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 2nt9_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 0.000 177.505 177.584 -0.131 0.000 1.274 25 A CA 0.000 51.982 52.037 -0.091 0.000 0.836 25 A CB 0.000 18.953 19.000 -0.079 0.000 0.831 26 T N -0.529 113.920 114.554 -0.176 0.000 2.890 26 T HA 0.775 5.122 4.350 -0.005 0.000 0.295 26 T C -0.467 173.978 174.700 -0.425 0.000 0.993 26 T CA -0.280 61.647 62.100 -0.287 0.000 0.979 26 T CB 1.574 70.278 68.868 -0.273 0.000 0.967 26 T HN 1.591 nan 8.240 nan 0.000 0.441 27 T N 2.552 116.819 114.554 -0.478 0.000 2.912 27 T HA 0.638 4.985 4.350 -0.005 0.000 0.299 27 T C -1.701 172.708 174.700 -0.485 0.000 1.052 27 T CA -0.585 61.243 62.100 -0.454 0.000 0.996 27 T CB 0.920 69.656 68.868 -0.219 0.000 1.070 27 T HN 0.519 nan 8.240 nan 0.000 0.465 28 Y N 3.310 123.551 120.300 -0.099 0.000 2.387 28 Y HA 0.417 4.963 4.550 -0.007 0.000 0.336 28 Y C 1.345 177.131 175.900 -0.189 0.000 1.067 28 Y CA -1.117 56.898 58.100 -0.141 0.000 1.114 28 Y CB 1.442 39.842 38.460 -0.100 0.000 1.208 28 Y HN 0.683 nan 8.280 nan 0.000 0.458 29 N N 1.224 119.805 118.700 -0.198 0.000 2.416 29 N HA 0.297 5.033 4.740 -0.005 0.000 0.177 29 N C -0.331 175.027 175.510 -0.252 0.000 1.036 29 N CA 0.731 53.533 53.050 -0.412 0.000 0.901 29 N CB 0.444 38.242 38.487 -1.149 0.000 0.976 29 N HN 0.630 nan 8.380 nan 0.000 0.444 30 A N -0.427 122.300 122.820 -0.155 0.000 2.594 30 A HA 0.665 4.982 4.320 -0.005 0.000 0.295 30 A C -1.578 176.048 177.584 0.069 0.000 1.071 30 A CA -0.563 51.535 52.037 0.102 0.000 0.685 30 A CB 1.262 20.365 19.000 0.172 0.000 1.285 30 A HN -0.133 nan 8.150 nan 0.000 0.405 31 V N 1.093 121.108 119.914 0.169 0.000 2.588 31 V HA 0.599 4.716 4.120 -0.005 0.000 0.304 31 V C -0.543 175.639 176.094 0.147 0.000 1.042 31 V CA -0.612 61.720 62.300 0.053 0.000 0.877 31 V CB 1.717 33.546 31.823 0.010 0.000 0.996 31 V HN 0.756 nan 8.190 nan 0.000 0.425 32 V N 3.905 123.846 119.914 0.046 0.000 2.459 32 V HA 0.847 4.964 4.120 -0.005 0.000 0.295 32 V C 0.051 176.203 176.094 0.097 0.000 1.029 32 V CA -0.158 62.186 62.300 0.074 0.000 0.874 32 V CB 1.799 33.565 31.823 -0.095 0.000 0.985 32 V HN 1.083 nan 8.190 nan 0.000 0.438 33 S N 3.855 119.663 115.700 0.179 0.000 2.596 33 S HA 0.550 5.016 4.470 -0.005 0.000 0.270 33 S C 0.049 174.776 174.600 0.211 0.000 1.155 33 S CA -0.911 57.412 58.200 0.205 0.000 0.827 33 S CB 2.232 65.496 63.200 0.106 0.000 1.130 33 S HN 0.387 nan 8.310 nan 0.000 0.467 34 K N 0.922 121.405 120.400 0.138 0.000 2.228 34 K HA 0.243 4.560 4.320 -0.005 0.000 0.202 34 K C 0.419 177.040 176.600 0.035 0.000 1.051 34 K CA 0.493 56.806 56.287 0.043 0.000 0.960 34 K CB -0.349 32.118 32.500 -0.055 0.000 0.743 34 K HN 0.626 nan 8.250 nan 0.000 0.458 35 S N 0.876 116.600 115.700 0.040 0.000 2.586 35 S HA 0.090 4.557 4.470 -0.005 0.000 0.274 35 S C 1.211 175.827 174.600 0.027 0.000 1.281 35 S CA -0.386 57.830 58.200 0.025 0.000 1.035 35 S CB 1.605 64.817 63.200 0.021 0.000 0.962 35 S HN 0.307 nan 8.310 nan 0.000 0.512 36 S N 0.901 116.611 115.700 0.016 0.000 2.486 36 S HA -0.014 4.453 4.470 -0.005 0.000 0.220 36 S C 1.726 176.329 174.600 0.005 0.000 1.011 36 S CA 0.498 58.704 58.200 0.009 0.000 0.921 36 S CB -0.268 62.936 63.200 0.006 0.000 0.785 36 S HN 0.574 nan 8.310 nan 0.000 0.517 37 S N 1.539 117.243 115.700 0.007 0.000 2.547 37 S HA -0.082 4.385 4.470 -0.005 0.000 0.235 37 S C 1.283 175.887 174.600 0.007 0.000 0.980 37 S CA 1.027 59.230 58.200 0.005 0.000 0.941 37 S CB -0.700 62.504 63.200 0.006 0.000 0.763 37 S HN 0.584 nan 8.310 nan 0.000 0.532 38 D N -0.307 120.099 120.400 0.011 0.000 2.224 38 D HA 0.248 4.884 4.640 -0.005 0.000 0.205 38 D C 1.258 177.562 176.300 0.007 0.000 0.965 38 D CA 1.270 55.278 54.000 0.013 0.000 0.852 38 D CB 0.118 40.932 40.800 0.023 0.000 0.947 38 D HN 0.569 nan 8.370 nan 0.000 0.494 39 G N 0.151 108.951 108.800 -0.001 0.000 2.541 39 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.208 39 G HA3 -0.204 3.753 3.960 -0.005 0.000 0.208 39 G C -0.966 173.918 174.900 -0.027 0.000 1.191 39 G CA -0.211 44.883 45.100 -0.010 0.000 1.217 39 G HN 0.264 nan 8.290 nan 0.000 0.566 40 K N 1.617 121.997 120.400 -0.033 0.000 2.502 40 K HA 0.481 4.797 4.320 -0.005 0.000 0.244 40 K C 0.054 176.600 176.600 -0.090 0.000 1.249 40 K CA 0.429 56.674 56.287 -0.070 0.000 1.193 40 K CB 0.057 32.524 32.500 -0.056 0.000 1.674 40 K HN 0.818 nan 8.250 nan 0.000 0.302 41 T N -1.916 112.584 114.554 -0.090 0.000 2.908 41 T HA 0.495 4.842 4.350 -0.005 0.000 0.290 41 T C -0.274 174.366 174.700 -0.101 0.000 1.034 41 T CA -0.852 61.224 62.100 -0.041 0.000 1.010 41 T CB 0.736 69.626 68.868 0.037 0.000 1.068 41 T HN 0.174 nan 8.240 nan 0.000 0.481 42 F N 1.306 121.277 119.950 0.036 0.000 2.418 42 F HA 0.408 4.933 4.527 -0.003 0.000 0.341 42 F C 1.944 177.781 175.800 0.062 0.000 1.120 42 F CA -0.532 57.495 58.000 0.045 0.000 1.232 42 F CB 1.101 40.126 39.000 0.042 0.000 1.175 42 F HN 0.580 nan 8.300 nan 0.000 0.569 43 K N 0.000 120.554 120.400 0.256 0.000 2.262 43 K HA 0.048 4.365 4.320 -0.005 0.000 0.200 43 K C 0.574 177.325 176.600 0.252 0.000 1.049 43 K CA 0.772 57.185 56.287 0.209 0.000 0.979 43 K CB 0.111 32.696 32.500 0.141 0.000 0.773 43 K HN 0.738 nan 8.250 nan 0.000 0.474 44 T N -2.462 112.226 114.554 0.222 0.000 2.908 44 T HA 0.418 4.765 4.350 -0.005 0.000 0.290 44 T C 1.214 175.941 174.700 0.046 0.000 1.034 44 T CA -0.808 61.391 62.100 0.166 0.000 1.010 44 T CB 1.569 70.518 68.868 0.134 0.000 1.068 44 T HN -0.111 nan 8.240 nan 0.000 0.481 45 I N 1.464 122.004 120.570 -0.051 0.000 2.252 45 I HA -0.007 4.160 4.170 -0.005 0.000 0.245 45 I C 3.008 179.068 176.117 -0.096 0.000 1.102 45 I CA 1.325 62.546 61.300 -0.131 0.000 1.385 45 I CB -0.691 37.204 38.000 -0.175 0.000 1.064 45 I HN 0.875 nan 8.210 nan 0.000 0.414 46 A N 0.764 123.557 122.820 -0.045 0.000 1.908 46 A HA -0.254 4.063 4.320 -0.005 0.000 0.218 46 A C 1.951 179.488 177.584 -0.078 0.000 1.181 46 A CA 2.175 54.185 52.037 -0.044 0.000 0.627 46 A CB -0.606 18.391 19.000 -0.005 0.000 0.818 46 A HN 0.346 nan 8.150 nan 0.000 0.445 47 D N 0.055 120.422 120.400 -0.056 0.000 2.097 47 D HA -0.067 4.570 4.640 -0.005 0.000 0.195 47 D C 2.279 178.331 176.300 -0.413 0.000 0.989 47 D CA 1.634 55.593 54.000 -0.068 0.000 0.827 47 D CB -0.541 40.354 40.800 0.158 0.000 0.966 47 D HN 0.423 nan 8.370 nan 0.000 0.456 48 A N 0.684 123.104 122.820 -0.666 0.000 1.902 48 A HA -0.148 4.169 4.320 -0.005 0.000 0.217 48 A C 2.404 179.725 177.584 -0.438 0.000 1.181 48 A CA 0.992 52.410 52.037 -1.033 0.000 0.623 48 A CB -0.727 17.907 19.000 -0.609 0.000 0.818 48 A HN 0.203 nan 8.150 nan 0.000 0.443 49 I N -0.322 120.097 120.570 -0.252 0.000 2.202 49 I HA -0.262 3.905 4.170 -0.005 0.000 0.242 49 I C 2.960 178.918 176.117 -0.265 0.000 1.091 49 I CA 1.056 62.244 61.300 -0.187 0.000 1.368 49 I CB -0.365 37.574 38.000 -0.101 0.000 1.058 49 I HN 0.347 nan 8.210 nan 0.000 0.410 50 A N 0.688 123.383 122.820 -0.208 0.000 1.978 50 A HA -0.232 4.085 4.320 -0.005 0.000 0.220 50 A C 2.438 179.910 177.584 -0.188 0.000 1.170 50 A CA 2.100 54.038 52.037 -0.165 0.000 0.636 50 A CB -0.817 18.128 19.000 -0.092 0.000 0.810 50 A HN 0.548 nan 8.150 nan 0.000 0.448 51 S N -0.013 115.553 115.700 -0.224 0.000 2.474 51 S HA 0.320 4.787 4.470 -0.005 0.000 0.235 51 S C 1.031 175.484 174.600 -0.246 0.000 0.997 51 S CA 0.477 58.599 58.200 -0.130 0.000 0.949 51 S CB -0.800 62.390 63.200 -0.017 0.000 0.766 51 S HN 1.015 nan 8.310 nan 0.000 0.517 52 A N 3.972 126.416 122.820 -0.626 0.000 2.520 52 A HA 0.459 4.776 4.320 -0.005 0.000 0.245 52 A C -1.699 175.624 177.584 -0.436 0.000 1.072 52 A CA -1.270 50.122 52.037 -1.075 0.000 0.761 52 A CB -0.399 17.675 19.000 -1.543 0.000 1.004 52 A HN 0.462 nan 8.150 nan 0.000 0.499 53 P HA 0.208 nan 4.420 nan 0.000 0.267 53 P C 0.073 177.309 177.300 -0.106 0.000 1.200 53 P CA 0.211 63.257 63.100 -0.090 0.000 0.772 53 P CB 0.485 32.187 31.700 0.004 0.000 0.855 54 A N 1.967 124.744 122.820 -0.072 0.000 2.498 54 A HA 0.523 4.840 4.320 -0.005 0.000 0.239 54 A C 0.964 178.525 177.584 -0.039 0.000 1.068 54 A CA 1.040 53.040 52.037 -0.062 0.000 0.766 54 A CB -0.898 18.075 19.000 -0.045 0.000 1.003 54 A HN 0.946 nan 8.150 nan 0.000 0.497 55 G N -0.126 108.651 108.800 -0.038 0.000 2.265 55 G HA2 0.345 4.302 3.960 -0.005 0.000 0.246 55 G HA3 0.345 4.302 3.960 -0.005 0.000 0.246 55 G C 0.149 175.041 174.900 -0.014 0.000 1.299 55 G CA 0.444 45.533 45.100 -0.019 0.000 1.117 55 G HN 2.106 nan 8.290 nan 0.000 0.485 56 S N -1.233 114.471 115.700 0.006 0.000 3.053 56 S HA 0.435 4.902 4.470 -0.005 0.000 0.255 56 S C 0.562 175.189 174.600 0.044 0.000 0.976 56 S CA 1.034 59.244 58.200 0.016 0.000 1.159 56 S CB -0.114 63.087 63.200 0.003 0.000 1.110 56 S HN 2.006 nan 8.310 nan 0.000 0.633 57 T N 2.191 116.781 114.554 0.059 0.000 2.926 57 T HA 0.403 4.749 4.350 -0.005 0.000 0.307 57 T C -2.689 172.091 174.700 0.133 0.000 1.059 57 T CA -1.275 60.875 62.100 0.083 0.000 1.122 57 T CB -0.099 68.820 68.868 0.084 0.000 0.972 57 T HN 0.119 nan 8.240 nan 0.000 0.545 58 P HA 0.205 nan 4.420 nan 0.000 0.265 58 P C -1.179 176.271 177.300 0.251 0.000 1.193 58 P CA -0.215 63.009 63.100 0.207 0.000 0.765 58 P CB 0.116 31.884 31.700 0.114 0.000 0.823 59 F N 3.884 123.914 119.950 0.135 0.000 2.499 59 F HA 0.350 4.873 4.527 -0.007 0.000 0.333 59 F C -0.939 174.933 175.800 0.120 0.000 1.138 59 F CA -0.745 57.307 58.000 0.087 0.000 0.945 59 F CB 1.416 40.436 39.000 0.033 0.000 1.181 59 F HN -0.010 nan 8.300 nan 0.000 0.435 60 V N 7.439 127.239 119.914 -0.190 0.000 2.409 60 V HA 0.456 4.572 4.120 -0.005 0.000 0.291 60 V C -0.104 175.926 176.094 -0.106 0.000 1.020 60 V CA -0.697 61.586 62.300 -0.030 0.000 0.848 60 V CB 1.567 33.400 31.823 0.016 0.000 0.990 60 V HN 0.554 nan 8.190 nan 0.000 0.430 61 I N 5.562 126.120 120.570 -0.020 0.000 2.362 61 I HA 0.391 4.557 4.170 -0.005 0.000 0.289 61 I C -0.573 175.446 176.117 -0.164 0.000 0.994 61 I CA -0.709 60.548 61.300 -0.071 0.000 1.158 61 I CB 1.815 39.814 38.000 -0.002 0.000 1.315 61 I HN 0.436 nan 8.210 nan 0.000 0.451 62 L N 8.411 129.415 121.223 -0.367 0.000 2.305 62 L HA 0.507 4.844 4.340 -0.005 0.000 0.281 62 L C -0.617 176.082 176.870 -0.284 0.000 1.085 62 L CA 0.252 54.765 54.840 -0.545 0.000 0.813 62 L CB 0.657 42.033 42.059 -1.137 0.000 1.157 62 L HN 0.409 nan 8.230 nan 0.000 0.436 63 I N 6.008 126.449 120.570 -0.215 0.000 2.354 63 I HA 0.324 4.490 4.170 -0.005 0.000 0.286 63 I C -0.078 176.001 176.117 -0.063 0.000 1.007 63 I CA -0.853 60.346 61.300 -0.168 0.000 1.167 63 I CB 0.854 38.724 38.000 -0.218 0.000 1.320 63 I HN 0.490 nan 8.210 nan 0.000 0.458 64 K N 4.125 124.533 120.400 0.012 0.000 2.219 64 K HA 0.220 4.537 4.320 -0.005 0.000 0.258 64 K C -0.072 176.632 176.600 0.173 0.000 1.008 64 K CA -0.591 55.739 56.287 0.072 0.000 0.928 64 K CB 0.438 32.981 32.500 0.072 0.000 0.983 64 K HN 0.406 nan 8.250 nan 0.000 0.484 65 N N 0.640 119.406 118.700 0.110 0.000 2.293 65 N HA 0.083 4.820 4.740 -0.005 0.000 0.253 65 N C 0.455 176.019 175.510 0.089 0.000 1.248 65 N CA 1.024 54.135 53.050 0.102 0.000 0.845 65 N CB 0.333 38.849 38.487 0.049 0.000 1.073 65 N HN 0.729 nan 8.380 nan 0.000 0.464 66 G N -0.798 108.032 108.800 0.049 0.000 2.350 66 G HA2 0.136 4.093 3.960 -0.005 0.000 0.305 66 G HA3 0.136 4.093 3.960 -0.005 0.000 0.305 66 G C -1.678 173.099 174.900 -0.206 0.000 1.479 66 G CA -0.857 44.141 45.100 -0.170 0.000 0.949 66 G HN 0.337 nan 8.290 nan 0.000 0.651 67 V N 1.129 120.860 119.914 -0.305 0.000 2.333 67 V HA 0.464 4.581 4.120 -0.005 0.000 0.274 67 V C -0.891 175.032 176.094 -0.285 0.000 1.028 67 V CA -0.536 61.667 62.300 -0.162 0.000 0.851 67 V CB 0.604 32.382 31.823 -0.076 0.000 1.000 67 V HN 0.551 nan 8.190 nan 0.000 0.456 68 Y N 3.151 123.467 120.300 0.027 0.000 2.504 68 Y HA 0.286 4.833 4.550 -0.004 0.000 0.339 68 Y C 0.982 176.898 175.900 0.028 0.000 0.974 68 Y CA -0.453 57.665 58.100 0.030 0.000 1.232 68 Y CB 0.607 