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 2ntq_1_A DATA FIRST_RESID 25 DATA SEQUENCE ATTYNAVVSK SSSDGKTFKT IADAIASAPA GSTPFVILIK NGVYNERLTI DATA SEQUENCE TRNNLHLKGE SRNGAVIAAA TAAGTLKSDG SKWGTAGSST ITISAKDFSA DATA SEQUENCE QSLTIRNDFD FPANQAKSDS DSSKIKDTQA VALYVTKSGD RAYFKDVSLV DATA SEQUENCE GYQDTLYVSG GRSFFSDcRI SGTVDFIFGD GTALFNNcDL VSRYRADVKS DATA SEQUENCE GNVSGYLTAP STNINQKYGL VITNSRVIRE SDSVPAKSYG LGRPWHPTTT DATA SEQUENCE FSDGRYADPN AIGQTVFLNT SMDNHIYGWD KMSGKDKNGN TIWFNPEDSR DATA SEQUENCE FFEYKSYGAG ATVSKDRRQL TDAQAAEYTQ SKVLGDWTPT LP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.507 177.584 -0.128 0.000 1.274 25 A CA 0.000 51.984 52.037 -0.089 0.000 0.836 25 A CB 0.000 18.955 19.000 -0.075 0.000 0.831 26 T N -0.809 113.644 114.554 -0.169 0.000 2.879 26 T HA 0.821 5.163 4.350 -0.014 0.000 0.290 26 T C -0.441 174.023 174.700 -0.393 0.000 0.993 26 T CA -0.385 61.548 62.100 -0.277 0.000 0.975 26 T CB 1.808 70.511 68.868 -0.275 0.000 0.981 26 T HN 1.356 nan 8.240 nan 0.000 0.439 27 T N 1.982 116.252 114.554 -0.474 0.000 2.903 27 T HA 0.636 4.978 4.350 -0.014 0.000 0.299 27 T C -1.855 172.513 174.700 -0.553 0.000 1.093 27 T CA -0.614 61.209 62.100 -0.462 0.000 1.002 27 T CB 1.026 69.763 68.868 -0.218 0.000 1.127 27 T HN 0.543 nan 8.240 nan 0.000 0.488 28 Y N 2.994 123.237 120.300 -0.094 0.000 2.352 28 Y HA 0.395 4.936 4.550 -0.015 0.000 0.339 28 Y C 1.362 177.158 175.900 -0.173 0.000 0.992 28 Y CA -0.978 57.041 58.100 -0.135 0.000 1.100 28 Y CB 1.326 39.728 38.460 -0.096 0.000 1.192 28 Y HN 0.685 nan 8.280 nan 0.000 0.458 29 N N 1.635 120.226 118.700 -0.183 0.000 2.331 29 N HA 0.177 4.908 4.740 -0.014 0.000 0.180 29 N C -0.186 175.208 175.510 -0.193 0.000 1.019 29 N CA 1.016 53.851 53.050 -0.358 0.000 0.881 29 N CB 0.306 38.154 38.487 -1.064 0.000 0.972 29 N HN 0.640 nan 8.380 nan 0.000 0.435 30 A N -0.463 122.282 122.820 -0.125 0.000 2.594 30 A HA 0.648 4.959 4.320 -0.014 0.000 0.295 30 A C -1.544 176.094 177.584 0.091 0.000 1.071 30 A CA -0.577 51.537 52.037 0.128 0.000 0.685 30 A CB 1.333 20.448 19.000 0.193 0.000 1.285 30 A HN -0.133 nan 8.150 nan 0.000 0.405 31 V N 1.219 121.241 119.914 0.181 0.000 2.588 31 V HA 0.574 4.685 4.120 -0.014 0.000 0.304 31 V C -0.464 175.724 176.094 0.156 0.000 1.042 31 V CA -0.620 61.715 62.300 0.058 0.000 0.877 31 V CB 1.696 33.522 31.823 0.006 0.000 0.996 31 V HN 0.744 nan 8.190 nan 0.000 0.425 32 V N 3.302 123.249 119.914 0.055 0.000 2.435 32 V HA 0.773 4.884 4.120 -0.014 0.000 0.290 32 V C 0.062 176.218 176.094 0.103 0.000 1.030 32 V CA -0.078 62.271 62.300 0.082 0.000 0.881 32 V CB 1.749 33.515 31.823 -0.096 0.000 0.983 32 V HN 0.921 nan 8.190 nan 0.000 0.445 33 S N 2.763 118.576 115.700 0.188 0.000 2.556 33 S HA 0.456 4.917 4.470 -0.014 0.000 0.271 33 S C 0.327 175.050 174.600 0.205 0.000 1.135 33 S CA -0.731 57.585 58.200 0.193 0.000 0.858 33 S CB 1.939 65.197 63.200 0.097 0.000 1.114 33 S HN 0.633 nan 8.310 nan 0.000 0.468 34 K N 1.276 121.759 120.400 0.139 0.000 2.366 34 K HA 0.213 4.524 4.320 -0.014 0.000 0.198 34 K C 0.182 176.800 176.600 0.030 0.000 1.044 34 K CA 0.373 56.683 56.287 0.038 0.000 0.973 34 K CB -0.116 32.346 32.500 -0.062 0.000 0.767 34 K HN 0.457 nan 8.250 nan 0.000 0.475 35 S N 0.862 116.586 115.700 0.039 0.000 2.480 35 S HA 0.100 4.562 4.470 -0.014 0.000 0.286 35 S C 1.141 175.755 174.600 0.023 0.000 1.180 35 S CA -0.496 57.718 58.200 0.023 0.000 1.075 35 S CB 1.738 64.949 63.200 0.018 0.000 0.996 35 S HN 0.271 nan 8.310 nan 0.000 0.487 36 S N 1.814 117.523 115.700 0.014 0.000 2.436 36 S HA -0.063 4.399 4.470 -0.014 0.000 0.228 36 S C 1.756 176.358 174.600 0.002 0.000 1.014 36 S CA 0.877 59.081 58.200 0.007 0.000 0.950 36 S CB -0.275 62.927 63.200 0.004 0.000 0.784 36 S HN 0.563 nan 8.310 nan 0.000 0.504 37 S N 1.281 116.983 115.700 0.004 0.000 2.555 37 S HA -0.030 4.432 4.470 -0.014 0.000 0.230 37 S C 1.275 175.877 174.600 0.004 0.000 0.978 37 S CA 0.758 58.959 58.200 0.003 0.000 0.934 37 S CB -0.717 62.485 63.200 0.003 0.000 0.766 37 S HN 0.601 nan 8.310 nan 0.000 0.533 38 D N -0.107 120.297 120.400 0.007 0.000 2.219 38 D HA 0.223 4.855 4.640 -0.014 0.000 0.205 38 D C 1.173 177.475 176.300 0.003 0.000 0.970 38 D CA 1.274 55.280 54.000 0.009 0.000 0.851 38 D CB 0.104 40.915 40.800 0.019 0.000 0.943 38 D HN 0.570 nan 8.370 nan 0.000 0.488 39 G N -0.066 108.731 108.800 -0.004 0.000 2.253 39 G HA2 -0.179 3.773 3.960 -0.014 0.000 0.190 39 G HA3 -0.179 3.773 3.960 -0.014 0.000 0.190 39 G C -1.124 173.757 174.900 -0.032 0.000 1.274 39 G CA -0.280 44.813 45.100 -0.013 0.000 1.275 39 G HN 0.226 nan 8.290 nan 0.000 0.518 40 K N 1.502 121.878 120.400 -0.039 0.000 2.480 40 K HA 0.452 4.763 4.320 -0.014 0.000 0.241 40 K C 0.043 176.575 176.600 -0.113 0.000 1.261 40 K CA 0.471 56.711 56.287 -0.079 0.000 1.193 40 K CB -0.090 32.374 32.500 -0.060 0.000 1.598 40 K HN 0.810 nan 8.250 nan 0.000 0.278 41 T N -1.697 112.785 114.554 -0.119 0.000 2.924 41 T HA 0.515 4.856 4.350 -0.014 0.000 0.291 41 T C -0.301 174.304 174.700 -0.159 0.000 1.045 41 T CA -0.848 61.206 62.100 -0.077 0.000 1.015 41 T CB 0.751 69.631 68.868 0.020 0.000 1.103 41 T HN 0.193 nan 8.240 nan 0.000 0.496 42 F N 1.066 121.039 119.950 0.039 0.000 2.375 42 F HA 0.449 4.969 4.527 -0.012 0.000 0.333 42 F C 1.861 177.702 175.800 0.068 0.000 1.104 42 F CA -0.683 57.346 58.000 0.049 0.000 1.149 42 F CB 1.284 40.312 39.000 0.047 0.000 1.190 42 F HN 0.611 nan 8.300 nan 0.000 0.533 43 K N -0.062 120.492 120.400 0.258 0.000 2.186 43 K HA 0.017 4.328 4.320 -0.014 0.000 0.202 43 K C 0.597 177.353 176.600 0.260 0.000 1.052 43 K CA 1.007 57.421 56.287 0.211 0.000 0.965 43 K CB 0.071 32.657 32.500 0.144 0.000 0.746 43 K HN 0.743 nan 8.250 nan 0.000 0.457 44 T N -2.615 112.077 114.554 0.230 0.000 2.908 44 T HA 0.378 4.719 4.350 -0.014 0.000 0.290 44 T C 1.110 175.843 174.700 0.055 0.000 1.034 44 T CA -0.815 61.391 62.100 0.177 0.000 1.010 44 T CB 1.540 70.491 68.868 0.139 0.000 1.068 44 T HN -0.094 nan 8.240 nan 0.000 0.481 45 I N 1.596 122.139 120.570 -0.044 0.000 2.252 45 I HA -0.046 4.116 4.170 -0.014 0.000 0.245 45 I C 3.023 179.090 176.117 -0.085 0.000 1.102 45 I CA 1.455 62.681 61.300 -0.123 0.000 1.385 45 I CB -0.726 37.172 38.000 -0.169 0.000 1.064 45 I HN 0.880 nan 8.210 nan 0.000 0.414 46 A N 0.794 123.593 122.820 -0.036 0.000 1.917 46 A HA -0.272 4.040 4.320 -0.014 0.000 0.219 46 A C 1.965 179.505 177.584 -0.074 0.000 1.182 46 A CA 2.295 54.310 52.037 -0.037 0.000 0.633 46 A CB -0.663 18.337 19.000 0.001 0.000 0.819 46 A HN 0.355 nan 8.150 nan 0.000 0.448 47 D N -0.035 120.333 120.400 -0.053 0.000 2.097 47 D HA -0.066 4.565 4.640 -0.014 0.000 0.195 47 D C 2.273 178.318 176.300 -0.426 0.000 0.989 47 D CA 1.635 55.590 54.000 -0.074 0.000 0.827 47 D CB -0.532 40.356 40.800 0.147 0.000 0.966 47 D HN 0.430 nan 8.370 nan 0.000 0.456 48 A N 0.661 123.093 122.820 -0.647 0.000 1.902 48 A HA -0.146 4.165 4.320 -0.014 0.000 0.217 48 A C 2.401 179.735 177.584 -0.416 0.000 1.181 48 A CA 0.995 52.425 52.037 -1.013 0.000 0.623 48 A CB -0.741 17.927 19.000 -0.555 0.000 0.818 48 A HN 0.208 nan 8.150 nan 0.000 0.443 49 I N -0.280 120.154 120.570 -0.227 0.000 2.226 49 I HA -0.265 3.897 4.170 -0.014 0.000 0.245 49 I C 2.924 178.889 176.117 -0.252 0.000 1.100 49 I CA 1.041 62.246 61.300 -0.158 0.000 1.374 49 I CB -0.318 37.631 38.000 -0.084 0.000 1.057 49 I HN 0.350 nan 8.210 nan 0.000 0.413 50 A N 0.619 123.314 122.820 -0.208 0.000 2.019 50 A HA -0.208 4.103 4.320 -0.014 0.000 0.219 50 A C 2.434 179.904 177.584 -0.191 0.000 1.164 50 A CA 1.951 53.887 52.037 -0.169 0.000 0.644 50 A CB -0.745 18.198 19.000 -0.096 0.000 0.805 50 A HN 0.537 nan 8.150 nan 0.000 0.449 51 S N -0.029 115.532 115.700 -0.230 0.000 2.515 51 S HA 0.343 4.804 4.470 -0.014 0.000 0.231 51 S C 1.030 175.490 174.600 -0.234 0.000 0.987 51 S CA 0.447 58.573 58.200 -0.122 0.000 0.936 51 S CB -0.779 62.420 63.200 -0.002 0.000 0.766 51 S HN 0.964 nan 8.310 nan 0.000 0.528 52 A N 3.827 126.261 122.820 -0.645 0.000 2.511 52 A HA 0.473 4.785 4.320 -0.014 0.000 0.242 52 A C -1.730 175.584 177.584 -0.449 0.000 1.069 52 A CA -1.246 50.119 52.037 -1.120 0.000 0.763 52 A CB -0.374 17.642 19.000 -1.641 0.000 1.001 52 A HN 0.459 nan 8.150 nan 0.000 0.498 53 P HA 0.261 nan 4.420 nan 0.000 0.269 53 P C -0.014 177.217 177.300 -0.115 0.000 1.209 53 P CA 0.110 63.148 63.100 -0.103 0.000 0.776 53 P CB 0.559 32.254 31.700 -0.009 0.000 0.876 54 A N 1.985 124.758 122.820 -0.078 0.000 2.540 54 A HA 0.495 4.806 4.320 -0.014 0.000 0.239 54 A C 0.985 178.543 177.584 -0.044 0.000 1.061 54 A CA 1.133 53.131 52.037 -0.066 0.000 0.758 54 A CB -1.069 17.903 19.000 -0.047 0.000 0.991 54 A HN 0.949 nan 8.150 nan 0.000 0.502 55 G N 0.144 108.918 108.800 -0.043 0.000 2.250 55 G HA2 0.349 4.300 3.960 -0.014 0.000 0.252 55 G HA3 0.349 4.300 3.960 -0.014 0.000 0.252 55 G C 0.198 175.088 174.900 -0.017 0.000 1.325 55 G CA 0.442 45.529 45.100 -0.022 0.000 1.091 55 G HN 2.070 nan 8.290 nan 0.000 0.476 56 S N -1.188 114.515 115.700 0.004 0.000 2.993 56 S HA 0.417 4.879 4.470 -0.014 0.000 0.257 56 S C 0.662 175.289 174.600 0.045 0.000 0.997 56 S CA 1.073 59.283 58.200 0.016 0.000 1.191 56 S CB -0.111 63.092 63.200 0.004 0.000 1.143 56 S HN 2.004 nan 8.310 nan 0.000 0.655 57 T N 2.348 116.936 114.554 0.057 0.000 2.932 57 T HA 0.368 4.709 4.350 -0.014 0.000 0.312 57 T C -2.671 172.110 174.700 0.134 0.000 1.071 57 T CA -1.136 61.014 62.100 0.083 0.000 1.128 57 T CB -0.221 68.697 68.868 0.083 0.000 0.984 57 T HN 0.130 nan 8.240 nan 0.000 0.549 58 P HA 0.222 nan 4.420 nan 0.000 0.268 58 P C -1.172 176.286 177.300 0.263 0.000 1.204 58 P CA -0.223 63.004 63.100 0.211 0.000 0.768 58 P CB 0.123 31.890 31.700 0.111 0.000 0.842 59 F N 3.774 123.810 119.950 0.143 0.000 2.499 59 F HA 0.361 4.879 4.527 -0.016 0.000 0.333 59 F C -1.009 174.870 175.800 0.132 0.000 1.138 59 F CA -0.734 57.323 58.000 0.094 0.000 0.945 59 F CB 1.472 40.496 39.000 0.040 0.000 1.181 59 F HN -0.006 nan 8.300 nan 0.000 0.435 60 V N 7.362 127.148 119.914 -0.214 0.000 2.448 60 V HA 0.484 4.596 4.120 -0.014 0.000 0.295 60 V C -0.197 175.832 176.094 -0.107 0.000 1.025 60 V CA -0.715 61.560 62.300 -0.042 0.000 0.859 60 V CB 1.687 33.506 31.823 -0.007 0.000 0.988 60 V HN 0.561 nan 8.190 nan 0.000 0.431 61 I N 5.387 125.951 120.570 -0.010 0.000 2.389 61 I HA 0.395 4.557 4.170 -0.014 0.000 0.288 61 I C -0.621 175.413 176.117 -0.137 0.000 0.999 61 I CA -0.716 60.549 61.300 -0.059 0.000 1.129 61 I CB 1.873 39.868 38.000 -0.009 0.000 1.288 61 I HN 0.438 nan 8.210 nan 0.000 0.444 62 L N 8.344 129.356 121.223 -0.351 0.000 2.305 62 L HA 0.498 4.830 4.340 -0.014 0.000 0.281 62 L C -0.624 176.073 176.870 -0.289 0.000 1.085 62 L CA 0.287 54.789 54.840 -0.564 0.000 0.813 62 L CB 0.619 41.970 42.059 -1.180 0.000 1.157 62 L HN 0.409 nan 8.230 nan 0.000 0.436 63 I N 6.054 126.492 120.570 -0.220 0.000 2.359 63 I HA 0.308 4.470 4.170 -0.014 0.000 0.284 63 I C -0.055 176.019 176.117 -0.070 0.000 1.018 63 I CA -0.840 60.357 61.300 -0.173 0.000 1.173 63 I CB 0.761 38.627 38.000 -0.223 0.000 1.326 63 I HN 0.487 nan 8.210 nan 0.000 0.462 64 K N 4.092 124.492 120.400 0.000 0.000 2.276 64 K HA 0.179 4.491 4.320 -0.014 0.000 0.259 64 K C -0.030 176.669 176.600 0.165 0.000 1.001 64 K CA -0.473 55.852 56.287 0.062 0.000 0.927 64 K CB 0.397 32.938 32.500 0.068 0.000 0.969 64 K HN 0.414 nan 8.250 nan 0.000 0.490 65 N N 0.639 119.404 118.700 0.107 0.000 2.293 65 N HA 0.085 4.817 4.740 -0.014 0.000 0.253 65 N C 0.468 176.039 175.510 0.102 0.000 1.248 65 N CA 0.972 54.086 53.050 0.106 0.000 0.845 65 N CB 0.382 38.899 38.487 0.050 0.000 1.073 65 N HN 0.727 nan 8.380 nan 0.000 0.464 66 G N -0.815 108.026 108.800 0.068 0.000 2.350 66 G HA2 0.150 4.101 3.960 -0.014 0.000 0.305 66 G HA3 0.150 4.101 3.960 -0.014 0.000 0.305 66 G C -1.645 173.151 174.900 -0.174 0.000 1.479 66 G CA -0.855 44.155 45.100 -0.151 0.000 0.949 66 G HN 0.331 nan 8.290 nan 0.000 0.651 67 V N 1.057 120.807 119.914 -0.273 0.000 2.350 