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 3gyr_1_K DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.612 177.584 0.046 0.000 1.274 37 A CA 0.000 52.063 52.037 0.044 0.000 0.836 37 A CB 0.000 19.034 19.000 0.057 0.000 0.831 38 P HA 0.316 nan 4.420 nan 0.000 0.255 38 P C 1.054 178.380 177.300 0.045 0.000 1.173 38 P CA 2.422 65.544 63.100 0.036 0.000 0.780 38 P CB 0.105 31.823 31.700 0.031 0.000 0.758 39 G N 2.173 110.996 108.800 0.038 0.000 2.155 39 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.257 39 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.257 39 G C 0.079 175.008 174.900 0.049 0.000 0.983 39 G CA -0.250 44.872 45.100 0.037 0.000 0.676 39 G HN 0.542 nan 8.290 nan 0.000 0.528 40 E N -0.502 119.734 120.200 0.059 0.000 2.283 40 E HA 0.572 4.922 4.350 -0.000 0.000 0.271 40 E C 0.712 177.317 176.600 0.009 0.000 1.031 40 E CA -0.785 55.656 56.400 0.069 0.000 0.868 40 E CB 1.047 30.811 29.700 0.107 0.000 1.094 40 E HN 0.302 nan 8.360 nan 0.000 0.401 41 L N 1.605 122.805 121.223 -0.039 0.000 2.371 41 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 41 L C 0.369 177.260 176.870 0.034 0.000 1.124 41 L CA -0.319 54.428 54.840 -0.155 0.000 0.816 41 L CB 0.640 42.327 42.059 -0.620 0.000 1.129 41 L HN 0.447 nan 8.230 nan 0.000 0.448 42 T N 4.004 118.638 114.554 0.133 0.000 2.737 42 T HA 0.208 4.558 4.350 -0.000 0.000 0.296 42 T C -2.210 172.630 174.700 0.232 0.000 0.922 42 T CA -0.962 61.225 62.100 0.145 0.000 1.079 42 T CB 0.500 69.449 68.868 0.136 0.000 0.892 42 T HN 0.382 nan 8.240 nan 0.000 0.514 43 P HA 0.151 nan 4.420 nan 0.000 0.271 43 P C -0.005 177.139 177.300 -0.260 0.000 1.218 43 P CA -0.301 62.600 63.100 -0.332 0.000 0.780 43 P CB 0.074 31.035 31.700 -1.231 0.000 0.901 44 F N -1.470 118.656 119.950 0.293 0.000 3.058 44 F HA -0.239 4.287 4.527 -0.000 0.000 0.295 44 F C 1.293 177.256 175.800 0.271 0.000 0.875 44 F CA 0.140 58.291 58.000 0.252 0.000 1.150 44 F CB -2.359 36.725 39.000 0.139 0.000 1.175 44 F HN 0.384 nan 8.300 nan 0.000 0.599 45 A N -0.442 122.551 122.820 0.287 0.000 2.044 45 A HA 0.655 4.975 4.320 -0.000 0.000 0.213 45 A C 1.213 178.903 177.584 0.176 0.000 1.169 45 A CA 0.998 53.121 52.037 0.145 0.000 0.724 45 A CB 0.148 19.110 19.000 -0.064 0.000 0.840 45 A HN 0.853 nan 8.150 nan 0.000 0.463 46 A N 0.192 123.078 122.820 0.111 0.000 2.401 46 A HA 0.717 5.037 4.320 -0.000 0.000 0.310 46 A C -3.038 174.290 177.584 -0.427 0.000 1.075 46 A CA -2.043 49.974 52.037 -0.033 0.000 0.746 46 A CB 1.106 20.030 19.000 -0.126 0.000 1.277 46 A HN 0.081 nan 8.150 nan 0.000 0.425 47 P HA 0.285 nan 4.420 nan 0.000 0.274 47 P C -0.339 176.676 177.300 -0.476 0.000 1.231 47 P CA -0.276 62.222 63.100 -1.003 0.000 0.790 47 P CB 0.686 32.064 31.700 -0.536 0.000 0.951 48 L N 2.659 123.638 121.223 -0.407 0.000 2.456 48 L HA 0.267 4.606 4.340 -0.000 0.000 0.272 48 L C 0.472 177.265 176.870 -0.129 0.000 1.189 48 L CA 0.745 55.463 54.840 -0.203 0.000 0.846 48 L CB 0.135 42.093 42.059 -0.167 0.000 1.111 48 L HN 0.565 nan 8.230 nan 0.000 0.475 49 T N 2.271 116.779 114.554 -0.076 0.000 2.937 49 T HA 0.803 5.153 4.350 -0.000 0.000 0.283 49 T C -0.280 174.414 174.700 -0.010 0.000 1.012 49 T CA -0.239 61.839 62.100 -0.037 0.000 0.997 49 T CB 1.593 70.446 68.868 -0.026 0.000 1.136 49 T HN 0.839 nan 8.240 nan 0.000 0.551 50 V N -2.348 117.571 119.914 0.008 0.000 2.789 50 V HA 0.728 4.847 4.120 -0.000 0.000 0.311 50 V C -3.051 173.058 176.094 0.025 0.000 1.073 50 V CA -2.697 59.617 62.300 0.023 0.000 0.921 50 V CB 0.765 32.610 31.823 0.038 0.000 1.009 50 V HN 0.811 nan 8.190 nan 0.000 0.426 51 P HA 0.241 nan 4.420 nan 0.000 0.267 51 P C -2.561 174.765 177.300 0.043 0.000 1.201 51 P CA -0.436 62.686 63.100 0.037 0.000 0.775 51 P CB -0.324 31.404 31.700 0.046 0.000 0.854 52 P HA 0.012 nan 4.420 nan 0.000 0.269 52 P C -0.696 176.630 177.300 0.044 0.000 1.215 52 P CA 0.145 63.269 63.100 0.040 0.000 0.780 52 P CB 0.434 32.158 31.700 0.040 0.000 0.898 53 V N 3.453 123.385 119.914 0.029 0.000 2.509 53 V HA 0.211 4.331 4.120 -0.000 0.000 0.284 53 V C 0.425 176.522 176.094 0.005 0.000 1.047 53 V CA -0.359 61.952 62.300 0.018 0.000 0.952 53 V CB 0.959 32.786 31.823 0.006 0.000 0.988 53 V HN 0.405 nan 8.190 nan 0.000 0.469 54 L N 6.629 127.847 121.223 -0.007 0.000 2.349 54 L HA 0.583 4.922 4.340 -0.000 0.000 0.278 54 L C -0.134 176.697 176.870 -0.065 0.000 0.996 54 L CA -0.241 54.582 54.840 -0.029 0.000 0.825 54 L CB 1.473 43.518 42.059 -0.024 0.000 1.243 54 L HN 0.548 nan 8.230 nan 0.000 0.412 55 R N 6.581 127.046 120.500 -0.059 0.000 2.247 55 R HA 0.382 4.721 4.340 -0.000 0.000 0.329 55 R C -1.921 174.339 176.300 -0.066 0.000 1.014 55 R CA -1.387 54.669 56.100 -0.072 0.000 0.907 55 R CB 0.892 31.159 30.300 -0.055 0.000 1.146 55 R HN 0.558 nan 8.270 nan 0.000 0.499 56 P HA 0.038 nan 4.420 nan 0.000 0.245 56 P C 0.202 177.477 177.300 -0.041 0.000 1.203 56 P CA 0.199 63.261 63.100 -0.063 0.000 0.792 56 P CB 0.415 32.071 31.700 -0.072 0.000 0.997 57 A N 0.947 123.746 122.820 -0.036 0.000 2.498 57 A HA 0.430 4.749 4.320 -0.000 0.000 0.239 57 A C 0.706 178.280 177.584 -0.017 0.000 1.068 57 A CA 0.494 52.521 52.037 -0.016 0.000 0.766 57 A CB -0.171 18.821 19.000 -0.014 0.000 1.003 57 A HN 0.381 nan 8.150 nan 0.000 0.497 58 S N 0.260 115.954 115.700 -0.010 0.000 2.752 58 S HA 0.489 4.959 4.470 -0.000 0.000 0.284 58 S C -0.180 174.417 174.600 -0.006 0.000 1.189 58 S CA -0.242 57.951 58.200 -0.011 0.000 0.835 58 S CB 0.843 64.034 63.200 -0.016 0.000 1.192 58 S HN 0.452 nan 8.310 nan 0.000 0.506 59 D N 0.599 120.995 120.400 -0.007 0.000 2.194 59 D HA 0.129 4.768 4.640 -0.000 0.000 0.204 59 D C 0.178 176.476 176.300 -0.004 0.000 0.964 59 D CA 0.891 54.889 54.000 -0.004 0.000 0.846 59 D CB 0.018 40.816 40.800 -0.004 0.000 0.962 59 D HN 0.658 nan 8.370 nan 0.000 0.490 60 E N 1.148 121.343 120.200 -0.008 0.000 2.014 60 E HA 0.121 4.471 4.350 -0.000 0.000 0.275 60 E C 0.738 177.332 176.600 -0.011 0.000 0.997 60 E CA -0.235 56.159 56.400 -0.009 0.000 0.804 60 E CB 1.548 31.241 29.700 -0.012 0.000 1.090 60 E HN -0.206 nan 8.360 nan 0.000 0.401 61 V N 3.764 123.674 119.914 -0.007 0.000 2.626 61 V HA -0.196 3.924 4.120 -0.000 0.000 0.252 61 V C 1.966 178.050 176.094 -0.017 0.000 1.067 61 V CA 2.532 64.827 62.300 -0.007 0.000 1.081 61 V CB -0.190 31.634 31.823 0.001 0.000 0.686 61 V HN 0.828 nan 8.190 nan 0.000 0.468 62 T N -1.850 112.694 114.554 -0.017 0.000 3.035 62 T HA -0.079 4.270 4.350 -0.000 0.000 0.268 62 T C 1.268 175.950 174.700 -0.030 0.000 1.109 62 T CA 0.237 62.323 62.100 -0.023 0.000 1.119 62 T CB -0.367 68.490 68.868 -0.019 0.000 0.900 62 T HN 0.443 nan 8.240 nan 0.000 0.503 63 R N 2.223 122.706 120.500 -0.029 0.000 2.248 63 R HA 0.194 4.534 4.340 -0.000 0.000 0.337 63 R C -0.557 175.714 176.300 -0.047 0.000 1.085 63 R CA -0.202 55.877 56.100 -0.035 0.000 0.934 63 R CB 0.271 30.553 30.300 -0.029 0.000 1.034 63 R HN 0.526 nan 8.270 nan 0.000 0.465 64 E N 1.997 122.160 120.200 -0.060 0.000 2.349 64 E HA 0.095 4.445 4.350 -0.000 0.000 0.265 64 E C -0.494 176.048 176.600 -0.097 0.000 1.064 64 E CA -0.337 56.012 56.400 -0.086 0.000 0.886 64 E CB 1.121 30.759 29.700 -0.102 0.000 1.036 64 E HN 0.395 nan 8.360 nan 0.000 0.413 65 T N 2.145 116.623 114.554 -0.127 0.000 2.729 65 T HA 0.049 4.399 4.350 -0.000 0.000 0.296 65 T C -0.037 174.548 174.700 -0.192 0.000 0.928 65 T CA -0.254 61.761 62.100 -0.142 0.000 1.045 65 T CB 0.362 69.138 68.868 -0.152 0.000 0.902 65 T HN 0.382 nan 8.240 nan 0.000 0.500 66 E N 3.807 123.924 120.200 -0.139 0.000 2.290 66 E HA 0.225 4.575 4.350 -0.000 0.000 0.277 66 E C -0.698 175.825 176.600 -0.129 0.000 1.035 66 E CA -0.291 56.030 56.400 -0.132 0.000 0.873 66 E CB 0.412 30.067 29.700 -0.075 0.000 1.029 66 E HN 0.561 nan 8.360 nan 0.000 0.419 67 I N 4.261 124.742 120.570 -0.149 0.000 2.437 67 I HA 0.307 