39.087 38.460 0.033 0.000 1.108 68 Y HN 0.619 nan 8.280 nan 0.000 0.509 69 N N 4.790 123.558 118.700 0.113 0.000 2.549 69 N HA 0.069 4.806 4.740 -0.005 0.000 0.267 69 N C -1.006 174.556 175.510 0.086 0.000 1.182 69 N CA 0.153 53.251 53.050 0.080 0.000 1.019 69 N CB 0.192 38.706 38.487 0.046 0.000 1.380 69 N HN 0.758 nan 8.380 nan 0.000 0.505 70 E N 1.999 122.251 120.200 0.086 0.000 2.366 70 E HA 0.359 4.705 4.350 -0.005 0.000 0.278 70 E C -1.064 175.556 176.600 0.034 0.000 0.923 70 E CA -0.792 55.648 56.400 0.067 0.000 0.761 70 E CB 2.233 31.985 29.700 0.087 0.000 1.231 70 E HN 0.385 nan 8.360 nan 0.000 0.443 71 R N 1.827 122.333 120.500 0.010 0.000 2.494 71 R HA 0.566 4.903 4.340 -0.005 0.000 0.305 71 R C -0.772 175.522 176.300 -0.010 0.000 0.959 71 R CA -0.613 55.476 56.100 -0.018 0.000 0.864 71 R CB 1.263 31.521 30.300 -0.070 0.000 1.159 71 R HN 0.310 nan 8.270 nan 0.000 0.446 72 L N 1.636 122.851 121.223 -0.013 0.000 2.365 72 L HA 0.550 4.886 4.340 -0.005 0.000 0.273 72 L C -0.336 176.509 176.870 -0.042 0.000 1.000 72 L CA -0.794 54.033 54.840 -0.022 0.000 0.819 72 L CB 2.502 44.550 42.059 -0.018 0.000 1.284 72 L HN 0.532 nan 8.230 nan 0.000 0.418 73 T N 3.648 118.172 114.554 -0.049 0.000 2.809 73 T HA 0.515 4.862 4.350 -0.005 0.000 0.284 73 T C -0.336 174.304 174.700 -0.099 0.000 0.992 73 T CA -0.378 61.678 62.100 -0.074 0.000 0.957 73 T CB 1.278 70.121 68.868 -0.042 0.000 0.942 73 T HN 0.154 nan 8.240 nan 0.000 0.439 74 I N 4.589 125.066 120.570 -0.156 0.000 2.297 74 I HA 0.267 4.434 4.170 -0.005 0.000 0.291 74 I C 1.545 177.576 176.117 -0.143 0.000 1.033 74 I CA -0.484 60.720 61.300 -0.159 0.000 1.253 74 I CB 0.506 38.343 38.000 -0.272 0.000 1.396 74 I HN 0.778 nan 8.210 nan 0.000 0.476 75 T N 2.323 116.814 114.554 -0.105 0.000 3.040 75 T HA 0.204 4.550 4.350 -0.005 0.000 0.266 75 T C 0.829 175.480 174.700 -0.083 0.000 1.005 75 T CA -0.282 61.761 62.100 -0.095 0.000 0.906 75 T CB 0.461 69.281 68.868 -0.080 0.000 1.082 75 T HN 0.434 nan 8.240 nan 0.000 0.531 76 R N 2.040 122.493 120.500 -0.078 0.000 2.254 76 R HA 0.347 4.684 4.340 -0.005 0.000 0.318 76 R C -0.730 175.538 176.300 -0.053 0.000 1.031 76 R CA -0.611 55.446 56.100 -0.072 0.000 0.905 76 R CB 0.440 30.683 30.300 -0.096 0.000 1.050 76 R HN 0.156 nan 8.270 nan 0.000 0.456 77 N N 2.692 121.361 118.700 -0.051 0.000 2.453 77 N HA -0.065 4.672 4.740 -0.005 0.000 0.253 77 N C 0.144 175.631 175.510 -0.038 0.000 1.252 77 N CA 0.332 53.355 53.050 -0.046 0.000 0.917 77 N CB 0.316 38.778 38.487 -0.042 0.000 1.117 77 N HN 0.654 nan 8.380 nan 0.000 0.442 78 N N -0.344 118.317 118.700 -0.064 0.000 2.754 78 N HA -0.198 4.539 4.740 -0.005 0.000 0.248 78 N C -1.173 174.224 175.510 -0.190 0.000 1.093 78 N CA 0.301 53.315 53.050 -0.060 0.000 0.699 78 N CB -1.099 37.440 38.487 0.087 0.000 1.016 78 N HN 0.532 nan 8.380 nan 0.000 0.552 79 L N 1.574 122.615 121.223 -0.305 0.000 2.307 79 L HA 0.487 4.824 4.340 -0.005 0.000 0.282 79 L C -0.280 176.157 176.870 -0.722 0.000 1.051 79 L CA -0.350 54.355 54.840 -0.226 0.000 0.804 79 L CB 0.956 43.040 42.059 0.042 0.000 1.197 79 L HN 0.169 nan 8.230 nan 0.000 0.431 80 H N 6.162 125.164 119.070 -0.114 0.000 2.759 80 H HA 0.450 5.002 4.556 -0.007 0.000 0.354 80 H C -1.203 174.000 175.328 -0.208 0.000 1.074 80 H CA -0.631 55.231 56.048 -0.309 0.000 1.226 80 H CB 1.644 31.287 29.762 -0.198 0.000 1.648 80 H HN 0.530 nan 8.280 nan 0.000 0.529 81 L N 2.389 123.483 121.223 -0.215 0.000 2.329 81 L HA 0.483 4.820 4.340 -0.005 0.000 0.279 81 L C 0.076 176.894 176.870 -0.086 0.000 1.014 81 L CA -0.616 54.171 54.840 -0.088 0.000 0.814 81 L CB 2.035 44.092 42.059 -0.004 0.000 1.257 81 L HN 0.333 nan 8.230 nan 0.000 0.424 82 K N 1.771 122.131 120.400 -0.066 0.000 2.545 82 K HA 0.528 4.845 4.320 -0.005 0.000 0.252 82 K C -0.311 176.240 176.600 -0.081 0.000 0.948 82 K CA -0.428 55.825 56.287 -0.058 0.000 0.827 82 K CB 1.857 34.356 32.500 -0.001 0.000 1.128 82 K HN 0.769 nan 8.250 nan 0.000 0.429 83 G N 1.797 110.572 108.800 -0.042 0.000 2.507 83 G HA2 0.025 3.982 3.960 -0.005 0.000 0.271 83 G HA3 0.025 3.982 3.960 -0.005 0.000 0.271 83 G C 0.391 175.278 174.900 -0.021 0.000 1.189 83 G CA -0.317 44.767 45.100 -0.027 0.000 0.859 83 G HN 0.879 nan 8.290 nan 0.000 0.542 84 E N -0.521 119.673 120.200 -0.011 0.000 2.110 84 E HA -0.046 4.301 4.350 -0.005 0.000 0.193 84 E C 0.871 177.479 176.600 0.014 0.000 0.988 84 E CA 1.228 57.627 56.400 -0.001 0.000 0.804 84 E CB 0.101 29.807 29.700 0.011 0.000 0.745 84 E HN 0.494 nan 8.360 nan 0.000 0.458 85 S N -2.004 113.710 115.700 0.024 0.000 2.547 85 S HA 0.301 4.768 4.470 -0.005 0.000 0.270 85 S C 0.043 174.663 174.600 0.033 0.000 1.150 85 S CA -0.921 57.294 58.200 0.025 0.000 0.850 85 S CB 1.650 64.865 63.200 0.025 0.000 1.118 85 S HN 0.166 nan 8.310 nan 0.000 0.461 86 R N 1.646 122.165 120.500 0.031 0.000 2.081 86 R HA -0.067 4.269 4.340 -0.005 0.000 0.235 86 R C 1.668 177.990 176.300 0.037 0.000 1.131 86 R CA 2.070 58.193 56.100 0.038 0.000 0.960 86 R CB -0.610 29.712 30.300 0.036 0.000 0.856 86 R HN 0.853 nan 8.270 nan 0.000 0.436 87 N N -1.458 117.259 118.700 0.029 0.000 2.166 87 N HA -0.117 4.620 4.740 -0.005 0.000 0.186 87 N C 1.476 177.002 175.510 0.027 0.000 1.019 87 N CA 1.073 54.137 53.050 0.023 0.000 0.856 87 N CB -0.037 38.460 38.487 0.016 0.000 0.993 87 N HN 0.339 nan 8.380 nan 0.000 0.426 88 G N -0.612 108.209 108.800 0.034 0.000 2.850 88 G HA2 0.342 4.299 3.960 -0.005 0.000 0.211 88 G HA3 0.342 4.299 3.960 -0.005 0.000 0.211 88 G C 0.023 174.963 174.900 0.067 0.000 1.124 88 G CA -0.089 45.034 45.100 0.039 0.000 0.769 88 G HN 0.261 nan 8.290 nan 0.000 0.535 89 A N 0.903 123.774 122.820 0.084 0.000 2.294 89 A HA 0.670 4.986 4.320 -0.005 0.000 0.316 89 A C -0.887 176.782 177.584 0.141 0.000 1.359 89 A CA -0.283 51.837 52.037 0.139 0.000 0.956 89 A CB 0.852 19.915 19.000 0.104 0.000 1.155 89 A HN 0.211 nan 8.150 nan 0.000 0.544 90 V N 4.307 124.335 119.914 0.191 0.000 2.588 90 V HA 0.439 4.555 4.120 -0.005 0.000 0.304 90 V C -0.354 175.873 176.094 0.222 0.000 1.042 90 V CA -0.306 62.086 62.300 0.154 0.000 0.877 90 V CB 1.639 33.517 31.823 0.092 0.000 0.996 90 V HN 0.740 nan 8.190 nan 0.000 0.425 91 I N 3.900 124.567 120.570 0.162 0.000 2.362 91 I HA 0.835 5.001 4.170 -0.005 0.000 0.289 91 I C 0.123 176.304 176.117 0.108 0.000 0.994 91 I CA -0.411 60.981 61.300 0.154 0.000 1.158 91 I CB 1.692 39.760 38.000 0.113 0.000 1.315 91 I HN 0.730 nan 8.210 nan 0.000 0.451 92 A N 5.149 128.028 122.820 0.099 0.000 2.520 92 A HA 0.975 5.292 4.320 -0.005 0.000 0.298 92 A C -1.207 176.411 177.584 0.056 0.000 1.051 92 A CA -0.497 51.581 52.037 0.069 0.000 0.690 92 A CB 1.907 20.943 19.000 0.061 0.000 1.281 92 A HN 0.858 nan 8.150 nan 0.000 0.402 93 A N 0.448 123.294 122.820 0.044 0.000 2.574 93 A HA 0.853 5.170 4.320 -0.005 0.000 0.297 93 A C -0.455 177.153 177.584 0.040 0.000 1.062 93 A CA 0.091 52.145 52.037 0.028 0.000 0.686 93 A CB 1.184 20.180 19.000 -0.008 0.000 1.285 93 A HN 2.461 nan 8.150 nan 0.000 0.403 94 A N 1.490 124.341 122.820 0.052 0.000 2.280 94 A HA 0.734 5.050 4.320 -0.005 0.000 0.320 94 A C -0.177 177.446 177.584 0.064 0.000 1.366 94 A CA -0.132 51.970 52.037 0.108 0.000 0.938 94 A CB -0.185 18.899 19.000 0.140 0.000 1.157 94 A HN 1.100 nan 8.150 nan 0.000 0.536 95 T N 1.544 116.114 114.554 0.026 0.000 3.109 95 T HA 0.605 4.952 4.350 -0.005 0.000 0.311 95 T C -0.178 174.419 174.700 -0.173 0.000 1.011 95 T CA -0.034 61.995 62.100 -0.118 0.000 1.026 95 T CB 1.423 70.084 68.868 -0.345 0.000 1.047 95 T HN 1.099 nan 8.240 nan 0.000 0.448 96 A N 1.848 124.478 122.820 -0.316 0.000 2.269 96 A HA 0.900 5.216 4.320 -0.005 0.000 0.319 96 A C 1.583 179.043 177.584 -0.207 0.000 1.110 96 A CA -0.205 51.512 52.037 -0.534 0.000 0.847 96 A CB 0.351 18.610 19.000 -1.235 0.000 1.161 96 A HN 1.062 nan 8.150 nan 0.000 0.497 97 A N 0.666 123.390 122.820 -0.160 0.000 1.940 97 A HA 0.070 4.387 4.320 -0.005 0.000 0.219 97 A C 1.923 179.521 177.584 0.022 0.000 1.176 97 A CA 2.190 54.217 52.037 -0.017 0.000 0.631 97 A CB -0.990 17.989 19.000 -0.035 0.000 0.814 97 A HN 1.488 nan 8.150 nan 0.000 0.446 98 G N -1.215 107.555 108.800 -0.051 0.000 2.920 98 G HA2 0.247 4.204 3.960 -0.005 0.000 0.208 98 G HA3 0.247 4.204 3.960 -0.005 0.000 0.208 98 G C 0.544 175.462 174.900 0.029 0.000 1.159 98 G CA 0.609 45.702 45.100 -0.012 0.000 0.784 98 G HN 0.376 nan 8.290 nan 0.000 0.535 99 T N 1.532 116.124 114.554 0.064 0.000 2.916 99 T HA 0.316 4.663 4.350 -0.005 0.000 0.303 99 T C 0.290 175.131 174.700 0.234 0.000 1.025 99 T CA 0.128 62.332 62.100 0.173 0.000 1.142 99 T CB 1.241 70.242 68.868 0.222 0.000 0.947 99 T HN -0.027 nan 8.240 nan 0.000 0.544 100 L N 3.307 124.615 121.223 0.142 0.000 2.325 100 L HA 0.443 4.780 4.340 -0.005 0.000 0.279 100 L C 0.850 177.701 176.870 -0.033 0.000 1.054 100 L CA -0.874 53.979 54.840 0.021 0.000 0.804 100 L CB 0.938 43.003 42.059 0.010 0.000 1.200 100 L HN 0.517 nan 8.230 nan 0.000 0.436 101 K N 0.823 121.070 120.400 -0.256 0.000 2.155 101 K HA 0.256 4.573 4.320 -0.005 0.000 0.237 101 K C 1.090 177.609 176.600 -0.134 0.000 1.040 101 K CA -0.599 55.501 56.287 -0.312 0.000 0.912 101 K CB 0.830 32.971 32.500 -0.598 0.000 1.137 101 K HN 0.496 nan 8.250 nan 0.000 0.498 102 S N 1.613 117.252 115.700 -0.101 0.000 2.374 102 S HA -0.176 4.290 4.470 -0.005 0.000 0.227 102 S C 1.196 175.759 174.600 -0.062 0.000 1.037 102 S CA 2.087 60.256 58.200 -0.052 0.000 1.024 102 S CB -0.436 62.744 63.200 -0.033 0.000 0.861 102 S HN 0.738 nan 8.310 nan 0.000 0.456 103 D N 0.125 120.469 120.400 -0.095 0.000 2.363 103 D HA 0.199 4.836 4.640 -0.005 0.000 0.226 103 D C 1.214 177.469 176.300 -0.075 0.000 1.020 103 D CA 0.774 54.726 54.000 -0.079 0.000 0.892 103 D CB -0.768 39.978 40.800 -0.089 0.000 0.900 103 D HN 0.424 nan 8.370 nan 0.000 0.531 104 G N -0.121 108.631 108.800 -0.081 0.000 2.176 104 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.253 104 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.253 104 G C 0.374 175.229 174.900 -0.075 0.000 0.979 104 G CA 0.430 45.493 45.100 -0.061 0.000 0.641 104 G HN 0.847 nan 8.290 nan 0.000 0.530 105 S N -0.376 115.254 115.700 -0.118 0.000 2.646 105 S HA 0.707 5.174 4.470 -0.005 0.000 0.276 105 S C 0.197 174.703 174.600 -0.156 0.000 1.222 105 S CA -0.500 57.628 58.200 -0.121 0.000 1.014 105 S CB 1.873 64.994 63.200 -0.131 0.000 0.991 105 S HN 0.430 nan 8.310 nan 0.000 0.533 106 K N 0.678 121.022 120.400 -0.092 0.000 2.237 106 K HA 0.114 4.431 4.320 -0.005 0.000 0.270 106 K C 0.131 176.700 176.600 -0.053 0.000 1.015 106 K CA -0.250 56.011 56.287 -0.045 0.000 0.949 106 K CB 0.478 32.985 32.500 0.012 0.000 0.976 106 K HN 0.783 nan 8.250 nan 0.000 0.472 107 W N 1.526 122.822 121.300 -0.007 0.000 2.363 107 W HA -0.105 4.551 4.660 -0.007 0.000 0.296 107 W C 1.100 177.624 176.519 0.008 0.000 1.212 107 W CA 1.632 58.978 57.345 0.002 0.000 1.260 107 W CB -0.098 29.360 29.460 -0.003 0.000 1.131 107 W HN 0.956 nan 8.180 nan 0.000 0.530 108 G N -0.621 108.313 108.800 0.225 0.000 2.781 108 G HA2 -0.271 3.686 3.960 -0.005 0.000 0.683 108 G HA3 -0.271 3.686 3.960 -0.005 0.000 0.683 108 G C 0.374 175.349 174.900 0.126 0.000 1.390 108 G CA -0.300 44.883 45.100 0.139 0.000 0.850 108 G HN 0.026 nan 8.290 nan 0.000 0.557 109 T N 1.067 115.671 114.554 0.085 0.000 2.643 109 T HA 0.042 4.389 4.350 -0.005 0.000 0.264 109 T C 2.975 177.738 174.700 0.105 0.000 1.045 109 T CA 3.258 65.393 62.100 0.058 0.000 1.155 109 T CB -0.663 68.206 68.868 0.002 0.000 0.863 109 T HN 1.684 nan 8.240 nan 0.000 0.420 110 A N 1.407 124.303 122.820 0.126 0.000 1.883 110 A HA 0.039 4.356 4.320 -0.005 0.000 0.217 110 A C 2.608 180.245 177.584 0.087 0.000 1.186 110 A CA 1.976 53.979 52.037 -0.057 0.000 0.624 110 A CB -1.406 17.586 19.000 -0.014 0.000 0.822 110 A HN 0.538 nan 8.150 nan 0.000 0.444 111 G N -0.434 108.479 108.800 0.189 0.000 2.509 111 G HA2 -0.078 3.879 3.960 -0.005 0.000 0.218 111 G HA3 -0.078 3.879 