67 V HA 0.479 4.591 4.120 -0.014 0.000 0.276 67 V C -0.873 175.052 176.094 -0.281 0.000 1.028 67 V CA -0.528 61.687 62.300 -0.142 0.000 0.860 67 V CB 0.628 32.411 31.823 -0.066 0.000 0.990 67 V HN 0.549 nan 8.190 nan 0.000 0.453 68 Y N 3.057 123.374 120.300 0.028 0.000 2.417 68 Y HA 0.294 4.837 4.550 -0.013 0.000 0.336 68 Y C 0.931 176.849 175.900 0.029 0.000 0.961 68 Y CA -0.540 57.579 58.100 0.031 0.000 1.215 68 Y CB 0.694 39.175 38.460 0.035 0.000 1.120 68 Y HN 0.627 nan 8.280 nan 0.000 0.499 69 N N 4.772 123.539 118.700 0.112 0.000 2.739 69 N HA 0.079 4.810 4.740 -0.014 0.000 0.266 69 N C -1.039 174.522 175.510 0.086 0.000 1.168 69 N CA 0.105 53.203 53.050 0.080 0.000 1.055 69 N CB 0.183 38.697 38.487 0.045 0.000 1.393 69 N HN 0.762 nan 8.380 nan 0.000 0.514 70 E N 1.897 122.151 120.200 0.090 0.000 2.356 70 E HA 0.371 4.713 4.350 -0.014 0.000 0.275 70 E C -1.015 175.607 176.600 0.036 0.000 0.904 70 E CA -0.820 55.621 56.400 0.069 0.000 0.757 70 E CB 2.245 31.998 29.700 0.089 0.000 1.232 70 E HN 0.366 nan 8.360 nan 0.000 0.442 71 R N 1.742 122.249 120.500 0.011 0.000 2.445 71 R HA 0.570 4.901 4.340 -0.014 0.000 0.308 71 R C -0.734 175.563 176.300 -0.006 0.000 0.961 71 R CA -0.613 55.478 56.100 -0.016 0.000 0.862 71 R CB 1.190 31.447 30.300 -0.071 0.000 1.144 71 R HN 0.311 nan 8.270 nan 0.000 0.447 72 L N 1.488 122.705 121.223 -0.009 0.000 2.362 72 L HA 0.545 4.877 4.340 -0.014 0.000 0.271 72 L C -0.335 176.512 176.870 -0.038 0.000 1.002 72 L CA -0.783 54.046 54.840 -0.019 0.000 0.818 72 L CB 2.516 44.565 42.059 -0.017 0.000 1.298 72 L HN 0.535 nan 8.230 nan 0.000 0.420 73 T N 3.590 118.117 114.554 -0.046 0.000 2.815 73 T HA 0.503 4.845 4.350 -0.014 0.000 0.289 73 T C -0.309 174.331 174.700 -0.099 0.000 1.000 73 T CA -0.371 61.688 62.100 -0.069 0.000 0.958 73 T CB 1.129 69.977 68.868 -0.035 0.000 0.944 73 T HN 0.162 nan 8.240 nan 0.000 0.442 74 I N 4.627 125.101 120.570 -0.160 0.000 2.312 74 I HA 0.261 4.422 4.170 -0.014 0.000 0.291 74 I C 1.552 177.580 176.117 -0.148 0.000 1.031 74 I CA -0.309 60.889 61.300 -0.170 0.000 1.293 74 I CB 0.589 38.401 38.000 -0.313 0.000 1.403 74 I HN 0.778 nan 8.210 nan 0.000 0.484 75 T N 2.420 116.910 114.554 -0.106 0.000 3.043 75 T HA 0.196 4.537 4.350 -0.014 0.000 0.272 75 T C 0.802 175.453 174.700 -0.082 0.000 0.990 75 T CA -0.305 61.739 62.100 -0.094 0.000 0.897 75 T CB 0.449 69.270 68.868 -0.078 0.000 1.111 75 T HN 0.444 nan 8.240 nan 0.000 0.529 76 R N 2.127 122.581 120.500 -0.077 0.000 2.265 76 R HA 0.355 4.687 4.340 -0.014 0.000 0.319 76 R C -0.752 175.518 176.300 -0.050 0.000 1.006 76 R CA -0.607 55.451 56.100 -0.070 0.000 0.880 76 R CB 0.436 30.680 30.300 -0.093 0.000 1.077 76 R HN 0.167 nan 8.270 nan 0.000 0.454 77 N N 2.730 121.401 118.700 -0.048 0.000 2.416 77 N HA -0.090 4.642 4.740 -0.014 0.000 0.246 77 N C 0.212 175.703 175.510 -0.031 0.000 1.260 77 N CA 0.457 53.483 53.050 -0.041 0.000 0.897 77 N CB 0.274 38.739 38.487 -0.038 0.000 1.110 77 N HN 0.662 nan 8.380 nan 0.000 0.439 78 N N -0.360 118.307 118.700 -0.054 0.000 2.754 78 N HA -0.197 4.535 4.740 -0.014 0.000 0.248 78 N C -1.237 174.160 175.510 -0.189 0.000 1.093 78 N CA 0.281 53.305 53.050 -0.043 0.000 0.699 78 N CB -1.121 37.426 38.487 0.100 0.000 1.016 78 N HN 0.528 nan 8.380 nan 0.000 0.552 79 L N 1.622 122.653 121.223 -0.320 0.000 2.325 79 L HA 0.506 4.838 4.340 -0.014 0.000 0.279 79 L C -0.352 176.080 176.870 -0.730 0.000 1.054 79 L CA -0.381 54.322 54.840 -0.229 0.000 0.804 79 L CB 0.991 43.087 42.059 0.063 0.000 1.200 79 L HN 0.188 nan 8.230 nan 0.000 0.436 80 H N 6.271 125.289 119.070 -0.086 0.000 2.840 80 H HA 0.418 4.964 4.556 -0.016 0.000 0.340 80 H C -1.200 174.017 175.328 -0.185 0.000 1.004 80 H CA -0.601 55.278 56.048 -0.282 0.000 1.288 80 H CB 1.482 31.133 29.762 -0.186 0.000 1.607 80 H HN 0.523 nan 8.280 nan 0.000 0.522 81 L N 2.533 123.640 121.223 -0.193 0.000 2.317 81 L HA 0.473 4.805 4.340 -0.014 0.000 0.281 81 L C 0.163 176.985 176.870 -0.081 0.000 1.024 81 L CA -0.578 54.216 54.840 -0.076 0.000 0.810 81 L CB 1.860 43.919 42.059 0.000 0.000 1.240 81 L HN 0.332 nan 8.230 nan 0.000 0.427 82 K N 1.848 122.215 120.400 -0.056 0.000 2.545 82 K HA 0.513 4.825 4.320 -0.014 0.000 0.252 82 K C -0.287 176.267 176.600 -0.077 0.000 0.948 82 K CA -0.450 55.809 56.287 -0.048 0.000 0.827 82 K CB 1.795 34.312 32.500 0.027 0.000 1.128 82 K HN 0.754 nan 8.250 nan 0.000 0.429 83 G N 1.906 110.681 108.800 -0.042 0.000 2.476 83 G HA2 0.007 3.958 3.960 -0.014 0.000 0.269 83 G HA3 0.007 3.958 3.960 -0.014 0.000 0.269 83 G C 0.457 175.341 174.900 -0.027 0.000 1.195 83 G CA -0.316 44.766 45.100 -0.030 0.000 0.843 83 G HN 0.912 nan 8.290 nan 0.000 0.545 84 E N -0.257 119.931 120.200 -0.020 0.000 2.118 84 E HA -0.070 4.272 4.350 -0.014 0.000 0.195 84 E C 0.913 177.519 176.600 0.010 0.000 0.992 84 E CA 1.300 57.694 56.400 -0.009 0.000 0.804 84 E CB 0.070 29.772 29.700 0.003 0.000 0.741 84 E HN 0.500 nan 8.360 nan 0.000 0.458 85 S N -2.050 113.662 115.700 0.020 0.000 2.543 85 S HA 0.293 4.755 4.470 -0.014 0.000 0.274 85 S C 0.045 174.664 174.600 0.031 0.000 1.149 85 S CA -0.859 57.355 58.200 0.023 0.000 0.866 85 S CB 1.547 64.760 63.200 0.022 0.000 1.111 85 S HN 0.188 nan 8.310 nan 0.000 0.457 86 R N 1.789 122.306 120.500 0.030 0.000 2.091 86 R HA -0.097 4.235 4.340 -0.014 0.000 0.238 86 R C 1.663 177.984 176.300 0.036 0.000 1.136 86 R CA 2.195 58.317 56.100 0.037 0.000 0.959 86 R CB -0.616 29.705 30.300 0.035 0.000 0.856 86 R HN 0.858 nan 8.270 nan 0.000 0.437 87 N N -1.583 117.134 118.700 0.027 0.000 2.223 87 N HA -0.112 4.620 4.740 -0.014 0.000 0.185 87 N C 1.441 176.967 175.510 0.027 0.000 1.016 87 N CA 1.003 54.066 53.050 0.022 0.000 0.863 87 N CB 0.004 38.499 38.487 0.015 0.000 0.983 87 N HN 0.341 nan 8.380 nan 0.000 0.429 88 G N -0.648 108.173 108.800 0.035 0.000 2.781 88 G HA2 0.353 4.305 3.960 -0.014 0.000 0.208 88 G HA3 0.353 4.305 3.960 -0.014 0.000 0.208 88 G C 0.003 174.944 174.900 0.069 0.000 1.099 88 G CA -0.082 45.042 45.100 0.040 0.000 0.776 88 G HN 0.251 nan 8.290 nan 0.000 0.532 89 A N 0.917 123.788 122.820 0.085 0.000 2.280 89 A HA 0.683 4.994 4.320 -0.014 0.000 0.320 89 A C -0.937 176.732 177.584 0.141 0.000 1.366 89 A CA -0.296 51.824 52.037 0.139 0.000 0.938 89 A CB 0.951 20.011 19.000 0.100 0.000 1.157 89 A HN 0.209 nan 8.150 nan 0.000 0.536 90 V N 4.285 124.315 119.914 0.193 0.000 2.540 90 V HA 0.438 4.550 4.120 -0.014 0.000 0.302 90 V C -0.364 175.862 176.094 0.220 0.000 1.035 90 V CA -0.303 62.090 62.300 0.156 0.000 0.873 90 V CB 1.676 33.557 31.823 0.096 0.000 0.992 90 V HN 0.745 nan 8.190 nan 0.000 0.428 91 I N 3.955 124.621 120.570 0.160 0.000 2.355 91 I HA 0.826 4.988 4.170 -0.014 0.000 0.288 91 I C 0.118 176.301 176.117 0.110 0.000 0.999 91 I CA -0.388 61.004 61.300 0.153 0.000 1.163 91 I CB 1.666 39.735 38.000 0.115 0.000 1.316 91 I HN 0.723 nan 8.210 nan 0.000 0.454 92 A N 5.139 128.020 122.820 0.101 0.000 2.486 92 A HA 0.983 5.294 4.320 -0.014 0.000 0.300 92 A C -1.171 176.447 177.584 0.057 0.000 1.048 92 A CA -0.480 51.599 52.037 0.071 0.000 0.696 92 A CB 1.917 20.955 19.000 0.063 0.000 1.278 92 A HN 0.855 nan 8.150 nan 0.000 0.405 93 A N 0.327 123.173 122.820 0.043 0.000 2.594 93 A HA 0.878 5.190 4.320 -0.014 0.000 0.295 93 A C -0.524 177.082 177.584 0.036 0.000 1.071 93 A CA 0.058 52.110 52.037 0.025 0.000 0.685 93 A CB 1.165 20.157 19.000 -0.012 0.000 1.285 93 A HN 2.473 nan 8.150 nan 0.000 0.405 94 A N 1.227 124.073 122.820 0.043 0.000 2.273 94 A HA 0.746 5.058 4.320 -0.014 0.000 0.320 94 A C -0.280 177.331 177.584 0.045 0.000 1.358 94 A CA -0.199 51.897 52.037 0.098 0.000 0.910 94 A CB -0.044 19.037 19.000 0.134 0.000 1.159 94 A HN 1.094 nan 8.150 nan 0.000 0.526 95 T N 1.570 116.127 114.554 0.006 0.000 3.109 95 T HA 0.605 4.946 4.350 -0.014 0.000 0.311 95 T C -0.170 174.416 174.700 -0.189 0.000 1.011 95 T CA -0.036 61.976 62.100 -0.147 0.000 1.026 95 T CB 1.423 70.060 68.868 -0.386 0.000 1.047 95 T HN 1.111 nan 8.240 nan 0.000 0.448 96 A N 1.862 124.478 122.820 -0.341 0.000 2.269 96 A HA 0.899 5.210 4.320 -0.014 0.000 0.319 96 A C 1.607 179.061 177.584 -0.216 0.000 1.110 96 A CA -0.185 51.519 52.037 -0.555 0.000 0.847 96 A CB 0.324 18.556 19.000 -1.281 0.000 1.161 96 A HN 1.060 nan 8.150 nan 0.000 0.497 97 A N 0.692 123.414 122.820 -0.164 0.000 1.948 97 A HA 0.032 4.344 4.320 -0.014 0.000 0.220 97 A C 1.931 179.525 177.584 0.018 0.000 1.177 97 A CA 2.290 54.315 52.037 -0.021 0.000 0.636 97 A CB -1.025 17.951 19.000 -0.040 0.000 0.815 97 A HN 1.513 nan 8.150 nan 0.000 0.449 98 G N -1.349 107.417 108.800 -0.058 0.000 2.920 98 G HA2 0.257 4.208 3.960 -0.014 0.000 0.208 98 G HA3 0.257 4.208 3.960 -0.014 0.000 0.208 98 G C 0.528 175.444 174.900 0.027 0.000 1.159 98 G CA 0.597 45.688 45.100 -0.015 0.000 0.784 98 G HN 0.377 nan 8.290 nan 0.000 0.535 99 T N 1.653 116.244 114.554 0.061 0.000 2.916 99 T HA 0.298 4.639 4.350 -0.014 0.000 0.303 99 T C 0.315 175.162 174.700 0.246 0.000 1.025 99 T CA 0.113 62.316 62.100 0.172 0.000 1.142 99 T CB 1.186 70.178 68.868 0.208 0.000 0.947 99 T HN -0.021 nan 8.240 nan 0.000 0.544 100 L N 3.580 124.890 121.223 0.145 0.000 2.312 100 L HA 0.407 4.738 4.340 -0.014 0.000 0.281 100 L C 0.906 177.766 176.870 -0.015 0.000 1.070 100 L CA -0.809 54.048 54.840 0.029 0.000 0.805 100 L CB 0.821 42.888 42.059 0.013 0.000 1.174 100 L HN 0.538 nan 8.230 nan 0.000 0.434 101 K N 0.941 121.188 120.400 -0.255 0.000 2.273 101 K HA 0.181 4.493 4.320 -0.014 0.000 0.240 101 K C 1.162 177.684 176.600 -0.130 0.000 1.056 101 K CA -0.449 55.641 56.287 -0.328 0.000 0.910 101 K CB 0.542 32.677 32.500 -0.608 0.000 1.196 101 K HN 0.506 nan 8.250 nan 0.000 0.509 102 S N 1.438 117.076 115.700 -0.104 0.000 2.368 102 S HA -0.156 4.306 4.470 -0.014 0.000 0.225 102 S C 1.187 175.751 174.600 -0.060 0.000 1.030 102 S CA 1.926 60.097 58.200 -0.048 0.000 0.999 102 S CB -0.426 62.757 63.200 -0.028 0.000 0.844 102 S HN 0.715 nan 8.310 nan 0.000 0.459 103 D N 0.224 120.568 120.400 -0.094 0.000 2.363 103 D HA 0.196 4.828 4.640 -0.014 0.000 0.226 103 D C 1.245 177.501 176.300 -0.073 0.000 1.020 103 D CA 0.784 54.737 54.000 -0.078 0.000 0.892 103 D CB -0.715 40.032 40.800 -0.088 0.000 0.900 103 D HN 0.413 nan 8.370 nan 0.000 0.531 104 G N -0.180 108.571 108.800 -0.081 0.000 2.176 104 G HA2 -0.274 3.677 3.960 -0.014 0.000 0.253 104 G HA3 -0.274 3.677 3.960 -0.014 0.000 0.253 104 G C 0.376 175.231 174.900 -0.075 0.000 0.979 104 G CA 0.380 45.443 45.100 -0.061 0.000 0.641 104 G HN 0.844 nan 8.290 nan 0.000 0.530 105 S N -0.351 115.279 115.700 -0.118 0.000 2.632 105 S HA 0.710 5.172 4.470 -0.014 0.000 0.271 105 S C 0.219 174.723 174.600 -0.161 0.000 1.260 105 S CA -0.456 57.671 58.200 -0.121 0.000 1.010 105 S CB 1.877 64.999 63.200 -0.129 0.000 0.965 105 S HN 0.434 nan 8.310 nan 0.000 0.534 106 K N 0.594 120.935 120.400 -0.098 0.000 2.237 106 K HA 0.122 4.434 4.320 -0.014 0.000 0.270 106 K C 0.142 176.700 176.600 -0.070 0.000 1.015 106 K CA -0.251 56.005 56.287 -0.052 0.000 0.949 106 K CB 0.446 32.950 32.500 0.007 0.000 0.976 106 K HN 0.778 nan 8.250 nan 0.000 0.472 107 W N 1.415 122.709 121.300 -0.010 0.000 2.388 107 W HA -0.082 4.569 4.660 -0.015 0.000 0.294 107 W C 1.073 177.596 176.519 0.007 0.000 1.212 107 W CA 1.654 58.999 57.345 0.001 0.000 1.271 107 W CB -0.158 29.299 29.460 -0.005 0.000 1.126 107 W HN 0.947 nan 8.180 nan 0.000 0.535 108 G N -0.578 108.350 108.800 0.214 0.000 2.781 108 G HA2 -0.273 3.679 3.960 -0.014 0.000 0.683 108 G HA3 -0.273 3.679 3.960 -0.014 0.000 0.683 108 G C 0.402 175.376 174.900 0.124 0.000 1.390 108 G CA -0.275 44.903 45.100 0.131 0.000 0.850 108 G HN 0.031 nan 8.290 nan 0.000 0.557 109 T N 1.105 115.705 114.554 0.076 0.000 2.674 109 T HA 0.040 4.381 4.350 -0.014 0.000 0.265 109 T C 2.977 177.730 174.700 0.089 0.000 1.039 109 T CA 3.202 65.328 62.100 0.043 0.000 1.150 109 T CB -0.650 68.204 68.868 -0.023 0.000 0.864 109 T HN 1.687 nan 8.240 nan 0.000 0.427 110 A N 1.430 124.323 122.820 0.121 0.000 