4.477 4.170 -0.000 0.000 0.279 67 I C -0.344 175.852 176.117 0.131 0.000 1.028 67 I CA -0.692 60.593 61.300 -0.026 0.000 1.142 67 I CB 1.503 39.422 38.000 -0.136 0.000 1.266 67 I HN 0.479 nan 8.210 nan 0.000 0.461 68 A N 7.415 130.300 122.820 0.110 0.000 2.269 68 A HA 0.633 4.953 4.320 -0.000 0.000 0.302 68 A C -0.439 177.212 177.584 0.112 0.000 1.266 68 A CA -0.447 51.642 52.037 0.088 0.000 0.894 68 A CB 0.232 19.256 19.000 0.040 0.000 1.147 68 A HN 0.602 nan 8.150 nan 0.000 0.537 69 L N 3.859 125.128 121.223 0.077 0.000 2.418 69 L HA 0.347 4.686 4.340 -0.000 0.000 0.274 69 L C 0.793 177.607 176.870 -0.093 0.000 1.135 69 L CA 1.033 55.848 54.840 -0.042 0.000 0.870 69 L CB 0.115 42.094 42.059 -0.134 0.000 1.154 69 L HN 0.757 nan 8.230 nan 0.000 0.462 70 R N 3.226 123.676 120.500 -0.083 0.000 2.698 70 R HA 0.596 4.936 4.340 -0.000 0.000 0.275 70 R C -2.768 173.496 176.300 -0.060 0.000 1.001 70 R CA -2.152 53.904 56.100 -0.074 0.000 0.896 70 R CB 1.013 31.319 30.300 0.010 0.000 1.218 70 R HN 0.213 nan 8.270 nan 0.000 0.462 71 P HA 0.070 nan 4.420 nan 0.000 0.269 71 P C -0.512 176.808 177.300 0.034 0.000 1.215 71 P CA 0.093 63.238 63.100 0.075 0.000 0.780 71 P CB 0.814 32.562 31.700 0.080 0.000 0.898 72 T N 1.199 115.714 114.554 -0.065 0.000 2.886 72 T HA 0.506 4.856 4.350 -0.000 0.000 0.330 72 T C -2.213 172.346 174.700 -0.235 0.000 1.488 72 T CA -0.530 61.550 62.100 -0.034 0.000 1.054 72 T CB 0.356 69.242 68.868 0.029 0.000 1.348 72 T HN 0.166 nan 8.240 nan 0.000 0.489 73 W N 2.829 124.151 121.300 0.037 0.000 2.417 73 W HA 0.693 5.353 4.660 -0.001 0.000 0.315 73 W C -0.767 175.758 176.519 0.010 0.000 1.045 73 W CA -0.565 56.791 57.345 0.018 0.000 1.221 73 W CB 1.732 31.200 29.460 0.013 0.000 1.309 73 W HN 0.422 nan 8.180 nan 0.000 0.453 74 V N 4.046 124.067 119.914 0.178 0.000 2.540 74 V HA 0.392 4.512 4.120 -0.000 0.000 0.302 74 V C -0.212 175.940 176.094 0.096 0.000 1.035 74 V CA -1.266 61.092 62.300 0.097 0.000 0.873 74 V CB 1.760 33.600 31.823 0.029 0.000 0.992 74 V HN 0.273 nan 8.190 nan 0.000 0.428 75 R N 3.792 124.334 120.500 0.070 0.000 2.419 75 R HA 0.375 4.715 4.340 -0.000 0.000 0.305 75 R C 0.834 177.147 176.300 0.020 0.000 1.242 75 R CA 0.036 56.165 56.100 0.047 0.000 1.105 75 R CB -0.365 29.952 30.300 0.029 0.000 1.116 75 R HN 0.781 nan 8.270 nan 0.000 0.523 76 L N 1.360 122.591 121.223 0.014 0.000 2.079 76 L HA -0.105 4.234 4.340 -0.000 0.000 0.210 76 L C 0.832 177.719 176.870 0.029 0.000 1.081 76 L CA 1.264 56.099 54.840 -0.010 0.000 0.752 76 L CB -0.205 41.818 42.059 -0.060 0.000 0.896 76 L HN 0.630 nan 8.230 nan 0.000 0.433 77 H N -2.116 116.900 119.070 -0.090 0.000 3.112 77 H HA 0.122 4.678 4.556 -0.000 0.000 0.347 77 H C -2.209 173.089 175.328 -0.049 0.000 1.188 77 H CA -1.106 54.890 56.048 -0.086 0.000 1.240 77 H CB 2.321 31.990 29.762 -0.155 0.000 1.920 77 H HN -0.312 nan 8.280 nan 0.000 0.535 78 P HA -0.114 nan 4.420 nan 0.000 0.219 78 P C 0.647 177.981 177.300 0.057 0.000 1.146 78 P CA 1.188 64.230 63.100 -0.095 0.000 0.808 78 P CB 0.323 31.930 31.700 -0.155 0.000 0.779 79 Q N -0.973 119.000 119.800 0.288 0.000 2.444 79 Q HA 0.159 4.499 4.340 -0.000 0.000 0.206 79 Q C 0.559 176.613 176.000 0.089 0.000 0.948 79 Q CA 0.081 56.004 55.803 0.200 0.000 0.946 79 Q CB -0.083 28.783 28.738 0.213 0.000 1.027 79 Q HN 0.327 nan 8.270 nan 0.000 0.513 80 L N 1.340 122.612 121.223 0.082 0.000 2.330 80 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 80 L C -2.145 174.737 176.870 0.020 0.000 1.013 80 L CA -2.564 52.282 54.840 0.010 0.000 0.816 80 L CB 1.156 43.197 42.059 -0.029 0.000 1.287 80 L HN -0.096 nan 8.230 nan 0.000 0.435 81 P HA 0.198 nan 4.420 nan 0.000 0.273 81 P C -2.681 174.659 177.300 0.067 0.000 1.250 81 P CA -1.390 61.725 63.100 0.026 0.000 0.793 81 P CB -0.467 31.247 31.700 0.023 0.000 1.011 82 P HA 0.125 nan 4.420 nan 0.000 0.267 82 P C -0.380 177.154 177.300 0.391 0.000 1.200 82 P CA 0.616 63.849 63.100 0.222 0.000 0.772 82 P CB 0.074 31.896 31.700 0.204 0.000 0.855 83 T N 2.925 117.668 114.554 0.315 0.000 2.807 83 T HA 0.364 4.714 4.350 -0.000 0.000 0.279 83 T C -0.336 174.251 174.700 -0.188 0.000 0.993 83 T CA -0.469 61.697 62.100 0.111 0.000 0.970 83 T CB 0.480 69.344 68.868 -0.006 0.000 0.950 83 T HN 0.175 nan 8.240 nan 0.000 0.441 84 L N 5.112 125.960 121.223 -0.626 0.000 2.410 84 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 84 L C -0.537 175.968 176.870 -0.608 0.000 1.144 84 L CA 0.730 54.869 54.840 -1.168 0.000 0.863 84 L CB -0.259 41.092 42.059 -1.180 0.000 1.140 84 L HN 0.668 nan 8.230 nan 0.000 0.463 85 M N 3.418 122.722 119.600 -0.493 0.000 2.704 85 M HA 0.401 4.881 4.480 -0.000 0.000 0.284 85 M C -1.572 174.683 176.300 -0.076 0.000 1.275 85 M CA -0.610 54.510 55.300 -0.300 0.000 0.811 85 M CB 2.132 34.641 32.600 -0.152 0.000 1.741 85 M HN 0.411 nan 8.290 nan 0.000 0.458 86 W N 0.587 121.756 121.300 -0.219 0.000 2.587 86 W HA 0.721 5.381 4.660 0.000 0.000 0.324 86 W C -0.185 176.235 176.519 -0.164 0.000 1.040 86 W CA -1.129 56.104 57.345 -0.187 0.000 1.222 86 W CB 1.482 30.826 29.460 -0.193 0.000 1.381 86 W HN 0.656 nan 8.180 nan 0.000 0.483 87 G N 2.103 110.941 108.800 0.063 0.000 2.638 87 G HA2 0.517 4.476 3.960 -0.000 0.000 0.302 87 G HA3 0.517 4.476 3.960 -0.000 0.000 0.302 87 G C -2.011 172.907 174.900 0.029 0.000 1.365 87 G CA -0.744 44.370 45.100 0.023 0.000 0.987 87 G HN 0.173 nan 8.290 nan 0.000 0.495 88 Y N 1.396 121.794 120.300 0.162 0.000 2.632 88 Y HA 0.094 4.643 4.550 -0.000 0.000 0.329 88 Y C 1.078 177.070 175.900 0.153 0.000 1.174 88 Y CA 0.759 58.988 58.100 0.216 0.000 1.469 88 Y CB 0.593 39.281 38.460 0.380 0.000 1.242 88 Y HN 0.639 nan 8.280 nan 0.000 0.540 89 D N 2.422 122.981 120.400 0.264 0.000 2.882 89 D HA -0.206 4.434 4.640 -0.000 0.000 0.229 89 D C 1.286 177.656 176.300 0.116 0.000 1.167 89 D CA 1.751 55.843 54.000 0.153 0.000 0.759 89 D CB -1.191 39.692 40.800 0.139 0.000 1.088 89 D HN 1.086 nan 8.370 nan 0.000 0.425 90 G N -1.036 107.826 108.800 0.103 0.000 2.168 90 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 90 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 90 G C 0.044 174.992 174.900 0.080 0.000 0.997 90 G CA 0.493 45.640 45.100 0.079 0.000 0.708 90 G HN 0.391 nan 8.290 nan 0.000 0.520 91 Q N -0.604 119.255 119.800 0.098 0.000 2.337 91 Q HA 0.673 5.013 4.340 -0.000 0.000 0.266 91 Q C -0.375 175.654 176.000 0.049 0.000 1.023 91 Q CA -0.625 55.224 55.803 0.076 0.000 0.829 91 Q CB 2.600 31.396 28.738 0.096 0.000 1.306 91 Q HN 0.317 nan 8.270 nan 0.000 0.449 92 V N 3.777 123.690 119.914 -0.001 0.000 2.443 92 V HA 0.344 4.464 4.120 -0.000 0.000 0.293 92 V C -2.190 173.835 176.094 -0.115 0.000 1.021 92 V CA -1.781 60.467 62.300 -0.087 0.000 0.848 92 V CB 1.759 33.547 31.823 -0.059 0.000 0.998 92 V HN 0.616 nan 8.190 nan 0.000 0.424 93 P HA 0.179 nan 4.420 nan 0.000 0.270 93 P C 0.560 177.782 177.300 -0.130 0.000 1.227 93 P CA 0.206 63.042 63.100 -0.440 0.000 0.788 93 P CB 0.457 31.940 31.700 -0.361 0.000 0.926 94 G N 1.130 109.910 108.800 -0.033 0.000 2.699 94 G HA2 0.262 4.221 3.960 -0.000 0.000 0.246 94 G HA3 0.262 4.221 3.960 -0.000 0.000 0.246 94 G C -2.445 172.582 174.900 0.211 0.000 1.219 94 G CA -0.811 44.436 45.100 0.246 0.000 0.866 94 G HN 0.336 nan 8.290 nan 0.000 0.572 95 P HA 0.142 nan 4.420 nan 0.000 0.269 95 P C 0.061 177.500 177.300 0.232 0.000 1.217 95 P CA 0.083 63.296 63.100 0.190 0.000 0.783 95 P CB 0.453 32.241 31.700 0.146 0.000 0.898 96 T N 3.228 117.869 114.554 0.145 0.000 2.727 96 T HA 0.296 4.646 4.350 -0.000 0.000 0.295 96 T C 0.566 175.317 174.700 0.085 0.000 0.915 96 T CA -0.066 62.119 62.100 0.141 0.000 1.066 96 T CB -0.672 68.246 68.868 0.084 0.000 0.891 96 T HN 0.182 nan 8.240 nan 0.000 0.516 97 I N 3.403 124.031 120.570 0.097 0.000 2.474 97 I HA 0.270 4.440 4.170 -0.000 0.000 0.287 97 I C 0.734 176.680 