3.960 -0.005 0.000 0.218 111 G C 1.683 176.646 174.900 0.106 0.000 1.124 111 G CA 1.450 46.724 45.100 0.289 0.000 0.776 111 G HN 0.891 nan 8.290 nan 0.000 0.547 112 S N -0.529 115.193 115.700 0.037 0.000 2.562 112 S HA 0.186 4.652 4.470 -0.005 0.000 0.221 112 S C 1.254 175.788 174.600 -0.109 0.000 0.975 112 S CA 0.441 58.573 58.200 -0.113 0.000 0.918 112 S CB -0.053 63.112 63.200 -0.057 0.000 0.772 112 S HN 0.143 nan 8.310 nan 0.000 0.531 113 S N 1.332 117.024 115.700 -0.014 0.000 2.549 113 S HA 0.188 4.655 4.470 -0.005 0.000 0.286 113 S C 1.190 175.781 174.600 -0.014 0.000 1.314 113 S CA -0.088 58.139 58.200 0.045 0.000 1.062 113 S CB 0.476 63.779 63.200 0.172 0.000 0.865 113 S HN 0.512 nan 8.310 nan 0.000 0.498 114 T N 5.255 119.815 114.554 0.009 0.000 2.737 114 T HA 0.123 4.469 4.350 -0.005 0.000 0.265 114 T C 0.552 175.258 174.700 0.009 0.000 1.038 114 T CA 1.032 63.131 62.100 -0.002 0.000 1.144 114 T CB -0.097 68.786 68.868 0.026 0.000 0.866 114 T HN 0.587 nan 8.240 nan 0.000 0.434 115 I N 1.198 121.788 120.570 0.032 0.000 2.465 115 I HA 0.299 4.465 4.170 -0.005 0.000 0.291 115 I C -0.787 175.333 176.117 0.005 0.000 1.014 115 I CA -0.563 60.742 61.300 0.008 0.000 1.093 115 I CB 2.384 40.395 38.000 0.019 0.000 1.267 115 I HN -0.058 nan 8.210 nan 0.000 0.431 116 T N 6.532 121.055 114.554 -0.053 0.000 2.786 116 T HA 0.511 4.858 4.350 -0.005 0.000 0.283 116 T C -0.218 174.338 174.700 -0.241 0.000 0.992 116 T CA -0.386 61.649 62.100 -0.109 0.000 0.954 116 T CB 1.205 70.041 68.868 -0.053 0.000 0.934 116 T HN 0.177 nan 8.240 nan 0.000 0.440 117 I N 3.601 123.981 120.570 -0.316 0.000 2.330 117 I HA 0.302 4.469 4.170 -0.005 0.000 0.286 117 I C 0.359 176.280 176.117 -0.327 0.000 1.025 117 I CA -0.492 60.590 61.300 -0.364 0.000 1.197 117 I CB 0.725 38.511 38.000 -0.357 0.000 1.358 117 I HN 0.583 nan 8.210 nan 0.000 0.467 118 S N 4.841 120.379 115.700 -0.270 0.000 2.499 118 S HA 0.728 5.195 4.470 -0.005 0.000 0.238 118 S C 0.257 174.757 174.600 -0.166 0.000 1.205 118 S CA -0.526 57.539 58.200 -0.224 0.000 1.203 118 S CB 0.872 63.952 63.200 -0.199 0.000 0.954 118 S HN 0.752 nan 8.310 nan 0.000 0.484 119 A N 1.496 124.220 122.820 -0.160 0.000 2.588 119 A HA 0.783 5.099 4.320 -0.005 0.000 0.290 119 A C -1.304 176.214 177.584 -0.110 0.000 1.136 119 A CA -1.005 50.962 52.037 -0.117 0.000 0.681 119 A CB 1.270 20.213 19.000 -0.094 0.000 1.282 119 A HN 0.269 nan 8.150 nan 0.000 0.421 120 K N 0.645 120.985 120.400 -0.099 0.000 2.156 120 K HA 0.503 4.819 4.320 -0.005 0.000 0.250 120 K C -1.159 175.380 176.600 -0.101 0.000 0.955 120 K CA -0.684 55.528 56.287 -0.125 0.000 0.855 120 K CB 0.852 33.271 32.500 -0.134 0.000 1.101 120 K HN 0.629 nan 8.250 nan 0.000 0.434 121 D N 1.045 121.359 120.400 -0.144 0.000 2.723 121 D HA -0.220 4.417 4.640 -0.005 0.000 0.236 121 D C -0.689 175.554 176.300 -0.095 0.000 1.138 121 D CA 0.925 54.879 54.000 -0.077 0.000 0.676 121 D CB -1.128 39.664 40.800 -0.013 0.000 1.069 121 D HN 0.360 nan 8.370 nan 0.000 0.430 122 F N 1.681 121.489 119.950 -0.237 0.000 2.399 122 F HA 0.373 4.893 4.527 -0.012 0.000 0.342 122 F C 0.559 176.206 175.800 -0.254 0.000 1.106 122 F CA -0.214 57.600 58.000 -0.310 0.000 1.196 122 F CB 1.033 39.880 39.000 -0.255 0.000 1.163 122 F HN -0.037 nan 8.300 nan 0.000 0.547 123 S N 4.430 119.421 115.700 -1.182 0.000 2.549 123 S HA 0.908 5.375 4.470 -0.005 0.000 0.280 123 S C -1.228 172.660 174.600 -1.185 0.000 1.109 123 S CA -0.576 57.108 58.200 -0.861 0.000 0.905 123 S CB 1.483 64.583 63.200 -0.166 0.000 1.081 123 S HN 1.167 nan 8.310 nan 0.000 0.477 124 A N 1.749 124.139 122.820 -0.717 0.000 2.393 124 A HA 0.818 5.135 4.320 -0.005 0.000 0.306 124 A C -0.788 176.684 177.584 -0.185 0.000 1.050 124 A CA -0.645 51.226 52.037 -0.276 0.000 0.724 124 A CB 1.811 20.930 19.000 0.198 0.000 1.248 124 A HN 0.898 nan 8.150 nan 0.000 0.424 125 Q N 1.178 120.904 119.800 -0.123 0.000 2.359 125 Q HA 0.553 4.890 4.340 -0.005 0.000 0.274 125 Q C -0.711 175.271 176.000 -0.029 0.000 1.074 125 Q CA -0.319 55.421 55.803 -0.105 0.000 0.810 125 Q CB 1.714 30.364 28.738 -0.146 0.000 1.342 125 Q HN 1.106 nan 8.270 nan 0.000 0.427 126 S N 1.296 116.992 115.700 -0.007 0.000 3.711 126 S HA -0.194 4.272 4.470 -0.005 0.000 0.374 126 S C -0.782 173.837 174.600 0.032 0.000 0.969 126 S CA 1.229 59.437 58.200 0.013 0.000 1.198 126 S CB -1.893 61.309 63.200 0.003 0.000 0.903 126 S HN 0.547 nan 8.310 nan 0.000 0.493 127 L N -3.510 117.747 121.223 0.056 0.000 2.568 127 L HA 0.949 5.286 4.340 -0.005 0.000 0.257 127 L C -0.300 176.624 176.870 0.090 0.000 1.024 127 L CA -0.793 54.090 54.840 0.073 0.000 0.854 127 L CB 1.391 43.496 42.059 0.076 0.000 1.460 127 L HN -0.047 nan 8.230 nan 0.000 0.409 128 T N 1.723 116.329 114.554 0.087 0.000 2.823 128 T HA 0.799 5.145 4.350 -0.005 0.000 0.279 128 T C -0.386 174.368 174.700 0.091 0.000 0.998 128 T CA -0.027 62.120 62.100 0.080 0.000 0.994 128 T CB 1.002 69.905 68.868 0.058 0.000 0.960 128 T HN 0.520 nan 8.240 nan 0.000 0.448 129 I N 3.622 124.244 120.570 0.086 0.000 2.418 129 I HA 0.486 4.652 4.170 -0.005 0.000 0.287 129 I C 0.057 176.209 176.117 0.058 0.000 1.008 129 I CA -0.836 60.515 61.300 0.084 0.000 1.104 129 I CB 1.405 39.466 38.000 0.100 0.000 1.264 129 I HN 0.343 nan 8.210 nan 0.000 0.438 130 R N 3.896 124.429 120.500 0.054 0.000 2.670 130 R HA 0.440 4.776 4.340 -0.005 0.000 0.289 130 R C -0.780 175.552 176.300 0.053 0.000 0.965 130 R CA -1.010 55.114 56.100 0.039 0.000 0.899 130 R CB 2.034 32.353 30.300 0.031 0.000 1.173 130 R HN 0.446 nan 8.270 nan 0.000 0.456 131 N N 1.604 120.341 118.700 0.061 0.000 2.437 131 N HA 0.063 4.800 4.740 -0.005 0.000 0.259 131 N C -0.728 174.862 175.510 0.133 0.000 0.983 131 N CA -0.119 52.987 53.050 0.094 0.000 0.937 131 N CB 1.301 39.854 38.487 0.110 0.000 1.122 131 N HN 0.512 nan 8.380 nan 0.000 0.499 132 D N 2.151 122.632 120.400 0.134 0.000 2.319 132 D HA -0.010 4.627 4.640 -0.005 0.000 0.230 132 D C 0.044 176.461 176.300 0.195 0.000 1.094 132 D CA -0.052 54.031 54.000 0.139 0.000 0.856 132 D CB -0.374 40.480 40.800 0.091 0.000 0.915 132 D HN 0.462 nan 8.370 nan 0.000 0.517 133 F N 2.141 122.157 119.950 0.111 0.000 2.590 133 F HA -0.031 4.492 4.527 -0.005 0.000 0.389 133 F C 0.698 176.600 175.800 0.170 0.000 1.049 133 F CA -0.441 57.631 58.000 0.120 0.000 1.199 133 F CB 0.455 39.526 39.000 0.117 0.000 1.058 133 F HN -0.246 nan 8.300 nan 0.000 0.556 134 D N 7.193 127.256 120.400 -0.562 0.000 2.508 134 D HA -0.056 4.581 4.640 -0.005 0.000 0.224 134 D C 1.032 176.806 176.300 -0.877 0.000 1.171 134 D CA 0.020 53.731 54.000 -0.482 0.000 1.006 134 D CB -0.398 40.228 40.800 -0.291 0.000 1.073 134 D HN 0.610 nan 8.370 nan 0.000 0.513 135 F N 4.527 123.882 119.950 -0.991 0.000 2.095 135 F HA -0.064 4.460 4.527 -0.004 0.000 0.298 135 F C -1.068 174.364 175.800 -0.614 0.000 1.104 135 F CA 1.034 58.540 58.000 -0.823 0.000 1.232 135 F CB -0.774 37.832 39.000 -0.656 0.000 0.987 135 F HN 0.289 nan 8.300 nan 0.000 0.475 136 P HA -0.150 nan 4.420 nan 0.000 0.217 136 P C 1.491 178.565 177.300 -0.376 0.000 1.150 136 P CA 2.321 65.161 63.100 -0.433 0.000 0.832 136 P CB -0.352 31.205 31.700 -0.239 0.000 0.787 137 A N -0.423 122.193 122.820 -0.342 0.000 1.930 137 A HA -0.237 4.079 4.320 -0.005 0.000 0.217 137 A C 2.278 179.694 177.584 -0.280 0.000 1.175 137 A CA 2.103 53.987 52.037 -0.255 0.000 0.627 137 A CB -1.818 17.060 19.000 -0.203 0.000 0.815 137 A HN 0.179 nan 8.150 nan 0.000 0.443 138 N N -0.590 117.875 118.700 -0.393 0.000 2.084 138 N HA -0.190 4.546 4.740 -0.005 0.000 0.190 138 N C 1.861 177.185 175.510 -0.309 0.000 1.030 138 N CA 1.753 54.618 53.050 -0.309 0.000 0.849 138 N CB -0.167 38.144 38.487 -0.294 0.000 1.012 138 N HN 0.366 nan 8.380 nan 0.000 0.423 139 Q N -0.210 119.296 119.800 -0.491 0.000 2.167 139 Q HA 0.023 4.360 4.340 -0.005 0.000 0.202 139 Q C 1.880 177.730 176.000 -0.250 0.000 0.970 139 Q CA 1.236 56.785 55.803 -0.423 0.000 0.855 139 Q CB -0.479 27.894 28.738 -0.609 0.000 0.911 139 Q HN 0.547 nan 8.270 nan 0.000 0.438 140 A N 0.898 123.583 122.820 -0.225 0.000 2.119 140 A HA -0.058 4.259 4.320 -0.005 0.000 0.217 140 A C 0.847 178.366 177.584 -0.109 0.000 1.153 140 A CA 0.240 52.191 52.037 -0.144 0.000 0.692 140 A CB -0.103 18.822 19.000 -0.126 0.000 0.799 140 A HN 0.135 nan 8.150 nan 0.000 0.458 141 K N 1.344 121.675 120.400 -0.115 0.000 2.414 141 K HA 0.220 4.537 4.320 -0.005 0.000 0.272 141 K C 0.080 176.642 176.600 -0.062 0.000 0.993 141 K CA -0.168 56.073 56.287 -0.078 0.000 0.964 141 K CB 0.390 32.849 32.500 -0.069 0.000 0.925 141 K HN 0.250 nan 8.250 nan 0.000 0.487 142 S N 2.106 117.780 115.700 -0.044 0.000 2.563 142 S HA -0.049 4.417 4.470 -0.005 0.000 0.284 142 S C 0.642 175.224 174.600 -0.031 0.000 1.331 142 S CA -0.498 57.681 58.200 -0.035 0.000 1.047 142 S CB 0.486 63.671 63.200 -0.025 0.000 0.859 142 S HN 0.532 nan 8.310 nan 0.000 0.514 143 D N 1.696 122.080 120.400 -0.027 0.000 2.218 143 D HA -0.077 4.560 4.640 -0.005 0.000 0.204 143 D C 1.931 178.223 176.300 -0.014 0.000 0.976 143 D CA 1.301 55.289 54.000 -0.021 0.000 0.853 143 D CB -0.262 40.527 40.800 -0.018 0.000 0.939 143 D HN 0.602 nan 8.370 nan 0.000 0.481 144 S N -0.370 115.323 115.700 -0.012 0.000 2.558 144 S HA -0.068 4.398 4.470 -0.005 0.000 0.217 144 S C 0.675 175.272 174.600 -0.006 0.000 0.975 144 S CA -0.352 57.843 58.200 -0.008 0.000 0.912 144 S CB 0.176 63.372 63.200 -0.007 0.000 0.776 144 S HN -0.055 nan 8.310 nan 0.000 0.526 145 D N 3.033 123.427 120.400 -0.009 0.000 2.358 145 D HA 0.133 4.770 4.640 -0.005 0.000 0.258 145 D C 1.320 177.620 176.300 -0.000 0.000 1.223 145 D CA 0.405 54.401 54.000 -0.007 0.000 0.886 145 D CB 1.351 42.143 40.800 -0.013 0.000 1.120 145 D HN 0.334 nan 8.370 nan 0.000 0.482 146 S N 1.839 117.541 115.700 0.004 0.000 2.442 146 S HA -0.192 4.275 4.470 -0.005 0.000 0.236 146 S C 1.697 176.307 174.600 0.017 0.000 1.007 146 S CA 1.034 59.239 58.200 0.009 0.000 0.965 146 S CB -0.280 62.926 63.200 0.009 0.000 0.773 146 S HN 0.418 nan 8.310 nan 0.000 0.504 147 S N 0.311 116.022 115.700 0.019 0.000 2.593 147 S HA 0.195 4.662 4.470 -0.005 0.000 0.217 147 S C 0.471 175.095 174.600 0.040 0.000 0.966 147 S CA -0.425 57.795 58.200 0.032 0.000 0.914 147 S CB -0.450 62.769 63.200 0.031 0.000 0.776 147 S HN 0.533 nan 8.310 nan 0.000 0.523 148 K N 1.662 122.076 120.400 0.023 0.000 2.349 148 K HA 0.316 4.633 4.320 -0.005 0.000 0.289 148 K C -0.819 175.804 176.600 0.040 0.000 1.064 148 K CA -0.349 55.950 56.287 0.020 0.000 0.947 148 K CB 0.240 32.734 32.500 -0.010 0.000 1.007 148 K HN 0.347 nan 8.250 nan 0.000 0.478 149 I N 5.328 125.946 120.570 0.079 0.000 2.365 149 I HA 0.051 4.218 4.170 -0.005 0.000 0.291 149 I C 1.086 177.240 176.117 0.062 0.000 1.004 149 I CA -0.157 61.190 61.300 0.079 0.000 1.311 149 I CB 1.463 39.530 38.000 0.111 0.000 1.401 149 I HN 0.677 nan 8.210 nan 0.000 0.491 150 K N 2.718 123.140 120.400 0.037 0.000 2.166 150 K HA 0.036 4.353 4.320 -0.005 0.000 0.201 150 K C -0.207 176.415 176.600 0.037 0.000 1.052 150 K CA 0.547 56.855 56.287 0.035 0.000 0.969 150 K CB 0.216 32.729 32.500 0.023 0.000 0.761 150 K HN 0.539 nan 8.250 nan 0.000 0.459 151 D N 1.876 122.281 120.400 0.009 0.000 2.517 151 D HA 0.005 4.642 4.640 -0.005 0.000 0.220 151 D C 0.482 176.747 176.300 -0.059 0.000 1.158 151 D CA 0.324 54.313 54.000 -0.017 0.000 0.992 151 D CB 1.047 41.833 40.800 -0.023 0.000 1.058 151 D HN 0.209 nan 8.370 nan 0.000 0.516 152 T N -1.861 112.702 114.554 0.014 0.000 3.107 152 T HA -0.073 4.274 4.350 -0.005 0.000 0.249 152 T C 0.919 175.628 174.700 0.016 0.000 1.096 152 T CA -0.520 61.636 62.100 0.092 0.000 1.012 152 T CB 0.065 69.219 68.868 0.477 0.000 0.977 152 T HN 0.190 nan 8.240 nan 0.000 0.527 153 Q N 1.774 121.523 119.800 -0.085 0.000 2.330 153 Q HA 0.485 4.822 4.340 -0.005 0.000 0.279 153 Q C -0.637 175.293 176.000 -0.116 0.000 1.024 153 Q CA -0.220 55.509 55.803 -0.124 0.000 0.900 153 Q CB 0.569 29.165 28.738 -0.236 