1.892 110 A HA 0.018 4.329 4.320 -0.014 0.000 0.218 110 A C 2.609 180.269 177.584 0.127 0.000 1.188 110 A CA 2.006 54.046 52.037 0.006 0.000 0.631 110 A CB -1.410 17.642 19.000 0.088 0.000 0.822 110 A HN 0.539 nan 8.150 nan 0.000 0.447 111 G N -0.518 108.407 108.800 0.209 0.000 2.509 111 G HA2 -0.067 3.885 3.960 -0.014 0.000 0.218 111 G HA3 -0.067 3.885 3.960 -0.014 0.000 0.218 111 G C 1.692 176.693 174.900 0.169 0.000 1.124 111 G CA 1.448 46.740 45.100 0.321 0.000 0.776 111 G HN 0.896 nan 8.290 nan 0.000 0.547 112 S N -0.514 115.227 115.700 0.069 0.000 2.527 112 S HA 0.181 4.643 4.470 -0.014 0.000 0.222 112 S C 1.265 175.807 174.600 -0.098 0.000 0.985 112 S CA 0.457 58.601 58.200 -0.094 0.000 0.921 112 S CB -0.059 63.110 63.200 -0.051 0.000 0.772 112 S HN 0.146 nan 8.310 nan 0.000 0.529 113 S N 1.288 116.991 115.700 0.004 0.000 2.549 113 S HA 0.192 4.653 4.470 -0.014 0.000 0.286 113 S C 1.196 175.793 174.600 -0.005 0.000 1.314 113 S CA -0.098 58.136 58.200 0.057 0.000 1.062 113 S CB 0.478 63.790 63.200 0.187 0.000 0.865 113 S HN 0.503 nan 8.310 nan 0.000 0.498 114 T N 5.214 119.776 114.554 0.014 0.000 2.737 114 T HA 0.106 4.448 4.350 -0.014 0.000 0.265 114 T C 0.550 175.259 174.700 0.014 0.000 1.038 114 T CA 1.073 63.174 62.100 0.001 0.000 1.144 114 T CB -0.109 68.777 68.868 0.029 0.000 0.866 114 T HN 0.587 nan 8.240 nan 0.000 0.434 115 I N 1.123 121.718 120.570 0.041 0.000 2.465 115 I HA 0.295 4.457 4.170 -0.014 0.000 0.291 115 I C -0.763 175.365 176.117 0.019 0.000 1.014 115 I CA -0.556 60.755 61.300 0.018 0.000 1.093 115 I CB 2.391 40.410 38.000 0.031 0.000 1.267 115 I HN -0.063 nan 8.210 nan 0.000 0.431 116 T N 6.522 121.052 114.554 -0.039 0.000 2.786 116 T HA 0.505 4.847 4.350 -0.014 0.000 0.283 116 T C -0.217 174.348 174.700 -0.224 0.000 0.992 116 T CA -0.386 61.661 62.100 -0.088 0.000 0.954 116 T CB 1.172 70.021 68.868 -0.031 0.000 0.934 116 T HN 0.168 nan 8.240 nan 0.000 0.440 117 I N 3.322 123.714 120.570 -0.298 0.000 2.306 117 I HA 0.316 4.478 4.170 -0.014 0.000 0.288 117 I C 0.487 176.414 176.117 -0.317 0.000 1.036 117 I CA -0.360 60.726 61.300 -0.356 0.000 1.221 117 I CB 0.844 38.643 38.000 -0.335 0.000 1.385 117 I HN 0.575 nan 8.210 nan 0.000 0.472 118 S N 4.809 120.351 115.700 -0.263 0.000 2.668 118 S HA 0.666 5.128 4.470 -0.014 0.000 0.244 118 S C 0.256 174.759 174.600 -0.162 0.000 1.140 118 S CA -0.422 57.648 58.200 -0.217 0.000 1.134 118 S CB 0.805 63.891 63.200 -0.189 0.000 0.954 118 S HN 0.767 nan 8.310 nan 0.000 0.490 119 A N 1.340 124.066 122.820 -0.156 0.000 2.593 119 A HA 0.754 5.065 4.320 -0.014 0.000 0.290 119 A C -1.118 176.404 177.584 -0.103 0.000 1.126 119 A CA -0.920 51.049 52.037 -0.114 0.000 0.695 119 A CB 1.271 20.216 19.000 -0.091 0.000 1.290 119 A HN 0.255 nan 8.150 nan 0.000 0.414 120 K N 0.652 120.995 120.400 -0.094 0.000 2.095 120 K HA 0.456 4.768 4.320 -0.014 0.000 0.252 120 K C -0.971 175.575 176.600 -0.090 0.000 0.977 120 K CA -0.557 55.660 56.287 -0.118 0.000 0.900 120 K CB 0.546 32.970 32.500 -0.127 0.000 1.060 120 K HN 0.644 nan 8.250 nan 0.000 0.449 121 D N 0.932 121.254 120.400 -0.131 0.000 2.772 121 D HA -0.227 4.405 4.640 -0.014 0.000 0.233 121 D C -0.602 175.660 176.300 -0.062 0.000 1.143 121 D CA 0.925 54.890 54.000 -0.058 0.000 0.700 121 D CB -1.176 39.626 40.800 0.003 0.000 1.076 121 D HN 0.342 nan 8.370 nan 0.000 0.430 122 F N 1.713 121.531 119.950 -0.219 0.000 2.399 122 F HA 0.353 4.867 4.527 -0.021 0.000 0.342 122 F C 0.612 176.265 175.800 -0.246 0.000 1.106 122 F CA -0.213 57.608 58.000 -0.299 0.000 1.196 122 F CB 0.976 39.829 39.000 -0.244 0.000 1.163 122 F HN -0.038 nan 8.300 nan 0.000 0.547 123 S N 4.439 119.444 115.700 -1.158 0.000 2.549 123 S HA 0.913 5.374 4.470 -0.014 0.000 0.280 123 S C -1.202 172.640 174.600 -1.263 0.000 1.109 123 S CA -0.563 57.082 58.200 -0.924 0.000 0.905 123 S CB 1.487 64.557 63.200 -0.216 0.000 1.081 123 S HN 1.166 nan 8.310 nan 0.000 0.477 124 A N 1.597 123.922 122.820 -0.824 0.000 2.371 124 A HA 0.827 5.138 4.320 -0.014 0.000 0.311 124 A C -0.781 176.671 177.584 -0.221 0.000 1.068 124 A CA -0.673 51.157 52.037 -0.345 0.000 0.744 124 A CB 1.826 20.891 19.000 0.108 0.000 1.239 124 A HN 0.910 nan 8.150 nan 0.000 0.435 125 Q N 1.080 120.797 119.800 -0.138 0.000 2.359 125 Q HA 0.548 4.880 4.340 -0.014 0.000 0.274 125 Q C -0.725 175.255 176.000 -0.033 0.000 1.074 125 Q CA -0.297 55.438 55.803 -0.112 0.000 0.810 125 Q CB 1.720 30.369 28.738 -0.149 0.000 1.342 125 Q HN 1.113 nan 8.270 nan 0.000 0.427 126 S N 1.215 116.910 115.700 -0.009 0.000 3.628 126 S HA -0.197 4.264 4.470 -0.014 0.000 0.373 126 S C -0.717 173.901 174.600 0.030 0.000 0.968 126 S CA 1.260 59.467 58.200 0.012 0.000 1.215 126 S CB -1.965 61.236 63.200 0.002 0.000 0.912 126 S HN 0.556 nan 8.310 nan 0.000 0.495 127 L N -3.585 117.672 121.223 0.056 0.000 2.568 127 L HA 0.967 5.298 4.340 -0.014 0.000 0.257 127 L C -0.307 176.618 176.870 0.092 0.000 1.024 127 L CA -0.770 54.113 54.840 0.073 0.000 0.854 127 L CB 1.442 43.546 42.059 0.075 0.000 1.460 127 L HN -0.049 nan 8.230 nan 0.000 0.409 128 T N 1.635 116.242 114.554 0.089 0.000 2.823 128 T HA 0.797 5.139 4.350 -0.014 0.000 0.279 128 T C -0.427 174.330 174.700 0.096 0.000 0.998 128 T CA -0.046 62.103 62.100 0.083 0.000 0.994 128 T CB 1.088 69.991 68.868 0.059 0.000 0.960 128 T HN 0.526 nan 8.240 nan 0.000 0.448 129 I N 3.388 124.013 120.570 0.091 0.000 2.418 129 I HA 0.485 4.647 4.170 -0.014 0.000 0.287 129 I C 0.039 176.193 176.117 0.061 0.000 1.008 129 I CA -0.821 60.534 61.300 0.091 0.000 1.104 129 I CB 1.474 39.541 38.000 0.113 0.000 1.264 129 I HN 0.332 nan 8.210 nan 0.000 0.438 130 R N 3.901 124.436 120.500 0.058 0.000 2.670 130 R HA 0.431 4.763 4.340 -0.014 0.000 0.289 130 R C -0.792 175.541 176.300 0.055 0.000 0.965 130 R CA -1.012 55.113 56.100 0.042 0.000 0.899 130 R CB 2.086 32.407 30.300 0.035 0.000 1.173 130 R HN 0.452 nan 8.270 nan 0.000 0.456 131 N N 1.624 120.361 118.700 0.062 0.000 2.437 131 N HA 0.067 4.799 4.740 -0.014 0.000 0.259 131 N C -0.726 174.866 175.510 0.136 0.000 0.983 131 N CA -0.121 52.986 53.050 0.095 0.000 0.937 131 N CB 1.320 39.873 38.487 0.111 0.000 1.122 131 N HN 0.507 nan 8.380 nan 0.000 0.499 132 D N 2.148 122.629 120.400 0.136 0.000 2.325 132 D HA -0.003 4.629 4.640 -0.014 0.000 0.225 132 D C 0.049 176.465 176.300 0.193 0.000 1.096 132 D CA -0.082 54.002 54.000 0.139 0.000 0.844 132 D CB -0.326 40.529 40.800 0.091 0.000 0.925 132 D HN 0.458 nan 8.370 nan 0.000 0.513 133 F N 2.154 122.167 119.950 0.105 0.000 2.602 133 F HA -0.025 4.493 4.527 -0.014 0.000 0.385 133 F C 0.721 176.614 175.800 0.154 0.000 1.063 133 F CA -0.470 57.596 58.000 0.109 0.000 1.233 133 F CB 0.512 39.578 39.000 0.109 0.000 1.067 133 F HN -0.248 nan 8.300 nan 0.000 0.564 134 D N 7.170 127.223 120.400 -0.578 0.000 2.558 134 D HA -0.053 4.579 4.640 -0.014 0.000 0.221 134 D C 1.135 176.890 176.300 -0.909 0.000 1.143 134 D CA -0.031 53.664 54.000 -0.508 0.000 1.010 134 D CB -0.545 40.081 40.800 -0.290 0.000 1.068 134 D HN 0.600 nan 8.370 nan 0.000 0.511 135 F N 3.907 123.209 119.950 -1.081 0.000 2.065 135 F HA -0.120 4.399 4.527 -0.013 0.000 0.298 135 F C -1.068 174.345 175.800 -0.646 0.000 1.112 135 F CA 1.266 58.727 58.000 -0.897 0.000 1.212 135 F CB -0.867 37.712 39.000 -0.702 0.000 0.975 135 F HN 0.282 nan 8.300 nan 0.000 0.476 136 P HA -0.163 nan 4.420 nan 0.000 0.215 136 P C 1.513 178.576 177.300 -0.395 0.000 1.153 136 P CA 2.407 65.232 63.100 -0.458 0.000 0.853 136 P CB -0.361 31.194 31.700 -0.242 0.000 0.788 137 A N -0.511 122.100 122.820 -0.350 0.000 1.930 137 A HA -0.238 4.073 4.320 -0.014 0.000 0.217 137 A C 2.268 179.683 177.584 -0.281 0.000 1.175 137 A CA 2.094 53.977 52.037 -0.257 0.000 0.627 137 A CB -1.805 17.074 19.000 -0.200 0.000 0.815 137 A HN 0.178 nan 8.150 nan 0.000 0.443 138 N N -0.504 117.958 118.700 -0.396 0.000 2.084 138 N HA -0.192 4.540 4.740 -0.014 0.000 0.190 138 N C 1.868 177.194 175.510 -0.307 0.000 1.030 138 N CA 1.803 54.669 53.050 -0.306 0.000 0.849 138 N CB -0.175 38.138 38.487 -0.291 0.000 1.012 138 N HN 0.385 nan 8.380 nan 0.000 0.423 139 Q N -0.272 119.233 119.800 -0.491 0.000 2.224 139 Q HA 0.023 4.354 4.340 -0.014 0.000 0.203 139 Q C 1.860 177.711 176.000 -0.248 0.000 0.970 139 Q CA 1.222 56.774 55.803 -0.418 0.000 0.865 139 Q CB -0.426 27.948 28.738 -0.606 0.000 0.922 139 Q HN 0.547 nan 8.270 nan 0.000 0.445 140 A N 0.941 123.626 122.820 -0.225 0.000 2.168 140 A HA -0.052 4.259 4.320 -0.014 0.000 0.215 140 A C 0.821 178.341 177.584 -0.107 0.000 1.152 140 A CA 0.233 52.185 52.037 -0.143 0.000 0.716 140 A CB -0.085 18.839 19.000 -0.126 0.000 0.794 140 A HN 0.126 nan 8.150 nan 0.000 0.465 141 K N 1.270 121.602 120.400 -0.113 0.000 2.414 141 K HA 0.240 4.552 4.320 -0.014 0.000 0.272 141 K C 0.040 176.604 176.600 -0.061 0.000 0.993 141 K CA -0.181 56.060 56.287 -0.076 0.000 0.964 141 K CB 0.430 32.890 32.500 -0.068 0.000 0.925 141 K HN 0.229 nan 8.250 nan 0.000 0.487 142 S N 2.226 117.900 115.700 -0.043 0.000 2.568 142 S HA -0.047 4.414 4.470 -0.014 0.000 0.282 142 S C 0.638 175.220 174.600 -0.029 0.000 1.338 142 S CA -0.517 57.663 58.200 -0.033 0.000 1.045 142 S CB 0.506 63.692 63.200 -0.024 0.000 0.873 142 S HN 0.529 nan 8.310 nan 0.000 0.516 143 D N 1.961 122.345 120.400 -0.026 0.000 2.182 143 D HA -0.100 4.531 4.640 -0.014 0.000 0.201 143 D C 1.991 178.283 176.300 -0.013 0.000 0.986 143 D CA 1.575 55.563 54.000 -0.020 0.000 0.847 143 D CB -0.363 40.427 40.800 -0.017 0.000 0.942 143 D HN 0.618 nan 8.370 nan 0.000 0.467 144 S N -0.289 115.404 115.700 -0.012 0.000 2.562 144 S HA -0.085 4.377 4.470 -0.014 0.000 0.221 144 S C 0.698 175.295 174.600 -0.006 0.000 0.975 144 S CA -0.252 57.944 58.200 -0.007 0.000 0.918 144 S CB 0.092 63.288 63.200 -0.006 0.000 0.772 144 S HN -0.028 nan 8.310 nan 0.000 0.531 145 D N 3.062 123.457 120.400 -0.009 0.000 2.363 145 D HA 0.114 4.746 4.640 -0.014 0.000 0.263 145 D C 1.301 177.601 176.300 0.000 0.000 1.258 145 D CA 0.426 54.422 54.000 -0.006 0.000 0.907 145 D CB 1.262 42.055 40.800 -0.012 0.000 1.107 145 D HN 0.349 nan 8.370 nan 0.000 0.495 146 S N 1.788 117.490 115.700 0.004 0.000 2.469 146 S HA -0.186 4.275 4.470 -0.014 0.000 0.238 146 S C 1.704 176.314 174.600 0.017 0.000 0.998 146 S CA 1.012 59.217 58.200 0.009 0.000 0.957 146 S CB -0.252 62.953 63.200 0.009 0.000 0.764 146 S HN 0.410 nan 8.310 nan 0.000 0.514 147 S N 0.359 116.070 115.700 0.018 0.000 2.558 147 S HA 0.180 4.642 4.470 -0.014 0.000 0.217 147 S C 0.536 175.159 174.600 0.039 0.000 0.975 147 S CA -0.383 57.836 58.200 0.031 0.000 0.912 147 S CB -0.461 62.757 63.200 0.029 0.000 0.776 147 S HN 0.545 nan 8.310 nan 0.000 0.526 148 K N 1.736 122.149 120.400 0.022 0.000 2.349 148 K HA 0.291 4.602 4.320 -0.014 0.000 0.289 148 K C -0.799 175.824 176.600 0.038 0.000 1.064 148 K CA -0.329 55.969 56.287 0.019 0.000 0.947 148 K CB 0.184 32.678 32.500 -0.010 0.000 1.007 148 K HN 0.354 nan 8.250 nan 0.000 0.478 149 I N 5.457 126.074 120.570 0.078 0.000 2.395 149 I HA 0.029 4.191 4.170 -0.014 0.000 0.289 149 I C 1.119 177.275 176.117 0.064 0.000 1.023 149 I CA -0.103 61.243 61.300 0.077 0.000 1.350 149 I CB 1.366 39.428 38.000 0.104 0.000 1.409 149 I HN 0.681 nan 8.210 nan 0.000 0.507 150 K N 2.763 123.186 120.400 0.038 0.000 2.166 150 K HA 0.023 4.335 4.320 -0.014 0.000 0.201 150 K C -0.200 176.424 176.600 0.039 0.000 1.052 150 K CA 0.572 56.881 56.287 0.037 0.000 0.969 150 K CB 0.187 32.701 32.500 0.024 0.000 0.761 150 K HN 0.539 nan 8.250 nan 0.000 0.459 151 D N 1.695 122.102 120.400 0.012 0.000 2.517 151 D HA 0.001 4.633 4.640 -0.014 0.000 0.220 151 D C 0.496 176.765 176.300 -0.052 0.000 1.158 151 D CA 0.307 54.298 54.000 -0.014 0.000 0.992 151 D CB 0.975 41.763 40.800 -0.021 0.000 1.058 151 D HN 0.197 nan 8.370 nan 0.000 0.516 152 T N -1.865 112.706 114.554 0.028 0.000 3.107 152 T HA -0.073 4.269 4.350 -0.014 0.000 0.249 152 T C 0.879 175.608 174.700 0.048 0.000 1.096 152 T CA -0.534 61.640 62.100 0.124 0.000 1.012 152 T CB 