0.546 4.883 4.340 -0.006 0.000 0.300 250 R C -1.736 174.548 176.300 -0.027 0.000 0.984 250 R CA -0.449 55.636 56.100 -0.025 0.000 0.882 250 R CB 1.733 32.026 30.300 -0.013 0.000 1.180 250 R HN 0.289 nan 8.270 nan 0.000 0.444 251 V N 5.980 125.850 119.914 -0.074 0.000 2.318 251 V HA 0.392 4.509 4.120 -0.006 0.000 0.271 251 V C 0.125 176.236 176.094 0.029 0.000 1.030 251 V CA -0.400 61.870 62.300 -0.050 0.000 0.844 251 V CB 0.524 32.235 31.823 -0.186 0.000 1.015 251 V HN 0.616 nan 8.190 nan 0.000 0.460 252 I N 2.996 123.566 120.570 -0.000 0.000 2.785 252 I HA 0.788 4.955 4.170 -0.006 0.000 0.302 252 I C -0.067 175.806 176.117 -0.406 0.000 1.069 252 I CA -1.342 59.892 61.300 -0.109 0.000 1.045 252 I CB 2.193 40.128 38.000 -0.109 0.000 1.236 252 I HN 0.593 nan 8.210 nan 0.000 0.429 253 R N 2.413 122.561 120.500 -0.585 0.000 2.410 253 R HA 0.289 4.625 4.340 -0.006 0.000 0.288 253 R C 0.484 176.582 176.300 -0.336 0.000 1.051 253 R CA -0.560 55.142 56.100 -0.663 0.000 1.021 253 R CB 1.534 31.489 30.300 -0.575 0.000 1.032 253 R HN 0.874 nan 8.270 nan 0.000 0.481 254 E N 1.489 121.519 120.200 -0.282 0.000 2.153 254 E HA -0.133 4.213 4.350 -0.006 0.000 0.194 254 E C -0.286 176.237 176.600 -0.129 0.000 0.988 254 E CA 1.257 57.551 56.400 -0.178 0.000 0.811 254 E CB 0.295 29.915 29.700 -0.135 0.000 0.746 254 E HN 0.744 nan 8.360 nan 0.000 0.466 255 S N -1.418 114.210 115.700 -0.121 0.000 2.615 255 S HA 0.169 4.635 4.470 -0.006 0.000 0.269 255 S C -0.295 174.249 174.600 -0.094 0.000 1.161 255 S CA -0.733 57.404 58.200 -0.105 0.000 0.817 255 S CB 1.157 64.286 63.200 -0.118 0.000 1.131 255 S HN -0.042 nan 8.310 nan 0.000 0.467 256 D N 1.320 121.668 120.400 -0.086 0.000 2.350 256 D HA 0.069 4.706 4.640 -0.006 0.000 0.216 256 D C 1.383 177.655 176.300 -0.046 0.000 0.968 256 D CA 0.935 54.898 54.000 -0.061 0.000 0.894 256 D CB -0.206 40.561 40.800 -0.055 0.000 0.909 256 D HN 0.466 nan 8.370 nan 0.000 0.520 257 S N -0.358 115.292 115.700 -0.083 0.000 2.496 257 S HA 0.013 4.480 4.470 -0.006 0.000 0.224 257 S C 0.979 175.675 174.600 0.161 0.000 0.996 257 S CA -0.093 58.066 58.200 -0.069 0.000 0.927 257 S CB 0.554 63.500 63.200 -0.423 0.000 0.774 257 S HN 0.030 nan 8.310 nan 0.000 0.524 258 V N 4.837 124.843 119.914 0.153 0.000 2.425 258 V HA 0.131 4.247 4.120 -0.006 0.000 0.276 258 V C -2.210 173.974 176.094 0.150 0.000 1.017 258 V CA -1.531 60.891 62.300 0.203 0.000 1.062 258 V CB -0.086 31.777 31.823 0.067 0.000 0.997 258 V HN 0.163 nan 8.190 nan 0.000 0.476 259 P HA 0.235 nan 4.420 nan 0.000 0.272 259 P C -0.189 177.198 177.300 0.145 0.000 1.230 259 P CA -0.220 62.958 63.100 0.130 0.000 0.788 259 P CB 0.538 32.304 31.700 0.109 0.000 0.949 260 A N 2.213 125.097 122.820 0.105 0.000 2.531 260 A HA 0.065 4.382 4.320 -0.006 0.000 0.236 260 A C 0.412 178.066 177.584 0.116 0.000 1.062 260 A CA 0.071 52.170 52.037 0.103 0.000 0.760 260 A CB -0.814 18.223 19.000 0.061 0.000 0.995 260 A HN 0.662 nan 8.150 nan 0.000 0.501 261 K N 0.428 120.909 120.400 0.135 0.000 3.096 261 K HA -0.181 4.135 4.320 -0.006 0.000 0.266 261 K C 0.782 177.545 176.600 0.272 0.000 1.043 261 K CA 0.875 57.282 56.287 0.199 0.000 0.758 261 K CB -1.974 30.594 32.500 0.114 0.000 1.260 261 K HN 1.011 nan 8.250 nan 0.000 0.481 262 S N -1.688 114.186 115.700 0.290 0.000 2.526 262 S HA 0.115 4.581 4.470 -0.006 0.000 0.220 262 S C 0.105 174.778 174.600 0.122 0.000 1.017 262 S CA -0.288 58.034 58.200 0.203 0.000 0.930 262 S CB 0.218 63.530 63.200 0.187 0.000 0.856 262 S HN 0.320 nan 8.310 nan 0.000 0.497 263 Y N 1.436 121.771 120.300 0.059 0.000 2.391 263 Y HA 0.683 5.229 4.550 -0.007 0.000 0.341 263 Y C 0.657 176.072 175.900 -0.810 0.000 0.965 263 Y CA -0.732 57.233 58.100 -0.225 0.000 1.067 263 Y CB 1.791 40.184 38.460 -0.111 0.000 1.199 263 Y HN 0.231 nan 8.280 nan 0.000 0.450 264 G N 2.851 111.265 108.800 -0.643 0.000 2.400 264 G HA2 0.372 4.329 3.960 -0.006 0.000 0.301 264 G HA3 0.372 4.329 3.960 -0.006 0.000 0.301 264 G C 0.503 175.145 174.900 -0.430 0.000 1.154 264 G CA -0.548 44.109 45.100 -0.738 