0.000 1.221 153 Q HN 0.350 nan 8.270 nan 0.000 0.396 154 A N 3.170 125.972 122.820 -0.030 0.000 2.768 154 A HA 0.436 4.753 4.320 -0.005 0.000 0.298 154 A C -0.784 176.844 177.584 0.074 0.000 1.159 154 A CA -0.759 51.283 52.037 0.008 0.000 0.783 154 A CB 0.796 19.861 19.000 0.108 0.000 1.333 154 A HN 0.455 nan 8.150 nan 0.000 0.412 155 V N 2.149 122.108 119.914 0.074 0.000 2.555 155 V HA 0.356 4.473 4.120 -0.005 0.000 0.286 155 V C 1.511 177.671 176.094 0.110 0.000 1.044 155 V CA 0.761 63.144 62.300 0.139 0.000 1.026 155 V CB 0.952 32.891 31.823 0.192 0.000 0.981 155 V HN 1.022 nan 8.190 nan 0.000 0.480 156 A N 5.017 127.906 122.820 0.114 0.000 1.861 156 A HA 0.272 4.589 4.320 -0.005 0.000 0.212 156 A C 0.574 178.215 177.584 0.094 0.000 1.199 156 A CA 0.945 53.034 52.037 0.086 0.000 0.613 156 A CB 0.005 19.046 19.000 0.067 0.000 0.846 156 A HN 0.630 nan 8.150 nan 0.000 0.446 157 L N -1.636 119.655 121.223 0.114 0.000 2.410 157 L HA 0.634 4.971 4.340 -0.005 0.000 0.270 157 L C -1.694 175.294 176.870 0.196 0.000 0.983 157 L CA -0.807 54.098 54.840 0.108 0.000 0.822 157 L CB 2.089 44.161 42.059 0.022 0.000 1.285 157 L HN 0.276 nan 8.230 nan 0.000 0.409 158 Y N 5.236 125.538 120.300 0.003 0.000 2.329 158 Y HA 0.663 5.211 4.550 -0.003 0.000 0.328 158 Y C -1.507 174.339 175.900 -0.090 0.000 0.992 158 Y CA -1.451 56.621 58.100 -0.047 0.000 1.151 158 Y CB 1.619 40.042 38.460 -0.062 0.000 1.150 158 Y HN 0.344 nan 8.280 nan 0.000 0.450 159 V N 6.870 126.754 119.914 -0.050 0.000 2.350 159 V HA 0.354 4.471 4.120 -0.005 0.000 0.276 159 V C 0.501 176.332 176.094 -0.438 0.000 1.028 159 V CA -0.266 61.917 62.300 -0.194 0.000 0.860 159 V CB 1.040 32.892 31.823 0.049 0.000 0.990 159 V HN 0.896 nan 8.190 nan 0.000 0.453 160 T N 2.110 116.282 114.554 -0.637 0.000 2.810 160 T HA 0.305 4.651 4.350 -0.005 0.000 0.277 160 T C 1.118 175.654 174.700 -0.273 0.000 0.973 160 T CA -0.677 61.037 62.100 -0.643 0.000 0.949 160 T CB 0.835 69.311 68.868 -0.654 0.000 1.075 160 T HN 0.543 nan 8.240 nan 0.000 0.537 161 K N 0.368 120.661 120.400 -0.179 0.000 2.281 161 K HA -0.071 4.246 4.320 -0.005 0.000 0.203 161 K C 2.272 178.808 176.600 -0.108 0.000 1.046 161 K CA 1.179 57.406 56.287 -0.099 0.000 0.938 161 K CB -0.404 32.058 32.500 -0.062 0.000 0.737 161 K HN 0.484 nan 8.250 nan 0.000 0.458 162 S N 0.431 116.046 115.700 -0.141 0.000 2.501 162 S HA 0.034 4.501 4.470 -0.005 0.000 0.220 162 S C 1.002 175.518 174.600 -0.140 0.000 0.997 162 S CA 0.116 58.239 58.200 -0.129 0.000 0.919 162 S CB 0.278 63.400 63.200 -0.131 0.000 0.778 162 S HN 0.423 nan 8.310 nan 0.000 0.523 163 G N 1.339 110.042 108.800 -0.161 0.000 2.403 163 G HA2 0.455 4.412 3.960 -0.005 0.000 0.259 163 G HA3 0.455 4.412 3.960 -0.005 0.000 0.259 163 G C -1.012 173.806 174.900 -0.136 0.000 1.244 163 G CA -0.058 44.952 45.100 -0.150 0.000 0.849 163 G HN 0.165 nan 8.290 nan 0.000 0.532 164 D N 0.004 120.298 120.400 -0.177 0.000 2.736 164 D HA 0.364 5.001 4.640 -0.005 0.000 0.223 164 D C 0.249 176.289 176.300 -0.433 0.000 1.231 164 D CA -0.658 53.193 54.000 -0.249 0.000 0.818 164 D CB 1.119 41.788 40.800 -0.218 0.000 1.587 164 D HN 0.483 nan 8.370 nan 0.000 0.463 165 R N 0.507 120.542 120.500 -0.774 0.000 3.261 165 R HA -0.068 4.269 4.340 -0.005 0.000 0.257 165 R C -0.996 174.834 176.300 -0.783 0.000 1.014 165 R CA 0.852 55.962 56.100 -1.652 0.000 0.681 165 R CB -2.068 27.255 30.300 -1.628 0.000 1.155 165 R HN 0.354 nan 8.270 nan 0.000 0.424 166 A N 1.434 124.057 122.820 -0.329 0.000 2.260 166 A HA 0.508 4.825 4.320 -0.005 0.000 0.314 166 A C -0.960 176.687 177.584 0.105 0.000 1.257 166 A CA -0.426 51.594 52.037 -0.028 0.000 0.871 166 A CB 0.587 19.648 19.000 0.103 0.000 1.166 166 A HN 0.322 nan 8.150 nan 0.000 0.522 167 Y N 2.844 123.000 120.300 -0.239 0.000 2.328 167 Y HA 0.660 5.210 4.550 -0.001 0.000 0.337 167 Y C -1.764 173.749 175.900 -0.645 0.000 0.966 167 Y CA -2.026 55.975 58.100 -0.166 0.000 1.136 167 Y CB 1.016 39.553 38.460 0.129 0.000 1.170 167 Y HN 0.522 nan 8.280 nan 0.000 0.470 168 F N 5.832 125.692 119.950 -0.151 0.000 2.434 168 F HA 0.455 4.975 4.527 -0.012 0.000 0.355 168 F C -0.108 175.503 175.800 -0.315 0.000 1.115 168 F CA -0.754 57.080 58.000 -0.277 0.000 1.010 168 F CB 1.480 40.316 39.000 -0.274 0.000 1.234 168 F HN 0.279 nan 8.300 nan 0.000 0.439 169 K N 2.114 122.332 120.400 -0.302 0.000 2.292 169 K HA 0.301 4.618 4.320 -0.005 0.000 0.257 169 K C -0.559 175.994 176.600 -0.079 0.000 0.940 169 K CA -0.548 55.596 56.287 -0.237 0.000 0.811 169 K CB 1.259 33.503 32.500 -0.428 0.000 1.120 169 K HN 0.591 nan 8.250 nan 0.000 0.428 170 D N 1.717 122.114 120.400 -0.006 0.000 2.697 170 D HA -0.151 4.486 4.640 -0.005 0.000 0.238 170 D C -1.538 174.796 176.300 0.055 0.000 1.152 170 D CA 0.627 54.642 54.000 0.026 0.000 0.666 170 D CB -0.607 40.197 40.800 0.006 0.000 1.037 170 D HN 0.128 nan 8.370 nan 0.000 0.423 171 V N 0.569 120.546 119.914 0.104 0.000 2.628 171 V HA 0.656 4.773 4.120 -0.005 0.000 0.306 171 V C 0.354 176.524 176.094 0.126 0.000 1.045 171 V CA -0.411 61.973 62.300 0.140 0.000 0.905 171 V CB 2.011 33.978 31.823 0.241 0.000 0.997 171 V HN 0.266 nan 8.190 nan 0.000 0.436 172 S N 4.622 120.382 115.700 0.099 0.000 2.454 172 S HA 0.753 5.220 4.470 -0.005 0.000 0.306 172 S C -1.017 173.621 174.600 0.063 0.000 1.100 172 S CA -0.571 57.670 58.200 0.068 0.000 1.087 172 S CB 0.534 63.757 63.200 0.038 0.000 1.019 172 S HN 0.539 nan 8.310 nan 0.000 0.480 173 L N 4.832 126.082 121.223 0.045 0.000 2.333 173 L HA 0.669 5.006 4.340 -0.005 0.000 0.280 173 L C -1.019 175.837 176.870 -0.023 0.000 1.004 173 L CA -0.947 53.910 54.840 0.029 0.000 0.820 173 L CB 1.908 43.991 42.059 0.040 0.000 1.247 173 L HN 0.357 nan 8.230 nan 0.000 0.416 174 V N 2.299 122.193 119.914 -0.033 0.000 2.487 174 V HA 0.934 5.051 4.120 -0.005 0.000 0.298 174 V C 0.316 176.346 176.094 -0.106 0.000 1.028 174 V CA -0.231 62.008 62.300 -0.102 0.000 0.860 174 V CB 1.434 33.205 31.823 -0.086 0.000 0.991 174 V HN 0.983 nan 8.190 nan 0.000 0.427 175 G N 2.673 111.342 108.800 -0.217 0.000 2.490 175 G HA2 0.498 4.455 3.960 -0.005 0.000 0.308 175 G HA3 0.498 4.455 3.960 -0.005 0.000 0.308 175 G C -1.320 173.337 174.900 -0.406 0.000 1.286 175 G CA -0.187 44.806 45.100 -0.178 0.000 0.825 175 G HN 0.367 nan 8.290 nan 0.000 0.479 176 Y N -0.357 119.894 120.300 -0.080 0.000 3.026 176 Y HA 0.447 4.994 4.550 -0.005 0.000 0.160 176 Y C 1.397 177.166 175.900 -0.219 0.000 0.896 176 Y CA 0.147 58.120 58.100 -0.211 0.000 1.769 176 Y CB -0.061 38.225 38.460 -0.290 0.000 1.264 176 Y HN 0.455 nan 8.280 nan 0.000 0.400 177 Q N 1.032 120.781 119.800 -0.085 0.000 2.296 177 Q HA 0.418 4.755 4.340 -0.005 0.000 0.262 177 Q C 0.011 175.972 176.000 -0.065 0.000 0.981 177 Q CA 0.489 56.219 55.803 -0.121 0.000 0.905 177 Q CB 0.718 29.342 28.738 -0.190 0.000 1.186 177 Q HN 0.608 nan 8.270 nan 0.000 0.399 178 A N 3.201 125.965 122.820 -0.094 0.000 2.930 178 A HA -0.206 4.110 4.320 -0.005 0.000 0.273 178 A C 0.969 178.680 177.584 0.211 0.000 1.435 178 A CA 0.996 52.948 52.037 -0.143 0.000 0.780 178 A CB -2.366 16.318 19.000 -0.527 0.000 1.034 178 A HN 0.941 nan 8.150 nan 0.000 0.562 179 T N -1.206 113.479 114.554 0.218 0.000 2.635 179 T HA -0.024 4.323 4.350 -0.005 0.000 0.267 179 T C 0.868 175.701 174.700 0.222 0.000 1.040 179 T CA 1.853 64.066 62.100 0.188 0.000 1.156 179 T CB -0.104 68.849 68.868 0.141 0.000 0.863 179 T HN 1.208 nan 8.240 nan 0.000 0.430 180 L N 0.859 122.236 121.223 0.255 0.000 2.319 180 L HA 0.473 4.810 4.340 -0.005 0.000 0.281 180 L C -1.577 175.317 176.870 0.040 0.000 1.005 180 L CA -1.195 53.734 54.840 0.150 0.000 0.828 180 L CB 1.164 43.247 42.059 0.040 0.000 1.227 180 L HN 0.104 nan 8.230 nan 0.000 0.415 181 Y N 6.132 126.305 120.300 -0.212 0.000 2.491 181 Y HA 0.525 5.072 4.550 -0.004 0.000 0.334 181 Y C -0.677 175.136 175.900 -0.144 0.000 0.969 181 Y CA -1.600 56.104 58.100 -0.659 0.000 1.241 181 Y CB 1.129 39.270 38.460 -0.532 0.000 1.105 181 Y HN 0.402 nan 8.280 nan 0.000 0.503 182 V N 2.917 122.926 119.914 0.158 0.000 2.311 182 V HA 0.673 4.789 4.120 -0.005 0.000 0.275 182 V C 0.080 176.301 176.094 0.212 0.000 1.022 182 V CA -0.389 62.036 62.300 0.209 0.000 0.830 182 V CB 0.640 32.615 31.823 0.253 0.000 1.012 182 V HN 0.642 nan 8.190 nan 0.000 0.452 183 S N 3.558 119.337 115.700 0.131 0.000 2.798 183 S HA 0.964 5.431 4.470 -0.005 0.000 0.312 183 S C 0.795 175.416 174.600 0.035 0.000 1.122 183 S CA 0.680 58.940 58.200 0.100 0.000 0.949 183 S CB 1.394 64.627 63.200 0.055 0.000 1.235 183 S HN 2.379 nan 8.310 nan 0.000 0.552 184 G N 0.692 109.500 108.800 0.014 0.000 2.561 184 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.289 184 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.289 184 G C 0.625 175.530 174.900 0.007 0.000 1.169 184 G CA 0.379 45.468 45.100 -0.017 0.000 0.980 184 G HN 1.368 nan 8.290 nan 0.000 0.550 185 G N -0.051 108.739 108.800 -0.017 0.000 3.137 185 G HA2 0.554 4.511 3.960 -0.005 0.000 0.163 185 G HA3 0.554 4.511 3.960 -0.005 0.000 0.163 185 G C 0.099 175.017 174.900 0.029 0.000 1.602 185 G CA 0.191 45.284 45.100 -0.012 0.000 1.067 185 G HN 0.854 nan 8.290 nan 0.000 0.568 186 R N -0.094 120.400 120.500 -0.009 0.000 2.312 186 R HA 0.548 4.884 4.340 -0.005 0.000 0.311 186 R C -0.432 175.926 176.300 0.096 0.000 1.004 186 R CA -0.167 55.985 56.100 0.086 0.000 0.902 186 R CB 1.663 32.055 30.300 0.152 0.000 1.073 186 R HN 0.575 nan 8.270 nan 0.000 0.457 187 S N 1.723 117.584 115.700 0.267 0.000 2.536 187 S HA 0.664 5.131 4.470 -0.005 0.000 0.287 187 S C -1.232 173.602 174.600 0.390 0.000 1.101 187 S CA -0.874 57.517 58.200 0.319 0.000 0.950 187 S CB 1.399 64.787 63.200 0.313 0.000 1.056 187 S HN 0.459 nan 8.310 nan 0.000 0.481 188 F N 2.473 122.503 119.950 0.135 0.000 2.507 188 F HA 0.748 5.272 4.527 -0.005 0.000 0.328 188 F C -2.135 173.628 175.800 -0.061 0.000 1.136 188 F CA -1.808 56.209 58.000 0.028 0.000 0.930 188 F CB 1.060 39.990 39.000 -0.116 0.000 1.166 188 F HN 0.627 nan 8.300 nan 0.000 0.436 189 F N 3.943 123.649 119.950 -0.406 0.000 2.449 189 F HA 0.544 5.066 4.527 -0.009 0.000 0.342 189 F C 0.061 175.546 175.800 -0.525 0.000 1.127 189 F CA -0.729 57.095 58.000 -0.292 0.000 0.975 189 F CB 1.980 40.879 39.000 -0.168 0.000 1.146 189 F HN 0.406 nan 8.300 nan 0.000 0.444 190 S N 2.399 117.942 115.700 -0.263 0.000 2.557 190 S HA 0.458 4.925 4.470 -0.005 0.000 0.291 190 S C -0.930 173.667 174.600 -0.006 0.000 1.116 190 S CA -0.697 57.364 58.200 -0.231 0.000 0.992 190 S CB 0.609 63.625 63.200 -0.307 0.000 1.028 190 S HN 0.688 nan 8.310 nan 0.000 0.484 191 D N 1.441 121.872 120.400 0.051 0.000 2.723 191 D HA -0.138 4.499 4.640 -0.005 0.000 0.236 191 D C 0.267 176.617 176.300 0.083 0.000 1.138 191 D CA 1.253 55.294 54.000 0.069 0.000 0.676 191 D CB -2.368 38.464 40.800 0.052 0.000 1.069 191 D HN 0.733 nan 8.370 nan 0.000 0.430 192 c N -1.119 117.553 118.600 0.120 0.000 2.401 192 c HA 0.822 5.389 4.570 -0.005 0.000 0.356 192 c C 0.376 174.534 174.090 0.113 0.000 1.192 192 c CA -1.074 55.344 56.329 0.147 0.000 2.028 192 c CB 2.392 45.053 42.510 0.252 0.000 2.344 192 c HN 0.393 nan 8.230 nan 0.000 0.525 193 R N 1.704 122.260 120.500 0.093 0.000 2.513 193 R HA 0.770 5.107 4.340 -0.005 0.000 0.301 193 R C -1.595 174.731 176.300 0.043 0.000 0.968 193 R CA -0.532 55.598 56.100 0.050 0.000 0.872 193 R CB 0.963 31.274 30.300 0.019 0.000 1.177 193 R HN 0.917 nan 8.270 nan 0.000 0.444 194 I N 3.318 123.908 120.570 0.034 0.000 2.466 194 I HA 0.264 4.430 4.170 -0.005 0.000 0.289 194 I C -0.314 175.771 176.117 -0.052 0.000 1.026 194 I CA -0.712 60.609 61.300 0.036 0.000 1.078 194 I CB 2.178 40.234 38.000 0.093 0.000 1.249 194 I HN 0.630 nan 8.210 nan 0.000 0.429 195 S N 4.046 119.606 115.700 -0.233 0.000 2.536 195 S HA 1.013 5.480 4.470 -0.005 0.000 0.298 195 S C -0.379 173.685 174.600 -0.895 0.000 1.083 195 S CA -0.517 57.351 58.200 -0.554 0.000 0.995 195 S CB 2.526 65.490 63.200 -0.394 0.000 