0.012 69.183 68.868 0.505 0.000 0.977 152 T HN 0.187 nan 8.240 nan 0.000 0.527 153 Q N 1.757 121.515 119.800 -0.070 0.000 2.330 153 Q HA 0.469 4.801 4.340 -0.014 0.000 0.279 153 Q C -0.603 175.331 176.000 -0.111 0.000 1.024 153 Q CA -0.144 55.589 55.803 -0.117 0.000 0.900 153 Q CB 0.468 29.075 28.738 -0.217 0.000 1.221 153 Q HN 0.367 nan 8.270 nan 0.000 0.396 154 A N 3.176 125.981 122.820 -0.025 0.000 2.768 154 A HA 0.439 4.751 4.320 -0.014 0.000 0.299 154 A C -0.746 176.880 177.584 0.071 0.000 1.171 154 A CA -0.765 51.280 52.037 0.013 0.000 0.759 154 A CB 0.849 19.933 19.000 0.139 0.000 1.267 154 A HN 0.457 nan 8.150 nan 0.000 0.421 155 V N 2.193 122.147 119.914 0.066 0.000 2.555 155 V HA 0.355 4.467 4.120 -0.014 0.000 0.286 155 V C 1.502 177.661 176.094 0.108 0.000 1.044 155 V CA 0.764 63.140 62.300 0.127 0.000 1.026 155 V CB 0.953 32.885 31.823 0.181 0.000 0.981 155 V HN 1.030 nan 8.190 nan 0.000 0.480 156 A N 5.005 127.893 122.820 0.114 0.000 1.861 156 A HA 0.285 4.596 4.320 -0.014 0.000 0.212 156 A C 0.559 178.204 177.584 0.100 0.000 1.199 156 A CA 0.935 53.025 52.037 0.089 0.000 0.613 156 A CB 0.013 19.053 19.000 0.066 0.000 0.846 156 A HN 0.632 nan 8.150 nan 0.000 0.446 157 L N -1.611 119.686 121.223 0.124 0.000 2.436 157 L HA 0.623 4.954 4.340 -0.014 0.000 0.268 157 L C -1.735 175.263 176.870 0.213 0.000 0.974 157 L CA -0.815 54.099 54.840 0.123 0.000 0.826 157 L CB 2.060 44.143 42.059 0.041 0.000 1.291 157 L HN 0.271 nan 8.230 nan 0.000 0.406 158 Y N 5.338 125.653 120.300 0.025 0.000 2.326 158 Y HA 0.666 5.209 4.550 -0.011 0.000 0.329 158 Y C -1.433 174.425 175.900 -0.070 0.000 0.973 158 Y CA -1.478 56.609 58.100 -0.022 0.000 1.162 158 Y CB 1.603 40.048 38.460 -0.025 0.000 1.147 158 Y HN 0.344 nan 8.280 nan 0.000 0.456 159 V N 6.914 126.807 119.914 -0.034 0.000 2.350 159 V HA 0.344 4.456 4.120 -0.014 0.000 0.276 159 V C 0.518 176.347 176.094 -0.442 0.000 1.028 159 V CA -0.293 61.898 62.300 -0.182 0.000 0.860 159 V CB 0.909 32.770 31.823 0.065 0.000 0.990 159 V HN 0.891 nan 8.190 nan 0.000 0.453 160 T N 2.049 116.209 114.554 -0.656 0.000 2.810 160 T HA 0.312 4.653 4.350 -0.014 0.000 0.277 160 T C 1.100 175.623 174.700 -0.295 0.000 0.973 160 T CA -0.674 61.026 62.100 -0.665 0.000 0.949 160 T CB 0.860 69.312 68.868 -0.693 0.000 1.075 160 T HN 0.568 nan 8.240 nan 0.000 0.537 161 K N 0.386 120.665 120.400 -0.202 0.000 2.281 161 K HA -0.046 4.265 4.320 -0.014 0.000 0.203 161 K C 2.087 178.614 176.600 -0.122 0.000 1.046 161 K CA 1.094 57.309 56.287 -0.120 0.000 0.938 161 K CB -0.321 32.132 32.500 -0.080 0.000 0.737 161 K HN 0.462 nan 8.250 nan 0.000 0.458 162 S N 0.478 116.087 115.700 -0.152 0.000 2.548 162 S HA 0.058 4.520 4.470 -0.014 0.000 0.215 162 S C 0.848 175.360 174.600 -0.147 0.000 0.976 162 S CA -0.068 58.051 58.200 -0.136 0.000 0.908 162 S CB 0.572 63.694 63.200 -0.131 0.000 0.781 162 S HN 0.401 nan 8.310 nan 0.000 0.519 163 G N 1.636 110.335 108.800 -0.168 0.000 2.327 163 G HA2 0.493 4.445 3.960 -0.014 0.000 0.302 163 G HA3 0.493 4.445 3.960 -0.014 0.000 0.302 163 G C -1.270 173.542 174.900 -0.145 0.000 1.113 163 G CA -0.211 44.797 45.100 -0.153 0.000 0.921 163 G HN 0.120 nan 8.290 nan 0.000 0.425 164 D N 0.960 121.250 120.400 -0.182 0.000 2.575 164 D HA 0.463 5.095 4.640 -0.014 0.000 0.236 164 D C 0.547 176.590 176.300 -0.429 0.000 1.075 164 D CA -0.670 53.179 54.000 -0.251 0.000 0.860 164 D CB 1.167 41.834 40.800 -0.220 0.000 1.475 164 D HN 0.442 nan 8.370 nan 0.000 0.474 165 R N 0.532 120.578 120.500 -0.758 0.000 3.261 165 R HA -0.078 4.253 4.340 -0.014 0.000 0.257 165 R C -1.047 174.794 176.300 -0.765 0.000 1.014 165 R CA 0.716 55.846 56.100 -1.617 0.000 0.681 165 R CB -2.199 27.124 30.300 -1.627 0.000 1.155 165 R HN 0.366 nan 8.270 nan 0.000 0.424 166 A N 1.361 123.997 122.820 -0.307 0.000 2.274 166 A HA 0.542 4.854 4.320 -0.014 0.000 0.309 166 A C -0.945 176.746 177.584 0.179 0.000 1.226 166 A CA -0.404 51.644 52.037 0.019 0.000 0.853 166 A CB 0.633 19.733 19.000 0.168 0.000 1.146 166 A HN 0.326 nan 8.150 nan 0.000 0.518 167 Y N 2.696 122.864 120.300 -0.220 0.000 2.350 167 Y HA 0.671 5.215 4.550 -0.010 0.000 0.338 167 Y C -1.875 173.644 175.900 -0.635 0.000 0.961 167 Y CA -2.128 55.882 58.100 -0.150 0.000 1.100 167 Y CB 1.147 39.680 38.460 0.122 0.000 1.179 167 Y HN 0.521 nan 8.280 nan 0.000 0.454 168 F N 5.683 125.530 119.950 -0.172 0.000 2.496 168 F HA 0.466 4.980 4.527 -0.021 0.000 0.341 168 F C -0.195 175.420 175.800 -0.308 0.000 1.134 168 F CA -0.795 57.046 58.000 -0.266 0.000 0.968 168 F CB 1.649 40.539 39.000 -0.184 0.000 1.205 168 F HN 0.296 nan 8.300 nan 0.000 0.436 169 K N 2.283 122.511 120.400 -0.288 0.000 2.376 169 K HA 0.324 4.636 4.320 -0.014 0.000 0.257 169 K C -0.618 175.937 176.600 -0.074 0.000 0.939 169 K CA -0.509 55.640 56.287 -0.231 0.000 0.809 169 K CB 1.186 33.432 32.500 -0.424 0.000 1.121 169 K HN 0.604 nan 8.250 nan 0.000 0.425 170 D N 1.876 122.276 120.400 -0.001 0.000 2.705 170 D HA -0.147 4.484 4.640 -0.014 0.000 0.240 170 D C -1.560 174.774 176.300 0.057 0.000 1.137 170 D CA 0.644 54.661 54.000 0.028 0.000 0.677 170 D CB -0.639 40.165 40.800 0.007 0.000 1.049 170 D HN 0.131 nan 8.370 nan 0.000 0.427 171 V N 0.570 120.549 119.914 0.109 0.000 2.628 171 V HA 0.672 4.784 4.120 -0.014 0.000 0.306 171 V C 0.365 176.536 176.094 0.130 0.000 1.045 171 V CA -0.361 62.027 62.300 0.148 0.000 0.905 171 V CB 1.999 33.978 31.823 0.259 0.000 0.997 171 V HN 0.279 nan 8.190 nan 0.000 0.436 172 S N 4.769 120.528 115.700 0.100 0.000 2.449 172 S HA 0.735 5.197 4.470 -0.014 0.000 0.310 172 S C -1.015 173.620 174.600 0.058 0.000 1.096 172 S CA -0.588 57.650 58.200 0.063 0.000 1.095 172 S CB 0.508 63.728 63.200 0.034 0.000 1.007 172 S HN 0.546 nan 8.310 nan 0.000 0.474 173 L N 4.905 126.149 121.223 0.034 0.000 2.313 173 L HA 0.663 4.994 4.340 -0.014 0.000 0.283 173 L C -0.949 175.897 176.870 -0.040 0.000 1.013 173 L CA -0.973 53.877 54.840 0.017 0.000 0.816 173 L CB 1.837 43.909 42.059 0.022 0.000 1.236 173 L HN 0.358 nan 8.230 nan 0.000 0.419 174 V N 2.350 122.237 119.914 -0.045 0.000 2.448 174 V HA 0.931 5.042 4.120 -0.014 0.000 0.295 174 V C 0.353 176.377 176.094 -0.117 0.000 1.025 174 V CA -0.216 62.016 62.300 -0.114 0.000 0.859 174 V CB 1.436 33.203 31.823 -0.093 0.000 0.988 174 V HN 0.992 nan 8.190 nan 0.000 0.431 175 G N 2.700 111.359 108.800 -0.235 0.000 2.490 175 G HA2 0.491 4.443 3.960 -0.014 0.000 0.308 175 G HA3 0.491 4.443 3.960 -0.014 0.000 0.308 175 G C -1.299 173.342 174.900 -0.431 0.000 1.286 175 G CA -0.168 44.819 45.100 -0.187 0.000 0.825 175 G HN 0.376 nan 8.290 nan 0.000 0.479 176 Y N -0.421 119.829 120.300 -0.084 0.000 3.131 176 Y HA 0.447 4.989 4.550 -0.014 0.000 0.163 176 Y C 1.349 177.122 175.900 -0.211 0.000 0.886 176 Y CA 0.107 58.082 58.100 -0.207 0.000 1.800 176 Y CB 0.046 38.321 38.460 -0.308 0.000 1.321 176 Y HN 0.452 nan 8.280 nan 0.000 0.387 177 Q N 1.467 121.219 119.800 -0.080 0.000 2.288 177 Q HA 0.140 4.472 4.340 -0.014 0.000 0.258 177 Q C -1.205 174.736 176.000 -0.098 0.000 0.957 177 Q CA 0.064 55.784 55.803 -0.138 0.000 0.919 177 Q CB 0.322 28.935 28.738 -0.210 0.000 1.185 177 Q HN 0.437 nan 8.270 nan 0.000 0.408 178 D N 2.760 123.067 120.400 -0.154 0.000 2.835 178 D HA -0.162 4.470 4.640 -0.014 0.000 0.230 178 D C 0.272 176.676 176.300 0.173 0.000 1.130 178 D CA 1.342 55.212 54.000 -0.215 0.000 0.738 178 D CB -1.295 39.166 40.800 -0.565 0.000 1.090 178 D HN 0.710 nan 8.370 nan 0.000 0.433 179 T N -0.831 113.836 114.554 0.188 0.000 2.665 179 T HA -0.149 4.192 4.350 -0.014 0.000 0.268 179 T C 0.977 175.803 174.700 0.210 0.000 1.035 179 T CA 0.912 63.111 62.100 0.166 0.000 1.151 179 T CB 0.133 69.064 68.868 0.105 0.000 0.862 179 T HN 0.256 nan 8.240 nan 0.000 0.438 180 L N 0.832 122.213 121.223 0.262 0.000 2.349 180 L HA 0.482 4.813 4.340 -0.014 0.000 0.278 180 L C -1.633 175.335 176.870 0.162 0.000 0.996 180 L CA -1.240 53.711 54.840 0.185 0.000 0.825 180 L CB 1.268 43.361 42.059 0.057 0.000 1.243 180 L HN 0.083 nan 8.230 nan 0.000 0.412 181 Y N 6.234 126.471 120.300 -0.104 0.000 2.478 181 Y HA 0.548 5.091 4.550 -0.011 0.000 0.329 181 Y C -0.782 175.065 175.900 -0.089 0.000 0.967 181 Y CA -1.637 56.135 58.100 -0.546 0.000 1.255 181 Y CB 1.181 39.341 38.460 -0.499 0.000 1.103 181 Y HN 0.409 nan 8.280 nan 0.000 0.497 182 V N 2.918 122.931 119.914 0.165 0.000 2.311 182 V HA 0.678 4.789 4.120 -0.014 0.000 0.275 182 V C -0.043 176.151 176.094 0.167 0.000 1.022 182 V CA -0.532 61.884 62.300 0.193 0.000 0.830 182 V CB 0.836 32.818 31.823 0.265 0.000 1.012 182 V HN 0.649 nan 8.190 nan 0.000 0.452 183 S N 3.619 119.362 115.700 0.072 0.000 2.600 183 S HA 0.895 5.356 4.470 -0.014 0.000 0.300 183 S C 0.832 175.439 174.600 0.011 0.000 1.087 183 S CA 0.776 59.007 58.200 0.051 0.000 0.965 183 S CB 1.477 64.669 63.200 -0.013 0.000 1.089 183 S HN 2.391 nan 8.310 nan 0.000 0.496 184 G N 2.770 111.581 108.800 0.019 0.000 2.889 184 G HA2 -0.226 3.726 3.960 -0.014 0.000 0.308 184 G HA3 -0.226 3.726 3.960 -0.014 0.000 0.308 184 G C 0.724 175.630 174.900 0.010 0.000 1.248 184 G CA 0.435 45.531 45.100 -0.006 0.000 0.982 184 G HN 1.426 nan 8.290 nan 0.000 0.571 185 G N 0.276 109.066 108.800 -0.016 0.000 2.666 185 G HA2 0.562 4.513 3.960 -0.014 0.000 0.207 185 G HA3 0.562 4.513 3.960 -0.014 0.000 0.207 185 G C 0.035 174.947 174.900 0.021 0.000 1.481 185 G CA 0.131 45.219 45.100 -0.021 0.000 1.071 185 G HN 0.833 nan 8.290 nan 0.000 0.572 186 R N -0.310 120.176 120.500 -0.023 0.000 2.346 186 R HA 0.546 4.878 4.340 -0.014 0.000 0.311 186 R C -0.358 175.991 176.300 0.082 0.000 0.983 186 R CA -0.239 55.903 56.100 0.071 0.000 0.880 186 R CB 1.737 32.110 30.300 0.122 0.000 1.100 186 R HN 0.605 nan 8.270 nan 0.000 0.453 187 S N 1.671 117.527 115.700 0.260 0.000 2.570 187 S HA 0.695 5.157 4.470 -0.014 0.000 0.286 187 S C -1.220 173.614 174.600 0.389 0.000 1.099 187 S CA -0.864 57.525 58.200 0.315 0.000 0.913 187 S CB 1.573 64.945 63.200 0.286 0.000 1.085 187 S HN 0.452 nan 8.310 nan 0.000 0.480 188 F N 1.774 121.783 119.950 0.099 0.000 2.539 188 F HA 0.743 5.261 4.527 -0.014 0.000 0.318 188 F C -2.262 173.473 175.800 -0.108 0.000 1.135 188 F CA -1.858 56.138 58.000 -0.008 0.000 0.915 188 F CB 1.177 40.091 39.000 -0.142 0.000 1.176 188 F HN 0.631 nan 8.300 nan 0.000 0.440 189 F N 3.885 123.582 119.950 -0.422 0.000 2.449 189 F HA 0.566 5.083 4.527 -0.016 0.000 0.342 189 F C 0.043 175.530 175.800 -0.522 0.000 1.127 189 F CA -0.740 57.085 58.000 -0.291 0.000 0.975 189 F CB 2.032 40.958 39.000 -0.123 0.000 1.146 189 F HN 0.417 nan 8.300 nan 0.000 0.444 190 S N 2.329 117.878 115.700 -0.251 0.000 2.557 190 S HA 0.461 4.923 4.470 -0.014 0.000 0.291 190 S C -0.981 173.616 174.600 -0.005 0.000 1.116 190 S CA -0.699 57.364 58.200 -0.228 0.000 0.992 190 S CB 0.645 63.670 63.200 -0.292 0.000 1.028 190 S HN 0.688 nan 8.310 nan 0.000 0.484 191 D N 1.432 121.862 120.400 0.050 0.000 2.699 191 D HA -0.137 4.495 4.640 -0.014 0.000 0.239 191 D C 0.229 176.577 176.300 0.080 0.000 1.136 191 D CA 1.251 55.291 54.000 0.067 0.000 0.668 191 D CB -2.343 38.488 40.800 0.052 0.000 1.060 191 D HN 0.736 nan 8.370 nan 0.000 0.429 192 c N -1.089 117.580 118.600 0.114 0.000 2.486 192 c HA 0.827 5.388 4.570 -0.014 0.000 0.348 192 c C 0.373 174.525 174.090 0.103 0.000 1.203 192 c CA -1.091 55.321 56.329 0.138 0.000 1.911 192 c CB 2.393 45.046 42.510 0.238 0.000 2.340 192 c HN 0.406 nan 8.230 nan 0.000 0.511 193 R N 1.571 122.120 120.500 0.082 0.000 2.534 193 R HA 0.814 5.145 4.340 -0.014 0.000 0.301 193 R C -1.604 174.711 176.300 0.025 0.000 0.961 193 R CA -0.587 55.535 56.100 0.037 0.000 0.871 193 R CB 1.031 31.335 30.300 0.006 0.000 1.170 193 R HN 0.916 nan 8.270 nan 0.000 0.446 194 I N 3.250 123.821 120.570 0.003 0.000 2.478 194 I HA 0.240 4.402 4.170 -0.014 0.000 0.287 194 I C -0.476 175.550 176.117 -0.151 0.000 1.042 194 I CA -0.656 60.635 61.300 -0.015 0.000 1.067 194 I CB 2.234 40.271 38.000 0.060 0.000 1.233 194 I HN 0.665 nan 8.210 nan 0.000 0.431 195 S