176.117 -0.284 0.000 1.048 97 I CA -0.122 61.102 61.300 -0.127 0.000 1.383 97 I CB 0.733 38.617 38.000 -0.193 0.000 1.412 97 I HN 0.536 nan 8.210 nan 0.000 0.531 98 E N 6.336 126.373 120.200 -0.272 0.000 2.246 98 E HA 0.613 4.963 4.350 -0.000 0.000 0.266 98 E C -1.451 175.000 176.600 -0.247 0.000 0.880 98 E CA -0.623 55.629 56.400 -0.247 0.000 0.762 98 E CB 2.281 31.908 29.700 -0.122 0.000 1.180 98 E HN 0.464 nan 8.360 nan 0.000 0.416 99 V N 0.819 120.583 119.914 -0.251 0.000 3.167 99 V HA 0.699 4.819 4.120 -0.000 0.000 0.310 99 V C -0.842 175.198 176.094 -0.091 0.000 1.207 99 V CA -1.101 61.110 62.300 -0.148 0.000 1.059 99 V CB 1.956 33.703 31.823 -0.126 0.000 1.079 99 V HN 0.637 nan 8.190 nan 0.000 0.446 100 R N 0.558 121.031 120.500 -0.044 0.000 2.598 100 R HA 0.543 4.883 4.340 -0.000 0.000 0.279 100 R C -0.088 176.212 176.300 -0.001 0.000 0.984 100 R CA -0.910 55.173 56.100 -0.028 0.000 0.999 100 R CB 1.594 31.883 30.300 -0.019 0.000 1.114 100 R HN 0.893 nan 8.270 nan 0.000 0.493 101 R N 0.495 120.994 120.500 -0.002 0.000 2.523 101 R HA -0.094 4.245 4.340 -0.000 0.000 0.281 101 R C 0.644 176.969 176.300 0.042 0.000 0.969 101 R CA 1.772 57.888 56.100 0.026 0.000 1.093 101 R CB -0.085 30.221 30.300 0.011 0.000 0.917 101 R HN 0.911 nan 8.270 nan 0.000 0.408 102 G N 2.610 111.454 108.800 0.074 0.000 2.225 102 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 102 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 102 G C -0.234 174.706 174.900 0.066 0.000 0.988 102 G CA 0.363 45.503 45.100 0.068 0.000 0.625 102 G HN 0.668 nan 8.290 nan 0.000 0.527 103 Q N 0.841 120.680 119.800 0.064 0.000 2.324 103 Q HA 0.314 4.654 4.340 -0.000 0.000 0.257 103 Q C 0.637 176.693 176.000 0.094 0.000 1.080 103 Q CA -0.254 55.584 55.803 0.059 0.000 0.907 103 Q CB 0.693 29.453 28.738 0.035 0.000 1.274 103 Q HN 0.482 nan 8.270 nan 0.000 0.434 104 R N 2.421 122.972 120.500 0.083 0.000 2.401 104 R HA 0.286 4.625 4.340 -0.000 0.000 0.299 104 R C -1.110 175.244 176.300 0.089 0.000 1.064 104 R CA -0.059 56.100 56.100 0.098 0.000 1.000 104 R CB 0.540 30.881 30.300 0.068 0.000 0.973 104 R HN 0.364 nan 8.270 nan 0.000 0.438 105 V N 5.460 125.453 119.914 0.131 0.000 2.789 105 V HA 0.486 4.606 4.120 -0.000 0.000 0.311 105 V C -0.535 175.606 176.094 0.078 0.000 1.073 105 V CA -0.849 61.522 62.300 0.119 0.000 0.921 105 V CB 2.252 34.194 31.823 0.198 0.000 1.009 105 V HN 0.812 nan 8.190 nan 0.000 0.426 106 R N 4.108 124.608 120.500 -0.001 0.000 2.513 106 R HA 0.725 5.065 4.340 -0.000 0.000 0.301 106 R C -1.448 174.770 176.300 -0.137 0.000 0.968 106 R CA -0.526 55.523 56.100 -0.085 0.000 0.872 106 R CB 2.254 32.505 30.300 -0.082 0.000 1.177 106 R HN 0.570 nan 8.270 nan 0.000 0.444 107 I N 1.693 122.124 120.570 -0.233 0.000 2.465 107 I HA 0.392 4.562 4.170 -0.000 0.000 0.291 107 I C -0.275 175.545 176.117 -0.495 0.000 1.014 107 I CA -0.689 60.343 61.300 -0.446 0.000 1.093 107 I CB 2.216 39.758 38.000 -0.763 0.000 1.267 107 I HN 0.638 nan 8.210 nan 0.000 0.431 108 A N 6.535 129.113 122.820 -0.403 0.000 2.444 108 A HA 0.400 4.720 4.320 -0.000 0.000 0.332 108 A C -1.323 176.130 177.584 -0.219 0.000 1.430 108 A CA -0.361 51.537 52.037 -0.231 0.000 0.975 108 A CB -0.290 18.632 19.000 -0.129 0.000 1.147 108 A HN 0.705 nan 8.150 nan 0.000 0.524 109 W N 2.597 123.904 121.300 0.012 0.000 2.585 109 W HA 0.368 5.029 4.660 0.000 0.000 0.337 109 W C 0.032 176.568 176.519 0.029 0.000 1.226 109 W CA 0.027 57.404 57.345 0.054 0.000 1.463 109 W CB 0.554 30.064 29.460 0.084 0.000 1.458 109 W HN 0.490 nan 8.180 nan 0.000 0.458 110 T N 3.415 118.083 114.554 0.189 0.000 2.791 110 T HA 0.072 4.421 4.350 -0.000 0.000 0.288 110 T C -0.206 174.511 174.700 0.029 0.000 0.999 110 T CA -0.829 61.308 62.100 0.062 0.000 0.952 110 T CB 0.611 69.478 68.868 -0.003 0.000 0.938 110 T HN 0.143 nan 8.240 nan 0.000 0.444 111 N N 3.015 121.704 118.700 -0.017 0.000 2.402 111 N HA 0.074 4.813 4.740 -0.000 0.000 0.259 111 N C 0.389 175.831 175.510 -0.113 0.000 1.167 111 N CA -0.346 52.673 53.050 -0.052 0.000 0.949 111 N CB 0.358 38.829 38.487 -0.027 0.000 1.212 111 N HN 0.397 nan 8.380 nan 0.000 0.493 112 R N 3.817 124.285 120.500 -0.054 0.000 2.696 112 R HA 0.272 4.612 4.340 -0.000 0.000 0.355 112 R C -0.193 176.224 176.300 0.195 0.000 1.138 112 R CA -0.314 55.812 56.100 0.043 0.000 1.059 112 R CB 0.106 30.418 30.300 0.019 0.000 1.380 112 R HN 0.517 nan 8.270 nan 0.000 0.578 113 I N 3.398 124.028 120.570 0.099 0.000 2.291 113 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 113 I C -2.060 174.069 176.117 0.021 0.000 1.064 113 I CA -2.082 59.156 61.300 -0.103 0.000 1.269 113 I CB 0.851 38.481 38.000 -0.617 0.000 1.418 113 I HN -0.272 nan 8.210 nan 0.000 0.485 114 P HA -0.004 nan 4.420 nan 0.000 0.266 114 P C -0.578 176.443 177.300 -0.464 0.000 1.193 114 P CA -0.136 62.513 63.100 -0.752 0.000 0.770 114 P CB 0.448 31.896 31.700 -0.420 0.000 0.836 115 K N 1.360 121.428 120.400 -0.553 0.000 2.414 115 K HA 0.292 4.612 4.320 -0.000 0.000 0.272 115 K C 1.418 177.944 176.600 -0.124 0.000 0.993 115 K CA 0.999 57.161 56.287 -0.209 0.000 0.964 115 K CB -0.323 32.086 32.500 -0.152 0.000 0.925 115 K HN 0.805 nan 8.250 nan 0.000 0.487 116 G N 1.190 109.972 108.800 -0.029 0.000 2.225 116 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 116 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 116 G C 0.090 175.015 174.900 0.041 0.000 0.988 116 G CA 0.150 45.250 45.100 0.000 0.000 0.625 116 G HN 0.565 nan 8.290 nan 0.000 0.527 117 S N 1.098 116.831 115.700 0.055 0.000 2.599 117 S HA 0.208 4.677 4.470 -0.000 0.000 0.303 117 S C 0.560 175.274 174.600 0.189 0.000 1.267 117 S CA 0.327 58.608 58.200 0.136 0.000 1.055 117 S CB 0.994 64.309 63.200 0.192 0.000 0.790 117 S HN 0.514 nan 8.310 nan 0.000 0.500 118 E N 1.356 121.647 120.200 0.152 0.000 2.360 118 E HA 0.009 4.359 4.350 -0.000 0.000 0.269 118 E C -0.779 175.876 176.600 0.093 0.000 1.022 118 E CA -0.200 56.266 56.400 0.109 0.000 0.887 118 E CB 0.387 30.125 29.700 0.063 0.000 0.990 118 E HN 0.582 nan 8.360 nan 0.000 0.426 119 Y N 5.841 126.104 120.300 -0.063 0.000 2.442 119 Y HA 0.105 4.655 4.550 -0.000 0.000 0.330 119 Y C -1.790 173.874 175.900 -0.393 0.000 1.129 119 Y CA -1.655 56.294 58.100 -0.253 0.000 1.365 119 Y CB 1.052 39.376 38.460 -0.228 0.000 1.233 119 Y HN 0.502 nan 8.280 nan 0.000 0.529 120 P HA -0.030 nan 4.420 nan 0.000 0.231 120 P C -0.795 176.185 177.300 -0.533 0.000 1.168 120 P CA 0.847 63.449 63.100 -0.830 0.000 0.779 120 P CB 0.305 31.352 31.700 -1.089 0.000 0.844 121 V N 0.041 119.663 119.914 -0.487 0.000 2.417 121 V HA 0.235 4.355 4.120 -0.000 0.000 0.291 121 V C 0.233 176.303 176.094 -0.040 0.000 1.024 121 V CA -0.357 61.840 62.300 -0.171 0.000 0.861 121 V CB 1.567 33.360 31.823 -0.050 0.000 0.985 121 V HN -0.108 nan 8.190 nan 0.000 0.436 122 T N 3.499 118.037 114.554 -0.027 0.000 2.845 122 T HA 0.355 4.705 4.350 -0.000 0.000 0.288 122 T C 0.036 174.752 174.700 0.027 0.000 0.980 122 T CA -0.081 62.007 62.100 -0.019 0.000 1.071 122 T CB 1.293 70.162 68.868 0.001 0.000 0.941 122 T HN 0.626 nan 8.240 nan 0.000 0.487 123 S N 2.170 117.852 115.700 -0.031 0.000 2.478 123 S HA 0.731 5.200 4.470 -0.000 0.000 0.312 123 S C -0.567 174.084 174.600 0.086 0.000 1.094 123 S CA -0.682 57.559 58.200 0.068 0.000 1.081 123 S CB 0.343 63.459 63.200 -0.139 0.000 1.007 123 S HN 0.681 nan 8.310 nan 0.000 0.475 124 V N 2.100 122.111 119.914 0.162 0.000 3.007 124 V HA 0.741 4.860 4.120 -0.000 0.000 0.311 124 V C -1.115 175.068 176.094 0.148 0.000 1.120 124 V CA -0.961 61.412 62.300 0.121 0.000 0.980 124 V CB 1.925 33.799 31.823 0.085 0.000 1.033 124 V HN 0.814 nan 8.190 nan 0.000 0.429 125 E N 1.825 122.095 120.200 0.117 0.000 2.171 125 E HA 0.686 5.035 4.350 -0.000 0.000 0.271 125 E C -0.839 175.806 176.600 0.074 0.000 0.916 125 E CA -0.812 55.652 