1.058 195 S HN 1.042 nan 8.310 nan 0.000 0.488 196 G N 0.338 108.298 108.800 -1.400 0.000 2.340 196 G HA2 0.497 4.454 3.960 -0.005 0.000 0.299 196 G HA3 0.497 4.454 3.960 -0.005 0.000 0.299 196 G C -0.103 174.382 174.900 -0.693 0.000 1.291 196 G CA 0.117 44.560 45.100 -1.096 0.000 0.841 196 G HN 1.279 nan 8.290 nan 0.000 0.500 197 T N -3.653 110.841 114.554 -0.101 0.000 3.447 197 T HA 0.454 4.801 4.350 -0.005 0.000 0.218 197 T C 0.286 175.180 174.700 0.323 0.000 0.972 197 T CA 0.661 62.874 62.100 0.188 0.000 1.264 197 T CB 0.012 68.863 68.868 -0.029 0.000 1.284 197 T HN 0.907 nan 8.240 nan 0.000 0.361 198 V N 3.344 123.326 119.914 0.113 0.000 2.370 198 V HA 0.381 4.498 4.120 -0.005 0.000 0.279 198 V C -0.726 175.433 176.094 0.109 0.000 1.029 198 V CA -0.382 61.992 62.300 0.124 0.000 0.870 198 V CB 0.795 32.629 31.823 0.019 0.000 0.984 198 V HN 0.730 nan 8.190 nan 0.000 0.451 199 D N 3.519 124.012 120.400 0.156 0.000 2.708 199 D HA -0.269 4.368 4.640 -0.005 0.000 0.236 199 D C 0.677 176.975 176.300 -0.003 0.000 1.146 199 D CA 1.337 55.316 54.000 -0.036 0.000 0.662 199 D CB -0.955 39.652 40.800 -0.321 0.000 1.059 199 D HN 0.744 nan 8.370 nan 0.000 0.428 200 F N -1.190 118.775 119.950 0.025 0.000 2.748 200 F HA 0.218 4.743 4.527 -0.004 0.000 0.299 200 F C 0.671 176.522 175.800 0.086 0.000 1.154 200 F CA -0.185 57.835 58.000 0.034 0.000 1.446 200 F CB 0.080 39.073 39.000 -0.012 0.000 1.112 200 F HN 0.005 nan 8.300 nan 0.000 0.584 201 I N 2.295 122.784 120.570 -0.135 0.000 2.439 201 I HA 0.365 4.532 4.170 -0.005 0.000 0.285 201 I C -1.086 175.107 176.117 0.127 0.000 1.021 201 I CA -0.970 60.306 61.300 -0.041 0.000 1.091 201 I CB 1.438 39.256 38.000 -0.304 0.000 1.242 201 I HN 0.081 nan 8.210 nan 0.000 0.439 202 F N 4.055 123.990 119.950 -0.024 0.000 2.626 202 F HA 1.001 5.529 4.527 0.002 0.000 0.311 202 F C -0.049 175.871 175.800 0.200 0.000 1.088 202 F CA -0.863 57.138 58.000 0.003 0.000 0.949 202 F CB 1.575 40.417 39.000 -0.263 0.000 1.322 202 F HN 0.695 nan 8.300 nan 0.000 0.461 203 G N 1.646 110.673 108.800 0.377 0.000 2.343 203 G HA2 0.137 4.094 3.960 -0.005 0.000 0.562 203 G HA3 0.137 4.094 3.960 -0.005 0.000 0.562 203 G C -1.082 174.006 174.900 0.314 0.000 1.269 203 G CA -0.165 45.197 45.100 0.435 0.000 1.011 203 G HN 1.265 nan 8.290 nan 0.000 0.498 204 D N -0.116 120.432 120.400 0.246 0.000 2.395 204 D HA 0.304 4.940 4.640 -0.005 0.000 0.213 204 D C 1.155 177.538 176.300 0.138 0.000 1.110 204 D CA 0.723 54.809 54.000 0.143 0.000 0.835 204 D CB 0.244 41.084 40.800 0.068 0.000 0.965 204 D HN 0.883 nan 8.370 nan 0.000 0.505 205 G N 0.188 109.088 108.800 0.168 0.000 2.616 205 G HA2 0.319 4.275 3.960 -0.005 0.000 0.268 205 G HA3 0.319 4.275 3.960 -0.005 0.000 0.268 205 G C -0.233 174.778 174.900 0.185 0.000 1.213 205 G CA -0.289 44.904 45.100 0.156 0.000 0.926 205 G HN 0.044 nan 8.290 nan 0.000 0.523 206 T N 0.778 115.441 114.554 0.181 0.000 2.747 206 T HA 0.535 4.881 4.350 -0.005 0.000 0.301 206 T C 0.170 175.009 174.700 0.232 0.000 0.952 206 T CA 0.132 62.362 62.100 0.217 0.000 0.983 206 T CB 0.881 69.871 68.868 0.204 0.000 0.930 206 T HN 0.807 nan 8.240 nan 0.000 0.494 207 A N 4.131 127.106 122.820 0.259 0.000 2.340 207 A HA 0.683 5.000 4.320 -0.005 0.000 0.297 207 A C -0.762 176.915 177.584 0.156 0.000 1.195 207 A CA -0.722 51.450 52.037 0.226 0.000 0.769 207 A CB 0.642 19.814 19.000 0.288 0.000 1.163 207 A HN 0.694 nan 8.150 nan 0.000 0.472 208 L N 2.879 124.176 121.223 0.124 0.000 2.295 208 L HA 0.832 5.169 4.340 -0.005 0.000 0.285 208 L C -1.548 175.375 176.870 0.088 0.000 1.035 208 L CA -0.335 54.638 54.840 0.221 0.000 0.806 208 L CB 0.455 42.692 42.059 0.296 0.000 1.214 208 L HN 0.505 nan 8.230 nan 0.000 0.426 209 F N 4.580 124.720 119.950 0.317 0.000 2.467 209 F HA 0.488 5.016 4.527 0.001 0.000 0.336 209 F C 0.226 176.152 175.800 0.210 0.000 1.123 209 F CA -0.559 57.580 58.000 0.231 0.000 0.964 209 F CB 1.403 40.465 39.000 0.104 0.000 1.136 209 F HN 0.514 nan 8.300 nan 0.000 0.447 210 N N 2.509 121.386 118.700 0.295 0.000 2.295 210 N HA 0.191 4.928 4.740 -0.005 0.000 0.293 210 N C -0.585 175.037 175.510 0.186 0.000 1.040 210 N CA -0.345 52.865 53.050 0.266 0.000 0.840 210 N CB 1.243 39.940 38.487 0.350 0.000 1.468 210 N HN 0.747 nan 8.380 nan 0.000 0.478 211 N N 1.761 120.570 118.700 0.182 0.000 2.738 211 N HA -0.173 4.563 4.740 -0.005 0.000 0.249 211 N C -1.609 173.980 175.510 0.132 0.000 1.047 211 N CA 0.494 53.630 53.050 0.144 0.000 0.707 211 N CB -1.608 36.953 38.487 0.124 0.000 0.937 211 N HN 0.436 nan 8.380 nan 0.000 0.545 212 c N 0.262 118.953 118.600 0.152 0.000 2.397 212 c HA 0.493 5.060 4.570 -0.005 0.000 0.343 212 c C 0.043 174.189 174.090 0.094 0.000 1.188 212 c CA -0.901 55.513 56.329 0.141 0.000 1.992 212 c CB 1.336 43.969 42.510 0.205 0.000 2.358 212 c HN 0.393 nan 8.230 nan 0.000 0.518 213 D N 2.426 122.868 120.400 0.069 0.000 2.329 213 D HA 0.424 5.061 4.640 -0.005 0.000 0.232 213 D C -0.608 175.713 176.300 0.034 0.000 1.088 213 D CA 0.162 54.184 54.000 0.036 0.000 0.835 213 D CB 0.897 41.706 40.800 0.015 0.000 1.078 213 D HN 0.359 nan 8.370 nan 0.000 0.495 214 L N 2.517 123.763 121.223 0.039 0.000 2.262 214 L HA 0.389 4.726 4.340 -0.005 0.000 0.288 214 L C -0.342 176.569 176.870 0.069 0.000 1.035 214 L CA -0.931 53.969 54.840 0.100 0.000 0.820 214 L CB 1.321 43.435 42.059 0.092 0.000 1.204 214 L HN -0.035 nan 8.230 nan 0.000 0.424 215 V N 2.191 122.083 119.914 -0.036 0.000 2.328 215 V HA 0.233 4.349 4.120 -0.005 0.000 0.278 215 V C 0.405 176.263 176.094 -0.393 0.000 1.021 215 V CA -0.315 61.864 62.300 -0.201 0.000 0.838 215 V CB 1.348 33.044 31.823 -0.213 0.000 0.999 215 V HN 0.733 nan 8.190 nan 0.000 0.447 216 S N 5.943 121.400 115.700 -0.406 0.000 2.489 216 S HA 0.476 4.942 4.470 -0.005 0.000 0.277 216 S C 0.228 174.535 174.600 -0.488 0.000 1.230 216 S CA -0.588 57.205 58.200 -0.679 0.000 1.053 216 S CB 0.459 62.936 63.200 -1.206 0.000 0.955 216 S HN 0.645 nan 8.310 nan 0.000 0.488 217 R N 1.392 121.733 120.500 -0.265 0.000 2.536 217 R HA 0.290 4.627 4.340 -0.005 0.000 0.279 217 R C -0.617 175.785 176.300 0.169 0.000 1.001 217 R CA -0.762 55.309 56.100 -0.049 0.000 1.027 217 R CB 0.754 31.013 30.300 -0.068 0.000 1.096 217 R HN 0.630 nan 8.270 nan 0.000 0.502 218 Y N 1.710 122.050 120.300 0.065 0.000 2.526 218 Y HA 0.045 4.592 4.550 -0.006 0.000 0.330 218 Y C -0.247 175.736 175.900 0.139 0.000 1.156 218 Y CA 0.216 58.374 58.100 0.097 0.000 1.419 218 Y CB 0.577 39.067 38.460 0.050 0.000 1.250 218 Y HN 0.327 nan 8.280 nan 0.000 0.540 219 R N 5.244 125.400 120.500 -0.574 0.000 2.275 219 R HA 0.465 4.801 4.340 -0.005 0.000 0.326 219 R C 0.520 176.334 176.300 -0.810 0.000 0.973 219 R CA 0.027 55.846 56.100 -0.470 0.000 0.854 219 R CB 1.253 31.457 30.300 -0.160 0.000 1.156 219 R HN 0.916 nan 8.270 nan 0.000 0.487 220 A N 2.629 125.077 122.820 -0.620 0.000 2.067 220 A HA -0.155 4.162 4.320 -0.005 0.000 0.219 220 A C 1.341 178.821 177.584 -0.173 0.000 1.158 220 A CA 1.416 53.260 52.037 -0.323 0.000 0.661 220 A CB -0.050 18.936 19.000 -0.024 0.000 0.801 220 A HN 0.789 nan 8.150 nan 0.000 0.452 221 D N -0.740 119.564 120.400 -0.159 0.000 2.340 221 D HA 0.066 4.703 4.640 -0.005 0.000 0.220 221 D C 0.100 176.352 176.300 -0.079 0.000 1.039 221 D CA 0.138 54.074 54.000 -0.107 0.000 0.866 221 D CB -0.226 40.500 40.800 -0.123 0.000 0.913 221 D HN 0.146 nan 8.370 nan 0.000 0.523 222 V N 1.354 121.208 119.914 -0.101 0.000 2.407 222 V HA 0.132 4.249 4.120 -0.005 0.000 0.278 222 V C 0.604 176.662 176.094 -0.060 0.000 1.037 222 V CA -0.914 61.340 62.300 -0.076 0.000 0.900 222 V CB 1.511 33.275 31.823 -0.098 0.000 0.983 222 V HN -0.056 nan 8.190 nan 0.000 0.459 223 K N 2.413 122.789 120.400 -0.040 0.000 2.382 223 K HA 0.157 4.474 4.320 -0.005 0.000 0.275 223 K C 0.619 177.206 176.600 -0.023 0.000 1.009 223 K CA 0.024 56.296 56.287 -0.025 0.000 0.970 223 K CB 0.549 33.036 32.500 -0.021 0.000 0.934 223 K HN 0.684 nan 8.250 nan 0.000 0.479 224 S N 1.045 116.739 115.700 -0.009 0.000 2.593 224 S HA 0.096 4.563 4.470 -0.005 0.000 0.300 224 S C 1.217 175.807 174.600 -0.016 0.000 1.267 224 S CA 1.237 59.435 58.200 -0.004 0.000 1.065 224 S CB -0.331 62.872 63.200 0.006 0.000 0.807 224 S HN 0.843 nan 8.310 nan 0.000 0.499 225 G N 4.497 113.283 108.800 -0.023 0.000 2.234 225 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.235 225 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.235 225 G C 0.051 174.916 174.900 -0.059 0.000 0.997 225 G CA -0.001 45.075 45.100 -0.039 0.000 0.623 225 G HN 0.676 nan 8.290 nan 0.000 0.514 226 N N 0.016 118.683 118.700 -0.055 0.000 2.489 226 N HA 0.565 5.302 4.740 -0.005 0.000 0.284 226 N C 0.330 175.783 175.510 -0.095 0.000 1.158 226 N CA -0.342 52.668 53.050 -0.067 0.000 0.965 226 N CB 1.784 40.244 38.487 -0.046 0.000 1.195 226 N HN 0.109 nan 8.380 nan 0.000 0.506 227 V N 1.281 121.126 119.914 -0.114 0.000 2.637 227 V HA 0.033 4.150 4.120 -0.005 0.000 0.296 227 V C 1.308 177.249 176.094 -0.255 0.000 1.046 227 V CA 0.326 62.522 62.300 -0.174 0.000 1.066 227 V CB 1.176 32.910 31.823 -0.148 0.000 0.968 227 V HN 0.714 nan 8.190 nan 0.000 0.483 228 S N 2.427 117.889 115.700 -0.397 0.000 2.404 228 S HA 0.333 4.800 4.470 -0.005 0.000 0.223 228 S C 0.671 174.817 174.600 -0.758 0.000 1.040 228 S CA 0.836 58.739 58.200 -0.496 0.000 0.957 228 S CB 0.354 63.300 63.200 -0.423 0.000 0.826 228 S HN 1.102 nan 8.310 nan 0.000 0.491 229 G N -0.772 107.258 108.800 -1.282 0.000 2.427 229 G HA2 0.558 4.515 3.960 -0.005 0.000 0.306 229 G HA3 0.558 4.515 3.960 -0.005 0.000 0.306 229 G C -2.355 171.850 174.900 -1.158 0.000 1.280 229 G CA -0.786 43.639 45.100 -1.125 0.000 0.837 229 G HN 0.178 nan 8.290 nan 0.000 0.482 230 Y N -0.640 119.701 120.300 0.068 0.000 2.433 230 Y HA 0.477 5.024 4.550 -0.005 0.000 0.337 230 Y C 0.770 176.688 175.900 0.030 0.000 1.026 230 Y CA -0.874 57.261 58.100 0.059 0.000 1.037 230 Y CB 1.981 40.442 38.460 0.002 0.000 1.245 230 Y HN 0.356 nan 8.280 nan 0.000 0.443 231 L N 1.324 122.552 121.223 0.008 0.000 2.017 231 L HA -0.054 4.283 4.340 -0.005 0.000 0.208 231 L C 1.192 177.746 176.870 -0.526 0.000 1.073 231 L CA 1.826 56.368 54.840 -0.496 0.000 0.745 231 L CB -0.465 41.408 42.059 -0.309 0.000 0.894 231 L HN 0.826 nan 8.230 nan 0.000 0.432 232 T N -3.341 111.108 114.554 -0.175 0.000 2.893 232 T HA 0.782 5.129 4.350 -0.005 0.000 0.291 232 T C -0.508 174.211 174.700 0.033 0.000 1.028 232 T CA -0.343 61.703 62.100 -0.090 0.000 0.995 232 T CB 2.243 71.080 68.868 -0.052 0.000 1.051 232 T HN 0.102 nan 8.240 nan 0.000 0.470 233 A N 3.481 126.363 122.820 0.103 0.000 3.082 233 A HA 0.635 4.952 4.320 -0.005 0.000 0.328 233 A C -2.901 174.892 177.584 0.348 0.000 1.089 233 A CA -1.499 50.648 52.037 0.184 0.000 0.802 233 A CB 0.483 19.496 19.000 0.022 0.000 1.138 233 A HN 0.687 nan 8.150 nan 0.000 0.474 234 P HA 0.208 nan 4.420 nan 0.000 0.275 234 P C 0.370 177.835 177.300 0.276 0.000 1.228 234 P CA 0.013 63.303 63.100 0.316 0.000 0.786 234 P CB 1.544 33.419 31.700 0.291 0.000 0.927 235 S N -0.882 114.939 115.700 0.201 0.000 2.855 235 S HA 0.112 4.579 4.470 -0.005 0.000 0.249 235 S C 0.170 174.721 174.600 -0.081 0.000 1.033 235 S CA -0.409 57.763 58.200 -0.047 0.000 1.038 235 S CB -1.140 61.933 63.200 -0.212 0.000 0.960 235 S HN 0.373 nan 8.310 nan 0.000 0.548 236 T N 3.900 118.458 114.554 0.007 0.000 2.849 236 T HA -0.027 4.319 4.350 -0.005 0.000 0.289 236 T C 0.261 174.928 174.700 -0.054 0.000 1.010 236 T CA 0.115 62.221 62.100 0.011 0.000 1.161 236 T CB -0.146 68.760 68.868 0.063 0.000 0.989 236 T HN 0.551 nan 8.240 nan 0.000 0.523 237 N N 1.915 120.590 118.700 -0.042 0.000 2.458 237 N HA -0.045 4.691 4.740 -0.005 0.000 0.258 237 N C 1.249 176.734 175.510 -0.040 0.000 1.219 237 N CA -0.469 52.550 53.050 -0.052 0.000 0.902 237 N CB 0.412 38.881 38.487 -0.030 0.000 1.076 237 N HN 0.559 nan 8.380 nan 0.000 0.455 238 I N 3.908 124.450 120.570 -0.047 0.000 2.399 238 I HA -0.252 3.915 