0.000 0.852 264 G HN 0.843 nan 8.290 nan 0.000 0.511 265 L N 0.994 121.809 121.223 -0.680 0.000 2.141 265 L HA 0.207 4.544 4.340 -0.006 0.000 0.209 265 L C 1.487 178.180 176.870 -0.294 0.000 1.094 265 L CA 1.246 55.648 54.840 -0.731 0.000 0.763 265 L CB -0.327 40.770 42.059 -1.603 0.000 0.908 265 L HN 0.688 nan 8.230 nan 0.000 0.437 266 G N -0.324 108.407 108.800 -0.115 0.000 2.519 266 G HA2 0.516 4.473 3.960 -0.006 0.000 0.292 266 G HA3 0.516 4.473 3.960 -0.006 0.000 0.292 266 G C -1.653 173.300 174.900 0.089 0.000 1.507 266 G CA -0.836 44.273 45.100 0.015 0.000 0.806 266 G HN 0.110 nan 8.290 nan 0.000 0.523 267 R N 0.072 120.664 120.500 0.154 0.000 2.740 267 R HA 0.750 5.086 4.340 -0.006 0.000 0.273 267 R C -3.126 173.469 176.300 0.491 0.000 0.998 267 R CA -1.981 54.313 56.100 0.323 0.000 0.900 267 R CB 2.705 33.001 30.300 -0.006 0.000 1.223 267 R HN 0.314 nan 8.270 nan 0.000 0.466 268 P HA 0.059 nan 4.420 nan 0.000 0.286 268 P C -1.337 176.206 177.300 0.406 0.000 1.321 268 P CA -0.220 63.142 63.100 0.436 0.000 0.790 268 P CB 0.213 32.103 31.700 0.316 0.000 0.897 269 W N 6.241 127.600 121.300 0.099 0.000 2.387 269 W HA 0.185 4.840 4.660 -0.008 0.000 0.310 269 W C -0.468 175.977 176.519 -0.123 0.000 1.181 269 W CA -0.200 57.164 57.345 0.032 0.000 1.333 269 W CB -0.087 29.398 29.460 0.041 0.000 1.286 269 W HN 0.448 nan 8.180 nan 0.000 0.455 270 H N 7.833 126.660 119.070 -0.405 0.000 2.700 270 H HA 0.227 4.781 4.556 -0.002 0.000 0.269 270 H C -2.030 172.927 175.328 -0.618 0.000 1.222 270 H CA -1.673 53.991 56.048 -0.640 0.000 1.254 270 H CB 0.623 29.762 29.762 -1.038 0.000 1.413 270 H HN 0.053 nan 8.280 nan 0.000 0.507 271 P HA -0.032 nan 4.420 nan 0.000 0.268 271 P C 0.095 177.247 177.300 -0.247 0.000 1.205 271 P CA -0.074 62.542 63.100 -0.807 0.000 0.771 271 P CB 0.615 31.664 31.700 -1.086 0.000 0.858 272 T N 3.064 117.595 114.554 -0.039 0.000 2.831 272 T HA 0.215 4.561 4.350 -0.006 0.000 0.291 272 T C 0.183 174.815 174.700 -0.113 0.000 0.981 272 T CA 0.624 62.723 62.100 -0.002 0.000 1.174 272 T CB -0.597 68.312 68.868 0.068 0.000 0.929 272 T HN 0.342 nan 8.240 nan 0.000 0.532 273 T N 2.967 117.388 114.554 -0.221 0.000 2.912 273 T HA 0.342 4.689 4.350 -0.006 0.000 0.299 273 T C -0.011 174.285 174.700 -0.673 0.000 1.052 273 T CA -0.724 61.087 62.100 -0.481 0.000 0.996 273 T CB 1.635 70.100 68.868 -0.671 0.000 1.070 273 T HN 0.438 nan 8.240 nan 0.000 0.465 274 T N 3.739 117.949 114.554 -0.574 0.000 2.737 274 T HA 0.507 4.854 4.350 -0.006 0.000 0.296 274 T C -0.574 173.755 174.700 -0.619 0.000 0.922 274 T CA 0.025 61.865 62.100 -0.432 0.000 1.079 274 T CB -0.356 68.383 68.868 -0.215 0.000 0.892 274 T HN 0.276 nan 8.240 nan 0.000 0.514 275 F N 0.754 120.594 119.950 -0.184 0.000 2.572 275 F HA 0.348 4.870 4.527 -0.008 0.000 0.342 275 F C 1.972 177.760 175.800 -0.020 0.000 1.064 275 F CA -1.125 56.805 58.000 -0.116 0.000 1.008 275 F CB 0.918 39.821 39.000 -0.161 0.000 1.303 275 F HN 0.537 nan 8.300 nan 0.000 0.492 276 S N -0.524 115.315 115.700 0.231 0.000 2.400 276 S HA -0.209 4.258 4.470 -0.006 0.000 0.232 276 S C 0.900 175.594 174.600 0.156 0.000 1.025 276 S CA 1.625 59.912 58.200 0.145 0.000 0.993 276 S CB -0.617 62.651 63.200 0.114 0.000 0.808 276 S HN 0.741 nan 8.310 nan 0.000 0.478 277 D N 0.668 121.206 120.400 0.229 0.000 2.427 277 D HA 0.449 5.085 4.640 -0.006 0.000 0.224 277 D C 0.858 177.347 176.300 0.314 0.000 1.157 277 D CA 0.322 54.451 54.000 0.215 0.000 0.828 277 D CB -0.097 40.800 40.800 0.162 0.000 0.974 277 D HN 0.651 nan 8.370 nan 0.000 0.498 278 G N 0.249 109.240 108.800 0.318 0.000 2.353 278 G HA2 -0.038 3.918 3.960 -0.006 0.000 0.615 278 G HA3 -0.038 3.918 3.960 -0.006 0.000 0.615 278 G C -1.515 173.553 174.900 0.279 0.000 1.280 278 G CA -1.041 44.243 45.100 0.307 0.000 1.000 278 G HN 0.369 nan 8.290 nan 0.000 0.516 279 R N 0.439 121.081 120.500 0.235 0.000 2.310 279 R HA 0.728 5.065 4.340 -0.006 0.000 0.324 279 R C -0.422 176.013 176.300 0.224 0.000 0.955 279 R CA -0.753 55.396 56.100 0.083 0.000 0.830 279 R CB 0.571 30.893 