56.400 0.107 0.000 0.774 125 E CB 2.523 32.292 29.700 0.115 0.000 1.128 125 E HN 0.985 nan 8.360 nan 0.000 0.403 126 V N 0.114 120.066 119.914 0.063 0.000 2.864 126 V HA 0.645 4.764 4.120 -0.000 0.000 0.314 126 V C -2.725 173.392 176.094 0.039 0.000 1.073 126 V CA -2.908 59.419 62.300 0.046 0.000 0.956 126 V CB 1.492 33.339 31.823 0.040 0.000 1.023 126 V HN 0.440 nan 8.190 nan 0.000 0.435 127 P HA 0.300 nan 4.420 nan 0.000 0.272 127 P C 1.068 178.380 177.300 0.018 0.000 1.240 127 P CA -0.280 62.835 63.100 0.025 0.000 0.791 127 P CB 0.728 32.440 31.700 0.020 0.000 0.978 128 L N 0.203 121.435 121.223 0.015 0.000 2.013 128 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 128 L C 1.371 178.240 176.870 -0.001 0.000 1.073 128 L CA 2.050 56.894 54.840 0.006 0.000 0.753 128 L CB -1.233 40.829 42.059 0.005 0.000 0.890 128 L HN 0.793 nan 8.230 nan 0.000 0.432 129 G N -1.153 107.647 108.800 -0.000 0.000 2.880 129 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.617 129 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.617 129 G C -2.487 172.407 174.900 -0.010 0.000 1.493 129 G CA -0.753 44.344 45.100 -0.006 0.000 0.916 129 G HN 0.149 nan 8.290 nan 0.000 0.553 130 P HA 0.372 nan 4.420 nan 0.000 0.272 130 P C -2.192 175.097 177.300 -0.018 0.000 1.223 130 P CA -0.856 62.236 63.100 -0.014 0.000 0.784 130 P CB 0.117 31.808 31.700 -0.014 0.000 0.923 131 P HA 0.163 nan 4.420 nan 0.000 0.275 131 P C 0.876 178.161 177.300 -0.025 0.000 1.228 131 P CA 0.530 63.617 63.100 -0.021 0.000 0.786 131 P CB 0.286 31.977 31.700 -0.016 0.000 0.927 132 G N 0.909 109.690 108.800 -0.031 0.000 2.189 132 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.267 132 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.267 132 G C 0.339 175.215 174.900 -0.040 0.000 0.975 132 G CA 0.661 45.740 45.100 -0.035 0.000 0.644 132 G HN 0.869 nan 8.290 nan 0.000 0.537 133 T N -1.671 112.859 114.554 -0.040 0.000 2.945 133 T HA 0.685 5.035 4.350 -0.000 0.000 0.286 133 T C -2.536 172.130 174.700 -0.058 0.000 1.025 133 T CA -1.767 60.305 62.100 -0.046 0.000 1.039 133 T CB 2.459 71.305 68.868 -0.037 0.000 1.068 133 T HN 0.007 nan 8.240 nan 0.000 0.497 134 P HA 0.313 nan 4.420 nan 0.000 0.262 134 P C -0.289 176.965 177.300 -0.077 0.000 1.182 134 P CA -0.091 62.957 63.100 -0.087 0.000 0.761 134 P CB -0.016 31.624 31.700 -0.100 0.000 0.795 135 A N 6.372 129.140 122.820 -0.087 0.000 2.425 135 A HA 0.275 4.595 4.320 -0.000 0.000 0.242 135 A C -1.344 176.201 177.584 -0.066 0.000 1.077 135 A CA -0.789 51.206 52.037 -0.071 0.000 0.781 135 A CB -0.616 18.336 19.000 -0.081 0.000 1.020 135 A HN 0.410 nan 8.150 nan 0.000 0.494 136 P HA -0.067 nan 4.420 nan 0.000 0.233 136 P C 0.564 177.843 177.300 -0.035 0.000 1.167 136 P CA 0.919 64.002 63.100 -0.029 0.000 0.770 136 P CB -0.056 31.639 31.700 -0.008 0.000 0.837 137 N N -1.725 116.942 118.700 -0.054 0.000 2.521 137 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 137 N C 0.848 176.288 175.510 -0.118 0.000 1.146 137 N CA 0.858 53.857 53.050 -0.085 0.000 0.893 137 N CB -1.571 36.856 38.487 -0.100 0.000 0.975 137 N HN -0.069 nan 8.380 nan 0.000 0.451 138 T N -0.336 114.151 114.554 -0.112 0.000 3.129 138 T HA 0.136 4.486 4.350 -0.000 0.000 0.251 138 T C -0.248 174.380 174.700 -0.119 0.000 1.117 138 T CA 0.255 62.267 62.100 -0.146 0.000 1.034 138 T CB 0.116 68.890 68.868 -0.156 0.000 0.968 138 T HN 0.372 nan 8.240 nan 0.000 0.526 139 E N 1.264 121.434 120.200 -0.050 0.000 2.367 139 E HA 0.351 4.701 4.350 -0.000 0.000 0.273 139 E C -2.709 173.939 176.600 0.080 0.000 0.903 139 E CA -2.440 53.968 56.400 0.014 0.000 0.764 139 E CB 2.350 32.058 29.700 0.014 0.000 1.252 139 E HN -0.005 nan 8.360 nan 0.000 0.446 140 P HA 0.279 nan 4.420 nan 0.000 0.274 140 P C -0.000 177.371 177.300 0.119 0.000 1.246 140 P CA 0.166 63.385 63.100 0.199 0.000 0.795 140 P CB 0.678 32.531 31.700 0.254 0.000 1.006 141 G N 0.800 109.663 108.800 0.105 0.000 2.662 141 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 141 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 141 G C 0.163 175.103 174.900 0.067 0.000 1.271 141 G CA -0.604 44.541 45.100 0.074 0.000 0.816 141 G HN 0.497 nan 8.290 nan 0.000 0.608 142 R N 0.835 121.367 120.500 0.054 0.000 2.317 142 R HA 0.401 4.741 4.340 -0.000 0.000 0.208 142 R C 2.136 178.460 176.300 0.041 0.000 0.914 142 R CA 1.318 57.448 56.100 0.050 0.000 1.060 142 R CB -0.033 30.293 30.300 0.044 0.000 1.015 142 R HN 2.066 nan 8.270 nan 0.000 0.498 143 G N 0.393 109.215 108.800 0.037 0.000 2.634 143 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.309 143 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.309 143 G C 1.021 175.936 174.900 0.026 0.000 1.265 143 G CA 0.101 45.218 45.100 0.029 0.000 0.998 143 G HN 0.395 nan 8.290 nan 0.000 0.551 144 G N -0.441 108.373 108.800 0.023 0.000 2.422 144 G HA2 0.234 4.194 3.960 -0.000 0.000 0.218 144 G HA3 0.234 4.194 3.960 -0.000 0.000 0.218 144 G C 1.005 175.917 174.900 0.021 0.000 1.146 144 G CA 1.628 46.739 45.100 0.020 0.000 0.769 144 G HN 1.310 nan 8.290 nan 0.000 0.547 145 V N 1.478 121.408 119.914 0.026 0.000 2.715 145 V HA 0.129 4.249 4.120 -0.000 0.000 0.299 145 V C 0.233 176.340 176.094 0.022 0.000 1.054 145 V CA -0.814 61.502 62.300 0.026 0.000 1.077 145 V CB 1.465 33.308 31.823 0.034 0.000 0.972 145 V HN 0.230 nan 8.190 nan 0.000 0.484 146 E N 4.848 125.058 120.200 0.016 0.000 2.415 146 E HA 0.151 4.500 4.350 -0.000 0.000 0.263 146 E C -2.233 174.370 176.600 0.005 0.000 0.995 146 E CA -1.800 54.604 56.400 0.008 0.000 0.915 146 E CB 0.260 29.961 29.700 0.003 0.000 0.951 146 E HN 0.429 nan 8.360 nan 0.000 0.449 147 P HA -0.120 nan 4.420 nan 0.000 0.261 147 P C 0.188 177.464 177.300 -0.040 0.000 1.173 147 P CA 0.225 63.313 63.100 -0.020 0.000 0.760 147 P CB 0.296 31.979 31.700 -0.029 0.000 0.783 148 N N 3.252 121.917 118.700 -0.057 0.000 2.417 148 N HA -0.089 4.651 4.740 -0.000 0.000 0.272 148 N C 0.960 176.387 175.510 -0.138 0.000 1.304 148 N CA 0.416 53.413 53.050 -0.088 0.000 0.906 148 N CB 0.337 38.761 38.487 -0.105 0.000 1.135 148 N HN 0.246 nan 8.380 nan 0.000 0.483 149 K N 2.471 122.809 120.400 -0.103 0.000 2.211 149 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 149 K C 0.818 177.329 176.600 -0.148 0.000 1.050 149 K CA 0.960 57.184 56.287 -0.106 0.000 0.945 149 K CB 0.288 32.747 32.500 -0.069 0.000 0.732 149 K HN 0.526 nan 8.250 nan 0.000 0.451 150 D N -0.094 120.209 120.400 -0.162 0.000 2.178 150 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 150 D C 1.753 177.856 176.300 -0.329 0.000 0.980 150 D CA 1.055 54.937 54.000 -0.195 0.000 0.842 150 D CB -0.004 40.708 40.800 -0.148 0.000 0.948 150 D HN 0.006 nan 8.370 nan 0.000 0.472 151 V N 1.490 121.122 119.914 -0.471 0.000 2.379 151 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 151 V C 2.579 178.318 176.094 -0.593 0.000 1.044 151 V CA 1.583 63.425 62.300 -0.764 0.000 1.036 151 V CB -0.845 30.343 31.823 -1.059 0.000 0.664 151 V HN 0.150 nan 8.190 nan 0.000 0.453 152 A N 0.123 122.742 122.820 -0.335 0.000 2.070 152 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 152 A C 2.250 179.753 177.584 -0.135 0.000 1.159 152 A CA 1.769 53.701 52.037 -0.175 0.000 0.656 152 A CB -0.530 18.407 19.000 -0.105 0.000 0.800 152 A HN 0.585 nan 8.150 nan 0.000 0.453 153 A N -0.748 121.965 122.820 -0.178 0.000 2.169 153 A HA 0.383 4.703 4.320 -0.000 0.000 0.212 153 A C 0.868 178.374 177.584 -0.130 0.000 1.153 153 A CA -0.219 51.744 52.037 -0.122 0.000 0.756 153 A CB -0.375 18.554 19.000 -0.118 0.000 0.813 153 A HN 0.427 nan 8.150 nan 0.000 0.471 154 L N 2.161 123.229 121.223 -0.258 0.000 2.513 154 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 154 L C -1.813 175.098 176.870 0.067 0.000 1.187 154 L CA -1.296 53.416 54.840 -0.214 0.000 0.895 154 L CB 0.352 42.061 42.059 -0.582 0.000 1.147 154 L HN 