4.170 -0.005 0.000 0.254 238 I C 1.462 177.560 176.117 -0.031 0.000 1.146 238 I CA 1.374 62.652 61.300 -0.037 0.000 1.412 238 I CB -0.265 37.718 38.000 -0.029 0.000 1.076 238 I HN 0.578 nan 8.210 nan 0.000 0.432 239 N N 0.269 118.953 118.700 -0.026 0.000 2.463 239 N HA -0.074 4.663 4.740 -0.005 0.000 0.181 239 N C 0.671 176.162 175.510 -0.032 0.000 1.078 239 N CA 0.166 53.199 53.050 -0.028 0.000 0.902 239 N CB -0.069 38.407 38.487 -0.019 0.000 0.970 239 N HN 0.566 nan 8.380 nan 0.000 0.451 240 Q N 1.335 121.120 119.800 -0.025 0.000 2.288 240 Q HA 0.058 4.394 4.340 -0.005 0.000 0.258 240 Q C 0.955 176.923 176.000 -0.055 0.000 0.957 240 Q CA -0.307 55.486 55.803 -0.016 0.000 0.919 240 Q CB 1.295 30.044 28.738 0.018 0.000 1.185 240 Q HN -0.191 nan 8.270 nan 0.000 0.408 241 K N 3.472 123.802 120.400 -0.117 0.000 2.057 241 K HA -0.080 4.236 4.320 -0.005 0.000 0.206 241 K C -0.742 175.565 176.600 -0.488 0.000 1.050 241 K CA 1.629 57.701 56.287 -0.358 0.000 0.935 241 K CB 0.210 32.423 32.500 -0.479 0.000 0.715 241 K HN 0.579 nan 8.250 nan 0.000 0.439 242 Y N -1.282 119.058 120.300 0.066 0.000 2.425 242 Y HA 0.518 5.051 4.550 -0.029 0.000 0.344 242 Y C 0.867 176.852 175.900 0.143 0.000 0.969 242 Y CA -0.650 57.526 58.100 0.126 0.000 1.052 242 Y CB 2.295 40.825 38.460 0.117 0.000 1.215 242 Y HN 0.027 nan 8.280 nan 0.000 0.451 243 G N 1.890 110.891 108.800 0.335 0.000 3.157 243 G HA2 0.381 4.338 3.960 -0.005 0.000 0.206 243 G HA3 0.381 4.338 3.960 -0.005 0.000 0.206 243 G C -0.736 174.342 174.900 0.296 0.000 1.903 243 G CA -0.727 44.534 45.100 0.268 0.000 0.771 243 G HN 0.435 nan 8.290 nan 0.000 0.750 244 L N 1.660 123.045 121.223 0.270 0.000 2.261 244 L HA 0.509 4.846 4.340 -0.005 0.000 0.289 244 L C -0.916 176.082 176.870 0.215 0.000 1.059 244 L CA -0.572 54.431 54.840 0.272 0.000 0.816 244 L CB 1.558 43.726 42.059 0.181 0.000 1.191 244 L HN -0.048 nan 8.230 nan 0.000 0.431 245 V N 5.241 125.328 119.914 0.288 0.000 2.378 245 V HA 0.431 4.548 4.120 -0.005 0.000 0.288 245 V C -0.123 176.122 176.094 0.252 0.000 1.016 245 V CA -0.343 62.089 62.300 0.220 0.000 0.840 245 V CB 1.911 33.904 31.823 0.283 0.000 0.994 245 V HN 0.479 nan 8.190 nan 0.000 0.431 246 I N 4.846 125.445 120.570 0.048 0.000 2.355 246 I HA 0.585 4.752 4.170 -0.005 0.000 0.288 246 I C 0.350 176.570 176.117 0.171 0.000 0.999 246 I CA 0.105 61.458 61.300 0.088 0.000 1.163 246 I CB 2.155 40.015 38.000 -0.234 0.000 1.316 246 I HN 0.773 nan 8.210 nan 0.000 0.454 247 T N 0.856 115.555 114.554 0.243 0.000 2.876 247 T HA 0.462 4.809 4.350 -0.005 0.000 0.289 247 T C 0.045 174.885 174.700 0.233 0.000 1.014 247 T CA -0.907 61.336 62.100 0.237 0.000 0.986 247 T CB 1.036 70.040 68.868 0.226 0.000 1.021 247 T HN 0.646 nan 8.240 nan 0.000 0.458 248 N N 0.643 119.480 118.700 0.228 0.000 2.716 248 N HA -0.167 4.570 4.740 -0.005 0.000 0.250 248 N C -0.213 175.413 175.510 0.193 0.000 1.033 248 N CA 0.847 54.025 53.050 0.213 0.000 0.727 248 N CB -1.085 37.513 38.487 0.185 0.000 0.950 248 N HN 0.617 nan 8.380 nan 0.000 0.541 249 S N -0.448 115.363 115.700 0.185 0.000 2.786 249 S HA 0.678 5.145 4.470 -0.005 0.000 0.307 249 S C 0.166 174.812 174.600 0.075 0.000 1.121 249 S CA -0.842 57.444 58.200 0.142 0.000 0.975 249 S CB 1.732 65.027 63.200 0.157 0.000 1.220 249 S HN 0.209 nan 8.310 nan 0.000 0.550 250 R N 0.523 121.048 120.500 0.042 0.000 2.532 250 R HA 0.557 4.894 4.340 -0.005 0.000 0.297 250 R C -1.770 174.515 176.300 -0.025 0.000 0.984 250 R CA -0.456 55.630 56.100 -0.025 0.000 0.884 250 R CB 1.746 32.038 30.300 -0.013 0.000 1.182 250 R HN 0.284 nan 8.270 nan 0.000 0.442 251 V N 5.911 125.782 119.914 -0.071 0.000 2.318 251 V HA 0.409 4.526 4.120 -0.005 0.000 0.271 251 V C 0.085 176.194 176.094 0.025 0.000 1.030 251 V CA -0.410 61.862 62.300 -0.048 0.000 0.844 251 V CB 0.537 32.250 31.823 -0.182 0.000 1.015 251 V HN 0.619 nan 8.190 nan 0.000 0.460 252 I N 2.869 123.440 120.570 0.001 0.000 2.892 252 I HA 0.794 4.961 4.170 -0.005 0.000 0.306 252 I C -0.148 175.738 176.117 -0.385 0.000 1.078 252 I CA -1.390 59.846 61.300 -0.106 0.000 1.032 252 I CB 2.273 40.211 38.000 -0.104 0.000 1.229 252 I HN 0.547 nan 8.210 nan 0.000 0.435 253 R N 2.077 122.244 120.500 -0.554 0.000 2.410 253 R HA 0.294 4.631 4.340 -0.005 0.000 0.288 253 R C 0.533 176.645 176.300 -0.315 0.000 1.051 253 R CA -0.611 55.119 56.100 -0.617 0.000 1.021 253 R CB 1.474 31.434 30.300 -0.566 0.000 1.032 253 R HN 0.854 nan 8.270 nan 0.000 0.481 254 E N 1.395 121.436 120.200 -0.264 0.000 2.110 254 E HA -0.144 4.203 4.350 -0.005 0.000 0.193 254 E C -0.262 176.264 176.600 -0.123 0.000 0.988 254 E CA 1.292 57.592 56.400 -0.167 0.000 0.804 254 E CB 0.296 29.921 29.700 -0.125 0.000 0.745 254 E HN 0.729 nan 8.360 nan 0.000 0.458 255 S N -1.496 114.133 115.700 -0.119 0.000 2.615 255 S HA 0.164 4.631 4.470 -0.005 0.000 0.269 255 S C -0.277 174.263 174.600 -0.100 0.000 1.161 255 S CA -0.720 57.416 58.200 -0.107 0.000 0.817 255 S CB 1.131 64.259 63.200 -0.120 0.000 1.131 255 S HN -0.022 nan 8.310 nan 0.000 0.467 256 D N 1.266 121.610 120.400 -0.093 0.000 2.350 256 D HA 0.072 4.709 4.640 -0.005 0.000 0.216 256 D C 1.284 177.548 176.300 -0.060 0.000 0.968 256 D CA 0.874 54.832 54.000 -0.070 0.000 0.894 256 D CB -0.166 40.597 40.800 -0.062 0.000 0.909 256 D HN 0.469 nan 8.370 nan 0.000 0.520 257 S N -0.263 115.375 115.700 -0.103 0.000 2.527 257 S HA 0.022 4.488 4.470 -0.005 0.000 0.222 257 S C 0.972 175.648 174.600 0.126 0.000 0.985 257 S CA -0.124 58.013 58.200 -0.104 0.000 0.921 257 S CB 0.628 63.542 63.200 -0.477 0.000 0.772 257 S HN 0.020 nan 8.310 nan 0.000 0.529 258 V N 4.792 124.786 119.914 0.133 0.000 2.421 258 V HA 0.140 4.257 4.120 -0.005 0.000 0.271 258 V C -2.207 173.979 176.094 0.152 0.000 1.031 258 V CA -1.617 60.804 62.300 0.202 0.000 1.032 258 V CB -0.084 31.786 31.823 0.078 0.000 1.009 258 V HN 0.156 nan 8.190 nan 0.000 0.477 259 P HA 0.207 nan 4.420 nan 0.000 0.270 259 P C -0.154 177.234 177.300 0.146 0.000 1.223 259 P CA -0.147 63.031 63.100 0.130 0.000 0.785 259 P CB 0.518 32.284 31.700 0.109 0.000 0.923 260 A N 2.305 125.189 122.820 0.106 0.000 2.498 260 A HA 0.083 4.399 4.320 -0.005 0.000 0.239 260 A C 0.437 178.090 177.584 0.116 0.000 1.068 260 A CA 0.019 52.119 52.037 0.105 0.000 0.766 260 A CB -0.764 18.273 19.000 0.062 0.000 1.003 260 A HN 0.663 nan 8.150 nan 0.000 0.497 261 K N 0.367 120.849 120.400 0.137 0.000 3.096 261 K HA -0.185 4.132 4.320 -0.005 0.000 0.266 261 K C 0.838 177.593 176.600 0.258 0.000 1.043 261 K CA 0.876 57.280 56.287 0.197 0.000 0.758 261 K CB -1.968 30.598 32.500 0.111 0.000 1.260 261 K HN 0.977 nan 8.250 nan 0.000 0.481 262 S N -1.628 114.239 115.700 0.277 0.000 2.512 262 S HA 0.096 4.563 4.470 -0.005 0.000 0.216 262 S C 0.174 174.840 174.600 0.109 0.000 1.006 262 S CA -0.213 58.098 58.200 0.186 0.000 0.915 262 S CB 0.180 63.484 63.200 0.175 0.000 0.824 262 S HN 0.322 nan 8.310 nan 0.000 0.497 263 Y N 1.412 121.768 120.300 0.093 0.000 2.409 263 Y HA 0.679 5.225 4.550 -0.006 0.000 0.343 263 Y C 0.676 176.126 175.900 -0.750 0.000 0.973 263 Y CA -0.754 57.236 58.100 -0.184 0.000 1.064 263 Y CB 1.756 40.151 38.460 -0.110 0.000 1.207 263 Y HN 0.220 nan 8.280 nan 0.000 0.452 264 G N 2.767 111.215 108.800 -0.587 0.000 2.400 264 G HA2 0.377 4.334 3.960 -0.005 0.000 0.301 264 G HA3 0.377 4.334 3.960 -0.005 0.000 0.301 264 G C 0.479 175.130 174.900 -0.415 0.000 1.154 264 G CA -0.561 44.108 45.100 -0.718 0.000 0.852 264 G HN 0.840 nan 8.290 nan 0.000 0.511 265 L N 0.972 121.792 121.223 -0.672 0.000 2.217 265 L HA 0.220 4.556 4.340 -0.005 0.000 0.211 265 L C 1.468 178.171 176.870 -0.278 0.000 1.107 265 L CA 1.162 55.580 54.840 -0.703 0.000 0.783 265 L CB -0.339 40.811 42.059 -1.515 0.000 0.919 265 L HN 0.684 nan 8.230 nan 0.000 0.442 266 G N -0.216 108.517 108.800 -0.112 0.000 2.519 266 G HA2 0.510 4.466 3.960 -0.005 0.000 0.292 266 G HA3 0.510 4.466 3.960 -0.005 0.000 0.292 266 G C -1.633 173.294 174.900 0.045 0.000 1.507 266 G CA -0.849 44.255 45.100 0.007 0.000 0.806 266 G HN 0.103 nan 8.290 nan 0.000 0.523 267 R N 0.088 120.633 120.500 0.075 0.000 2.771 267 R HA 0.764 5.101 4.340 -0.005 0.000 0.274 267 R C -3.084 173.478 176.300 0.437 0.000 0.987 267 R CA -2.006 54.237 56.100 0.238 0.000 0.908 267 R CB 2.736 32.985 30.300 -0.085 0.000 1.213 267 R HN 0.319 nan 8.270 nan 0.000 0.468 268 P HA 0.058 nan 4.420 nan 0.000 0.286 268 P C -1.336 176.199 177.300 0.391 0.000 1.321 268 P CA -0.229 63.134 63.100 0.439 0.000 0.790 268 P CB 0.231 32.128 31.700 0.329 0.000 0.897 269 W N 6.278 127.627 121.300 0.081 0.000 2.387 269 W HA 0.190 4.846 4.660 -0.007 0.000 0.310 269 W C -0.472 175.963 176.519 -0.139 0.000 1.181 269 W CA -0.267 57.088 57.345 0.017 0.000 1.333 269 W CB -0.098 29.381 29.460 0.031 0.000 1.286 269 W HN 0.444 nan 8.180 nan 0.000 0.455 270 H N 7.855 126.708 119.070 -0.362 0.000 2.700 270 H HA 0.222 4.777 4.556 -0.002 0.000 0.269 270 H C -2.006 172.979 175.328 -0.573 0.000 1.222 270 H CA -1.669 54.014 56.048 -0.608 0.000 1.254 270 H CB 0.525 29.682 29.762 -1.008 0.000 1.413 270 H HN 0.059 nan 8.280 nan 0.000 0.507 271 P HA -0.038 nan 4.420 nan 0.000 0.268 271 P C 0.125 177.287 177.300 -0.230 0.000 1.205 271 P CA -0.035 62.613 63.100 -0.753 0.000 0.771 271 P CB 0.601 31.654 31.700 -1.079 0.000 0.858 272 T N 3.029 117.563 114.554 -0.033 0.000 2.867 272 T HA 0.234 4.581 4.350 -0.005 0.000 0.297 272 T C 0.181 174.807 174.700 -0.123 0.000 0.989 272 T CA 0.571 62.667 62.100 -0.006 0.000 1.159 272 T CB -0.542 68.364 68.868 0.063 0.000 0.928 272 T HN 0.342 nan 8.240 nan 0.000 0.538 273 T N 2.906 117.313 114.554 -0.244 0.000 2.916 273 T HA 0.334 4.681 4.350 -0.005 0.000 0.298 273 T C -0.010 174.255 174.700 -0.725 0.000 1.031 273 T CA -0.739 61.052 62.100 -0.514 0.000 0.993 273 T CB 1.594 70.034 68.868 -0.713 0.000 1.045 273 T HN 0.453 nan 8.240 nan 0.000 0.454 274 T N 3.823 118.023 114.554 -0.591 0.000 2.752 274 T HA 0.481 4.828 4.350 -0.005 0.000 0.295 274 T C -0.547 173.763 174.700 -0.650 0.000 0.923 274 T CA 0.091 61.920 62.100 -0.452 0.000 1.112 274 T CB -0.364 68.371 68.868 -0.222 0.000 0.884 274 T HN 0.274 nan 8.240 nan 0.000 0.525 275 F N 0.714 120.561 119.950 -0.171 0.000 2.613 275 F HA 0.359 4.881 4.527 -0.008 0.000 0.342 275 F C 1.921 177.713 175.800 -0.012 0.000 1.066 275 F CA -1.190 56.745 58.000 -0.109 0.000 1.002 275 F CB 0.921 39.825 39.000 -0.160 0.000 1.319 275 F HN 0.530 nan 8.300 nan 0.000 0.495 276 S N -0.664 115.179 115.700 0.237 0.000 2.419 276 S HA -0.182 4.285 4.470 -0.005 0.000 0.233 276 S C 0.836 175.531 174.600 0.158 0.000 1.016 276 S CA 1.491 59.779 58.200 0.147 0.000 0.974 276 S CB -0.595 62.673 63.200 0.113 0.000 0.786 276 S HN 0.727 nan 8.310 nan 0.000 0.492 277 D N 0.529 121.069 120.400 0.233 0.000 2.427 277 D HA 0.450 5.087 4.640 -0.005 0.000 0.224 277 D C 0.853 177.341 176.300 0.313 0.000 1.157 277 D CA 0.295 54.424 54.000 0.216 0.000 0.828 277 D CB -0.061 40.836 40.800 0.161 0.000 0.974 277 D HN 0.620 nan 8.370 nan 0.000 0.498 278 G N 0.230 109.225 108.800 0.326 0.000 2.353 278 G HA2 -0.033 3.923 3.960 -0.005 0.000 0.615 278 G HA3 -0.033 3.923 3.960 -0.005 0.000 0.615 278 G C -1.535 173.547 174.900 0.305 0.000 1.280 278 G CA -1.079 44.212 45.100 0.317 0.000 1.000 278 G HN 0.345 nan 8.290 nan 0.000 0.516 279 R N 0.473 121.127 120.500 0.257 0.000 2.310 279 R HA 0.719 5.056 4.340 -0.005 0.000 0.324 279 R C -0.484 175.961 176.300 0.242 0.000 0.955 279 R CA -0.759 55.399 56.100 0.096 0.000 0.830 279 R CB 0.609 30.931 30.300 0.036 0.000 1.154 279 R HN 1.058 nan 8.270 nan 0.000 0.458 280 Y N 0.328 120.739 120.300 0.185 0.000 2.750 280 Y HA 0.572 5.120 4.550 -0.003 0.000 0.335 280 Y C -1.240 174.798 175.900 0.230 0.000 1.252 280 Y CA -1.500 56.710 58.100 0.182 0.000 1.064 280 Y CB 0.476 39.033 38.460 0.163 0.000 1.321 280 Y HN 0.500 nan 8.280 nan 0.000 0.451 281 A N 1.679 124.743 122.820 0.406 0.000 2.524 281 A HA 0.166 4.483 4.320 -0.005 0.000 0.250 281 A C -0.181 