30.300 0.037 0.000 1.154 279 R HN 1.114 nan 8.270 nan 0.000 0.458 280 Y N 0.446 120.862 120.300 0.193 0.000 2.788 280 Y HA 0.574 5.122 4.550 -0.004 0.000 0.335 280 Y C -1.244 174.793 175.900 0.228 0.000 1.287 280 Y CA -1.487 56.720 58.100 0.179 0.000 1.068 280 Y CB 0.450 39.002 38.460 0.152 0.000 1.340 280 Y HN 0.506 nan 8.280 nan 0.000 0.449 281 A N 1.635 124.705 122.820 0.417 0.000 2.524 281 A HA 0.172 4.489 4.320 -0.006 0.000 0.250 281 A C -0.194 177.594 177.584 0.341 0.000 1.078 281 A CA 0.332 52.553 52.037 0.306 0.000 0.761 281 A CB -0.415 18.822 19.000 0.396 0.000 1.012 281 A HN 0.621 nan 8.150 nan 0.000 0.500 282 D N 3.783 124.292 120.400 0.181 0.000 2.389 282 D HA 0.154 4.790 4.640 -0.006 0.000 0.263 282 D C -1.496 174.921 176.300 0.195 0.000 1.255 282 D CA -1.650 52.493 54.000 0.239 0.000 0.914 282 D CB 0.962 41.810 40.800 0.079 0.000 1.116 282 D HN 0.194 nan 8.370 nan 0.000 0.502 283 P HA -0.055 nan 4.420 nan 0.000 0.220 283 P C 0.535 177.924 177.300 0.149 0.000 1.148 283 P CA 0.721 63.944 63.100 0.205 0.000 0.803 283 P CB 0.316 32.082 31.700 0.110 0.000 0.782 284 N N -0.632 118.103 118.700 0.058 0.000 2.336 284 N HA 0.089 4.826 4.740 -0.006 0.000 0.189 284 N C 0.486 175.938 175.510 -0.096 0.000 1.113 284 N CA 0.111 53.161 53.050 0.000 0.000 0.858 284 N CB 0.004 38.498 38.487 0.012 0.000 0.970 284 N HN 0.024 nan 8.380 nan 0.000 0.471 285 A N 1.324 124.010 122.820 -0.224 0.000 2.990 285 A HA 0.316 4.632 4.320 -0.006 0.000 0.282 285 A C 0.222 177.390 177.584 -0.693 0.000 1.688 285 A CA -0.242 51.541 52.037 -0.422 0.000 1.391 285 A CB -1.038 17.652 19.000 -0.516 0.000 1.112 285 A HN 0.153 nan 8.150 nan 0.000 0.588 286 I N 2.760 123.124 120.570 -0.342 0.000 2.316 286 I HA 0.232 4.399 4.170 -0.006 0.000 0.286 286 I C 1.193 177.199 176.117 -0.186 0.000 1.107 286 I CA -0.312 60.834 61.300 -0.255 0.000 1.219 286 I CB 1.016 38.958 38.000 -0.096 0.000 1.455 286 I HN 0.573 nan 8.210 nan 0.000 0.498 287 G N 4.444 113.131 108.800 -0.189 0.000 2.491 287 G HA2 0.132 4.089 3.960 -0.006 0.000 0.238 287 G HA3 0.132 4.089 3.960 -0.006 0.000 0.238 287 G C -0.538 174.389 174.900 0.044 0.000 1.277 287 G CA -0.211 44.882 45.100 -0.011 0.000 0.851 287 G HN 0.611 nan 8.290 nan 0.000 0.573 288 Q N 0.067 119.964 119.800 0.161 0.000 2.331 288 Q HA 0.497 4.834 4.340 -0.006 0.000 0.267 288 Q C -1.142 175.039 176.000 0.301 0.000 1.006 288 Q CA -0.489 55.453 55.803 0.232 0.000 0.818 288 Q CB 1.471 30.349 28.738 0.233 0.000 1.276 288 Q HN 0.423 nan 8.270 nan 0.000 0.450 289 T N 2.952 117.713 114.554 0.344 0.000 2.881 289 T HA 0.468 4.814 4.350 -0.006 0.000 0.291 289 T C -1.140 173.685 174.700 0.209 0.000 0.990 289 T CA -0.429 61.794 62.100 0.205 0.000 0.976 289 T CB 1.373 70.352 68.868 0.185 0.000 0.970 289 T HN 0.372 nan 8.240 nan 0.000 0.438 290 V N 4.084 124.037 119.914 0.064 0.000 2.531 290 V HA 0.557 4.673 4.120 -0.006 0.000 0.301 290 V C -1.047 174.994 176.094 -0.088 0.000 1.034 290 V CA -0.921 61.419 62.300 0.067 0.000 0.865 290 V CB 1.327 33.038 31.823 -0.186 0.000 0.995 290 V HN 0.816 nan 8.190 nan 0.000 0.424 291 F N 5.297 125.364 119.950 0.194 0.000 2.415 291 F HA 0.744 5.272 4.527 0.001 0.000 0.348 291 F C -0.215 175.682 175.800 0.162 0.000 1.119 291 F CA -0.562 57.523 58.000 0.142 0.000 1.069 291 F CB 1.584 40.637 39.000 0.088 0.000 1.124 291 F HN 0.219 nan 8.300 nan 0.000 0.472 292 L N 2.869 124.285 121.223 0.322 0.000 2.385 292 L HA 0.414 4.750 4.340 -0.006 0.000 0.273 292 L C -0.168 176.897 176.870 0.323 0.000 0.990 292 L CA -0.910 54.137 54.840 0.345 0.000 0.821 292 L CB 1.725 43.960 42.059 0.293 0.000 1.279 292 L HN 0.600 nan 8.230 nan 0.000 0.412 293 N N 0.127 119.018 118.700 0.318 0.000 2.714 293 N HA -0.186 4.550 4.740 -0.006 0.000 0.252 293 N C -0.770 174.954 175.510 0.356 0.000 1.014 293 N CA 0.978 54.209 53.050 0.301 0.000 0.735 293 N CB -0.873 37.768 38.487 0.257 0.000 0.924 293 N HN 0.676 nan 8.380 nan 0.000 0.540 294 T N -0.182 114.532 114.554 0.266 0.000 2.807 294 T HA 0.493 4.840 4.350 -0.006 0.000 0.279 294 T C 0.338 174.861 174.700 -0.294 0.000 0.993 294 T CA -0.735 61.423 62.100 0.098 0.000 0.970 294 T CB 1.326 70.308 68.868 0.190 0.000 0.950 294 T HN 0.274 nan 8.240 nan 0.000 0.441 295 S N 3.610 118.947 115.700 -0.604 0.000 2.584 295 S HA 0.700 5.166 4.470 -0.006 0.000 0.273 295 S C -0.319 174.001 174.600 -0.467 0.000 1.311 295 S CA -0.787 56.835 58.200 -0.964 0.000 1.034 295 S CB 0.280 62.942 63.200 -0.897 0.000 0.939 295 S HN 0.659 nan 8.310 nan 0.000 0.513 296 M N 2.379 121.731 119.600 -0.413 0.000 2.224 296 M HA 0.342 4.819 4.480 -0.006 0.000 0.281 296 M C -1.006 175.170 176.300 -0.207 0.000 1.025 296 M CA -0.649 54.463 55.300 -0.313 0.000 0.954 296 M CB 2.117 34.478 32.600 -0.399 0.000 1.639 296 M HN 0.696 nan 8.290 nan 0.000 0.461 297 D N 1.458 121.811 120.400 -0.078 0.000 2.398 297 D HA 0.099 4.735 4.640 -0.006 0.000 0.247 297 D C 0.771 177.068 176.300 -0.005 0.000 1.227 297 D CA 0.255 54.270 54.000 0.025 0.000 0.980 297 D CB 0.863 41.746 40.800 0.139 0.000 1.106 297 D HN 0.708 nan 8.370 nan 0.000 0.493 298 N N 0.587 119.311 118.700 0.040 0.000 2.515 298 N HA -0.166 4.570 4.740 -0.006 0.000 0.191 298 N C 1.270 176.804 175.510 0.039 0.000 1.182 298 N CA 0.628 53.677 53.050 -0.001 0.000 0.879 298 N CB -0.536 37.957 38.487 0.011 0.000 0.984 298 N HN 0.478 nan 8.380 nan 0.000 0.453 299 H N -0.522 118.524 119.070 -0.041 0.000 2.491 299 H HA 0.065 4.617 4.556 -0.006 0.000 0.290 299 H C 0.156 175.491 175.328 0.011 0.000 1.050 299 H CA -0.031 56.026 56.048 0.016 0.000 1.309 299 H CB -0.115 29.651 29.762 0.007 0.000 1.392 299 H HN 0.078 nan 8.280 nan 0.000 0.554 300 I N 3.041 123.282 120.570 -0.548 0.000 2.471 300 I HA -0.090 4.076 4.170 -0.006 0.000 0.286 300 I C 0.966 176.907 176.117 -0.293 0.000 1.079 300 I CA -0.312 60.658 61.300 -0.551 0.000 1.398 300 I CB 0.219 37.817 38.000 -0.670 0.000 1.403 300 I HN 0.279 nan 8.210 nan 0.000 0.530 301 Y N 4.215 124.393 120.300 -0.202 0.000 2.481 301 Y HA 0.607 5.154 4.550 -0.005 0.000 0.258 301 Y C 0.943 176.749 175.900 -0.157 0.000 1.103 301 Y CA 0.013 58.030 58.100 -0.138 0.000 1.287 301 Y CB -0.086 38.328 38.460 -0.078 0.000 1.108 301 Y HN 0.656 nan 8.280 nan 0.000 0.529 302 G N -0.606 107.924 108.800 -0.449 0.000 2.236 302 G HA2 -0.045 3.911 3.960 -0.006 0.000 0.231 302 G HA3 -0.045 3.911 3.960 -0.006 0.000 0.231 302 G C -1.554 173.021 174.900 -0.542 0.000 1.334 302 G CA -0.898 43.961 45.100 -0.402 0.000 1.137 302 G HN 0.208 nan 8.290 nan 0.000 0.482 303 W N 0.444 121.751 121.300 0.011 0.000 2.390 303 W HA 0.733 5.389 4.660 -0.007 0.000 0.362 303 W C 0.083 176.749 176.519 0.244 0.000 1.206 303 W CA 0.025 57.398 57.345 0.046 0.000 1.355 303 W CB 1.210 30.746 29.460 0.126 0.000 1.278 303 W HN 0.589 nan 8.180 nan 0.000 0.653 304 D N -0.414 120.309 120.400 0.538 0.000 2.579 304 D HA 0.251 4.887 4.640 -0.006 0.000 0.257 304 D C -0.972 175.568 176.300 0.400 0.000 1.176 304 D CA -0.702 53.574 54.000 0.460 0.000 0.914 304 D CB 1.909 43.026 40.800 0.528 0.000 1.431 304 D HN 0.381 nan 8.370 nan 0.000 0.454 305 K N -0.034 120.558 120.400 0.319 0.000 2.109 305 K HA 0.695 5.011 4.320 -0.006 0.000 0.243 305 K C -0.482 176.358 176.600 0.400 0.000 1.006 305 K CA -0.740 55.762 56.287 0.359 0.000 0.917 305 K CB 1.944 34.625 32.500 0.302 0.000 1.081 305 K HN 0.412 nan 8.250 nan 0.000 0.468 306 M N 1.303 121.198 119.600 0.492 0.000 2.421 306 M HA 0.189 4.666 4.480 -0.006 0.000 0.287 306 M C -1.465 174.968 176.300 0.222 0.000 1.183 306 M CA -0.423 55.088 55.300 0.351 0.000 0.916 306 M CB 2.583 35.339 32.600 0.260 0.000 1.701 306 M HN 0.993 nan 8.290 nan 0.000 0.470 307 S N 2.086 117.622 115.700 -0.273 0.000 2.651 307 S HA 1.008 5.474 4.470 -0.006 0.000 0.291 307 S C -0.304 174.191 174.600 -0.175 0.000 1.141 307 S CA -0.174 57.603 58.200 -0.705 0.000 1.027 307 S CB 1.906 64.133 63.200 -1.622 0.000 1.043 307 S HN 0.959 nan 8.310 nan 0.000 0.530 308 G N 0.806 109.530 108.800 -0.127 0.000 2.827 308 G HA2 0.616 4.572 3.960 -0.006 0.000 0.296 308 G HA3 0.616 4.572 3.960 -0.006 0.000 0.296 308 G C -1.722 173.167 174.900 -0.018 0.000 1.362 308 G CA -0.897 