N 3.977 119.480 115.700 -0.327 0.000 2.568 195 S HA 1.023 5.485 4.470 -0.014 0.000 0.302 195 S C -0.327 173.696 174.600 -0.962 0.000 1.082 195 S CA -0.457 57.358 58.200 -0.642 0.000 1.009 195 S CB 2.566 65.503 63.200 -0.439 0.000 1.069 195 S HN 1.064 nan 8.310 nan 0.000 0.500 196 G N 0.300 108.290 108.800 -1.351 0.000 2.321 196 G HA2 0.472 4.424 3.960 -0.014 0.000 0.296 196 G HA3 0.472 4.424 3.960 -0.014 0.000 0.296 196 G C -0.127 174.468 174.900 -0.507 0.000 1.287 196 G CA 0.147 44.688 45.100 -0.931 0.000 0.846 196 G HN 1.308 nan 8.290 nan 0.000 0.508 197 T N -3.510 111.060 114.554 0.027 0.000 3.463 197 T HA 0.457 4.799 4.350 -0.014 0.000 0.203 197 T C 0.359 175.264 174.700 0.341 0.000 0.955 197 T CA 0.678 62.931 62.100 0.254 0.000 1.230 197 T CB -0.070 68.808 68.868 0.015 0.000 1.392 197 T HN 0.942 nan 8.240 nan 0.000 0.361 198 V N 3.455 123.434 119.914 0.108 0.000 2.406 198 V HA 0.361 4.473 4.120 -0.014 0.000 0.272 198 V C -0.671 175.461 176.094 0.063 0.000 1.043 198 V CA -0.245 62.122 62.300 0.111 0.000 0.915 198 V CB 0.449 32.282 31.823 0.017 0.000 0.988 198 V HN 0.743 nan 8.190 nan 0.000 0.466 199 D N 3.545 124.004 120.400 0.098 0.000 2.689 199 D HA -0.260 4.372 4.640 -0.014 0.000 0.237 199 D C 0.580 176.842 176.300 -0.064 0.000 1.148 199 D CA 1.271 55.216 54.000 -0.091 0.000 0.656 199 D CB -1.014 39.566 40.800 -0.368 0.000 1.050 199 D HN 0.735 nan 8.370 nan 0.000 0.426 200 F N -1.256 118.696 119.950 0.003 0.000 2.748 200 F HA 0.244 4.763 4.527 -0.013 0.000 0.299 200 F C 0.621 176.463 175.800 0.070 0.000 1.154 200 F CA -0.229 57.778 58.000 0.011 0.000 1.446 200 F CB 0.105 39.089 39.000 -0.028 0.000 1.112 200 F HN 0.031 nan 8.300 nan 0.000 0.584 201 I N 2.380 122.876 120.570 -0.123 0.000 2.439 201 I HA 0.367 4.528 4.170 -0.014 0.000 0.283 201 I C -1.129 175.079 176.117 0.152 0.000 1.023 201 I CA -0.949 60.342 61.300 -0.014 0.000 1.100 201 I CB 1.482 39.309 38.000 -0.287 0.000 1.238 201 I HN 0.077 nan 8.210 nan 0.000 0.445 202 F N 4.121 124.071 119.950 0.001 0.000 2.645 202 F HA 0.992 5.516 4.527 -0.006 0.000 0.310 202 F C -0.108 175.845 175.800 0.255 0.000 1.102 202 F CA -0.909 57.112 58.000 0.035 0.000 0.952 202 F CB 1.531 40.390 39.000 -0.236 0.000 1.326 202 F HN 0.686 nan 8.300 nan 0.000 0.456 203 G N 1.433 110.460 108.800 0.378 0.000 2.353 203 G HA2 0.115 4.066 3.960 -0.014 0.000 0.615 203 G HA3 0.115 4.066 3.960 -0.014 0.000 0.615 203 G C -1.011 174.081 174.900 0.319 0.000 1.280 203 G CA -0.187 45.175 45.100 0.436 0.000 1.000 203 G HN 1.281 nan 8.290 nan 0.000 0.516 204 D N -0.142 120.402 120.400 0.239 0.000 2.395 204 D HA 0.274 4.906 4.640 -0.014 0.000 0.213 204 D C 1.151 177.530 176.300 0.131 0.000 1.110 204 D CA 0.595 54.678 54.000 0.138 0.000 0.835 204 D CB 0.477 41.314 40.800 0.062 0.000 0.965 204 D HN 0.859 nan 8.370 nan 0.000 0.505 205 G N 0.393 109.289 108.800 0.160 0.000 2.634 205 G HA2 0.283 4.235 3.960 -0.014 0.000 0.255 205 G HA3 0.283 4.235 3.960 -0.014 0.000 0.255 205 G C -0.204 174.806 174.900 0.184 0.000 1.205 205 G CA -0.246 44.944 45.100 0.150 0.000 0.884 205 G HN 0.027 nan 8.290 nan 0.000 0.549 206 T N 0.850 115.512 114.554 0.179 0.000 2.747 206 T HA 0.533 4.874 4.350 -0.014 0.000 0.301 206 T C 0.200 175.038 174.700 0.229 0.000 0.952 206 T CA 0.133 62.364 62.100 0.218 0.000 0.983 206 T CB 0.815 69.806 68.868 0.206 0.000 0.930 206 T HN 0.802 nan 8.240 nan 0.000 0.494 207 A N 4.084 127.058 122.820 0.257 0.000 2.332 207 A HA 0.710 5.021 4.320 -0.014 0.000 0.300 207 A C -0.788 176.874 177.584 0.130 0.000 1.153 207 A CA -0.737 51.427 52.037 0.211 0.000 0.764 207 A CB 0.724 19.894 19.000 0.284 0.000 1.174 207 A HN 0.697 nan 8.150 nan 0.000 0.467 208 L N 2.813 124.087 121.223 0.084 0.000 2.307 208 L HA 0.843 5.175 4.340 -0.014 0.000 0.284 208 L C -1.619 175.282 176.870 0.053 0.000 1.023 208 L CA -0.364 54.592 54.840 0.193 0.000 0.810 208 L CB 0.573 42.801 42.059 0.283 0.000 1.231 208 L HN 0.507 nan 8.230 nan 0.000 0.423 209 F N 4.633 124.776 119.950 0.322 0.000 2.477 209 F HA 0.479 5.002 4.527 -0.006 0.000 0.335 209 F C 0.201 176.125 175.800 0.206 0.000 1.130 209 F CA -0.546 57.594 58.000 0.233 0.000 0.948 209 F CB 1.339 40.407 39.000 0.114 0.000 1.154 209 F HN 0.519 nan 8.300 nan 0.000 0.439 210 N N 2.570 121.443 118.700 0.289 0.000 2.296 210 N HA 0.191 4.922 4.740 -0.014 0.000 0.294 210 N C -0.442 175.179 175.510 0.185 0.000 1.033 210 N CA -0.332 52.877 53.050 0.264 0.000 0.839 210 N CB 1.193 39.890 38.487 0.350 0.000 1.395 210 N HN 0.741 nan 8.380 nan 0.000 0.479 211 N N 1.762 120.571 118.700 0.182 0.000 2.725 211 N HA -0.177 4.554 4.740 -0.014 0.000 0.251 211 N C -1.568 174.021 175.510 0.131 0.000 1.031 211 N CA 0.477 53.614 53.050 0.144 0.000 0.720 211 N CB -1.602 36.960 38.487 0.125 0.000 0.930 211 N HN 0.426 nan 8.380 nan 0.000 0.543 212 c N 0.239 118.930 118.600 0.151 0.000 2.397 212 c HA 0.492 5.053 4.570 -0.014 0.000 0.343 212 c C 0.066 174.212 174.090 0.094 0.000 1.188 212 c CA -0.899 55.513 56.329 0.138 0.000 1.992 212 c CB 1.317 43.945 42.510 0.198 0.000 2.358 212 c HN 0.399 nan 8.230 nan 0.000 0.518 213 D N 2.338 122.777 120.400 0.065 0.000 2.317 213 D HA 0.428 5.059 4.640 -0.014 0.000 0.234 213 D C -0.596 175.721 176.300 0.027 0.000 1.112 213 D CA 0.156 54.175 54.000 0.032 0.000 0.840 213 D CB 0.882 41.687 40.800 0.007 0.000 1.078 213 D HN 0.352 nan 8.370 nan 0.000 0.486 214 L N 2.487 123.734 121.223 0.039 0.000 2.262 214 L HA 0.384 4.715 4.340 -0.014 0.000 0.288 214 L C -0.374 176.525 176.870 0.049 0.000 1.035 214 L CA -0.939 53.961 54.840 0.099 0.000 0.820 214 L CB 1.302 43.437 42.059 0.127 0.000 1.204 214 L HN -0.025 nan 8.230 nan 0.000 0.424 215 V N 2.180 122.038 119.914 -0.092 0.000 2.328 215 V HA 0.223 4.334 4.120 -0.014 0.000 0.278 215 V C 0.453 176.286 176.094 -0.435 0.000 1.021 215 V CA -0.314 61.839 62.300 -0.245 0.000 0.838 215 V CB 1.327 33.001 31.823 -0.249 0.000 0.999 215 V HN 0.729 nan 8.190 nan 0.000 0.447 216 S N 5.930 121.369 115.700 -0.436 0.000 2.499 216 S HA 0.457 4.918 4.470 -0.014 0.000 0.275 216 S C 0.263 174.561 174.600 -0.503 0.000 1.257 216 S CA -0.548 57.231 58.200 -0.702 0.000 1.050 216 S CB 0.396 62.832 63.200 -1.274 0.000 0.937 216 S HN 0.644 nan 8.310 nan 0.000 0.490 217 R N 1.413 121.758 120.500 -0.259 0.000 2.536 217 R HA 0.286 4.617 4.340 -0.014 0.000 0.279 217 R C -0.590 175.817 176.300 0.178 0.000 1.001 217 R CA -0.764 55.309 56.100 -0.045 0.000 1.027 217 R CB 0.726 30.986 30.300 -0.065 0.000 1.096 217 R HN 0.621 nan 8.270 nan 0.000 0.502 218 Y N 1.900 122.242 120.300 0.069 0.000 2.526 218 Y HA 0.001 4.542 4.550 -0.014 0.000 0.330 218 Y C -0.235 175.756 175.900 0.151 0.000 1.156 218 Y CA 0.186 58.349 58.100 0.103 0.000 1.419 218 Y CB 0.596 39.089 38.460 0.054 0.000 1.250 218 Y HN 0.226 nan 8.280 nan 0.000 0.540 219 R N 5.852 126.006 120.500 -0.577 0.000 2.272 219 R HA 0.371 4.703 4.340 -0.014 0.000 0.323 219 R C 0.526 176.348 176.300 -0.798 0.000 1.002 219 R CA 0.211 56.039 56.100 -0.452 0.000 0.900 219 R CB 1.067 31.255 30.300 -0.187 0.000 1.151 219 R HN 0.920 nan 8.270 nan 0.000 0.507 220 A N 2.340 124.772 122.820 -0.648 0.000 2.067 220 A HA -0.152 4.159 4.320 -0.014 0.000 0.219 220 A C 1.249 178.729 177.584 -0.174 0.000 1.158 220 A CA 1.477 53.313 52.037 -0.335 0.000 0.661 220 A CB -0.030 18.966 19.000 -0.008 0.000 0.801 220 A HN 0.659 nan 8.150 nan 0.000 0.452 221 D N -0.866 119.438 120.400 -0.160 0.000 2.339 221 D HA 0.093 4.724 4.640 -0.014 0.000 0.217 221 D C -0.009 176.245 176.300 -0.077 0.000 1.050 221 D CA 0.106 54.044 54.000 -0.105 0.000 0.856 221 D CB -0.123 40.605 40.800 -0.120 0.000 0.922 221 D HN 0.135 nan 8.370 nan 0.000 0.518 222 V N 1.220 121.074 119.914 -0.101 0.000 2.398 222 V HA 0.169 4.280 4.120 -0.014 0.000 0.286 222 V C 0.443 176.500 176.094 -0.062 0.000 1.026 222 V CA -0.981 61.274 62.300 -0.075 0.000 0.868 222 V CB 1.668 33.434 31.823 -0.094 0.000 0.982 222 V HN -0.070 nan 8.190 nan 0.000 0.443 223 K N 2.259 122.636 120.400 -0.039 0.000 2.355 223 K HA 0.188 4.499 4.320 -0.014 0.000 0.270 223 K C 0.599 177.187 176.600 -0.021 0.000 1.003 223 K CA 0.023 56.295 56.287 -0.024 0.000 0.957 223 K CB 0.529 33.018 32.500 -0.019 0.000 0.939 223 K HN 0.671 nan 8.250 nan 0.000 0.482 224 S N 1.096 116.792 115.700 -0.006 0.000 2.575 224 S HA 0.127 4.589 4.470 -0.014 0.000 0.295 224 S C 1.174 175.766 174.600 -0.014 0.000 1.267 224 S CA 1.145 59.346 58.200 0.000 0.000 1.074 224 S CB -0.464 62.742 63.200 0.010 0.000 0.829 224 S HN 0.839 nan 8.310 nan 0.000 0.497 225 G N 4.443 113.231 108.800 -0.021 0.000 2.213 225 G HA2 -0.208 3.743 3.960 -0.014 0.000 0.236 225 G HA3 -0.208 3.743 3.960 -0.014 0.000 0.236 225 G C 0.035 174.899 174.900 -0.061 0.000 0.991 225 G CA -0.035 45.042 45.100 -0.039 0.000 0.629 225 G HN 0.672 nan 8.290 nan 0.000 0.517 226 N N -0.191 118.475 118.700 -0.056 0.000 2.482 226 N HA 0.571 5.302 4.740 -0.014 0.000 0.279 226 N C 0.300 175.753 175.510 -0.096 0.000 1.182 226 N CA -0.368 52.641 53.050 -0.068 0.000 0.969 226 N CB 1.575 40.035 38.487 -0.045 0.000 1.201 226 N HN 0.096 nan 8.380 nan 0.000 0.523 227 V N 1.158 121.004 119.914 -0.113 0.000 2.555 227 V HA 0.052 4.164 4.120 -0.014 0.000 0.286 227 V C 1.247 177.177 176.094 -0.273 0.000 1.044 227 V CA 0.227 62.417 62.300 -0.182 0.000 1.026 227 V CB 1.097 32.824 31.823 -0.160 0.000 0.981 227 V HN 0.694 nan 8.190 nan 0.000 0.480 228 S N 2.677 118.128 115.700 -0.415 0.000 2.425 228 S HA 0.336 4.797 4.470 -0.014 0.000 0.225 228 S C 0.698 174.810 174.600 -0.815 0.000 1.024 228 S CA 0.830 58.726 58.200 -0.507 0.000 0.951 228 S CB 0.329 63.307 63.200 -0.371 0.000 0.796 228 S HN 1.114 nan 8.310 nan 0.000 0.498 229 G N -0.626 107.366 108.800 -1.347 0.000 2.341 229 G HA2 0.523 4.475 3.960 -0.014 0.000 0.299 229 G HA3 0.523 4.475 3.960 -0.014 0.000 0.299 229 G C -2.396 171.809 174.900 -1.159 0.000 1.274 229 G CA -0.820 43.616 45.100 -1.107 0.000 0.853 229 G HN 0.150 nan 8.290 nan 0.000 0.493 230 Y N -0.476 119.831 120.300 0.012 0.000 2.396 230 Y HA 0.471 5.012 4.550 -0.014 0.000 0.332 230 Y C 0.852 176.725 175.900 -0.044 0.000 1.034 230 Y CA -0.844 57.262 58.100 0.010 0.000 1.057 230 Y CB 1.965 40.410 38.460 -0.025 0.000 1.220 230 Y HN 0.367 nan 8.280 nan 0.000 0.440 231 L N 1.392 122.586 121.223 -0.048 0.000 2.046 231 L HA -0.067 4.264 4.340 -0.014 0.000 0.208 231 L C 1.189 177.712 176.870 -0.578 0.000 1.077 231 L CA 1.839 56.341 54.840 -0.564 0.000 0.747 231 L CB -0.453 41.408 42.059 -0.330 0.000 0.896 231 L HN 0.822 nan 8.230 nan 0.000 0.432 232 T N -3.655 110.783 114.554 -0.192 0.000 2.906 232 T HA 0.790 5.131 4.350 -0.014 0.000 0.295 232 T C -0.581 174.143 174.700 0.039 0.000 1.061 232 T CA -0.333 61.711 62.100 -0.093 0.000 1.000 232 T CB 2.302 71.146 68.868 -0.041 0.000 1.103 232 T HN 0.076 nan 8.240 nan 0.000 0.486 233 A N 3.089 125.980 122.820 0.118 0.000 3.127 233 A HA 0.633 4.944 4.320 -0.014 0.000 0.319 233 A C -2.972 174.835 177.584 0.371 0.000 1.104 233 A CA -1.427 50.735 52.037 0.209 0.000 0.802 233 A CB 0.560 19.594 19.000 0.057 0.000 1.193 233 A HN 0.678 nan 8.150 nan 0.000 0.479 234 P HA 0.186 nan 4.420 nan 0.000 0.275 234 P C 0.417 177.889 177.300 0.286 0.000 1.227 234 P CA 0.079 63.375 63.100 0.327 0.000 0.781 234 P CB 1.521 33.401 31.700 0.299 0.000 0.906 235 S N -0.571 115.259 115.700 0.216 0.000 2.754 235 S HA 0.109 4.570 4.470 -0.014 0.000 0.247 235 S C 0.244 174.795 174.600 -0.082 0.000 1.031 235 S CA -0.399 57.778 58.200 -0.039 0.000 1.014 235 S CB -1.073 62.011 63.200 -0.194 0.000 0.918 235 S HN 0.371 nan 8.310 nan 0.000 0.519 236 T N 4.060 118.619 114.554 0.009 0.000 2.849 236 T HA -0.010 4.331 4.350 -0.014 0.000 0.289 236 T C 0.281 174.949 174.700 -0.053 0.000 1.010 236 T CA 0.060 62.169 62.100 0.015 0.000 1.161 236 T CB -0.101 68.807 68.868 0.067 0.000 0.989 236 T HN 0.542 nan 8.240 nan 0.000 0.523 237 N N 1.901 120.575 118.700 -0.043 0.000 2.454 237 N HA -0.047 4.685 4.740 -0.014 0.000 0.254 237 N C 1.230 176.714 175.510 -0.043 0.000 1.228 237 N CA -0.479 52.538 53.050 -0.055 0.000 0.900 