177.600 177.584 0.329 0.000 1.078 281 A CA 0.342 52.557 52.037 0.297 0.000 0.761 281 A CB -0.408 18.823 19.000 0.385 0.000 1.012 281 A HN 0.624 nan 8.150 nan 0.000 0.500 282 D N 4.263 124.769 120.400 0.177 0.000 2.363 282 D HA 0.104 4.741 4.640 -0.005 0.000 0.263 282 D C -1.164 175.251 176.300 0.191 0.000 1.258 282 D CA -1.666 52.474 54.000 0.233 0.000 0.907 282 D CB 0.970 41.826 40.800 0.093 0.000 1.107 282 D HN 0.268 nan 8.370 nan 0.000 0.495 283 P HA -0.079 nan 4.420 nan 0.000 0.223 283 P C 0.478 177.871 177.300 0.155 0.000 1.151 283 P CA 0.620 63.850 63.100 0.217 0.000 0.787 283 P CB 0.438 32.220 31.700 0.136 0.000 0.788 284 N N -0.025 118.708 118.700 0.055 0.000 2.336 284 N HA 0.077 4.813 4.740 -0.005 0.000 0.189 284 N C 0.648 176.101 175.510 -0.096 0.000 1.113 284 N CA 0.120 53.168 53.050 -0.003 0.000 0.858 284 N CB 0.009 38.497 38.487 0.003 0.000 0.970 284 N HN 0.070 nan 8.380 nan 0.000 0.471 285 A N 1.279 123.967 122.820 -0.220 0.000 2.990 285 A HA 0.300 4.617 4.320 -0.005 0.000 0.282 285 A C 0.227 177.406 177.584 -0.676 0.000 1.688 285 A CA -0.242 51.544 52.037 -0.417 0.000 1.391 285 A CB -1.080 17.613 19.000 -0.511 0.000 1.112 285 A HN 0.148 nan 8.150 nan 0.000 0.588 286 I N 2.577 122.943 120.570 -0.340 0.000 2.313 286 I HA 0.241 4.408 4.170 -0.005 0.000 0.286 286 I C 1.203 177.204 176.117 -0.194 0.000 1.091 286 I CA -0.233 60.910 61.300 -0.262 0.000 1.216 286 I CB 1.047 38.985 38.000 -0.104 0.000 1.434 286 I HN 0.553 nan 8.210 nan 0.000 0.487 287 G N 4.500 113.183 108.800 -0.196 0.000 2.544 287 G HA2 0.151 4.108 3.960 -0.005 0.000 0.242 287 G HA3 0.151 4.108 3.960 -0.005 0.000 0.242 287 G C -0.563 174.357 174.900 0.034 0.000 1.247 287 G CA -0.249 44.840 45.100 -0.018 0.000 0.840 287 G HN 0.604 nan 8.290 nan 0.000 0.578 288 Q N 0.093 119.985 119.800 0.153 0.000 2.333 288 Q HA 0.469 4.806 4.340 -0.005 0.000 0.268 288 Q C -1.136 175.038 176.000 0.290 0.000 1.007 288 Q CA -0.473 55.464 55.803 0.223 0.000 0.810 288 Q CB 1.391 30.263 28.738 0.223 0.000 1.264 288 Q HN 0.425 nan 8.270 nan 0.000 0.452 289 T N 2.991 117.747 114.554 0.336 0.000 2.840 289 T HA 0.474 4.821 4.350 -0.005 0.000 0.287 289 T C -1.044 173.779 174.700 0.204 0.000 0.991 289 T CA -0.435 61.784 62.100 0.198 0.000 0.964 289 T CB 1.369 70.344 68.868 0.178 0.000 0.954 289 T HN 0.365 nan 8.240 nan 0.000 0.438 290 V N 4.100 124.053 119.914 0.065 0.000 2.483 290 V HA 0.538 4.655 4.120 -0.005 0.000 0.297 290 V C -1.045 175.002 176.094 -0.078 0.000 1.027 290 V CA -0.925 61.415 62.300 0.066 0.000 0.855 290 V CB 1.268 32.983 31.823 -0.179 0.000 0.995 290 V HN 0.821 nan 8.190 nan 0.000 0.424 291 F N 5.398 125.462 119.950 0.190 0.000 2.415 291 F HA 0.733 5.261 4.527 0.001 0.000 0.348 291 F C -0.206 175.689 175.800 0.158 0.000 1.119 291 F CA -0.549 57.536 58.000 0.140 0.000 1.069 291 F CB 1.543 40.597 39.000 0.090 0.000 1.124 291 F HN 0.224 nan 8.300 nan 0.000 0.472 292 L N 2.963 124.378 121.223 0.320 0.000 2.385 292 L HA 0.422 4.759 4.340 -0.005 0.000 0.273 292 L C -0.128 176.934 176.870 0.321 0.000 0.990 292 L CA -0.912 54.134 54.840 0.343 0.000 0.821 292 L CB 1.686 43.920 42.059 0.291 0.000 1.279 292 L HN 0.599 nan 8.230 nan 0.000 0.412 293 N N 0.050 118.937 118.700 0.312 0.000 2.714 293 N HA -0.186 4.551 4.740 -0.005 0.000 0.252 293 N C -0.763 174.960 175.510 0.355 0.000 1.014 293 N CA 0.996 54.223 53.050 0.294 0.000 0.735 293 N CB -0.916 37.721 38.487 0.251 0.000 0.924 293 N HN 0.683 nan 8.380 nan 0.000 0.540 294 T N -0.205 114.510 114.554 0.269 0.000 2.807 294 T HA 0.502 4.849 4.350 -0.005 0.000 0.279 294 T C 0.295 174.827 174.700 -0.281 0.000 0.993 294 T CA -0.718 61.444 62.100 0.103 0.000 0.970 294 T CB 1.356 70.338 68.868 0.191 0.000 0.950 294 T HN 0.273 nan 8.240 nan 0.000 0.441 295 S N 3.756 119.096 115.700 -0.600 0.000 2.565 295 S HA 0.712 5.179 4.470 -0.005 0.000 0.274 295 S C -0.335 173.986 174.600 -0.464 0.000 1.309 295 S CA -0.789 56.833 58.200 -0.962 0.000 1.043 295 S CB 0.280 62.883 63.200 -0.996 0.000 0.939 295 S HN 0.651 nan 8.310 nan 0.000 0.504 296 M N 2.561 121.916 119.600 -0.409 0.000 2.267 296 M HA 0.360 4.837 4.480 -0.005 0.000 0.289 296 M C -0.962 175.219 176.300 -0.199 0.000 1.043 296 M CA -0.672 54.445 55.300 -0.306 0.000 0.928 296 M CB 2.124 34.489 32.600 -0.392 0.000 1.613 296 M HN 0.700 nan 8.290 nan 0.000 0.450 297 D N 1.352 121.709 120.400 -0.071 0.000 2.411 297 D HA 0.120 4.757 4.640 -0.005 0.000 0.251 297 D C 0.727 177.036 176.300 0.016 0.000 1.201 297 D CA 0.174 54.192 54.000 0.030 0.000 0.996 297 D CB 0.882 41.758 40.800 0.127 0.000 1.101 297 D HN 0.708 nan 8.370 nan 0.000 0.504 298 N N 0.580 119.312 118.700 0.053 0.000 2.515 298 N HA -0.167 4.569 4.740 -0.005 0.000 0.191 298 N C 1.284 176.825 175.510 0.052 0.000 1.182 298 N CA 0.612 53.668 53.050 0.010 0.000 0.879 298 N CB -0.546 37.949 38.487 0.013 0.000 0.984 298 N HN 0.476 nan 8.380 nan 0.000 0.453 299 H N -0.412 118.638 119.070 -0.033 0.000 2.491 299 H HA 0.047 4.600 4.556 -0.006 0.000 0.290 299 H C 0.166 175.511 175.328 0.027 0.000 1.050 299 H CA 0.032 56.096 56.048 0.027 0.000 1.309 299 H CB -0.166 29.611 29.762 0.025 0.000 1.392 299 H HN 0.087 nan 8.280 nan 0.000 0.554 300 I N 2.991 123.256 120.570 -0.509 0.000 2.471 300 I HA -0.088 4.079 4.170 -0.005 0.000 0.286 300 I C 0.976 176.925 176.117 -0.280 0.000 1.079 300 I CA -0.321 60.663 61.300 -0.527 0.000 1.398 300 I CB 0.228 37.839 38.000 -0.649 0.000 1.403 300 I HN 0.276 nan 8.210 nan 0.000 0.530 301 Y N 4.247 124.430 120.300 -0.195 0.000 2.481 301 Y HA 0.606 5.153 4.550 -0.004 0.000 0.258 301 Y C 0.949 176.756 175.900 -0.156 0.000 1.103 301 Y CA 0.043 58.063 58.100 -0.134 0.000 1.287 301 Y CB -0.061 38.354 38.460 -0.075 0.000 1.108 301 Y HN 0.653 nan 8.280 nan 0.000 0.529 302 G N -0.608 107.896 108.800 -0.494 0.000 2.236 302 G HA2 -0.042 3.915 3.960 -0.005 0.000 0.231 302 G HA3 -0.042 3.915 3.960 -0.005 0.000 0.231 302 G C -1.566 172.992 174.900 -0.570 0.000 1.334 302 G CA -0.899 43.942 45.100 -0.431 0.000 1.137 302 G HN 0.207 nan 8.290 nan 0.000 0.482 303 W N 0.440 121.734 121.300 -0.010 0.000 2.390 303 W HA 0.732 5.389 4.660 -0.006 0.000 0.362 303 W C 0.056 176.705 176.519 0.218 0.000 1.206 303 W CA 0.054 57.412 57.345 0.022 0.000 1.355 303 W CB 1.245 30.762 29.460 0.095 0.000 1.278 303 W HN 0.595 nan 8.180 nan 0.000 0.653 304 D N -0.410 120.294 120.400 0.507 0.000 2.579 304 D HA 0.254 4.891 4.640 -0.005 0.000 0.257 304 D C -1.005 175.525 176.300 0.382 0.000 1.176 304 D CA -0.713 53.552 54.000 0.443 0.000 0.914 304 D CB 1.897 43.012 40.800 0.524 0.000 1.431 304 D HN 0.385 nan 8.370 nan 0.000 0.454 305 K N 0.023 120.614 120.400 0.319 0.000 2.148 305 K HA 0.721 5.038 4.320 -0.005 0.000 0.239 305 K C -0.498 176.338 176.600 0.394 0.000 1.018 305 K CA -0.765 55.739 56.287 0.362 0.000 0.923 305 K CB 2.002 34.696 32.500 0.322 0.000 1.117 305 K HN 0.418 nan 8.250 nan 0.000 0.477 306 M N 1.249 121.139 119.600 0.484 0.000 2.465 306 M HA 0.188 4.665 4.480 -0.005 0.000 0.284 306 M C -1.515 174.909 176.300 0.207 0.000 1.212 306 M CA -0.435 55.068 55.300 0.338 0.000 0.910 306 M CB 2.605 35.346 32.600 0.235 0.000 1.725 306 M HN 0.999 nan 8.290 nan 0.000 0.477 307 S N 1.948 117.479 115.700 -0.280 0.000 2.651 307 S HA 0.999 5.465 4.470 -0.005 0.000 0.291 307 S C -0.323 174.178 174.600 -0.164 0.000 1.141 307 S CA -0.177 57.610 58.200 -0.689 0.000 1.027 307 S CB 1.910 64.119 63.200 -1.651 0.000 1.043 307 S HN 0.939 nan 8.310 nan 0.000 0.530 308 G N 0.889 109.630 108.800 -0.097 0.000 2.975 308 G HA2 0.630 4.587 3.960 -0.005 0.000 0.291 308 G HA3 0.630 4.587 3.960 -0.005 0.000 0.291 308 G C -1.602 173.287 174.900 -0.019 0.000 1.334 308 G CA -0.885 44.268 45.100 0.088 0.000 0.843 308 G HN 0.593 nan 8.290 nan 0.000 0.548 309 K N 1.232 121.677 120.400 0.075 0.000 2.206 309 K HA 0.369 4.685 4.320 -0.005 0.000 0.264 309 K C -0.568 176.101 176.600 0.116 0.000 0.967 309 K CA -0.536 55.781 56.287 0.050 0.000 0.844 309 K CB 1.978 34.517 32.500 0.065 0.000 1.099 309 K HN 0.783 nan 8.250 nan 0.000 0.441 310 D N 0.739 121.154 120.400 0.025 0.000 2.447 310 D HA 0.029 4.666 4.640 -0.005 0.000 0.265 310 D C 0.882 177.104 176.300 -0.130 0.000 1.250 310 D CA -0.288 53.699 54.000 -0.021 0.000 1.046 310 D CB 0.551 41.288 40.800 -0.105 0.000 1.095 310 D HN 0.416 nan 8.370 nan 0.000 0.555 311 K N -0.879 119.223 120.400 -0.497 0.000 2.360 311 K HA -0.098 4.219 4.320 -0.005 0.000 0.201 311 K C 0.498 176.947 176.600 -0.250 0.000 1.046 311 K CA 0.932 56.793 56.287 -0.710 0.000 0.945 311 K CB -0.351 31.550 32.500 -0.998 0.000 0.750 311 K HN 0.196 nan 8.250 nan 0.000 0.464 312 N N 0.266 118.868 118.700 -0.163 0.000 2.280 312 N HA 0.054 4.791 4.740 -0.005 0.000 0.192 312 N C 0.826 176.311 175.510 -0.042 0.000 1.109 312 N CA 0.885 53.884 53.050 -0.086 0.000 0.855 312 N CB 1.229 39.667 38.487 -0.082 0.000 0.974 312 N HN 0.533 nan 8.380 nan 0.000 0.482 313 G N 0.900 109.683 108.800 -0.028 0.000 2.175 313 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.244 313 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.244 313 G C -0.214 174.676 174.900 -0.016 0.000 0.982 313 G CA -0.286 44.813 45.100 -0.002 0.000 0.641 313 G HN 0.373 nan 8.290 nan 0.000 0.527 314 N N 0.838 119.516 118.700 -0.036 0.000 2.524 314 N HA 0.514 5.251 4.740 -0.005 0.000 0.283 314 N C 0.343 175.812 175.510 -0.069 0.000 1.142 314 N CA 0.176 53.200 53.050 -0.044 0.000 0.984 314 N CB 0.716 39.174 38.487 -0.048 0.000 1.155 314 N HN 0.106 nan 8.380 nan 0.000 0.467 315 T N 1.628 116.134 114.554 -0.079 0.000 2.908 315 T HA 0.125 4.472 4.350 -0.005 0.000 0.301 315 T C 0.078 174.653 174.700 -0.209 0.000 1.019 315 T CA 0.311 62.314 62.100 -0.162 0.000 1.152 315 T CB -0.135 68.649 68.868 -0.141 0.000 0.966 315 T HN 0.325 nan 8.240 nan 0.000 0.540 316 I N 2.636 122.993 120.570 -0.356 0.000 2.545 316 I HA 0.540 4.707 4.170 -0.005 0.000 0.292 316 I C -1.532 174.155 176.117 -0.717 0.000 1.040 316 I CA -1.278 59.754 61.300 -0.447 0.000 1.068 316 I CB 1.500 39.213 38.000 -0.478 0.000 1.251 316 I HN 0.649 nan 8.210 nan 0.000 0.424 317 W N 6.558 127.577 121.300 -0.467 0.000 2.433 317 W HA 0.500 5.157 4.660 -0.006 0.000 0.315 317 W C -1.126 175.057 176.519 -0.559 0.000 1.087 317 W CA -0.307 56.818 57.345 -0.368 0.000 1.205 317 W CB 1.347 30.713 29.460 -0.157 0.000 1.288 317 W HN 0.181 nan 8.180 nan 0.000 0.504 318 F N 3.689 123.736 119.950 0.162 0.000 2.411 318 F HA 0.348 4.874 4.527 -0.001 0.000 0.352 318 F C 0.403 176.301 175.800 0.163 0.000 1.123 318 F CA -0.990 57.041 58.000 0.051 0.000 1.044 318 F CB 0.642 39.573 39.000 -0.115 0.000 1.135 318 F HN 0.199 nan 8.300 nan 0.000 0.461 319 N N 4.967 123.819 118.700 0.254 0.000 2.487 319 N HA 0.277 5.014 4.740 -0.005 0.000 0.292 319 N C -1.846 173.740 175.510 0.126 0.000 1.108 319 N CA -1.712 51.450 53.050 0.185 0.000 0.956 319 N CB 1.543 40.093 38.487 0.105 0.000 1.176 319 N HN 0.215 nan 8.380 nan 0.000 0.484 320 P HA -0.155 nan 4.420 nan 0.000 0.218 320 P C 0.947 178.169 177.300 -0.130 0.000 1.149 320 P CA 1.315 64.493 63.100 0.130 0.000 0.817 320 P CB 0.338 32.298 31.700 0.433 0.000 0.785 321 E N 0.270 120.446 120.200 -0.039 0.000 2.268 321 E HA -0.164 4.183 4.350 -0.005 0.000 0.195 321 E C 0.645 177.175 176.600 -0.118 0.000 0.995 321 E CA 1.025 57.378 56.400 -0.079 0.000 0.836 321 E CB -0.858 28.839 29.700 -0.005 0.000 0.763 321 E HN 0.253 nan 8.360 nan 0.000 0.491 322 D N 0.730 121.066 120.400 -0.106 0.000 2.339 322 D HA 0.119 4.756 4.640 -0.005 0.000 0.217 322 D C 0.097 176.286 176.300 -0.185 0.000 1.050 322 D CA 0.151 54.098 54.000 -0.087 0.000 0.856 322 D CB 0.549 41.351 40.800 0.003 0.000 0.922 322 D HN 0.013 nan 8.370 nan 0.000 0.518 323 S N -0.176 115.272 115.700 -0.420 0.000 2.745 323 S HA 0.419 4.886 4.470 -0.005 0.000 0.292 323 S C 0.567 174.722 174.600 -0.741 0.000 1.133 323 S CA -0.763 57.012 58.200 -0.708 0.000 0.998 323 S CB 1.791 64.133 63.200 -1.429 0.000 1.087 323 S HN -0.035 nan 8.310 nan 0.000 0.551 324 R N 0.947 121.082 