44.254 45.100 0.086 0.000 0.809 308 G HN 0.587 nan 8.290 nan 0.000 0.522 309 K N 1.285 121.732 120.400 0.077 0.000 2.244 309 K HA 0.383 4.699 4.320 -0.006 0.000 0.260 309 K C -0.608 176.062 176.600 0.116 0.000 0.951 309 K CA -0.556 55.761 56.287 0.050 0.000 0.826 309 K CB 2.039 34.578 32.500 0.065 0.000 1.108 309 K HN 0.791 nan 8.250 nan 0.000 0.433 310 D N 0.732 121.145 120.400 0.021 0.000 2.478 310 D HA 0.035 4.672 4.640 -0.006 0.000 0.269 310 D C 0.840 177.057 176.300 -0.138 0.000 1.232 310 D CA -0.332 53.650 54.000 -0.029 0.000 1.059 310 D CB 0.587 41.319 40.800 -0.113 0.000 1.104 310 D HN 0.414 nan 8.370 nan 0.000 0.566 311 K N -0.864 119.231 120.400 -0.509 0.000 2.360 311 K HA -0.082 4.235 4.320 -0.006 0.000 0.201 311 K C 0.517 176.965 176.600 -0.253 0.000 1.046 311 K CA 0.894 56.746 56.287 -0.724 0.000 0.945 311 K CB -0.345 31.529 32.500 -1.043 0.000 0.750 311 K HN 0.191 nan 8.250 nan 0.000 0.464 312 N N 0.299 118.898 118.700 -0.168 0.000 2.299 312 N HA 0.053 4.789 4.740 -0.006 0.000 0.187 312 N C 0.849 176.333 175.510 -0.044 0.000 1.099 312 N CA 0.889 53.887 53.050 -0.088 0.000 0.867 312 N CB 1.215 39.651 38.487 -0.085 0.000 0.974 312 N HN 0.528 nan 8.380 nan 0.000 0.477 313 G N 0.895 109.677 108.800 -0.030 0.000 2.175 313 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.244 313 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.244 313 G C -0.192 174.697 174.900 -0.018 0.000 0.982 313 G CA -0.277 44.821 45.100 -0.003 0.000 0.641 313 G HN 0.372 nan 8.290 nan 0.000 0.527 314 N N 0.799 119.475 118.700 -0.040 0.000 2.515 314 N HA 0.513 5.250 4.740 -0.006 0.000 0.279 314 N C 0.372 175.837 175.510 -0.075 0.000 1.164 314 N CA 0.220 53.241 53.050 -0.049 0.000 0.982 314 N CB 0.653 39.108 38.487 -0.053 0.000 1.170 314 N HN 0.114 nan 8.380 nan 0.000 0.474 315 T N 1.533 116.034 114.554 -0.087 0.000 2.902 315 T HA 0.133 4.479 4.350 -0.006 0.000 0.301 315 T C 0.077 174.645 174.700 -0.221 0.000 1.012 315 T CA 0.287 62.283 62.100 -0.173 0.000 1.151 315 T CB -0.130 68.645 68.868 -0.154 0.000 0.946 315 T HN 0.320 nan 8.240 nan 0.000 0.542 316 I N 2.611 122.960 120.570 -0.368 0.000 2.545 316 I HA 0.532 4.699 4.170 -0.006 0.000 0.292 316 I C -1.540 174.136 176.117 -0.735 0.000 1.040 316 I CA -1.293 59.728 61.300 -0.465 0.000 1.068 316 I CB 1.515 39.221 38.000 -0.490 0.000 1.251 316 I HN 0.657 nan 8.210 nan 0.000 0.424 317 W N 6.651 127.656 121.300 -0.490 0.000 2.433 317 W HA 0.494 5.150 4.660 -0.006 0.000 0.315 317 W C -1.113 175.066 176.519 -0.567 0.000 1.087 317 W CA -0.341 56.773 57.345 -0.386 0.000 1.205 317 W CB 1.363 30.722 29.460 -0.167 0.000 1.288 317 W HN 0.185 nan 8.180 nan 0.000 0.504 318 F N 3.729 123.770 119.950 0.151 0.000 2.411 318 F HA 0.351 4.878 4.527 -0.001 0.000 0.352 318 F C 0.410 176.298 175.800 0.147 0.000 1.123 318 F CA -0.957 57.062 58.000 0.033 0.000 1.044 318 F CB 0.624 39.532 39.000 -0.153 0.000 1.135 318 F HN 0.200 nan 8.300 nan 0.000 0.461 319 N N 4.891 123.734 118.700 0.238 0.000 2.456 319 N HA 0.292 5.028 4.740 -0.006 0.000 0.296 319 N C -1.846 173.725 175.510 0.102 0.000 1.102 319 N CA -1.791 51.361 53.050 0.170 0.000 0.924 319 N CB 1.623 40.167 38.487 0.094 0.000 1.186 319 N HN 0.208 nan 8.380 nan 0.000 0.492 320 P HA -0.157 nan 4.420 nan 0.000 0.218 320 P C 0.943 178.148 177.300 -0.158 0.000 1.149 320 P CA 1.322 64.473 63.100 0.085 0.000 0.817 320 P CB 0.345 32.295 31.700 0.416 0.000 0.785 321 E N 0.330 120.499 120.200 -0.052 0.000 2.265 321 E HA -0.174 4.172 4.350 -0.006 0.000 0.196 321 E C 0.625 177.151 176.600 -0.123 0.000 0.996 321 E CA 1.083 57.433 56.400 -0.084 0.000 0.832 321 E CB -0.883 28.811 29.700 -0.010 0.000 0.756 321 E HN 0.256 nan 8.360 nan 0.000 0.491 322 D N 0.678 121.010 120.400 -0.114 0.000 2.339 322 D HA 0.133 4.770 4.640 -0.006 0.000 0.217 322 D C 0.019 176.210 176.300 -0.182 0.000 1.050 322 D CA 0.136 54.082 54.000 -0.091 0.000 0.856 322 D CB 0.578 41.376 40.800 -0.003 0.000 0.922 322 D HN 0.005 nan 8.370 nan 0.000 0.518 323 S N -0.221 115.232 115.700 -0.412 0.000 2.718 323 S HA 0.429 