237 N CB 0.423 38.890 38.487 -0.034 0.000 1.089 237 N HN 0.539 nan 8.380 nan 0.000 0.449 238 I N 3.563 124.103 120.570 -0.049 0.000 2.423 238 I HA -0.220 3.941 4.170 -0.014 0.000 0.254 238 I C 1.342 177.440 176.117 -0.031 0.000 1.151 238 I CA 1.328 62.605 61.300 -0.038 0.000 1.421 238 I CB -0.318 37.663 38.000 -0.031 0.000 1.079 238 I HN 0.561 nan 8.210 nan 0.000 0.431 239 N N 0.371 119.055 118.700 -0.028 0.000 2.398 239 N HA -0.039 4.693 4.740 -0.014 0.000 0.188 239 N C 0.531 176.021 175.510 -0.033 0.000 1.122 239 N CA 0.164 53.197 53.050 -0.029 0.000 0.866 239 N CB -0.058 38.416 38.487 -0.020 0.000 0.970 239 N HN 0.560 nan 8.380 nan 0.000 0.462 240 Q N 1.024 120.808 119.800 -0.027 0.000 2.274 240 Q HA 0.099 4.430 4.340 -0.014 0.000 0.256 240 Q C 0.871 176.838 176.000 -0.056 0.000 0.927 240 Q CA -0.315 55.477 55.803 -0.018 0.000 0.939 240 Q CB 1.347 30.095 28.738 0.016 0.000 1.201 240 Q HN -0.182 nan 8.270 nan 0.000 0.426 241 K N 3.132 123.458 120.400 -0.123 0.000 2.057 241 K HA -0.073 4.239 4.320 -0.014 0.000 0.206 241 K C -0.669 175.634 176.600 -0.495 0.000 1.050 241 K CA 1.541 57.607 56.287 -0.369 0.000 0.935 241 K CB 0.239 32.429 32.500 -0.517 0.000 0.715 241 K HN 0.545 nan 8.250 nan 0.000 0.439 242 Y N -1.362 118.980 120.300 0.071 0.000 2.425 242 Y HA 0.504 5.033 4.550 -0.036 0.000 0.344 242 Y C 0.810 176.799 175.900 0.148 0.000 0.969 242 Y CA -0.710 57.469 58.100 0.132 0.000 1.052 242 Y CB 2.287 40.819 38.460 0.120 0.000 1.215 242 Y HN 0.023 nan 8.280 nan 0.000 0.451 243 G N 1.825 110.832 108.800 0.344 0.000 3.157 243 G HA2 0.399 4.351 3.960 -0.014 0.000 0.206 243 G HA3 0.399 4.351 3.960 -0.014 0.000 0.206 243 G C -0.772 174.310 174.900 0.303 0.000 1.903 243 G CA -0.761 44.504 45.100 0.274 0.000 0.771 243 G HN 0.435 nan 8.290 nan 0.000 0.750 244 L N 1.526 122.919 121.223 0.282 0.000 2.260 244 L HA 0.540 4.871 4.340 -0.014 0.000 0.289 244 L C -0.913 176.097 176.870 0.233 0.000 1.057 244 L CA -0.595 54.423 54.840 0.296 0.000 0.811 244 L CB 1.576 43.762 42.059 0.211 0.000 1.184 244 L HN -0.043 nan 8.230 nan 0.000 0.429 245 V N 5.241 125.338 119.914 0.305 0.000 2.407 245 V HA 0.439 4.550 4.120 -0.014 0.000 0.291 245 V C -0.180 176.068 176.094 0.257 0.000 1.018 245 V CA -0.330 62.104 62.300 0.223 0.000 0.842 245 V CB 1.991 33.983 31.823 0.281 0.000 0.996 245 V HN 0.489 nan 8.190 nan 0.000 0.426 246 I N 4.756 125.352 120.570 0.044 0.000 2.355 246 I HA 0.592 4.753 4.170 -0.014 0.000 0.288 246 I C 0.311 176.525 176.117 0.161 0.000 0.999 246 I CA 0.083 61.430 61.300 0.078 0.000 1.163 246 I CB 2.186 40.029 38.000 -0.262 0.000 1.316 246 I HN 0.773 nan 8.210 nan 0.000 0.454 247 T N 0.941 115.637 114.554 0.237 0.000 2.876 247 T HA 0.470 4.811 4.350 -0.014 0.000 0.289 247 T C 0.008 174.847 174.700 0.232 0.000 1.014 247 T CA -0.879 61.362 62.100 0.234 0.000 0.986 247 T CB 1.022 70.024 68.868 0.224 0.000 1.021 247 T HN 0.658 nan 8.240 nan 0.000 0.458 248 N N 0.672 119.509 118.700 0.229 0.000 2.727 248 N HA -0.160 4.572 4.740 -0.014 0.000 0.249 248 N C -0.282 175.344 175.510 0.193 0.000 1.048 248 N CA 0.821 53.999 53.050 0.214 0.000 0.714 248 N CB -1.090 37.510 38.487 0.187 0.000 0.959 248 N HN 0.624 nan 8.380 nan 0.000 0.544 249 S N -0.462 115.349 115.700 0.184 0.000 2.798 249 S HA 0.677 5.139 4.470 -0.014 0.000 0.312 249 S C 0.052 174.698 174.600 0.077 0.000 1.122 249 S CA -0.832 57.454 58.200 0.143 0.000 0.949 249 S CB 1.832 65.130 63.200 0.164 0.000 1.235 249 S HN 0.211 nan 8.310 nan 0.000 0.552 250 R N 0.696 121.224 120.500 0.045 0.000 2.502 250 R HA 0.525 4.857 4.340 -0.014 0.000 0.300 250 R C -1.740 174.549 176.300 -0.017 0.000 0.984 250 R CA -0.426 55.662 56.100 -0.020 0.000 0.882 250 R CB 1.714 32.009 30.300 -0.008 0.000 1.180 250 R HN 0.286 nan 8.270 nan 0.000 0.444 251 V N 6.063 125.940 119.914 -0.061 0.000 2.334 251 V HA 0.376 4.488 4.120 -0.014 0.000 0.267 251 V C 0.164 176.281 176.094 0.038 0.000 1.040 251 V CA -0.364 61.916 62.300 -0.033 0.000 0.866 251 V CB 0.452 32.178 31.823 -0.162 0.000 1.019 251 V HN 0.610 nan 8.190 nan 0.000 0.468 252 I N 3.054 123.626 120.570 0.002 0.000 2.892 252 I HA 0.792 4.953 4.170 -0.014 0.000 0.306 252 I C -0.053 175.812 176.117 -0.420 0.000 1.078 252 I CA -1.359 59.873 61.300 -0.114 0.000 1.032 252 I CB 2.164 40.099 38.000 -0.108 0.000 1.229 252 I HN 0.601 nan 8.210 nan 0.000 0.435 253 R N 2.334 122.487 120.500 -0.579 0.000 2.410 253 R HA 0.291 4.622 4.340 -0.014 0.000 0.288 253 R C 0.501 176.605 176.300 -0.327 0.000 1.051 253 R CA -0.534 55.183 56.100 -0.638 0.000 1.021 253 R CB 1.605 31.573 30.300 -0.553 0.000 1.032 253 R HN 0.895 nan 8.270 nan 0.000 0.481 254 E N 1.735 121.769 120.200 -0.276 0.000 2.153 254 E HA -0.138 4.204 4.350 -0.014 0.000 0.194 254 E C -0.305 176.219 176.600 -0.128 0.000 0.988 254 E CA 1.265 57.560 56.400 -0.175 0.000 0.811 254 E CB 0.276 29.894 29.700 -0.138 0.000 0.746 254 E HN 0.747 nan 8.360 nan 0.000 0.466 255 S N -1.378 114.250 115.700 -0.120 0.000 2.615 255 S HA 0.166 4.628 4.470 -0.014 0.000 0.269 255 S C -0.267 174.276 174.600 -0.095 0.000 1.161 255 S CA -0.686 57.451 58.200 -0.106 0.000 0.817 255 S CB 1.173 64.301 63.200 -0.121 0.000 1.131 255 S HN -0.021 nan 8.310 nan 0.000 0.467 256 D N 1.366 121.714 120.400 -0.086 0.000 2.350 256 D HA 0.048 4.680 4.640 -0.014 0.000 0.216 256 D C 1.368 177.640 176.300 -0.046 0.000 0.968 256 D CA 0.993 54.956 54.000 -0.061 0.000 0.894 256 D CB -0.226 40.541 40.800 -0.055 0.000 0.909 256 D HN 0.474 nan 8.370 nan 0.000 0.520 257 S N -0.258 115.391 115.700 -0.085 0.000 2.527 257 S HA 0.014 4.475 4.470 -0.014 0.000 0.222 257 S C 0.978 175.671 174.600 0.155 0.000 0.985 257 S CA -0.099 58.059 58.200 -0.071 0.000 0.921 257 S CB 0.540 63.488 63.200 -0.420 0.000 0.772 257 S HN 0.031 nan 8.310 nan 0.000 0.529 258 V N 4.753 124.754 119.914 0.145 0.000 2.421 258 V HA 0.140 4.252 4.120 -0.014 0.000 0.271 258 V C -2.226 173.959 176.094 0.151 0.000 1.031 258 V CA -1.606 60.814 62.300 0.199 0.000 1.032 258 V CB -0.113 31.751 31.823 0.068 0.000 1.009 258 V HN 0.153 nan 8.190 nan 0.000 0.477 259 P HA 0.219 nan 4.420 nan 0.000 0.272 259 P C -0.156 177.232 177.300 0.146 0.000 1.230 259 P CA -0.168 63.010 63.100 0.130 0.000 0.788 259 P CB 0.532 32.297 31.700 0.109 0.000 0.949 260 A N 2.360 125.243 122.820 0.104 0.000 2.498 260 A HA 0.071 4.383 4.320 -0.014 0.000 0.239 260 A C 0.421 178.072 177.584 0.111 0.000 1.068 260 A CA 0.052 52.150 52.037 0.101 0.000 0.766 260 A CB -0.792 18.244 19.000 0.059 0.000 1.003 260 A HN 0.663 nan 8.150 nan 0.000 0.497 261 K N 0.426 120.903 120.400 0.128 0.000 3.096 261 K HA -0.182 4.129 4.320 -0.014 0.000 0.266 261 K C 0.796 177.550 176.600 0.257 0.000 1.043 261 K CA 0.881 57.281 56.287 0.187 0.000 0.758 261 K CB -1.919 30.645 32.500 0.107 0.000 1.260 261 K HN 1.005 nan 8.250 nan 0.000 0.481 262 S N -1.676 114.193 115.700 0.282 0.000 2.526 262 S HA 0.111 4.572 4.470 -0.014 0.000 0.220 262 S C 0.094 174.777 174.600 0.138 0.000 1.017 262 S CA -0.297 58.024 58.200 0.203 0.000 0.930 262 S CB 0.222 63.529 63.200 0.178 0.000 0.856 262 S HN 0.319 nan 8.310 nan 0.000 0.497 263 Y N 1.522 121.865 120.300 0.072 0.000 2.376 263 Y HA 0.677 5.218 4.550 -0.015 0.000 0.340 263 Y C 0.682 176.103 175.900 -0.797 0.000 0.965 263 Y CA -0.734 57.237 58.100 -0.215 0.000 1.078 263 Y CB 1.754 40.153 38.460 -0.102 0.000 1.193 263 Y HN 0.235 nan 8.280 nan 0.000 0.452 264 G N 3.010 111.404 108.800 -0.677 0.000 2.420 264 G HA2 0.350 4.302 3.960 -0.014 0.000 0.284 264 G HA3 0.350 4.302 3.960 -0.014 0.000 0.284 264 G C 0.551 175.190 174.900 -0.434 0.000 1.177 264 G CA -0.526 44.114 45.100 -0.766 0.000 0.841 264 G HN 0.853 nan 8.290 nan 0.000 0.527 265 L N 1.040 121.858 121.223 -0.676 0.000 2.201 265 L HA 0.199 4.531 4.340 -0.014 0.000 0.212 265 L C 1.491 178.195 176.870 -0.276 0.000 1.105 265 L CA 1.245 55.654 54.840 -0.718 0.000 0.775 265 L CB -0.352 40.752 42.059 -1.592 0.000 0.913 265 L HN 0.691 nan 8.230 nan 0.000 0.440 266 G N -0.315 108.428 108.800 -0.095 0.000 2.519 266 G HA2 0.513 4.464 3.960 -0.014 0.000 0.292 266 G HA3 0.513 4.464 3.960 -0.014 0.000 0.292 266 G C -1.644 173.300 174.900 0.074 0.000 1.507 266 G CA -0.853 44.263 45.100 0.027 0.000 0.806 266 G HN 0.113 nan 8.290 nan 0.000 0.523 267 R N 0.060 120.633 120.500 0.121 0.000 2.771 267 R HA 0.745 5.076 4.340 -0.014 0.000 0.274 267 R C -3.116 173.464 176.300 0.467 0.000 0.987 267 R CA -2.003 54.268 56.100 0.284 0.000 0.908 267 R CB 2.676 32.952 30.300 -0.039 0.000 1.213 267 R HN 0.308 nan 8.270 nan 0.000 0.468 268 P HA 0.049 nan 4.420 nan 0.000 0.284 268 P C -1.327 176.229 177.300 0.427 0.000 1.343 268 P CA -0.219 63.157 63.100 0.460 0.000 0.826 268 P CB 0.204 32.113 31.700 0.349 0.000 0.956 269 W N 6.199 127.569 121.300 0.118 0.000 2.358 269 W HA 0.185 4.835 4.660 -0.017 0.000 0.307 269 W C -0.476 175.983 176.519 -0.100 0.000 1.203 269 W CA -0.177 57.200 57.345 0.054 0.000 1.279 269 W CB -0.061 29.438 29.460 0.066 0.000 1.264 269 W HN 0.451 nan 8.180 nan 0.000 0.474 270 H N 7.815 126.650 119.070 -0.390 0.000 2.683 270 H HA 0.227 4.777 4.556 -0.010 0.000 0.270 270 H C -2.045 172.917 175.328 -0.609 0.000 1.201 270 H CA -1.680 53.988 56.048 -0.633 0.000 1.277 270 H CB 0.662 29.804 29.762 -1.033 0.000 1.400 270 H HN 0.050 nan 8.280 nan 0.000 0.504 271 P HA -0.036 nan 4.420 nan 0.000 0.268 271 P C 0.085 177.238 177.300 -0.245 0.000 1.205 271 P CA -0.039 62.581 63.100 -0.801 0.000 0.771 271 P CB 0.603 31.655 31.700 -1.081 0.000 0.858 272 T N 3.113 117.646 114.554 -0.035 0.000 2.871 272 T HA 0.214 4.555 4.350 -0.014 0.000 0.296 272 T C 0.187 174.814 174.700 -0.122 0.000 0.998 272 T CA 0.604 62.701 62.100 -0.005 0.000 1.162 272 T CB -0.598 68.311 68.868 0.068 0.000 0.947 272 T HN 0.348 nan 8.240 nan 0.000 0.536 273 T N 2.905 117.313 114.554 -0.244 0.000 2.952 273 T HA 0.330 4.672 4.350 -0.014 0.000 0.305 273 T C -0.027 174.242 174.700 -0.718 0.000 1.064 273 T CA -0.745 61.052 62.100 -0.505 0.000 1.008 273 T CB 1.627 70.079 68.868 -0.692 0.000 1.078 273 T HN 0.451 nan 8.240 nan 0.000 0.459 274 T N 3.767 117.964 114.554 -0.595 0.000 2.737 274 T HA 0.503 4.844 4.350 -0.014 0.000 0.296 274 T C -0.569 173.730 174.700 -0.669 0.000 0.922 274 T CA 0.077 61.900 62.100 -0.462 0.000 1.079 274 T CB -0.339 68.391 68.868 -0.229 0.000 0.892 274 T HN 0.278 nan 8.240 nan 0.000 0.514 275 F N 0.642 120.485 119.950 -0.178 0.000 2.613 275 F HA 0.356 4.873 4.527 -0.016 0.000 0.342 275 F C 1.931 177.722 175.800 -0.016 0.000 1.066 275 F CA -1.181 56.753 58.000 -0.110 0.000 1.002 275 F CB 0.885 39.795 39.000 -0.150 0.000 1.319 275 F HN 0.534 nan 8.300 nan 0.000 0.495 276 S N -0.603 115.238 115.700 0.235 0.000 2.400 276 S HA -0.197 4.264 4.470 -0.014 0.000 0.232 276 S C 0.869 175.563 174.600 0.157 0.000 1.025 276 S CA 1.568 59.856 58.200 0.146 0.000 0.993 276 S CB -0.611 62.657 63.200 0.113 0.000 0.808 276 S HN 0.736 nan 8.310 nan 0.000 0.478 277 D N 0.619 121.158 120.400 0.231 0.000 2.427 277 D HA 0.451 5.083 4.640 -0.014 0.000 0.224 277 D C 0.848 177.340 176.300 0.320 0.000 1.157 277 D CA 0.304 54.435 54.000 0.218 0.000 0.828 277 D CB -0.068 40.830 40.800 0.163 0.000 0.974 277 D HN 0.629 nan 8.370 nan 0.000 0.498 278 G N 0.222 109.218 108.800 0.326 0.000 2.343 278 G HA2 -0.021 3.931 3.960 -0.014 0.000 0.562 278 G HA3 -0.021 3.931 3.960 -0.014 0.000 0.562 278 G C -1.545 173.523 174.900 0.280 0.000 1.269 278 G CA -1.041 44.248 45.100 0.316 0.000 1.011 278 G HN 0.359 nan 8.290 nan 0.000 0.498 279 R N 0.434 121.079 120.500 0.242 0.000 2.337 279 R HA 0.715 5.046 4.340 -0.014 0.000 0.319 279 R C -0.568 175.858 176.300 0.209 0.000 0.954 279 R CA -0.790 55.353 56.100 0.073 0.000 0.840 279 R CB 0.620 30.934 30.300 0.023 0.000 1.164 279 R HN 1.110 nan 8.270 nan 0.000 0.472 280 Y N 0.414 120.821 120.300 0.178 0.000 2.750 280 Y HA 0.586 5.128 4.550 -0.012 0.000 0.335 280 Y C -1.202 174.833 175.900 0.224 0.000 1.252 280 Y CA -1.483 56.724 58.100 0.177 0.000 1.064 280 Y CB 0.486 39.042 38.460 0.161 0.000 1.321 280 Y HN 0.500 nan 8.280 nan 0.000 