0.220 nan 8.230 nan 0.000 0.483 155 P HA 0.219 nan 4.420 nan 0.000 0.278 155 P C -1.016 176.543 177.300 0.431 0.000 1.266 155 P CA -0.745 62.503 63.100 0.247 0.000 0.807 155 P CB 0.897 32.672 31.700 0.125 0.000 1.094 156 A N 0.680 123.714 122.820 0.355 0.000 2.451 156 A HA 0.305 4.625 4.320 -0.000 0.000 0.266 156 A C -1.012 176.763 177.584 0.318 0.000 1.119 156 A CA -0.010 52.146 52.037 0.198 0.000 0.786 156 A CB -0.907 17.774 19.000 -0.531 0.000 1.061 156 A HN 0.643 nan 8.150 nan 0.000 0.503 157 W N 2.945 124.342 121.300 0.162 0.000 2.740 157 W HA 0.526 5.186 4.660 -0.000 0.000 0.316 157 W C -0.674 175.918 176.519 0.123 0.000 1.020 157 W CA -0.183 57.232 57.345 0.116 0.000 1.278 157 W CB 1.285 30.813 29.460 0.114 0.000 1.224 157 W HN 0.693 nan 8.180 nan 0.000 0.393 158 S N 4.601 120.185 115.700 -0.194 0.000 2.541 158 S HA 0.832 5.301 4.470 -0.000 0.000 0.280 158 S C -2.095 172.351 174.600 -0.258 0.000 1.112 158 S CA -0.604 57.488 58.200 -0.181 0.000 0.925 158 S CB 1.601 64.782 63.200 -0.032 0.000 1.067 158 S HN 0.556 nan 8.310 nan 0.000 0.479 159 V N 3.549 123.318 119.914 -0.241 0.000 2.789 159 V HA 0.760 4.880 4.120 -0.000 0.000 0.311 159 V C -0.762 175.233 176.094 -0.166 0.000 1.073 159 V CA -0.157 62.025 62.300 -0.196 0.000 0.921 159 V CB 2.393 34.072 31.823 -0.241 0.000 1.009 159 V HN 0.977 nan 8.190 nan 0.000 0.426 160 T N 4.670 119.052 114.554 -0.286 0.000 2.797 160 T HA 0.496 4.845 4.350 -0.000 0.000 0.279 160 T C -1.287 173.139 174.700 -0.456 0.000 0.991 160 T CA -0.052 61.753 62.100 -0.492 0.000 0.979 160 T CB 0.654 68.816 68.868 -1.177 0.000 0.943 160 T HN 0.877 nan 8.240 nan 0.000 0.444 161 H N 2.636 121.411 119.070 -0.492 0.000 2.505 161 H HA 0.570 5.125 4.556 -0.000 0.000 0.338 161 H C -0.975 174.053 175.328 -0.501 0.000 1.057 161 H CA -1.066 54.741 56.048 -0.402 0.000 1.202 161 H CB 0.761 30.371 29.762 -0.254 0.000 1.466 161 H HN 0.372 nan 8.280 nan 0.000 0.499 162 L N 6.372 127.052 121.223 -0.906 0.000 2.356 162 L HA 0.204 4.544 4.340 -0.000 0.000 0.282 162 L C -0.478 175.698 176.870 -1.157 0.000 1.132 162 L CA -0.180 54.134 54.840 -0.876 0.000 0.923 162 L CB -0.856 40.673 42.059 -0.883 0.000 1.278 162 L HN 0.845 nan 8.230 nan 0.000 0.436 163 H N 4.659 123.071 119.070 -1.097 0.000 3.046 163 H HA 0.427 4.983 4.556 -0.000 0.000 0.303 163 H C 1.267 176.271 175.328 -0.540 0.000 1.002 163 H CA 1.207 56.818 56.048 -0.728 0.000 1.460 163 H CB 0.500 29.955 29.762 -0.512 0.000 1.493 163 H HN 0.905 nan 8.280 nan 0.000 0.559 164 G N 2.642 111.085 108.800 -0.596 0.000 2.254 164 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.225 164 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.225 164 G C 0.456 174.437 174.900 -1.532 0.000 1.003 164 G CA -0.118 44.541 45.100 -0.735 0.000 0.622 164 G HN 1.000 nan 8.290 nan 0.000 0.507 165 A N 0.621 122.372 122.820 -1.783 0.000 2.540 165 A HA 0.504 4.824 4.320 -0.000 0.000 0.239 165 A C 0.618 177.721 177.584 -0.801 0.000 1.061 165 A CA 1.148 52.074 52.037 -1.852 0.000 0.758 165 A CB 0.248 18.605 19.000 -1.071 0.000 0.991 165 A HN 0.709 nan 8.150 nan 0.000 0.502 166 Q N 1.325 120.831 119.800 -0.490 0.000 2.337 166 Q HA 0.449 4.789 4.340 -0.000 0.000 0.255 166 Q C -0.365 175.638 176.000 0.005 0.000 0.997 166 Q CA 0.210 55.948 55.803 -0.108 0.000 0.925 166 Q CB 0.492 29.283 28.738 0.089 0.000 1.212 166 Q HN 0.855 nan 8.270 nan 0.000 0.436 167 T N 1.613 116.202 114.554 0.059 0.000 2.831 167 T HA 0.467 4.816 4.350 -0.000 0.000 0.333 167 T C -0.552 174.311 174.700 0.271 0.000 1.684 167 T CA -0.059 62.130 62.100 0.148 0.000 1.049 167 T CB 0.823 69.806 68.868 0.191 0.000 1.518 167 T HN 0.702 nan 8.240 nan 0.000 0.491 168 G N 0.425 109.355 108.800 0.217 0.000 2.614 168 G HA2 0.417 4.377 3.960 -0.000 0.000 0.239 168 G HA3 0.417 4.377 3.960 -0.000 0.000 0.239 168 G C 1.350 176.327 174.900 0.128 0.000 1.240 168 G CA 0.191 45.441 45.100 0.251 0.000 0.842 168 G HN 1.158 nan 8.290 nan 0.000 0.584 169 G N 0.215 108.865 108.800 -0.249 0.000 2.462 169 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.220 169 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.220 169 G C 1.663 176.421 174.900 -0.236 0.000 1.121 169 G CA 1.300 46.018 45.100 -0.636 0.000 0.758 169 G HN 0.966 nan 8.290 nan 0.000 0.559 170 G N 0.298 109.019 108.800 -0.132 0.000 2.534 170 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 170 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 170 G C 1.510 176.387 174.900 -0.037 0.000 1.128 170 G CA 0.714 45.766 45.100 -0.080 0.000 0.784 170 G HN 0.458 nan 8.290 nan 0.000 0.542 171 N N 0.195 118.884 118.700 -0.018 0.000 2.294 171 N HA 0.008 4.748 4.740 -0.000 0.000 0.186 171 N C 1.071 176.628 175.510 0.078 0.000 1.107 171 N CA 0.302 53.336 53.050 -0.027 0.000 0.884 171 N CB 0.246 38.664 38.487 -0.115 0.000 1.030 171 N HN 0.171 nan 8.380 nan 0.000 0.482 172 D N 0.656 121.129 120.400 0.122 0.000 2.310 172 D HA 0.017 4.657 4.640 -0.000 0.000 0.212 172 D C 0.623 177.064 176.300 0.235 0.000 0.965 172 D CA 0.814 54.957 54.000 0.239 0.000 0.879 172 D CB -0.046 40.939 40.800 0.308 0.000 0.921 172 D HN 0.352 nan 8.370 nan 0.000 0.510 173 G N 0.324 109.186 108.800 0.104 0.000 2.414 173 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.256 173 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.256 173 G C -0.177 174.671 174.900 -0.088 0.000 1.128 173 G CA -0.179 44.923 45.100 0.003 0.000 0.944 173 G HN 0.322 nan 8.290 nan 0.000 0.500 174 W N 0.999 122.186 121.300 -0.189 0.000 2.417 174 W HA 0.333 4.993 4.660 -0.000 0.000 0.332 174 W C 1.009 177.384 176.519 -0.241 0.000 1.413 174 W CA 0.190 57.401 57.345 -0.224 0.000 1.299 174 W CB 0.480 29.846 29.460 -0.157 0.000 1.304 174 W HN 0.662 nan 8.180 nan 0.000 0.565 175 A N 4.888 127.138 122.820 -0.951 0.000 1.927 175 A HA -0.315 4.004 4.320 -0.000 0.000 0.220 175 A C 1.754 179.062 177.584 -0.459 0.000 1.185 175 A CA 2.296 53.912 52.037 -0.701 0.000 0.639 175 A CB -0.556 17.981 19.000 -0.772 0.000 0.820 175 A HN 0.712 nan 8.150 nan 0.000 0.451 176 D N -0.149 120.026 120.400 -0.376 0.000 2.182 176 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 176 D C 0.798 177.181 176.300 0.138 0.000 0.986 176 D CA 1.145 55.198 54.000 0.089 0.000 0.847 176 D CB -0.596 40.451 40.800 0.412 0.000 0.942 176 D HN 0.679 nan 8.370 nan 0.000 0.467 177 N N 0.524 119.285 118.700 0.101 0.000 2.484 177 N HA 0.243 4.983 4.740 -0.000 0.000 0.245 177 N C -0.025 175.407 175.510 -0.129 0.000 1.184 177 N CA -0.579 52.516 53.050 0.075 0.000 0.884 177 N CB 0.518 39.087 38.487 0.138 0.000 1.182 177 N HN 0.045 nan 8.380 nan 0.000 0.493 178 A N 0.810 123.347 122.820 -0.471 0.000 2.406 178 A HA 0.378 4.697 4.320 -0.000 0.000 0.243 178 A C 0.474 177.795 177.584 -0.438 0.000 1.082 178 A CA -0.297 51.251 52.037 -0.815 0.000 0.786 178 A CB 0.360 18.221 19.000 -1.898 0.000 1.029 178 A HN 0.131 nan 8.150 nan 0.000 0.495 179 V N -0.730 119.032 119.914 -0.253 0.000 2.914 179 V HA 0.924 5.043 4.120 -0.000 0.000 0.314 179 V C 0.439 176.632 176.094 0.165 0.000 1.084 179 V CA -0.106 62.227 62.300 0.054 0.000 0.963 179 V CB 1.266 33.112 31.823 0.038 0.000 1.025 179 V HN 1.351 nan 8.190 nan 0.000 0.432 180 G N 0.729 109.682 108.800 0.255 0.000 2.557 180 G HA2 0.521 4.481 3.960 -0.000 0.000 0.302 180 G HA3 0.521 4.481 3.960 -0.000 0.000 0.302 180 G C -0.664 174.329 174.900 0.154 0.000 1.311 180 G CA -0.970 44.284 45.100 0.256 0.000 1.030 180 G HN 0.971 nan 8.290 nan 0.000 0.509 181 F N 0.661 120.635 119.950 0.039 0.000 2.579 181 F HA 0.298 4.825 4.527 -0.000 0.000 0.397 181 F C 1.489 177.298 175.800 0.014 0.000 1.027 181 F CA 1.661 59.661 58.000 0.000 0.000 1.217 181 F CB 0.290 39.286 39.000 -0.007 0.000 0.986 181 F HN 1.074 nan 8.300 nan 0.000 0.551 182 G N 3.450 111.733 108.800 -0.862 0.000 2.241 182 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 182 