120.500 -0.608 0.000 4.071 324 R HA 0.255 4.592 4.340 -0.005 0.000 0.220 324 R C -1.358 174.736 176.300 -0.342 0.000 1.614 324 R CA 0.001 55.935 56.100 -0.276 0.000 1.505 324 R CB -0.362 29.996 30.300 0.097 0.000 1.384 324 R HN 0.270 nan 8.270 nan 0.000 0.758 325 F N 1.677 121.008 119.950 -1.032 0.000 2.361 325 F HA 0.431 4.953 4.527 -0.009 0.000 0.364 325 F C -0.109 174.927 175.800 -1.273 0.000 1.117 325 F CA -1.515 55.682 58.000 -1.338 0.000 1.071 325 F CB 0.363 38.090 39.000 -2.123 0.000 1.188 325 F HN 0.059 nan 8.300 nan 0.000 0.464 326 F N 0.602 120.590 119.950 0.063 0.000 2.613 326 F HA 0.573 5.095 4.527 -0.008 0.000 0.314 326 F C -0.171 175.883 175.800 0.424 0.000 1.075 326 F CA -0.980 57.156 58.000 0.227 0.000 0.945 326 F CB 2.067 41.132 39.000 0.108 0.000 1.310 326 F HN 0.256 nan 8.300 nan 0.000 0.467 327 E N 0.213 120.763 120.200 0.583 0.000 2.336 327 E HA 0.444 4.791 4.350 -0.005 0.000 0.267 327 E C -2.080 174.765 176.600 0.409 0.000 0.906 327 E CA -1.091 55.589 56.400 0.466 0.000 0.781 327 E CB 3.254 33.166 29.700 0.353 0.000 1.261 327 E HN 0.547 nan 8.360 nan 0.000 0.436 328 Y N 1.516 121.938 120.300 0.203 0.000 2.332 328 Y HA 0.197 4.745 4.550 -0.003 0.000 0.325 328 Y C -0.972 175.019 175.900 0.153 0.000 1.054 328 Y CA -0.854 57.338 58.100 0.154 0.000 1.119 328 Y CB 0.815 39.346 38.460 0.119 0.000 1.168 328 Y HN 0.529 nan 8.280 nan 0.000 0.439 329 K N 2.842 123.041 120.400 -0.336 0.000 3.148 329 K HA -0.158 4.159 4.320 -0.005 0.000 0.267 329 K C -0.319 176.302 176.600 0.035 0.000 0.996 329 K CA 1.046 57.179 56.287 -0.256 0.000 0.737 329 K CB -1.439 30.768 32.500 -0.488 0.000 1.308 329 K HN 0.614 nan 8.250 nan 0.000 0.470 330 S N 0.165 115.907 115.700 0.070 0.000 2.584 330 S HA 0.395 4.862 4.470 -0.005 0.000 0.270 330 S C -0.053 174.644 174.600 0.162 0.000 1.346 330 S CA -0.304 57.946 58.200 0.084 0.000 1.018 330 S CB 0.289 63.464 63.200 -0.042 0.000 0.899 330 S HN 0.389 nan 8.310 nan 0.000 0.542 331 Y N -1.953 118.316 120.300 -0.053 0.000 2.689 331 Y HA 0.795 5.341 4.550 -0.006 0.000 0.333 331 Y C -0.052 175.818 175.900 -0.050 0.000 1.190 331 Y CA -0.763 57.309 58.100 -0.046 0.000 1.063 331 Y CB 0.503 38.945 38.460 -0.031 0.000 1.294 331 Y HN 1.103 nan 8.280 nan 0.000 0.466 332 G N -0.284 108.532 108.800 0.027 0.000 2.707 332 G HA2 0.287 4.244 3.960 -0.005 0.000 0.686 332 G HA3 0.287 4.244 3.960 -0.005 0.000 0.686 332 G C 0.512 175.379 174.900 -0.054 0.000 1.315 332 G CA -0.084 44.981 45.100 -0.059 0.000 0.832 332 G HN 1.765 nan 8.290 nan 0.000 0.573 333 A N -0.380 122.413 122.820 -0.045 0.000 2.076 333 A HA 0.282 4.599 4.320 -0.005 0.000 0.220 333 A C 2.603 180.149 177.584 -0.064 0.000 1.160 333 A CA 2.541 54.557 52.037 -0.036 0.000 0.653 333 A CB -0.536 18.454 19.000 -0.017 0.000 0.801 333 A HN 2.362 nan 8.150 nan 0.000 0.455 334 G N -1.392 107.340 108.800 -0.114 0.000 2.985 334 G HA2 0.361 4.318 3.960 -0.005 0.000 0.209 334 G HA3 0.361 4.318 3.960 -0.005 0.000 0.209 334 G C 0.588 175.371 174.900 -0.194 0.000 1.165 334 G CA 0.566 45.562 45.100 -0.174 0.000 0.776 334 G HN 0.775 nan 8.290 nan 0.000 0.541 335 A N 1.646 124.380 122.820 -0.143 0.000 3.094 335 A HA 0.565 4.882 4.320 -0.005 0.000 0.288 335 A C 0.785 178.333 177.584 -0.060 0.000 1.519 335 A CA -0.194 51.771 52.037 -0.119 0.000 1.227 335 A CB -0.676 18.274 19.000 -0.084 0.000 1.175 335 A HN 0.280 nan 8.150 nan 0.000 0.568 336 T N -1.335 113.182 114.554 -0.062 0.000 2.875 336 T HA 0.591 4.938 4.350 -0.005 0.000 0.284 336 T C -0.290 174.413 174.700 0.005 0.000 0.995 336 T CA -0.640 61.448 62.100 -0.020 0.000 1.060 336 T CB 1.520 70.380 68.868 -0.014 0.000 0.967 336 T HN 0.180 nan 8.240 nan 0.000 0.476 337 V N 3.569 123.500 119.914 0.028 0.000 2.370 337 V HA 0.707 4.824 4.120 -0.005 0.000 0.283 337 V C 0.311 176.443 176.094 0.062 0.000 1.023 337 V CA -0.429 61.904 62.300 0.056 0.000 0.857 337 V CB 0.681 32.538 31.823 0.057 0.000 0.985 337 V HN 1.301 nan 8.190 nan 0.000 0.443 338 S N 4.031 119.782 115.700 0.083 0.000 2.705 338 S HA 0.469 4.936 4.470 -0.005 0.000 0.280 338 S C 0.601 175.263 174.600 0.103 0.000 1.174 338 S CA -0.748 57.501 58.200 0.082 0.000 0.823 338 S CB 1.829 65.073 63.200 0.074 0.000 1.162 338 S HN 0.624 nan 8.310 nan 0.000 0.487 339 K N 0.220 120.674 120.400 0.091 0.000 2.280 339 K HA -0.078 4.239 4.320 -0.005 0.000 0.202 339 K C -0.005 176.663 176.600 0.112 0.000 1.047 339 K CA 1.398 57.742 56.287 0.095 0.000 0.942 339 K CB -0.558 31.986 32.500 0.074 0.000 0.739 339 K HN 0.612 nan 8.250 nan 0.000 0.457 340 D N 1.092 121.570 120.400 0.129 0.000 2.340 340 D HA 0.034 4.671 4.640 -0.005 0.000 0.220 340 D C -0.007 176.452 176.300 0.265 0.000 1.039 340 D CA 0.248 54.351 54.000 0.171 0.000 0.866 340 D CB 0.321 41.220 40.800 0.165 0.000 0.913 340 D HN 0.195 nan 8.370 nan 0.000 0.523 341 R N 1.046 121.691 120.500 0.242 0.000 2.513 341 R HA 0.301 4.638 4.340 -0.005 0.000 0.283 341 R C -0.510 175.959 176.300 0.281 0.000 1.535 341 R CA -0.614 55.687 56.100 0.334 0.000 1.315 341 R CB 1.176 31.618 30.300 0.238 0.000 1.163 341 R HN -0.184 nan 8.270 nan 0.000 0.573 342 R N 1.336 121.991 120.500 0.258 0.000 2.623 342 R HA 0.054 4.390 4.340 -0.005 0.000 0.271 342 R C 0.096 176.634 176.300 0.396 0.000 1.043 342 R CA 0.323 56.594 56.100 0.285 0.000 1.083 342 R CB 0.497 30.959 30.300 0.269 0.000 0.974 342 R HN 0.222 nan 8.270 nan 0.000 0.436 343 Q N 2.451 122.458 119.800 0.345 0.000 2.342 343 Q HA 0.332 4.669 4.340 -0.005 0.000 0.267 343 Q C -0.445 175.731 176.000 0.293 0.000 1.038 343 Q CA -0.705 55.290 55.803 0.320 0.000 0.832 343 Q CB 2.107 30.982 28.738 0.229 0.000 1.323 343 Q HN 0.453 nan 8.270 nan 0.000 0.448 344 L N 1.729 123.132 121.223 0.299 0.000 2.417 344 L HA 0.246 4.582 4.340 -0.005 0.000 0.268 344 L C 1.146 178.166 176.870 0.250 0.000 1.158 344 L CA -0.381 54.566 54.840 0.179 0.000 0.819 344 L CB 0.443 42.554 42.059 0.086 0.000 1.112 344 L HN 0.698 nan 8.230 nan 0.000 0.458 345 T N -2.560 112.072 114.554 0.130 0.000 2.813 345 T HA 0.034 4.381 4.350 -0.005 0.000 0.297 345 T C 0.804 175.561 174.700 0.095 0.000 1.036 345 T CA -0.757 61.427 62.100 0.139 0.000 1.044 345 T CB 0.923 69.836 68.868 0.074 0.000 0.993 345 T HN 0.516 nan 8.240 nan 0.000 0.535 346 D N 1.147 121.638 120.400 0.152 0.000 2.116 346 D HA -0.127 4.510 4.640 -0.005 0.000 0.193 346 D C 2.345 178.618 176.300 -0.044 0.000 0.998 346 D CA 1.880 55.923 54.000 0.073 0.000 0.836 346 D CB -0.817 40.063 40.800 0.134 0.000 0.951 346 D HN 0.763 nan 8.370 nan 0.000 0.449 347 A N 0.605 123.422 122.820 -0.006 0.000 1.902 347 A HA -0.218 4.099 4.320 -0.005 0.000 0.217 347 A C 2.159 179.720 177.584 -0.037 0.000 1.181 347 A CA 1.456 53.483 52.037 -0.018 0.000 0.623 347 A CB -0.592 18.406 19.000 -0.003 0.000 0.818 347 A HN 0.218 nan 8.150 nan 0.000 0.443 348 Q N -0.755 119.023 119.800 -0.036 0.000 2.084 348 Q HA -0.087 4.250 4.340 -0.005 0.000 0.202 348 Q C 2.396 178.416 176.000 0.034 0.000 0.978 348 Q CA 1.328 57.121 55.803 -0.015 0.000 0.844 348 Q CB -0.369 28.355 28.738 -0.024 0.000 0.898 348 Q HN 0.686 nan 8.270 nan 0.000 0.426 349 A N 0.927 123.660 122.820 -0.144 0.000 1.972 349 A HA -0.110 4.206 4.320 -0.005 0.000 0.219 349 A C 2.206 179.760 177.584 -0.051 0.000 1.169 349 A CA 1.449 53.330 52.037 -0.260 0.000 0.635 349 A CB -0.654 17.634 19.000 -1.186 0.000 0.810 349 A HN 0.400 nan 8.150 nan 0.000 0.446 350 A N -0.472 122.305 122.820 -0.071 0.000 2.178 350 A HA -0.056 4.261 4.320 -0.005 0.000 0.218 350 A C 1.579 179.149 177.584 -0.023 0.000 1.157 350 A CA 1.312 53.330 52.037 -0.031 0.000 0.689 350 A CB -0.254 18.726 19.000 -0.033 0.000 0.787 350 A HN 0.432 nan 8.150 nan 0.000 0.465 351 E N -1.305 118.873 120.200 -0.035 0.000 2.502 351 E HA -0.009 4.338 4.350 -0.005 0.000 0.194 351 E C -0.292 176.155 176.600 -0.254 0.000 1.062 351 E CA 0.474 56.783 56.400 -0.151 0.000 0.867 351 E CB -0.158 29.388 29.700 -0.256 0.000 0.888 351 E HN 0.845 nan 8.360 nan 0.000 0.510 352 Y N 0.626 120.944 120.300 0.030 0.000 2.720 352 Y HA 0.080 4.627 4.550 -0.004 0.000 0.277 352 Y C 0.913 176.776 175.900 -0.061 0.000 1.144 352 Y CA -0.525 57.576 58.100 0.003 0.000 1.221 352 Y CB 0.128 38.627 38.460 0.065 0.000 1.163 352 Y HN -0.155 nan 8.280 nan 0.000 0.537 353 T N -3.242 111.313 114.554 0.001 0.000 2.802 353 T HA -0.042 4.305 4.350 -0.005 0.000 0.305 353 T C 1.341 175.971 174.700 -0.116 0.000 1.053 353 T CA -0.385 61.694 62.100 -0.035 0.000 1.058 353 T CB 1.259 70.097 68.868 -0.050 0.000 0.988 353 T HN 0.472 nan 8.240 nan 0.000 0.539 354 Q N 0.446 120.168 119.800 -0.130 0.000 2.135 354 Q HA -0.167 4.170 4.340 -0.005 0.000 0.204 354 Q C 2.407 178.249 176.000 -0.263 0.000 0.981 354 Q CA 1.888 57.546 55.803 -0.240 0.000 0.856 354 Q CB -0.487 28.060 28.738 -0.319 0.000 0.902 354 Q HN 0.854 nan 8.270 nan 0.000 0.425 355 S N -0.167 115.412 115.700 -0.201 0.000 2.368 355 S HA -0.147 4.320 4.470 -0.005 0.000 0.225 355 S C 1.763 176.271 174.600 -0.152 0.000 1.030 355 S CA 1.326 59.424 58.200 -0.170 0.000 0.999 355 S CB -0.041 63.086 63.200 -0.122 0.000 0.844 355 S HN 0.349 nan 8.310 nan 0.000 0.459 356 K N 0.338 120.640 120.400 -0.164 0.000 2.062 356 K HA 0.029 4.346 4.320 -0.005 0.000 0.205 356 K C 2.152 178.550 176.600 -0.336 0.000 1.051 356 K CA 1.275 57.464 56.287 -0.162 0.000 0.941 356 K CB -0.482 31.945 32.500 -0.121 0.000 0.719 356 K HN 0.306 nan 8.250 nan 0.000 0.440 357 V N 1.960 121.541 119.914 -0.555 0.000 2.358 357 V HA -0.178 3.939 4.120 -0.005 0.000 0.246 357 V C 2.145 178.065 176.094 -0.291 0.000 1.047 357 V CA 1.507 63.338 62.300 -0.781 0.000 1.035 357 V CB -0.336 31.137 31.823 -0.584 0.000 0.658 357 V HN 0.239 nan 8.190 nan 0.000 0.452 358 L N -0.682 120.425 121.223 -0.192 0.000 2.529 358 L HA 0.357 4.694 4.340 -0.005 0.000 0.223 358 L C 1.678 178.563 176.870 0.025 0.000 1.113 358 L CA 0.636 55.452 54.840 -0.039 0.000 0.861 358 L CB -0.764 41.198 42.059 -0.162 0.000 1.012 358 L HN 0.534 nan 8.230 nan 0.000 0.461 359 G N 2.302 111.082 108.800 -0.034 0.000 2.591 359 G HA2 -0.466 3.490 3.960 -0.005 0.000 0.298 359 G HA3 -0.466 3.490 3.960 -0.005 0.000 0.298 359 G C 0.458 175.359 174.900 0.002 0.000 1.195 359 G CA 0.655 45.756 45.100 0.002 0.000 0.989 359 G HN 0.551 nan 8.290 nan 0.000 0.551 360 D N -0.513 119.912 120.400 0.040 0.000 2.371 360 D HA 0.128 4.765 4.640 -0.005 0.000 0.221 360 D C 0.887 177.244 176.300 0.095 0.000 0.986 360 D CA 0.971 54.996 54.000 0.042 0.000 0.899 360 D CB -0.044 40.779 40.800 0.038 0.000 0.902 360 D HN 0.522 nan 8.370 nan 0.000 0.530 361 W N 1.746 122.986 121.300 -0.101 0.000 2.331 361 W HA 0.474 5.139 4.660 0.009 0.000 0.306 361 W C -0.905 175.510 176.519 -0.173 0.000 1.162 361 W CA -0.998 56.276 57.345 -0.119 0.000 1.232 361 W CB 0.981 30.375 29.460 -0.110 0.000 1.235 361 W HN -0.315 nan 8.180 nan 0.000 0.479 362 T N 9.414 123.714 114.554 -0.423 0.000 2.801 362 T HA 0.267 4.614 4.350 -0.005 0.000 0.306 362 T C -2.437 171.713 174.700 -0.916 0.000 1.020 362 T CA -1.256 60.457 62.100 -0.645 0.000 0.948 362 T CB 0.838 69.515 68.868 -0.318 0.000 0.962 362 T HN 0.140 nan 8.240 nan 0.000 0.465 363 P HA 0.197 nan 4.420 nan 0.000 0.263 363 P C -0.225 176.716 177.300 -0.598 0.000 1.195 363 P CA -0.060 62.281 63.100 -1.265 0.000 0.762 363 P CB 0.281 30.877 31.700 -1.839 0.000 0.799 364 T N 1.025 115.514 114.554 -0.108 0.000 2.909 364 T HA 0.648 4.995 4.350 -0.005 0.000 0.299 364 T C -0.559 174.279 174.700 0.229 0.000 1.073 364 T CA -0.930 61.216 62.100 0.077 0.000 0.999 364 T CB 0.759 69.629 68.868 0.004 0.000 1.098 364 T HN 0.037 nan 8.240 nan 0.000 0.477 365 L N 2.309 123.628 121.223 0.160 0.000 2.360 365 L HA 0.583 4.920 4.340 -0.005 0.000 0.271 365 L C -1.589 175.212 176.870 -0.114 0.000 1.057 365 L CA -2.101 52.742 54.840 0.005 0.000 0.803 365 L CB 0.513 42.554 42.059 -0.031 0.000 1.207 365 L HN 0.594 nan 8.230 nan 0.000 0.445 366 P HA 0.000 nan 4.420 nan 0.000 0.216 366 P CA 0.000 62.940 63.100 -0.267 0.000 0.800 366 P CB 0.000 31.483 31.700 -0.362 0.000 0.726