0.451 281 A N 1.702 124.768 122.820 0.410 0.000 2.548 281 A HA 0.161 4.472 4.320 -0.014 0.000 0.247 281 A C -0.163 177.621 177.584 0.335 0.000 1.067 281 A CA 0.388 52.608 52.037 0.304 0.000 0.757 281 A CB -0.434 18.806 19.000 0.399 0.000 0.996 281 A HN 0.631 nan 8.150 nan 0.000 0.504 282 D N 3.767 124.269 120.400 0.169 0.000 2.363 282 D HA 0.163 4.795 4.640 -0.014 0.000 0.263 282 D C -1.530 174.877 176.300 0.178 0.000 1.258 282 D CA -1.679 52.457 54.000 0.227 0.000 0.907 282 D CB 0.966 41.811 40.800 0.076 0.000 1.107 282 D HN 0.190 nan 8.370 nan 0.000 0.495 283 P HA -0.050 nan 4.420 nan 0.000 0.221 283 P C 0.542 177.924 177.300 0.137 0.000 1.150 283 P CA 0.683 63.902 63.100 0.199 0.000 0.800 283 P CB 0.309 32.078 31.700 0.114 0.000 0.787 284 N N -0.578 118.147 118.700 0.041 0.000 2.336 284 N HA 0.083 4.815 4.740 -0.014 0.000 0.189 284 N C 0.487 175.931 175.510 -0.110 0.000 1.113 284 N CA 0.132 53.173 53.050 -0.014 0.000 0.858 284 N CB -0.068 38.417 38.487 -0.002 0.000 0.970 284 N HN 0.025 nan 8.380 nan 0.000 0.471 285 A N 1.239 123.912 122.820 -0.245 0.000 2.990 285 A HA 0.314 4.626 4.320 -0.014 0.000 0.282 285 A C 0.213 177.369 177.584 -0.712 0.000 1.688 285 A CA -0.250 51.522 52.037 -0.441 0.000 1.391 285 A CB -1.032 17.646 19.000 -0.536 0.000 1.112 285 A HN 0.151 nan 8.150 nan 0.000 0.588 286 I N 2.670 123.028 120.570 -0.354 0.000 2.377 286 I HA 0.235 4.397 4.170 -0.014 0.000 0.282 286 I C 1.196 177.201 176.117 -0.186 0.000 1.091 286 I CA -0.286 60.859 61.300 -0.258 0.000 1.207 286 I CB 1.047 38.986 38.000 -0.101 0.000 1.429 286 I HN 0.568 nan 8.210 nan 0.000 0.491 287 G N 4.416 113.108 108.800 -0.180 0.000 2.544 287 G HA2 0.143 4.095 3.960 -0.014 0.000 0.242 287 G HA3 0.143 4.095 3.960 -0.014 0.000 0.242 287 G C -0.555 174.372 174.900 0.046 0.000 1.247 287 G CA -0.218 44.879 45.100 -0.004 0.000 0.840 287 G HN 0.604 nan 8.290 nan 0.000 0.578 288 Q N -0.008 119.889 119.800 0.162 0.000 2.331 288 Q HA 0.498 4.830 4.340 -0.014 0.000 0.267 288 Q C -1.172 175.007 176.000 0.298 0.000 1.006 288 Q CA -0.496 55.444 55.803 0.230 0.000 0.818 288 Q CB 1.508 30.385 28.738 0.231 0.000 1.276 288 Q HN 0.421 nan 8.270 nan 0.000 0.450 289 T N 2.966 117.722 114.554 0.337 0.000 2.881 289 T HA 0.472 4.814 4.350 -0.014 0.000 0.291 289 T C -1.136 173.696 174.700 0.220 0.000 0.990 289 T CA -0.424 61.802 62.100 0.210 0.000 0.976 289 T CB 1.383 70.371 68.868 0.199 0.000 0.970 289 T HN 0.377 nan 8.240 nan 0.000 0.438 290 V N 4.039 124.003 119.914 0.083 0.000 2.531 290 V HA 0.556 4.668 4.120 -0.014 0.000 0.301 290 V C -1.053 174.999 176.094 -0.070 0.000 1.034 290 V CA -0.927 61.424 62.300 0.085 0.000 0.865 290 V CB 1.334 33.053 31.823 -0.173 0.000 0.995 290 V HN 0.817 nan 8.190 nan 0.000 0.424 291 F N 5.274 125.344 119.950 0.200 0.000 2.415 291 F HA 0.725 5.247 4.527 -0.007 0.000 0.348 291 F C -0.213 175.686 175.800 0.165 0.000 1.119 291 F CA -0.542 57.547 58.000 0.148 0.000 1.069 291 F CB 1.533 40.590 39.000 0.095 0.000 1.124 291 F HN 0.221 nan 8.300 nan 0.000 0.472 292 L N 3.096 124.510 121.223 0.318 0.000 2.362 292 L HA 0.421 4.753 4.340 -0.014 0.000 0.275 292 L C -0.109 176.957 176.870 0.327 0.000 0.998 292 L CA -0.859 54.188 54.840 0.345 0.000 0.820 292 L CB 1.642 43.872 42.059 0.286 0.000 1.270 292 L HN 0.603 nan 8.230 nan 0.000 0.415 293 N N 0.141 119.036 118.700 0.324 0.000 2.714 293 N HA -0.184 4.547 4.740 -0.014 0.000 0.252 293 N C -0.768 174.956 175.510 0.357 0.000 1.014 293 N CA 0.978 54.213 53.050 0.309 0.000 0.735 293 N CB -0.886 37.761 38.487 0.268 0.000 0.924 293 N HN 0.677 nan 8.380 nan 0.000 0.540 294 T N -0.182 114.527 114.554 0.259 0.000 2.807 294 T HA 0.502 4.844 4.350 -0.014 0.000 0.279 294 T C 0.308 174.820 174.700 -0.312 0.000 0.993 294 T CA -0.710 61.444 62.100 0.089 0.000 0.970 294 T CB 1.333 70.321 68.868 0.200 0.000 0.950 294 T HN 0.272 nan 8.240 nan 0.000 0.441 295 S N 3.633 118.957 115.700 -0.625 0.000 2.584 295 S HA 0.706 5.168 4.470 -0.014 0.000 0.273 295 S C -0.327 173.996 174.600 -0.463 0.000 1.311 295 S CA -0.787 56.829 58.200 -0.975 0.000 1.034 295 S CB 0.285 62.938 63.200 -0.911 0.000 0.939 295 S HN 0.654 nan 8.310 nan 0.000 0.513 296 M N 2.438 121.796 119.600 -0.404 0.000 2.271 296 M HA 0.349 4.821 4.480 -0.014 0.000 0.285 296 M C -0.963 175.219 176.300 -0.196 0.000 1.059 296 M CA -0.655 54.464 55.300 -0.301 0.000 0.940 296 M CB 2.111 34.477 32.600 -0.390 0.000 1.636 296 M HN 0.697 nan 8.290 nan 0.000 0.460 297 D N 1.428 121.788 120.400 -0.066 0.000 2.398 297 D HA 0.097 4.729 4.640 -0.014 0.000 0.247 297 D C 0.765 177.064 176.300 -0.003 0.000 1.227 297 D CA 0.253 54.274 54.000 0.035 0.000 0.980 297 D CB 0.865 41.755 40.800 0.151 0.000 1.106 297 D HN 0.712 nan 8.370 nan 0.000 0.493 298 N N 0.585 119.312 118.700 0.045 0.000 2.515 298 N HA -0.168 4.563 4.740 -0.014 0.000 0.191 298 N C 1.315 176.843 175.510 0.031 0.000 1.182 298 N CA 0.649 53.697 53.050 -0.004 0.000 0.879 298 N CB -0.545 37.948 38.487 0.010 0.000 0.984 298 N HN 0.482 nan 8.380 nan 0.000 0.453 299 H N -0.378 118.669 119.070 -0.039 0.000 2.491 299 H HA 0.041 4.588 4.556 -0.015 0.000 0.290 299 H C 0.171 175.508 175.328 0.016 0.000 1.050 299 H CA 0.057 56.115 56.048 0.016 0.000 1.309 299 H CB -0.175 29.589 29.762 0.004 0.000 1.392 299 H HN 0.087 nan 8.280 nan 0.000 0.554 300 I N 2.907 123.149 120.570 -0.547 0.000 2.471 300 I HA -0.090 4.071 4.170 -0.014 0.000 0.286 300 I C 0.996 176.942 176.117 -0.285 0.000 1.079 300 I CA -0.309 60.667 61.300 -0.541 0.000 1.398 300 I CB 0.233 37.831 38.000 -0.670 0.000 1.403 300 I HN 0.279 nan 8.210 nan 0.000 0.530 301 Y N 4.094 124.270 120.300 -0.207 0.000 2.462 301 Y HA 0.610 5.152 4.550 -0.013 0.000 0.253 301 Y C 0.926 176.728 175.900 -0.164 0.000 1.095 301 Y CA 0.010 58.024 58.100 -0.144 0.000 1.283 301 Y CB -0.051 38.359 38.460 -0.083 0.000 1.138 301 Y HN 0.666 nan 8.280 nan 0.000 0.522 302 G N -0.537 107.975 108.800 -0.480 0.000 2.236 302 G HA2 -0.056 3.896 3.960 -0.014 0.000 0.231 302 G HA3 -0.056 3.896 3.960 -0.014 0.000 0.231 302 G C -1.519 173.040 174.900 -0.569 0.000 1.334 302 G CA -0.875 43.964 45.100 -0.434 0.000 1.137 302 G HN 0.213 nan 8.290 nan 0.000 0.482 303 W N 0.432 121.728 121.300 -0.008 0.000 2.390 303 W HA 0.738 5.389 4.660 -0.015 0.000 0.362 303 W C 0.090 176.745 176.519 0.227 0.000 1.206 303 W CA 0.039 57.400 57.345 0.026 0.000 1.355 303 W CB 1.243 30.768 29.460 0.108 0.000 1.278 303 W HN 0.602 nan 8.180 nan 0.000 0.653 304 D N -0.510 120.210 120.400 0.532 0.000 2.626 304 D HA 0.241 4.872 4.640 -0.014 0.000 0.278 304 D C -1.017 175.527 176.300 0.407 0.000 1.211 304 D CA -0.693 53.587 54.000 0.466 0.000 0.903 304 D CB 1.901 43.030 40.800 0.549 0.000 1.408 304 D HN 0.379 nan 8.370 nan 0.000 0.454 305 K N -0.064 120.535 120.400 0.332 0.000 2.148 305 K HA 0.712 5.023 4.320 -0.014 0.000 0.239 305 K C -0.480 176.352 176.600 0.386 0.000 1.018 305 K CA -0.742 55.763 56.287 0.362 0.000 0.923 305 K CB 1.996 34.684 32.500 0.314 0.000 1.117 305 K HN 0.425 nan 8.250 nan 0.000 0.477 306 M N 1.158 121.039 119.600 0.468 0.000 2.470 306 M HA 0.197 4.669 4.480 -0.014 0.000 0.285 306 M C -1.538 174.889 176.300 0.211 0.000 1.213 306 M CA -0.414 55.084 55.300 0.330 0.000 0.901 306 M CB 2.591 35.342 32.600 0.251 0.000 1.718 306 M HN 0.989 nan 8.290 nan 0.000 0.469 307 S N 1.913 117.467 115.700 -0.244 0.000 2.638 307 S HA 1.011 5.473 4.470 -0.014 0.000 0.298 307 S C -0.351 174.142 174.600 -0.177 0.000 1.111 307 S CA -0.170 57.621 58.200 -0.681 0.000 1.027 307 S CB 1.932 64.152 63.200 -1.634 0.000 1.064 307 S HN 0.969 nan 8.310 nan 0.000 0.525 308 G N 0.868 109.586 108.800 -0.136 0.000 2.975 308 G HA2 0.627 4.579 3.960 -0.014 0.000 0.291 308 G HA3 0.627 4.579 3.960 -0.014 0.000 0.291 308 G C -1.692 173.192 174.900 -0.026 0.000 1.334 308 G CA -0.893 44.254 45.100 0.078 0.000 0.843 308 G HN 0.594 nan 8.290 nan 0.000 0.548 309 K N 1.315 121.760 120.400 0.076 0.000 2.244 309 K HA 0.373 4.685 4.320 -0.014 0.000 0.260 309 K C -0.677 175.996 176.600 0.122 0.000 0.951 309 K CA -0.546 55.772 56.287 0.051 0.000 0.826 309 K CB 2.060 34.600 32.500 0.066 0.000 1.108 309 K HN 0.788 nan 8.250 nan 0.000 0.433 310 D N 0.776 121.194 120.400 0.030 0.000 2.447 310 D HA 0.029 4.660 4.640 -0.014 0.000 0.265 310 D C 0.872 177.095 176.300 -0.129 0.000 1.250 310 D CA -0.336 53.655 54.000 -0.015 0.000 1.046 310 D CB 0.579 41.319 40.800 -0.100 0.000 1.095 310 D HN 0.416 nan 8.370 nan 0.000 0.555 311 K N -0.888 119.201 120.400 -0.517 0.000 2.360 311 K HA -0.089 4.222 4.320 -0.014 0.000 0.201 311 K C 0.395 176.844 176.600 -0.251 0.000 1.046 311 K CA 0.888 56.737 56.287 -0.730 0.000 0.945 311 K CB -0.345 31.521 32.500 -1.057 0.000 0.750 311 K HN 0.196 nan 8.250 nan 0.000 0.464 312 N N 0.279 118.881 118.700 -0.164 0.000 2.236 312 N HA 0.059 4.790 4.740 -0.014 0.000 0.196 312 N C 0.772 176.257 175.510 -0.041 0.000 1.114 312 N CA 0.841 53.840 53.050 -0.085 0.000 0.859 312 N CB 1.262 39.699 38.487 -0.083 0.000 0.982 312 N HN 0.515 nan 8.380 nan 0.000 0.493 313 G N 0.988 109.772 108.800 -0.027 0.000 2.157 313 G HA2 -0.261 3.691 3.960 -0.014 0.000 0.248 313 G HA3 -0.261 3.691 3.960 -0.014 0.000 0.248 313 G C -0.209 174.681 174.900 -0.016 0.000 0.979 313 G CA -0.234 44.866 45.100 -0.001 0.000 0.650 313 G HN 0.374 nan 8.290 nan 0.000 0.529 314 N N 0.757 119.435 118.700 -0.037 0.000 2.515 314 N HA 0.514 5.245 4.740 -0.014 0.000 0.279 314 N C 0.399 175.866 175.510 -0.072 0.000 1.164 314 N CA 0.180 53.203 53.050 -0.045 0.000 0.982 314 N CB 0.648 39.106 38.487 -0.048 0.000 1.170 314 N HN 0.117 nan 8.380 nan 0.000 0.474 315 T N 1.514 116.017 114.554 -0.084 0.000 2.908 315 T HA 0.106 4.448 4.350 -0.014 0.000 0.301 315 T C 0.083 174.652 174.700 -0.220 0.000 1.019 315 T CA 0.347 62.345 62.100 -0.171 0.000 1.152 315 T CB -0.171 68.614 68.868 -0.138 0.000 0.966 315 T HN 0.327 nan 8.240 nan 0.000 0.540 316 I N 2.661 123.005 120.570 -0.376 0.000 2.582 316 I HA 0.530 4.691 4.170 -0.014 0.000 0.292 316 I C -1.552 174.098 176.117 -0.778 0.000 1.066 316 I CA -1.274 59.742 61.300 -0.474 0.000 1.053 316 I CB 1.486 39.201 38.000 -0.474 0.000 1.241 316 I HN 0.652 nan 8.210 nan 0.000 0.421 317 W N 6.636 127.621 121.300 -0.524 0.000 2.433 317 W HA 0.510 5.161 4.660 -0.014 0.000 0.315 317 W C -1.126 175.015 176.519 -0.630 0.000 1.087 317 W CA -0.322 56.766 57.345 -0.429 0.000 1.205 317 W CB 1.356 30.705 29.460 -0.184 0.000 1.288 317 W HN 0.177 nan 8.180 nan 0.000 0.504 318 F N 3.552 123.589 119.950 0.145 0.000 2.426 318 F HA 0.362 4.883 4.527 -0.010 0.000 0.348 318 F C 0.374 176.262 175.800 0.146 0.000 1.124 318 F CA -1.036 56.981 58.000 0.028 0.000 1.008 318 F CB 0.663 39.556 39.000 -0.178 0.000 1.139 318 F HN 0.198 nan 8.300 nan 0.000 0.452 319 N N 4.780 123.624 118.700 0.240 0.000 2.487 319 N HA 0.294 5.025 4.740 -0.014 0.000 0.292 319 N C -1.853 173.726 175.510 0.115 0.000 1.108 319 N CA -1.771 51.385 53.050 0.176 0.000 0.956 319 N CB 1.584 40.130 38.487 0.098 0.000 1.176 319 N HN 0.211 nan 8.380 nan 0.000 0.484 320 P HA -0.157 nan 4.420 nan 0.000 0.217 320 P C 0.954 178.169 177.300 -0.142 0.000 1.150 320 P CA 1.345 64.517 63.100 0.120 0.000 0.832 320 P CB 0.325 32.289 31.700 0.440 0.000 0.787 321 E N 0.306 120.481 120.200 -0.042 0.000 2.265 321 E HA -0.176 4.166 4.350 -0.014 0.000 0.196 321 E C 0.644 177.171 176.600 -0.122 0.000 0.996 321 E CA 1.088 57.440 56.400 -0.080 0.000 0.832 321 E CB -0.901 28.796 29.700 -0.005 0.000 0.756 321 E HN 0.252 nan 8.360 nan 0.000 0.491 322 D N 0.650 120.983 120.400 -0.113 0.000 2.339 322 D HA 0.121 4.753 4.640 -0.014 0.000 0.217 322 D C 0.085 176.271 176.300 -0.189 0.000 1.050 322 D CA 0.160 54.105 54.000 -0.093 0.000 0.856 322 D CB 0.546 41.344 40.800 -0.003 0.000 0.922 322 D HN 0.018 nan 8.370 nan 0.000 0.518 323 S N -0.235 115.209 115.700 -0.427 0.000 2.747 323 S HA 0.438 4.900 4.470 -0.014 0.000 0.300 323 S C 0.505 174.638 174.600 -0.780 0.000 1.121 323 S CA -0.790 56.986 58.200 -0.706 0.000 0.995 323 S CB 1.863 64.263 63.200 -1.333 0.000 1.113 323 S HN -0.046 