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 182 G C -0.101 174.633 174.900 -0.278 0.000 0.998 182 G CA 0.138 44.821 45.100 -0.695 0.000 0.621 182 G HN 0.673 nan 8.290 nan 0.000 0.519 183 D N 0.951 121.260 120.400 -0.153 0.000 2.229 183 D HA 0.706 5.346 4.640 -0.000 0.000 0.249 183 D C 0.477 176.757 176.300 -0.034 0.000 1.027 183 D CA 0.703 54.668 54.000 -0.057 0.000 0.923 183 D CB 1.629 42.432 40.800 0.005 0.000 1.174 183 D HN 0.700 nan 8.370 nan 0.000 0.443 184 A N 1.046 123.861 122.820 -0.009 0.000 2.337 184 A HA 0.430 4.750 4.320 -0.000 0.000 0.331 184 A C -0.480 177.138 177.584 0.056 0.000 1.137 184 A CA -0.708 51.345 52.037 0.026 0.000 0.807 184 A CB 1.492 20.496 19.000 0.006 0.000 1.250 184 A HN 0.468 nan 8.150 nan 0.000 0.468 185 Q N 1.705 121.576 119.800 0.119 0.000 2.290 185 Q HA 0.588 4.928 4.340 -0.000 0.000 0.259 185 Q C -1.722 174.382 176.000 0.175 0.000 0.941 185 Q CA -0.362 55.525 55.803 0.140 0.000 0.912 185 Q CB 0.777 29.614 28.738 0.165 0.000 1.244 185 Q HN 0.703 nan 8.270 nan 0.000 0.441 186 L N 2.632 123.908 121.223 0.088 0.000 2.307 186 L HA 0.501 4.841 4.340 -0.000 0.000 0.284 186 L C -0.528 176.346 176.870 0.007 0.000 1.023 186 L CA -0.619 54.235 54.840 0.024 0.000 0.810 186 L CB 1.902 43.946 42.059 -0.024 0.000 1.231 186 L HN 0.576 nan 8.230 nan 0.000 0.423 187 S N 1.772 117.431 115.700 -0.069 0.000 2.561 187 S HA 0.310 4.780 4.470 -0.000 0.000 0.303 187 S C -0.700 173.594 174.600 -0.509 0.000 1.110 187 S CA -0.713 57.326 58.200 -0.269 0.000 1.034 187 S CB 2.014 65.084 63.200 -0.216 0.000 1.010 187 S HN 0.603 nan 8.310 nan 0.000 0.482 188 E N 2.102 122.038 120.200 -0.440 0.000 2.249 188 E HA 0.343 4.693 4.350 -0.000 0.000 0.280 188 E C -1.617 174.684 176.600 -0.499 0.000 1.016 188 E CA -0.513 55.674 56.400 -0.355 0.000 0.830 188 E CB 0.581 30.199 29.700 -0.137 0.000 1.081 188 E HN 0.600 nan 8.360 nan 0.000 0.395 189 Y N 4.758 125.115 120.300 0.095 0.000 2.447 189 Y HA 0.279 4.829 4.550 -0.000 0.000 0.325 189 Y C -1.993 173.996 175.900 0.148 0.000 0.976 189 Y CA -2.573 55.603 58.100 0.127 0.000 1.280 189 Y CB 1.615 40.187 38.460 0.187 0.000 1.104 189 Y HN 0.574 nan 8.280 nan 0.000 0.486 190 P HA -0.146 nan 4.420 nan 0.000 0.220 190 P C -0.419 177.023 177.300 0.237 0.000 1.148 190 P CA 1.392 64.606 63.100 0.191 0.000 0.803 190 P CB 0.140 31.925 31.700 0.142 0.000 0.782 191 N N -2.272 116.632 118.700 0.340 0.000 2.725 191 N HA -0.204 4.535 4.740 -0.000 0.000 0.249 191 N C -0.465 175.209 175.510 0.273 0.000 1.103 191 N CA 0.351 53.627 53.050 0.376 0.000 0.707 191 N CB -1.761 36.911 38.487 0.308 0.000 1.043 191 N HN 0.209 nan 8.380 nan 0.000 0.553 192 D N 0.558 121.109 120.400 0.253 0.000 2.713 192 D HA 0.072 4.711 4.640 -0.000 0.000 0.229 192 D C -0.614 175.822 176.300 0.227 0.000 1.136 192 D CA 0.401 54.509 54.000 0.179 0.000 1.010 192 D CB -0.022 40.848 40.800 0.117 0.000 1.084 192 D HN 0.356 nan 8.370 nan 0.000 0.495 193 H N 1.014 120.147 119.070 0.105 0.000 2.996 193 H HA 0.166 4.721 4.556 -0.000 0.000 0.368 193 H C -0.688 174.627 175.328 -0.021 0.000 1.185 193 H CA -0.695 55.402 56.048 0.082 0.000 1.160 193 H CB 1.644 31.562 29.762 0.259 0.000 1.820 193 H HN 0.307 nan 8.280 nan 0.000 0.547 194 Q N 2.086 121.714 119.800 -0.288 0.000 2.428 194 Q HA 0.371 4.711 4.340 -0.000 0.000 0.276 194 Q C -0.258 175.744 176.000 0.002 0.000 1.059 194 Q CA -0.211 55.505 55.803 -0.146 0.000 0.923 194 Q CB 0.649 29.250 28.738 -0.227 0.000 1.283 194 Q HN 0.564 nan 8.270 nan 0.000 0.447 195 A N 1.898 124.698 122.820 -0.033 0.000 2.584 195 A HA 0.243 4.563 4.320 -0.000 0.000 0.239 195 A C 0.243 177.799 177.584 -0.046 0.000 1.043 195 A CA 1.159 53.163 52.037 -0.055 0.000 0.756 195 A CB -0.072 18.906 19.000 -0.036 0.000 0.963 195 A HN 0.804 nan 8.150 nan 0.000 0.511 196 T N 0.605 115.073 114.554 -0.143 0.000 2.663 196 T HA 0.397 4.747 4.350 -0.000 0.000 0.305 196 T C -1.513 173.064 174.700 -0.206 0.000 1.660 196 T CA -0.411 61.611 62.100 -0.131 0.000 0.976 196 T CB 0.936 69.760 68.868 -0.074 0.000 1.705 196 T HN 0.903 nan 8.240 nan 0.000 0.494 197 Q N 1.533 121.280 119.800 -0.089 0.000 2.372 197 Q HA 0.450 4.790 4.340 -0.000 0.000 0.259 197 Q C -1.206 174.895 176.000 0.168 0.000 0.993 197 Q CA -0.711 55.101 55.803 0.015 0.000 0.854 197 Q CB 0.579 29.351 28.738 0.058 0.000 1.231 197 Q HN 0.502 nan 8.270 nan 0.000 0.462 198 W N 3.988 125.395 121.300 0.178 0.000 2.367 198 W HA 0.534 5.193 4.660 -0.001 0.000 0.369 198 W C -0.147 176.574 176.519 0.336 0.000 1.276 198 W CA -0.910 56.543 57.345 0.181 0.000 1.415 198 W CB 0.876 30.313 29.460 -0.038 0.000 1.306 198 W HN 0.638 nan 8.180 nan 0.000 0.669 199 W N 1.541 122.982 121.300 0.236 0.000 3.075 199 W HA 0.558 5.218 4.660 -0.000 0.000 0.334 199 W C -2.203 174.380 176.519 0.107 0.000 1.243 199 W CA -2.182 55.249 57.345 0.143 0.000 1.170 199 W CB -0.030 29.460 29.460 0.050 0.000 1.452 199 W HN 0.531 nan 8.180 nan 0.000 0.572 200 Y N 0.492 120.732 120.300 -0.100 0.000 2.477 200 Y HA 0.772 5.322 4.550 -0.000 0.000 0.347 200 Y C -0.791 174.913 175.900 -0.327 0.000 0.981 200 Y CA -1.207 56.612 58.100 -0.469 0.000 1.033 200 Y CB 1.529 39.718 38.460 -0.452 0.000 1.245 200 Y HN 0.730 nan 8.280 nan 0.000 0.455 201 H N -1.096 117.813 119.070 -0.269 0.000 2.948 201 H HA 0.368 4.924 4.556 -0.000 0.000 0.315 201 H C -1.638 173.708 175.328 0.029 0.000 1.360 201 H CA -1.216 54.798 56.048 -0.057 0.000 1.125 201 H CB 1.159 30.756 29.762 -0.274 0.000 1.844 201 H HN 0.788 nan 8.280 nan 0.000 0.529 202 D N -0.423 120.141 120.400 0.274 0.000 2.382 202 D HA -0.035 4.605 4.640 -0.000 0.000 0.240 202 D C -0.321 176.078 176.300 0.165 0.000 1.146 202 D CA 0.242 54.331 54.000 0.149 0.000 0.897 202 D CB 0.539 41.417 40.800 0.132 0.000 1.197 202 D HN 0.745 nan 8.370 nan 0.000 0.432 203 H N 1.255 120.282 119.070 -0.071 0.000 2.865 203 H HA 0.280 4.835 4.556 -0.000 0.000 0.247 203 H C -0.730 174.449 175.328 -0.248 0.000 1.181 203 H CA -0.278 55.686 56.048 -0.139 0.000 0.975 203 H CB 0.305 29.954 29.762 -0.188 0.000 1.899 203 H HN 0.451 nan 8.280 nan 0.000 0.651 204 A N 1.416 124.178 122.820 -0.098 0.000 2.511 204 A HA 0.181 4.500 4.320 -0.000 0.000 0.242 204 A C 0.720 178.224 177.584 -0.132 0.000 1.069 204 A CA -0.356 51.522 52.037 -0.266 0.000 0.763 204 A CB -0.083 18.722 19.000 -0.325 0.000 1.001 204 A HN 0.421 nan 8.150 nan 0.000 0.498 205 M N 3.283 122.799 119.600 -0.139 0.000 2.408 205 M HA 0.026 4.506 4.480 -0.000 0.000 0.363 205 M C 0.652 176.993 176.300 0.067 0.000 1.636 205 M CA 1.097 56.357 55.300 -0.067 0.000 1.029 205 M CB -1.101 31.509 32.600 0.016 0.000 2.068 205 M HN 0.865 nan 8.290 nan 0.000 0.466 206 N N 2.465 121.122 118.700 -0.073 0.000 2.941 206 N HA -0.239 4.501 4.740 -0.000 0.000 0.201 206 N C 0.281 175.766 175.510 -0.043 0.000 0.944 206 N CA 1.911 54.933 53.050 -0.046 0.000 1.027 206 N CB -1.560 36.959 38.487 0.053 0.000 0.992 206 N HN 0.858 nan 8.380 nan 0.000 0.585 207 I N -3.904 116.680 120.570 0.024 0.000 3.966 207 I HA 0.360 4.530 4.170 -0.000 0.000 0.324 207 I C 0.973 177.082 176.117 -0.013 0.000 1.517 207 I CA -0.251 61.112 61.300 0.104 0.000 1.117 207 I CB 0.526 38.748 38.000 0.370 0.000 1.190 207 I HN -0.230 nan 8.210 nan 0.000 0.466 208 T N 2.103 116.565 114.554 -0.154 0.000 2.833 208 T HA -0.137 4.212 4.350 -0.000 0.000 0.269 208 T C 2.005 176.552 174.700 -0.255 0.000 1.054 208 T CA 2.069 64.065 62.100 -0.173 0.000 1.135 208 T CB -0.298 68.410 68.868 -0.267 0.000 0.869 208 T HN 0.597 nan 8.240 nan 0.000 0.466 209 R N -0.123 120.093 120.500 -0.473 0.000 2.148 209 R HA -0.058 4.281 4.340 -0.000 0.000 0.227 209 R C 1.868 177.796 176.300 -0.620 0.000 1.103 209 R CA 1.082 56.813 56.100 -0.616 0.000 0.983 209 R CB -0.402 29.369 30.300 -0.883 0.000 0.874 209 R HN 0.414 nan 8.270 nan 0.000 0.451 210 W N 1.324 122.489 121.300 -0.225 0.000 2.526 210 W HA 0.151 4.811 4.660 -0.000 0.000 0.294 