4.896 4.470 -0.006 0.000 0.300 323 S C 0.519 174.673 174.600 -0.745 0.000 1.117 323 S CA -0.791 56.997 58.200 -0.687 0.000 1.002 323 S CB 1.939 64.332 63.200 -1.345 0.000 1.092 323 S HN -0.038 nan 8.310 nan 0.000 0.542 324 R N 1.021 121.164 120.500 -0.594 0.000 4.071 324 R HA 0.255 4.591 4.340 -0.006 0.000 0.220 324 R C -1.341 174.746 176.300 -0.356 0.000 1.614 324 R CA 0.010 55.936 56.100 -0.289 0.000 1.505 324 R CB -0.369 29.991 30.300 0.099 0.000 1.384 324 R HN 0.273 nan 8.270 nan 0.000 0.758 325 F N 1.675 120.979 119.950 -1.076 0.000 2.361 325 F HA 0.437 4.959 4.527 -0.009 0.000 0.364 325 F C -0.103 174.909 175.800 -1.314 0.000 1.117 325 F CA -1.542 55.632 58.000 -1.378 0.000 1.071 325 F CB 0.416 38.117 39.000 -2.165 0.000 1.188 325 F HN 0.060 nan 8.300 nan 0.000 0.464 326 F N 0.598 120.591 119.950 0.071 0.000 2.613 326 F HA 0.567 5.088 4.527 -0.009 0.000 0.314 326 F C -0.204 175.859 175.800 0.437 0.000 1.075 326 F CA -0.996 57.145 58.000 0.236 0.000 0.945 326 F CB 2.059 41.127 39.000 0.114 0.000 1.310 326 F HN 0.266 nan 8.300 nan 0.000 0.467 327 E N 0.232 120.786 120.200 0.590 0.000 2.336 327 E HA 0.447 4.793 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 -1.087 55.596 56.400 0.471 0.000 0.781 327 E CB 3.240 33.152 29.700 0.353 0.000 1.261 327 E HN 0.544 nan 8.360 nan 0.000 0.436 328 Y N 1.524 121.949 120.300 0.209 0.000 2.332 328 Y HA 0.205 4.752 4.550 -0.004 0.000 0.325 328 Y C -0.905 175.089 175.900 0.157 0.000 1.054 328 Y CA -0.876 57.319 58.100 0.159 0.000 1.119 328 Y CB 0.833 39.368 38.460 0.126 0.000 1.168 328 Y HN 0.533 nan 8.280 nan 0.000 0.439 329 K N 2.816 123.022 120.400 -0.323 0.000 3.148 329 K HA -0.160 4.156 4.320 -0.006 0.000 0.267 329 K C -0.303 176.321 176.600 0.040 0.000 0.996 329 K CA 1.031 57.167 56.287 -0.252 0.000 0.737 329 K CB -1.439 30.772 32.500 -0.482 0.000 1.308 329 K HN 0.627 nan 8.250 nan 0.000 0.470 330 S N 0.193 115.935 115.700 0.071 0.000 2.579 330 S HA 0.335 4.801 4.470 -0.006 0.000 0.275 330 S C -0.025 174.667 174.600 0.153 0.000 1.345 330 S CA -0.228 58.019 58.200 0.077 0.000 1.031 330 S CB 0.238 63.413 63.200 -0.042 0.000 0.892 330 S HN 0.382 nan 8.310 nan 0.000 0.529 331 Y N -1.685 118.584 120.300 -0.051 0.000 2.677 331 Y HA 0.806 5.352 4.550 -0.007 0.000 0.334 331 Y C 0.008 175.878 175.900 -0.050 0.000 1.154 331 Y CA -0.786 57.286 58.100 -0.046 0.000 1.070 331 Y CB 0.442 38.883 38.460 -0.030 0.000 1.294 331 Y HN 1.088 nan 8.280 nan 0.000 0.475 332 G N -0.314 108.505 108.800 0.032 0.000 2.746 332 G HA2 0.263 4.219 3.960 -0.006 0.000 0.685 332 G HA3 0.263 4.219 3.960 -0.006 0.000 0.685 332 G C 0.519 175.385 174.900 -0.057 0.000 1.350 332 G CA -0.031 45.033 45.100 -0.059 0.000 0.837 332 G HN 1.758 nan 8.290 nan 0.000 0.564 333 A N -0.349 122.443 122.820 -0.048 0.000 2.019 333 A HA 0.293 4.610 4.320 -0.006 0.000 0.219 333 A C 2.634 180.177 177.584 -0.068 0.000 1.164 333 A CA 2.495 54.509 52.037 -0.038 0.000 0.644 333 A CB -0.558 18.430 19.000 -0.019 0.000 0.805 333 A HN 2.364 nan 8.150 nan 0.000 0.449 334 G N -1.285 107.443 108.800 -0.121 0.000 2.920 334 G HA2 0.343 4.300 3.960 -0.006 0.000 0.208 334 G HA3 0.343 4.300 3.960 -0.006 0.000 0.208 334 G C 0.619 175.399 174.900 -0.199 0.000 1.159 334 G CA 0.570 45.560 45.100 -0.184 0.000 0.784 334 G HN 0.778 nan 8.290 nan 0.000 0.535 335 A N 1.623 124.356 122.820 -0.145 0.000 3.094 335 A HA 0.561 4.877 4.320 -0.006 0.000 0.288 335 A C 0.799 178.346 177.584 -0.061 0.000 1.519 335 A CA -0.222 51.743 52.037 -0.120 0.000 1.227 335 A CB -0.689 18.260 19.000 -0.085 0.000 1.175 335 A HN 0.265 nan 8.150 nan 0.000 0.568 336 T N -1.413 113.103 114.554 -0.063 0.000 2.907 336 T HA 0.581 4.927 4.350 -0.006 0.000 0.284 336 T C -0.288 174.417 174.700 0.009 0.000 1.004 336 T CA -0.649 61.439 62.100 -0.019 0.000 1.063 336 T CB 1.625 70.484 68.868 -0.014 0.000 0.992 336 T HN 0.170 nan 8.240 nan 0.000 0.483 337 V N 3.458 123.390 119.914 0.031 0.000 2.334 337 V HA 0.671 4.787 4.120 -0.006 0.000 0.281 337 V C 0.254 176.387 176.094 0.065 0.000 1.016 337 V CA -0.472 61.863 