nan 8.310 nan 0.000 0.547 324 R N 0.953 121.072 120.500 -0.635 0.000 4.071 324 R HA 0.270 4.601 4.340 -0.014 0.000 0.220 324 R C -1.380 174.699 176.300 -0.368 0.000 1.614 324 R CA -0.006 55.909 56.100 -0.308 0.000 1.505 324 R CB -0.337 30.013 30.300 0.083 0.000 1.384 324 R HN 0.274 nan 8.270 nan 0.000 0.758 325 F N 1.756 121.054 119.950 -1.087 0.000 2.375 325 F HA 0.446 4.963 4.527 -0.017 0.000 0.361 325 F C -0.131 174.882 175.800 -1.313 0.000 1.117 325 F CA -1.559 55.606 58.000 -1.392 0.000 1.037 325 F CB 0.435 38.135 39.000 -2.167 0.000 1.192 325 F HN 0.066 nan 8.300 nan 0.000 0.452 326 F N 0.572 120.572 119.950 0.084 0.000 2.626 326 F HA 0.579 5.096 4.527 -0.017 0.000 0.311 326 F C -0.233 175.837 175.800 0.449 0.000 1.088 326 F CA -1.001 57.148 58.000 0.249 0.000 0.949 326 F CB 2.058 41.130 39.000 0.120 0.000 1.322 326 F HN 0.269 nan 8.300 nan 0.000 0.461 327 E N 0.166 120.724 120.200 0.596 0.000 2.336 327 E HA 0.458 4.800 4.350 -0.014 0.000 0.267 327 E C -2.076 174.773 176.600 0.415 0.000 0.906 327 E CA -1.103 55.581 56.400 0.472 0.000 0.781 327 E CB 3.257 33.165 29.700 0.346 0.000 1.261 327 E HN 0.540 nan 8.360 nan 0.000 0.436 328 Y N 1.260 121.684 120.300 0.207 0.000 2.332 328 Y HA 0.208 4.751 4.550 -0.012 0.000 0.325 328 Y C -0.915 175.079 175.900 0.157 0.000 1.054 328 Y CA -0.903 57.291 58.100 0.157 0.000 1.119 328 Y CB 0.847 39.381 38.460 0.124 0.000 1.168 328 Y HN 0.549 nan 8.280 nan 0.000 0.439 329 K N 2.747 122.962 120.400 -0.308 0.000 3.148 329 K HA -0.168 4.144 4.320 -0.014 0.000 0.267 329 K C -0.239 176.390 176.600 0.047 0.000 0.996 329 K CA 1.036 57.183 56.287 -0.234 0.000 0.737 329 K CB -1.352 30.874 32.500 -0.457 0.000 1.308 329 K HN 0.625 nan 8.250 nan 0.000 0.470 330 S N 0.183 115.928 115.700 0.075 0.000 2.573 330 S HA 0.292 4.754 4.470 -0.014 0.000 0.277 330 S C -0.013 174.677 174.600 0.151 0.000 1.346 330 S CA -0.138 58.107 58.200 0.076 0.000 1.034 330 S CB 0.209 63.383 63.200 -0.043 0.000 0.879 330 S HN 0.384 nan 8.310 nan 0.000 0.528 331 Y N -1.615 118.656 120.300 -0.048 0.000 2.715 331 Y HA 0.809 5.350 4.550 -0.015 0.000 0.331 331 Y C 0.053 175.924 175.900 -0.048 0.000 1.197 331 Y CA -0.783 57.291 58.100 -0.043 0.000 1.079 331 Y CB 0.393 38.837 38.460 -0.028 0.000 1.298 331 Y HN 1.081 nan 8.280 nan 0.000 0.477 332 G N -0.312 108.520 108.800 0.052 0.000 2.756 332 G HA2 0.247 4.198 3.960 -0.014 0.000 0.678 332 G HA3 0.247 4.198 3.960 -0.014 0.000 0.678 332 G C 0.535 175.406 174.900 -0.047 0.000 1.349 332 G CA 0.017 45.091 45.100 -0.043 0.000 0.847 332 G HN 1.756 nan 8.290 nan 0.000 0.548 333 A N -0.432 122.363 122.820 -0.042 0.000 2.019 333 A HA 0.305 4.616 4.320 -0.014 0.000 0.219 333 A C 2.619 180.162 177.584 -0.067 0.000 1.164 333 A CA 2.475 54.490 52.037 -0.036 0.000 0.644 333 A CB -0.555 18.435 19.000 -0.018 0.000 0.805 333 A HN 2.360 nan 8.150 nan 0.000 0.449 334 G N -1.337 107.391 108.800 -0.120 0.000 2.985 334 G HA2 0.348 4.300 3.960 -0.014 0.000 0.209 334 G HA3 0.348 4.300 3.960 -0.014 0.000 0.209 334 G C 0.625 175.405 174.900 -0.200 0.000 1.165 334 G CA 0.578 45.567 45.100 -0.185 0.000 0.776 334 G HN 0.768 nan 8.290 nan 0.000 0.541 335 A N 1.494 124.228 122.820 -0.143 0.000 3.215 335 A HA 0.546 4.858 4.320 -0.014 0.000 0.269 335 A C 0.797 178.344 177.584 -0.061 0.000 1.517 335 A CA -0.357 51.609 52.037 -0.119 0.000 1.221 335 A CB -0.648 18.302 19.000 -0.083 0.000 1.160 335 A HN 0.190 nan 8.150 nan 0.000 0.620 336 T N -0.651 113.865 114.554 -0.063 0.000 2.897 336 T HA 0.469 4.811 4.350 -0.014 0.000 0.294 336 T C 0.031 174.732 174.700 0.003 0.000 1.004 336 T CA -0.493 61.595 62.100 -0.021 0.000 1.106 336 T CB 1.671 70.531 68.868 -0.013 0.000 0.949 336 T HN 0.119 nan 8.240 nan 0.000 0.520 337 V N 3.222 123.152 119.914 0.027 0.000 2.370 337 V HA 0.697 4.809 4.120 -0.014 0.000 0.283 337 V C 0.250 176.381 176.094 0.061 0.000 1.023 337 V CA -0.446 61.888 62.300 0.056 0.000 0.857 337 V CB 0.821 32.678 31.823 0.056 0.000 0.985 337 V HN 1.264 nan 8.190 nan 0.000 0.443 338 S N 3.732 119.482 115.700 0.083 0.000 2.656 338 S HA 0.433 4.895 4.470 -0.014 0.000 0.273 338 S C 0.626 175.289 174.600 0.104 0.000 1.168 338 S CA -0.495 57.755 58.200 0.082 0.000 0.817 338 S CB 1.769 65.013 63.200 0.073 0.000 1.146 338 S HN 0.709 nan 8.310 nan 0.000 0.475 339 K N 0.065 120.520 120.400 0.092 0.000 2.211 339 K HA -0.124 4.188 4.320 -0.014 0.000 0.204 339 K C 0.122 176.792 176.600 0.116 0.000 1.047 339 K CA 1.775 58.120 56.287 0.096 0.000 0.935 339 K CB -0.595 31.949 32.500 0.075 0.000 0.728 339 K HN 0.560 nan 8.250 nan 0.000 0.452 340 D N 0.992 121.470 120.400 0.131 0.000 2.349 340 D HA 0.019 4.651 4.640 -0.014 0.000 0.224 340 D C 0.051 176.514 176.300 0.272 0.000 1.029 340 D CA 0.445 54.550 54.000 0.175 0.000 0.879 340 D CB 0.245 41.146 40.800 0.168 0.000 0.906 340 D HN 0.217 nan 8.370 nan 0.000 0.528 341 R N 0.948 121.597 120.500 0.249 0.000 2.443 341 R HA 0.320 4.652 4.340 -0.014 0.000 0.287 341 R C -0.465 176.010 176.300 0.291 0.000 1.425 341 R CA -0.632 55.675 56.100 0.345 0.000 1.300 341 R CB 1.212 31.655 30.300 0.239 0.000 1.129 341 R HN -0.181 nan 8.270 nan 0.000 0.577 342 R N 1.348 122.013 120.500 0.275 0.000 2.623 342 R HA 0.053 4.385 4.340 -0.014 0.000 0.271 342 R C 0.103 176.646 176.300 0.405 0.000 1.043 342 R CA 0.306 56.584 56.100 0.297 0.000 1.083 342 R CB 0.490 30.959 30.300 0.281 0.000 0.974 342 R HN 0.232 nan 8.270 nan 0.000 0.436 343 Q N 2.360 122.370 119.800 0.350 0.000 2.342 343 Q HA 0.334 4.665 4.340 -0.014 0.000 0.267 343 Q C -0.432 175.745 176.000 0.296 0.000 1.038 343 Q CA -0.704 55.293 55.803 0.324 0.000 0.832 343 Q CB 2.111 30.987 28.738 0.229 0.000 1.323 343 Q HN 0.451 nan 8.270 nan 0.000 0.448 344 L N 1.672 123.075 121.223 0.300 0.000 2.417 344 L HA 0.250 4.582 4.340 -0.014 0.000 0.268 344 L C 1.154 178.174 176.870 0.250 0.000 1.158 344 L CA -0.356 54.589 54.840 0.176 0.000 0.819 344 L CB 0.475 42.590 42.059 0.092 0.000 1.112 344 L HN 0.704 nan 8.230 nan 0.000 0.458 345 T N -2.660 111.973 114.554 0.132 0.000 2.766 345 T HA 0.046 4.388 4.350 -0.014 0.000 0.295 345 T C 0.788 175.558 174.700 0.115 0.000 1.024 345 T CA -0.767 61.420 62.100 0.145 0.000 1.018 345 T CB 0.920 69.835 68.868 0.077 0.000 1.002 345 T HN 0.515 nan 8.240 nan 0.000 0.532 346 D N 1.029 121.527 120.400 0.164 0.000 2.133 346 D HA -0.118 4.514 4.640 -0.014 0.000 0.195 346 D C 2.367 178.646 176.300 -0.036 0.000 0.997 346 D CA 1.827 55.880 54.000 0.088 0.000 0.840 346 D CB -0.848 40.037 40.800 0.142 0.000 0.947 346 D HN 0.755 nan 8.370 nan 0.000 0.452 347 A N 0.732 123.552 122.820 -0.000 0.000 1.902 347 A HA -0.239 4.073 4.320 -0.014 0.000 0.217 347 A C 2.161 179.725 177.584 -0.034 0.000 1.181 347 A CA 1.573 53.601 52.037 -0.014 0.000 0.623 347 A CB -0.644 18.356 19.000 -0.000 0.000 0.818 347 A HN 0.229 nan 8.150 nan 0.000 0.443 348 Q N -0.821 118.960 119.800 -0.031 0.000 2.119 348 Q HA -0.050 4.282 4.340 -0.014 0.000 0.201 348 Q C 2.390 178.414 176.000 0.041 0.000 0.972 348 Q CA 1.212 57.010 55.803 -0.008 0.000 0.847 348 Q CB -0.366 28.360 28.738 -0.019 0.000 0.903 348 Q HN 0.689 nan 8.270 nan 0.000 0.433 349 A N 1.040 123.775 122.820 -0.142 0.000 1.972 349 A HA -0.129 4.183 4.320 -0.014 0.000 0.219 349 A C 2.236 179.782 177.584 -0.064 0.000 1.169 349 A CA 1.486 53.357 52.037 -0.277 0.000 0.635 349 A CB -0.685 17.588 19.000 -1.212 0.000 0.810 349 A HN 0.398 nan 8.150 nan 0.000 0.446 350 A N -0.445 122.330 122.820 -0.075 0.000 2.125 350 A HA -0.079 4.232 4.320 -0.014 0.000 0.219 350 A C 1.641 179.207 177.584 -0.030 0.000 1.156 350 A CA 1.383 53.398 52.037 -0.037 0.000 0.671 350 A CB -0.273 18.705 19.000 -0.036 0.000 0.794 350 A HN 0.454 nan 8.150 nan 0.000 0.459 351 E N -1.272 118.901 120.200 -0.045 0.000 2.481 351 E HA -0.033 4.309 4.350 -0.014 0.000 0.195 351 E C -0.245 176.183 176.600 -0.287 0.000 1.047 351 E CA 0.520 56.821 56.400 -0.166 0.000 0.867 351 E CB -0.159 29.379 29.700 -0.270 0.000 0.858 351 E HN 0.853 nan 8.360 nan 0.000 0.513 352 Y N 0.721 121.028 120.300 0.012 0.000 2.720 352 Y HA 0.083 4.625 4.550 -0.013 0.000 0.277 352 Y C 0.837 176.692 175.900 -0.074 0.000 1.144 352 Y CA -0.534 57.553 58.100 -0.022 0.000 1.221 352 Y CB 0.104 38.594 38.460 0.050 0.000 1.163 352 Y HN -0.162 nan 8.280 nan 0.000 0.537 353 T N -3.307 111.239 114.554 -0.014 0.000 2.860 353 T HA -0.031 4.311 4.350 -0.014 0.000 0.299 353 T C 1.341 175.967 174.700 -0.123 0.000 1.045 353 T CA -0.417 61.656 62.100 -0.044 0.000 1.071 353 T CB 1.367 70.200 68.868 -0.059 0.000 0.985 353 T HN 0.481 nan 8.240 nan 0.000 0.537 354 Q N 0.742 120.461 119.800 -0.134 0.000 2.112 354 Q HA -0.197 4.135 4.340 -0.014 0.000 0.206 354 Q C 2.406 178.243 176.000 -0.271 0.000 0.987 354 Q CA 2.059 57.714 55.803 -0.248 0.000 0.858 354 Q CB -0.540 27.999 28.738 -0.331 0.000 0.905 354 Q HN 0.856 nan 8.270 nan 0.000 0.420 355 S N -0.249 115.325 115.700 -0.210 0.000 2.370 355 S HA -0.167 4.294 4.470 -0.014 0.000 0.226 355 S C 1.761 176.263 174.600 -0.163 0.000 1.033 355 S CA 1.510 59.603 58.200 -0.178 0.000 1.011 355 S CB -0.048 63.075 63.200 -0.128 0.000 0.852 355 S HN 0.354 nan 8.310 nan 0.000 0.457 356 K N 0.176 120.468 120.400 -0.179 0.000 2.062 356 K HA 0.035 4.346 4.320 -0.014 0.000 0.205 356 K C 2.101 178.484 176.600 -0.363 0.000 1.051 356 K CA 1.239 57.417 56.287 -0.183 0.000 0.941 356 K CB -0.348 32.063 32.500 -0.148 0.000 0.719 356 K HN 0.282 nan 8.250 nan 0.000 0.440 357 V N 1.805 121.383 119.914 -0.560 0.000 2.358 357 V HA -0.169 3.943 4.120 -0.014 0.000 0.246 357 V C 2.027 177.949 176.094 -0.287 0.000 1.047 357 V CA 1.474 63.311 62.300 -0.772 0.000 1.035 357 V CB -0.283 31.216 31.823 -0.539 0.000 0.658 357 V HN 0.255 nan 8.190 nan 0.000 0.452 358 L N -0.677 120.433 121.223 -0.189 0.000 2.607 358 L HA 0.381 4.713 4.340 -0.014 0.000 0.228 358 L C 1.662 178.550 176.870 0.030 0.000 1.123 358 L CA 0.569 55.390 54.840 -0.033 0.000 0.890 358 L CB -0.663 41.301 42.059 -0.157 0.000 1.103 358 L HN 0.515 nan 8.230 nan 0.000 0.468 359 G N 2.331 111.114 108.800 -0.028 0.000 2.622 359 G HA2 -0.454 3.497 3.960 -0.014 0.000 0.307 359 G HA3 -0.454 3.497 3.960 -0.014 0.000 0.307 359 G C 0.532 175.436 174.900 0.007 0.000 1.226 359 G CA 0.615 45.719 45.100 0.006 0.000 0.997 359 G HN 0.533 nan 8.290 nan 0.000 0.551 360 D N -0.228 120.199 120.400 0.044 0.000 2.363 360 D HA 0.110 4.741 4.640 -0.014 0.000 0.226 360 D C 0.739 177.099 176.300 0.100 0.000 1.020 360 D CA 0.738 54.764 54.000 0.043 0.000 0.892 360 D CB -0.148 40.674 40.800 0.037 0.000 0.900 360 D HN 0.474 nan 8.370 nan 0.000 0.531 361 W N 1.755 122.995 121.300 -0.101 0.000 2.335 361 W HA 0.481 5.144 4.660 0.006 0.000 0.307 361 W C -0.897 175.516 176.519 -0.176 0.000 1.117 361 W CA -0.962 56.311 57.345 -0.120 0.000 1.228 361 W CB 1.053 30.447 29.460 -0.110 0.000 1.240 361 W HN -0.327 nan 8.180 nan 0.000 0.468 362 T N 9.287 123.576 114.554 -0.441 0.000 2.801 362 T HA 0.271 4.612 4.350 -0.014 0.000 0.306 362 T C -2.447 171.694 174.700 -0.932 0.000 1.020 362 T CA -1.260 60.444 62.100 -0.660 0.000 0.948 362 T CB 0.837 69.505 68.868 -0.333 0.000 0.962 362 T HN 0.134 nan 8.240 nan 0.000 0.465 363 P HA 0.209 nan 4.420 nan 0.000 0.267 363 P C -0.160 176.748 177.300 -0.653 0.000 1.209 363 P CA -0.068 62.252 63.100 -1.299 0.000 0.763 363 P CB 0.315 30.891 31.700 -1.874 0.000 0.816 364 T N 0.936 115.402 114.554 -0.148 0.000 2.903 364 T HA 0.664 5.005 4.350 -0.014 0.000 0.299 364 T C -0.569 174.276 174.700 0.243 0.000 1.093 364 T CA -0.933 61.210 62.100 0.072 0.000 1.002 364 T CB 0.802 69.666 68.868 -0.007 0.000 1.127 364 T HN 0.046 nan 8.240 nan 0.000 0.488 365 L N 1.860 123.181 121.223 0.163 0.000 2.352 365 L HA 0.584 4.916 4.340 -0.014 0.000 0.269 365 L C -1.605 175.195 176.870 -0.116 0.000 1.034 365 L CA -2.160 52.682 54.840 0.004 0.000 0.806 365 L CB 0.666 42.704 42.059 -0.035 0.000 1.244 365 L HN 0.613 nan 8.230 nan 0.000 0.447 366 P HA 0.000 nan 4.420 nan 0.000 0.216 366 P CA 0.000 62.938 63.100 -0.270 0.000 0.800 366 P CB 0.000 31.493 31.700 -0.345 0.000 0.726