210 W C 1.650 178.152 176.519 -0.029 0.000 1.181 210 W CA -0.120 57.140 57.345 -0.142 0.000 1.373 210 W CB -0.972 28.466 29.460 -0.037 0.000 1.112 210 W HN 0.130 nan 8.180 nan 0.000 0.545 211 N N 0.753 119.606 118.700 0.255 0.000 2.120 211 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 211 N C 1.819 177.400 175.510 0.118 0.000 1.024 211 N CA 1.523 54.705 53.050 0.220 0.000 0.852 211 N CB -0.850 37.791 38.487 0.257 0.000 1.003 211 N HN -0.134 nan 8.380 nan 0.000 0.424 212 V N 1.480 121.430 119.914 0.060 0.000 2.261 212 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 212 V C 2.347 178.465 176.094 0.040 0.000 1.047 212 V CA 1.607 63.950 62.300 0.070 0.000 1.015 212 V CB -0.517 31.284 31.823 -0.036 0.000 0.642 212 V HN 0.336 nan 8.190 nan 0.000 0.446 213 M N 0.518 120.082 119.600 -0.060 0.000 2.267 213 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 213 M C 1.903 178.161 176.300 -0.070 0.000 1.063 213 M CA 2.002 57.238 55.300 -0.106 0.000 1.090 213 M CB -0.287 32.210 32.600 -0.171 0.000 1.392 213 M HN 0.312 nan 8.290 nan 0.000 0.422 214 A N -0.412 122.351 122.820 -0.095 0.000 2.172 214 A HA 0.224 4.544 4.320 -0.000 0.000 0.216 214 A C 1.738 179.280 177.584 -0.070 0.000 1.154 214 A CA 1.134 53.031 52.037 -0.234 0.000 0.701 214 A CB -0.785 17.916 19.000 -0.499 0.000 0.789 214 A HN 0.844 nan 8.150 nan 0.000 0.465 215 G N -2.041 106.835 108.800 0.127 0.000 2.227 215 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.168 215 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.168 215 G C 0.139 175.178 174.900 0.230 0.000 1.006 215 G CA -0.099 45.138 45.100 0.227 0.000 0.684 215 G HN 0.338 nan 8.290 nan 0.000 0.489 216 L N 2.092 123.470 121.223 0.257 0.000 2.391 216 L HA 0.515 4.855 4.340 -0.000 0.000 0.249 216 L C 0.281 177.518 176.870 0.613 0.000 1.308 216 L CA -0.634 54.314 54.840 0.180 0.000 1.209 216 L CB -0.847 41.198 42.059 -0.024 0.000 1.401 216 L HN 0.442 nan 8.230 nan 0.000 0.416 217 Y N -0.990 119.546 120.300 0.394 0.000 2.571 217 Y HA 0.919 5.468 4.550 -0.000 0.000 0.341 217 Y C -0.123 175.773 175.900 -0.005 0.000 1.076 217 Y CA -1.088 57.166 58.100 0.256 0.000 1.029 217 Y CB 1.668 40.339 38.460 0.352 0.000 1.308 217 Y HN 0.101 nan 8.280 nan 0.000 0.461 218 G N 0.328 108.844 108.800 -0.473 0.000 2.600 218 G HA2 0.575 4.534 3.960 -0.000 0.000 0.293 218 G HA3 0.575 4.534 3.960 -0.000 0.000 0.293 218 G C -1.738 172.926 174.900 -0.394 0.000 1.408 218 G CA -0.938 43.763 45.100 -0.666 0.000 0.782 218 G HN 0.719 nan 8.290 nan 0.000 0.482 219 T N -0.954 113.602 114.554 0.004 0.000 2.940 219 T HA 0.661 5.011 4.350 -0.000 0.000 0.288 219 T C -1.730 173.251 174.700 0.468 0.000 1.045 219 T CA -0.348 61.921 62.100 0.281 0.000 1.018 219 T CB 1.995 70.990 68.868 0.212 0.000 1.151 219 T HN 0.653 nan 8.240 nan 0.000 0.529 220 Y N 1.147 121.616 120.300 0.281 0.000 2.298 220 Y HA 0.514 5.064 4.550 -0.000 0.000 0.322 220 Y C -2.022 173.937 175.900 0.099 0.000 1.138 220 Y CA -1.143 57.098 58.100 0.235 0.000 1.127 220 Y CB 0.725 39.382 38.460 0.328 0.000 1.178 220 Y HN 0.524 nan 8.280 nan 0.000 0.428 221 L N 7.068 128.328 121.223 0.062 0.000 2.296 221 L HA 0.678 5.018 4.340 -0.000 0.000 0.286 221 L C -0.678 176.111 176.870 -0.136 0.000 1.023 221 L CA -1.276 53.548 54.840 -0.027 0.000 0.812 221 L CB 1.485 43.526 42.059 -0.029 0.000 1.223 221 L HN 0.337 nan 8.230 nan 0.000 0.421 222 V N 3.711 123.511 119.914 -0.189 0.000 2.481 222 V HA 0.521 4.641 4.120 -0.000 0.000 0.286 222 V C 0.138 176.151 176.094 -0.134 0.000 1.042 222 V CA -0.776 61.404 62.300 -0.200 0.000 0.928 222 V CB 1.518 33.126 31.823 -0.359 0.000 0.986 222 V HN 0.645 nan 8.190 nan 0.000 0.462 223 R N 3.202 123.647 120.500 -0.092 0.000 2.778 223 R HA 0.727 5.067 4.340 -0.000 0.000 0.277 223 R C -1.051 175.223 176.300 -0.044 0.000 0.977 223 R CA -0.750 55.314 56.100 -0.061 0.000 0.950 223 R CB 2.029 32.297 30.300 -0.052 0.000 1.165 223 R HN 1.017 nan 8.270 nan 0.000 0.474 224 D N -1.555 118.826 120.400 -0.032 0.000 2.643 224 D HA 0.174 4.814 4.640 -0.000 0.000 0.283 224 D C -0.260 176.030 176.300 -0.017 0.000 1.242 224 D CA -0.591 53.396 54.000 -0.023 0.000 0.863 224 D CB 0.463 41.249 40.800 -0.024 0.000 1.382 224 D HN 0.124 nan 8.370 nan 0.000 0.444 225 D N -0.288 120.104 120.400 -0.013 0.000 2.218 225 D HA -0.138 4.501 4.640 -0.000 0.000 0.204 225 D C 1.317 177.612 176.300 -0.009 0.000 0.976 225 D CA 1.059 55.053 54.000 -0.011 0.000 0.853 225 D CB 0.223 41.017 40.800 -0.009 0.000 0.939 225 D HN 0.672 nan 8.370 nan 0.000 0.481 226 E N 0.770 120.966 120.200 -0.007 0.000 2.046 226 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 226 E C 1.917 178.517 176.600 0.000 0.000 0.982 226 E CA 0.612 57.011 56.400 -0.002 0.000 0.800 226 E CB 0.124 29.827 29.700 0.005 0.000 0.756 226 E HN 0.220 nan 8.360 nan 0.000 0.449 227 E N 0.221 120.420 120.200 -0.001 0.000 2.110 227 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 227 E C 1.478 178.076 176.600 -0.003 0.000 0.988 227 E CA 1.443 57.843 56.400 0.000 0.000 0.804 227 E CB 0.048 29.745 29.700 -0.005 0.000 0.745 227 E HN 0.251 nan 8.360 nan 0.000 0.458 228 D N 0.417 120.812 120.400 -0.008 0.000 2.123 228 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 228 D C 1.723 178.020 176.300 -0.005 0.000 0.992 228 D CA 1.401 55.395 54.000 -0.009 0.000 0.833 228 D CB -0.384 40.408 40.800 -0.012 0.000 0.954 228 D HN 0.285 nan 8.370 nan 0.000 0.455 229 A N 0.125 122.941 122.820 -0.007 0.000 2.225 229 A HA -0.060 4.259 4.320 -0.000 0.000 0.215 229 A C 2.110 179.687 177.584 -0.011 0.000 1.164 229 A CA 0.554 52.585 52.037 -0.010 0.000 0.710 229 A CB -0.601 18.392 19.000 -0.012 0.000 0.780 229 A HN 0.240 nan 8.150 nan 0.000 0.473 230 L N -1.146 120.078 121.223 0.001 0.000 2.492 230 L HA 0.126 4.466 4.340 -0.000 0.000 0.223 230 L C 1.622 178.531 176.870 0.065 0.000 1.132 230 L CA 0.420 55.267 54.840 0.013 0.000 0.850 230 L CB -0.338 41.737 42.059 0.027 0.000 0.966 230 L HN 0.531 nan 8.230 nan 0.000 0.454 231 G N 1.594 110.423 108.800 0.048 0.000 2.395 231 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.300 231 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.300 231 G C 0.181 175.154 174.900 0.121 0.000 0.998 231 G CA 0.012 45.152 45.100 0.067 0.000 1.046 231 G HN 0.246 nan 8.290 nan 0.000 0.513 232 L N -0.028 121.214 121.223 0.031 0.000 2.452 232 L HA 0.293 4.633 4.340 -0.000 0.000 0.267 232 L C -1.235 175.479 176.870 -0.260 0.000 1.188 232 L CA -1.935 52.815 54.840 -0.150 0.000 0.821 232 L CB 0.158 42.160 42.059 -0.096 0.000 1.102 232 L HN 0.010 nan 8.230 nan 0.000 0.470 233 P HA 0.003 nan 4.420 nan 0.000 0.264 233 P C -0.661 176.529 177.300 -0.184 0.000 1.183 233 P CA 0.130 63.038 63.100 -0.320 0.000 0.763 233 P CB 0.659 32.151 31.700 -0.347 0.000 0.807 234 S N 0.935 116.550 115.700 -0.143 0.000 2.911 234 S HA 0.797 5.267 4.470 -0.000 0.000 0.319 234 S C 0.694 175.250 174.600 -0.072 0.000 1.154 234 S CA -0.079 58.069 58.200 -0.086 0.000 0.857 234 S CB 1.056 64.218 63.200 -0.063 0.000 1.279 234 S HN 0.749 nan 8.310 nan 0.000 0.593 235 G N 1.478 110.255 108.800 -0.039 0.000 2.660 235 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.321 235 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.321 235 G C 0.364 175.261 174.900 -0.005 0.000 1.246 235 G CA 1.021 46.109 45.100 -0.020 0.000 1.000 235 G HN 0.808 nan 8.290 nan 0.000 0.550 236 D N 1.016 121.415 120.400 -0.001 0.000 2.228 236 D HA -0.073 4.567 4.640 -0.000 0.000 0.203 236 D C 2.515 178.833 176.300 0.030 0.000 0.988 236 D CA 1.295 55.316 54.000 0.035 0.000 0.864 236 D CB -0.081 40.738 40.800 0.032 0.000 0.928 236 D HN 0.432 nan 8.370 nan 0.000 0.469 237 R N 0.377 120.802 120.500 -0.126 0.000 2.334 237 R HA 0.153 4.493 4.340 -0.000 0.000 0.216 237 R C 0.472 176.712 176.300 -0.101 0.000 0.905 237 R CA -0.053 55.809 56.100 -0.397 0.000 1.064 237 R CB 0.329 