62.300 0.059 0.000 0.832 337 V CB 0.530 32.388 31.823 0.058 0.000 0.999 337 V HN 1.283 nan 8.190 nan 0.000 0.439 338 S N 4.208 119.959 115.700 0.086 0.000 2.720 338 S HA 0.497 4.963 4.470 -0.006 0.000 0.287 338 S C 0.734 175.396 174.600 0.105 0.000 1.168 338 S CA -0.729 57.521 58.200 0.084 0.000 0.832 338 S CB 1.895 65.140 63.200 0.076 0.000 1.166 338 S HN 0.594 nan 8.310 nan 0.000 0.493 339 K N 0.338 120.793 120.400 0.092 0.000 2.209 339 K HA -0.127 4.190 4.320 -0.006 0.000 0.204 339 K C 0.141 176.810 176.600 0.115 0.000 1.048 339 K CA 1.993 58.337 56.287 0.095 0.000 0.940 339 K CB -0.873 31.672 32.500 0.074 0.000 0.729 339 K HN 0.675 nan 8.250 nan 0.000 0.451 340 D N 0.505 120.983 120.400 0.130 0.000 2.355 340 D HA 0.029 4.666 4.640 -0.006 0.000 0.218 340 D C 0.040 176.502 176.300 0.269 0.000 1.004 340 D CA 0.372 54.476 54.000 0.173 0.000 0.880 340 D CB 0.206 41.106 40.800 0.167 0.000 0.911 340 D HN 0.125 nan 8.370 nan 0.000 0.528 341 R N 0.827 121.476 120.500 0.248 0.000 2.513 341 R HA 0.355 4.691 4.340 -0.006 0.000 0.283 341 R C -0.722 175.751 176.300 0.288 0.000 1.535 341 R CA -0.708 55.599 56.100 0.346 0.000 1.315 341 R CB 1.024 31.476 30.300 0.253 0.000 1.163 341 R HN -0.095 nan 8.270 nan 0.000 0.573 342 R N 1.368 122.027 120.500 0.265 0.000 2.590 342 R HA 0.061 4.397 4.340 -0.006 0.000 0.274 342 R C 0.106 176.644 176.300 0.397 0.000 1.061 342 R CA 0.294 56.567 56.100 0.287 0.000 1.081 342 R CB 0.512 30.971 30.300 0.264 0.000 0.984 342 R HN 0.236 nan 8.270 nan 0.000 0.448 343 Q N 2.368 122.375 119.800 0.345 0.000 2.342 343 Q HA 0.349 4.685 4.340 -0.006 0.000 0.267 343 Q C -0.443 175.734 176.000 0.296 0.000 1.038 343 Q CA -0.724 55.272 55.803 0.321 0.000 0.832 343 Q CB 2.170 31.044 28.738 0.227 0.000 1.323 343 Q HN 0.447 nan 8.270 nan 0.000 0.448 344 L N 1.527 122.934 121.223 0.307 0.000 2.395 344 L HA 0.304 4.641 4.340 -0.006 0.000 0.269 344 L C 1.111 178.138 176.870 0.262 0.000 1.133 344 L CA -0.444 54.512 54.840 0.193 0.000 0.812 344 L CB 0.661 42.786 42.059 0.111 0.000 1.125 344 L HN 0.710 nan 8.230 nan 0.000 0.452 345 T N -2.869 111.768 114.554 0.138 0.000 2.788 345 T HA 0.066 4.413 4.350 -0.006 0.000 0.287 345 T C 0.748 175.514 174.700 0.109 0.000 1.007 345 T CA -0.775 61.414 62.100 0.148 0.000 1.005 345 T CB 0.967 69.883 68.868 0.079 0.000 1.012 345 T HN 0.505 nan 8.240 nan 0.000 0.530 346 D N 0.958 121.450 120.400 0.154 0.000 2.123 346 D HA -0.106 4.531 4.640 -0.006 0.000 0.196 346 D C 2.364 178.639 176.300 -0.042 0.000 0.992 346 D CA 1.803 55.847 54.000 0.073 0.000 0.833 346 D CB -0.857 40.023 40.800 0.133 0.000 0.954 346 D HN 0.747 nan 8.370 nan 0.000 0.455 347 A N 0.721 123.539 122.820 -0.004 0.000 1.902 347 A HA -0.232 4.085 4.320 -0.006 0.000 0.217 347 A C 2.152 179.715 177.584 -0.035 0.000 1.181 347 A CA 1.507 53.534 52.037 -0.017 0.000 0.623 347 A CB -0.611 18.388 19.000 -0.002 0.000 0.818 347 A HN 0.226 nan 8.150 nan 0.000 0.443 348 Q N -0.838 118.942 119.800 -0.033 0.000 2.119 348 Q HA -0.039 4.298 4.340 -0.006 0.000 0.201 348 Q C 2.403 178.425 176.000 0.037 0.000 0.972 348 Q CA 1.150 56.946 55.803 -0.011 0.000 0.847 348 Q CB -0.350 28.376 28.738 -0.020 0.000 0.903 348 Q HN 0.687 nan 8.270 nan 0.000 0.433 349 A N 1.112 123.848 122.820 -0.140 0.000 1.933 349 A HA -0.123 4.193 4.320 -0.006 0.000 0.218 349 A C 2.246 179.795 177.584 -0.058 0.000 1.175 349 A CA 1.491 53.366 52.037 -0.270 0.000 0.628 349 A CB -0.692 17.588 19.000 -1.201 0.000 0.814 349 A HN 0.394 nan 8.150 nan 0.000 0.444 350 A N -0.442 122.330 122.820 -0.080 0.000 2.178 350 A HA -0.082 4.234 4.320 -0.006 0.000 0.218 350 A C 1.612 179.175 177.584 -0.035 0.000 1.157 350 A CA 1.386 53.399 52.037 -0.040 0.000 0.689 350 A CB -0.286 18.690 19.000 -0.039 0.000 0.787 350 A HN 0.455 nan 8.150 nan 0.000 0.465 351 E N -1.292 118.876 120.200 -0.053 0.000 2.502 351 E HA -0.028 4.319 4.350 -0.006 0.000 0.194 351 E C -0.260 176.149 176.600 -0.317 0.000 1.062 351 E CA 0.498 56.791 56.400 -0.179 0.000 0.867 351 E CB -0.160 29.375 29.700 -0.275 0.000 0.888 351 E HN 0.856 nan 8.360 nan 0.000 0.510 352 Y N 0.665 120.969 120.300 0.008 0.000 2.720 352 Y HA 0.078 4.625 4.550 -0.005 0.000 0.277 352 Y C 0.880 176.734 175.900 -0.078 0.000 1.144 352 Y CA -0.526 57.557 58.100 -0.028 0.000 1.221 352 Y CB 0.130 38.617 38.460 0.046 0.000 1.163 352 Y HN -0.158 nan 8.280 nan 0.000 0.537 353 T N -3.257 111.287 114.554 -0.018 0.000 2.860 353 T HA -0.036 4.310 4.350 -0.006 0.000 0.299 353 T C 1.337 175.966 174.700 -0.118 0.000 1.045 353 T CA -0.401 61.673 62.100 -0.043 0.000 1.071 353 T CB 1.338 70.172 68.868 -0.058 0.000 0.985 353 T HN 0.476 nan 8.240 nan 0.000 0.537 354 Q N 0.671 120.396 119.800 -0.125 0.000 2.112 354 Q HA -0.187 4.150 4.340 -0.006 0.000 0.206 354 Q C 2.412 178.259 176.000 -0.256 0.000 0.987 354 Q CA 1.998 57.664 55.803 -0.228 0.000 0.858 354 Q CB -0.528 28.026 28.738 -0.306 0.000 0.905 354 Q HN 0.864 nan 8.270 nan 0.000 0.420 355 S N -0.149 115.431 115.700 -0.200 0.000 2.359 355 S HA -0.178 4.288 4.470 -0.006 0.000 0.224 355 S C 1.772 176.279 174.600 -0.153 0.000 1.035 355 S CA 1.550 59.649 58.200 -0.169 0.000 1.018 355 S CB -0.062 63.064 63.200 -0.123 0.000 0.876 355 S HN 0.361 nan 8.310 nan 0.000 0.448 356 K N 0.170 120.467 120.400 -0.172 0.000 2.062 356 K HA 0.035 4.351 4.320 -0.006 0.000 0.205 356 K C 2.128 178.516 176.600 -0.354 0.000 1.051 356 K CA 1.256 57.437 56.287 -0.176 0.000 0.941 356 K CB -0.364 32.049 32.500 -0.145 0.000 0.719 356 K HN 0.298 nan 8.250 nan 0.000 0.440 357 V N 1.846 121.426 119.914 -0.557 0.000 2.358 357 V HA -0.172 3.944 4.120 -0.006 0.000 0.246 357 V C 2.076 178.017 176.094 -0.255 0.000 1.047 357 V CA 1.486 63.340 62.300 -0.744 0.000 1.035 357 V CB -0.303 31.209 31.823 -0.518 0.000 0.658 357 V HN 0.252 nan 8.190 nan 0.000 0.452 358 L N -0.708 120.414 121.223 -0.168 0.000 2.567 358 L HA 0.369 4.705 4.340 -0.006 0.000 0.225 358 L C 1.660 178.554 176.870 0.041 0.000 1.119 358 L CA 0.622 55.452 54.840 -0.016 0.000 0.871 358 L CB -0.660 41.317 42.059 -0.137 0.000 1.036 358 L HN 0.535 nan 8.230 nan 0.000 0.459 359 G N 2.268 111.055 108.800 -0.021 0.000 2.591 359 G HA2 -0.436 3.520 3.960 -0.006 0.000 0.298 359 G HA3 -0.436 3.520 3.960 -0.006 0.000 0.298 359 G C 0.454 175.359 174.900 0.008 0.000 1.195 359 G CA 0.522 45.628 45.100 0.010 0.000 0.989 359 G HN 0.518 nan 8.290 nan 0.000 0.551 360 D N -0.135 120.292 120.400 0.045 0.000 2.352 360 D HA 0.154 4.791 4.640 -0.006 0.000 0.232 360 D C 0.597 176.957 176.300 0.100 0.000 1.055 360 D CA 0.549 54.575 54.000 0.042 0.000 0.891 360 D CB -0.162 40.659 40.800 0.035 0.000 0.897 360 D HN 0.480 nan 8.370 nan 0.000 0.529 361 W N 1.747 122.984 121.300 -0.104 0.000 2.335 361 W HA 0.482 5.148 4.660 0.010 0.000 0.307 361 W C -0.928 175.481 176.519 -0.182 0.000 1.117 361 W CA -1.012 56.259 57.345 -0.124 0.000 1.228 361 W CB 1.129 30.520 29.460 -0.114 0.000 1.240 361 W HN -0.324 nan 8.180 nan 0.000 0.468 362 T N 9.225 123.504 114.554 -0.458 0.000 2.781 362 T HA 0.269 4.615 4.350 -0.006 0.000 0.305 362 T C -2.448 171.676 174.700 -0.960 0.000 1.001 362 T CA -1.260 60.435 62.100 -0.676 0.000 0.950 362 T CB 0.831 69.494 68.868 -0.341 0.000 0.955 362 T HN 0.140 nan 8.240 nan 0.000 0.471 363 P HA 0.188 nan 4.420 nan 0.000 0.266 363 P C -0.162 176.770 177.300 -0.613 0.000 1.215 363 P CA -0.064 62.258 63.100 -1.296 0.000 0.763 363 P CB 0.241 30.805 31.700 -1.893 0.000 0.806 364 T N 1.149 115.640 114.554 -0.106 0.000 2.900 364 T HA 0.668 5.014 4.350 -0.006 0.000 0.295 364 T C -0.532 174.309 174.700 0.235 0.000 1.044 364 T CA -0.933 61.217 62.100 0.084 0.000 0.995 364 T CB 0.820 69.688 68.868 -0.000 0.000 1.072 364 T HN 0.038 nan 8.240 nan 0.000 0.473 365 L N 2.177 123.491 121.223 0.151 0.000 2.344 365 L HA 0.589 4.926 4.340 -0.006 0.000 0.272 365 L C -1.614 175.181 176.870 -0.126 0.000 1.035 365 L CA -2.130 52.703 54.840 -0.012 0.000 0.807 365 L CB 0.679 42.709 42.059 -0.049 0.000 1.237 365 L HN 0.607 nan 8.230 nan 0.000 0.442 366 P HA 0.000 nan 4.420 nan 0.000 0.216 366 P CA 0.000 62.937 63.100 -0.272 0.000 0.800 366 P CB 0.000 31.481 31.700 -0.365 0.000 0.726