30.260 30.300 -0.615 0.000 1.046 237 R HN 0.255 nan 8.270 nan 0.000 0.508 238 E N 1.554 121.757 120.200 0.005 0.000 2.113 238 E HA 0.341 4.691 4.350 -0.000 0.000 0.273 238 E C -0.936 175.735 176.600 0.118 0.000 0.924 238 E CA -0.324 56.113 56.400 0.061 0.000 0.764 238 E CB 0.764 30.473 29.700 0.014 0.000 1.104 238 E HN 0.033 nan 8.360 nan 0.000 0.406 239 I N 6.490 127.161 120.570 0.168 0.000 2.410 239 I HA 0.325 4.494 4.170 -0.000 0.000 0.286 239 I C -2.312 173.880 176.117 0.126 0.000 1.009 239 I CA -2.602 58.794 61.300 0.160 0.000 1.111 239 I CB 1.747 39.877 38.000 0.217 0.000 1.262 239 I HN 0.341 nan 8.210 nan 0.000 0.443 240 P HA 0.269 nan 4.420 nan 0.000 0.271 240 P C -0.956 176.391 177.300 0.078 0.000 1.216 240 P CA -0.063 63.087 63.100 0.082 0.000 0.771 240 P CB 0.598 32.342 31.700 0.073 0.000 0.864 241 L N 4.056 125.320 121.223 0.069 0.000 2.427 241 L HA 0.344 4.684 4.340 -0.000 0.000 0.264 241 L C -0.721 176.162 176.870 0.021 0.000 0.989 241 L CA -0.691 54.179 54.840 0.050 0.000 0.865 241 L CB 1.021 43.116 42.059 0.060 0.000 1.209 241 L HN 0.164 nan 8.230 nan 0.000 0.430 242 L N 5.330 126.577 121.223 0.040 0.000 2.259 242 L HA 0.458 4.798 4.340 -0.000 0.000 0.288 242 L C 0.235 177.125 176.870 0.033 0.000 1.051 242 L CA -0.010 54.857 54.840 0.046 0.000 0.824 242 L CB 0.851 43.030 42.059 0.200 0.000 1.206 242 L HN 0.440 nan 8.230 nan 0.000 0.429 243 I N 0.631 121.152 120.570 -0.080 0.000 2.498 243 I HA 0.979 5.148 4.170 -0.000 0.000 0.301 243 I C -0.320 175.735 176.117 -0.103 0.000 0.984 243 I CA -0.634 60.592 61.300 -0.123 0.000 1.204 243 I CB 1.951 39.764 38.000 -0.311 0.000 1.362 243 I HN 0.615 nan 8.210 nan 0.000 0.471 244 A N 4.533 127.343 122.820 -0.017 0.000 2.491 244 A HA 0.453 4.773 4.320 -0.000 0.000 0.293 244 A C -1.064 176.629 177.584 0.181 0.000 1.047 244 A CA -0.743 51.316 52.037 0.038 0.000 0.735 244 A CB 1.096 19.998 19.000 -0.165 0.000 1.281 244 A HN 0.883 nan 8.150 nan 0.000 0.398 245 D N 1.900 122.494 120.400 0.323 0.000 2.357 245 D HA 0.526 5.166 4.640 -0.000 0.000 0.242 245 D C -0.188 176.322 176.300 0.351 0.000 1.153 245 D CA -0.044 54.164 54.000 0.347 0.000 0.918 245 D CB 0.714 41.701 40.800 0.311 0.000 1.181 245 D HN 0.344 nan 8.370 nan 0.000 0.435 246 R N 0.859 121.579 120.500 0.367 0.000 2.740 246 R HA 0.454 4.794 4.340 -0.000 0.000 0.273 246 R C -0.788 175.818 176.300 0.510 0.000 0.998 246 R CA -0.831 55.499 56.100 0.384 0.000 0.900 246 R CB 1.491 31.896 30.300 0.175 0.000 1.223 246 R HN 0.563 nan 8.270 nan 0.000 0.466 247 N N 0.906 119.932 118.700 0.544 0.000 2.402 247 N HA 0.633 5.373 4.740 -0.000 0.000 0.294 247 N C -1.132 174.536 175.510 0.264 0.000 1.203 247 N CA -0.543 52.773 53.050 0.444 0.000 0.838 247 N CB 1.434 40.155 38.487 0.390 0.000 1.306 247 N HN 0.407 nan 8.380 nan 0.000 0.510 248 L N 0.499 121.849 121.223 0.213 0.000 2.388 248 L HA 0.403 4.743 4.340 -0.000 0.000 0.264 248 L C -0.316 176.601 176.870 0.078 0.000 0.998 248 L CA -0.970 53.904 54.840 0.057 0.000 0.817 248 L CB 2.041 44.027 42.059 -0.122 0.000 1.338 248 L HN 0.441 nan 8.230 nan 0.000 0.414 249 D N 0.590 121.015 120.400 0.042 0.000 2.354 249 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 249 D C -0.494 175.823 176.300 0.029 0.000 1.138 249 D CA 0.135 54.161 54.000 0.043 0.000 0.958 249 D CB 1.564 42.384 40.800 0.032 0.000 1.144 249 D HN 0.614 nan 8.370 nan 0.000 0.458 250 T N -1.198 113.377 114.554 0.034 0.000 2.916 250 T HA 0.475 4.824 4.350 -0.000 0.000 0.292 250 T C -0.285 174.429 174.700 0.023 0.000 1.064 250 T CA -1.029 61.088 62.100 0.028 0.000 1.011 250 T CB 1.564 70.455 68.868 0.039 0.000 1.152 250 T HN 0.086 nan 8.240 nan 0.000 0.510 251 D N 0.592 121.003 120.400 0.019 0.000 2.411 251 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 251 D C 1.538 177.848 176.300 0.018 0.000 1.201 251 D CA -0.630 53.380 54.000 0.017 0.000 0.996 251 D CB 0.708 41.516 40.800 0.013 0.000 1.101 251 D HN 0.707 nan 8.370 nan 0.000 0.504 252 E N 0.221 120.430 120.200 0.016 0.000 2.171 252 E HA -0.201 4.148 4.350 -0.000 0.000 0.197 252 E C 0.844 177.453 176.600 0.016 0.000 0.997 252 E CA 1.062 57.471 56.400 0.015 0.000 0.810 252 E CB 0.001 29.708 29.700 0.012 0.000 0.738 252 E HN 0.441 nan 8.360 nan 0.000 0.467 253 D N -0.932 119.477 120.400 0.015 0.000 2.340 253 D HA 0.027 4.667 4.640 -0.000 0.000 0.220 253 D C 1.323 177.634 176.300 0.019 0.000 1.039 253 D CA 0.766 54.775 54.000 0.015 0.000 0.866 253 D CB 0.507 41.315 40.800 0.013 0.000 0.913 253 D HN 0.239 nan 8.370 nan 0.000 0.523 254 G N 0.344 109.158 108.800 0.022 0.000 2.213 254 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 254 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 254 G C 0.327 175.244 174.900 0.029 0.000 0.992 254 G CA -0.304 44.813 45.100 0.029 0.000 0.632 254 G HN 0.360 nan 8.290 nan 0.000 0.511 255 R N 0.348 120.860 120.500 0.020 0.000 2.590 255 R HA 0.357 4.696 4.340 -0.000 0.000 0.274 255 R C 0.778 177.081 176.300 0.006 0.000 1.061 255 R CA -0.315 55.792 56.100 0.013 0.000 1.081 255 R CB 0.488 30.793 30.300 0.008 0.000 0.984 255 R HN 0.324 nan 8.270 nan 0.000 0.448 256 L N 3.777 124.994 121.223 -0.010 0.000 2.559 256 L HA -0.110 4.230 4.340 -0.000 0.000 0.274 256 L C 1.314 178.162 176.870 -0.037 0.000 1.205 256 L CA 0.266 55.081 54.840 -0.041 0.000 0.907 256 L CB 0.071 42.063 42.059 -0.111 0.000 1.153 256 L HN 0.728 nan 8.230 nan 0.000 0.490 257 N N 1.142 119.827 118.700 -0.026 0.000 2.184 257 N HA 0.138 4.877 4.740 -0.000 0.000 0.206 257 N C 0.943 176.451 175.510 -0.004 0.000 1.151 257 N CA 0.343 53.388 53.050 -0.008 0.000 0.878 257 N CB 1.109 39.601 38.487 0.009 0.000 1.014 257 N HN 0.720 nan 8.380 nan 0.000 0.512 258 G N 0.120 108.897 108.800 -0.039 0.000 2.195 258 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 258 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 258 G C -0.108 174.775 174.900 -0.028 0.000 0.984 258 G CA -0.144 44.932 45.100 -0.039 0.000 0.633 258 G HN 0.401 nan 8.290 nan 0.000 0.525 259 R N 0.387 120.878 120.500 -0.015 0.000 2.347 259 R HA 0.424 4.764 4.340 -0.000 0.000 0.304 259 R C 0.802 177.083 176.300 -0.031 0.000 1.072 259 R CA -0.470 55.617 56.100 -0.022 0.000 0.980 259 R CB 0.590 30.888 30.300 -0.003 0.000 0.986 259 R HN 0.292 nan 8.270 nan 0.000 0.448 260 L N 4.408 125.593 121.223 -0.063 0.000 2.559 260 L HA -0.000 4.340 4.340 -0.000 0.000 0.274 260 L C -0.116 176.756 176.870 0.003 0.000 1.205 260 L CA 0.154 54.965 54.840 -0.048 0.000 0.907 260 L CB 0.095 42.087 42.059 -0.112 0.000 1.153 260 L HN 0.358 nan 8.230 nan 0.000 0.490 261 L N 4.731 125.996 121.223 0.070 0.000 2.372 261 L HA 0.301 4.641 4.340 -0.000 0.000 0.273 261 L C -0.254 176.751 176.870 0.226 0.000 0.989 261 L CA -0.153 54.767 54.840 0.133 0.000 0.841 261 L CB 1.104 43.245 42.059 0.136 0.000 1.225 261 L HN 0.431 nan 8.230 nan 0.000 0.414 262 H N 5.675 124.821 119.070 0.126 0.000 2.820 262 H HA 0.254 4.810 4.556 -0.000 0.000 0.278 262 H C -1.045 174.469 175.328 0.310 0.000 1.142 262 H CA -0.253 55.909 56.048 0.190 0.000 1.346 262 H CB 0.675 30.580 29.762 0.238 0.000 1.438 262 H HN 0.622 nan 8.280 nan 0.000 0.473 263 K N 4.769 125.300 120.400 0.218 0.000 2.425 263 K HA 0.217 4.537 4.320 -0.000 0.000 0.259 263 K C -0.887 175.731 176.600 0.029 0.000 0.978 263 K CA -0.607 55.759 56.287 0.131 0.000 0.883 263 K CB 0.858 33.434 32.500 0.127 0.000 1.110 263 K HN 0.629 nan 8.250 nan 0.000 0.436 264 T N -0.540 114.038 114.554 0.040 0.000 2.940 264 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 264 T C -0.229 174.502 174.700 0.051 0.000 1.033 264 T CA -0.812 61.301 62.100 0.022 0.000 1.033 264 T CB 1.650 70.555 68.868 0.062 0.000 1.079 264 T HN 0.149 nan 8.240 nan 0.000 0.496 265 V N 2.437 122.381 119.914 0.050 0.000 2.427 265 V HA 0.400 4.520 4.120 -0.000 0.000 0.286 265 V C 0.205 176.339 176.094 0.066 0.000 1.034 265 V CA -0.956 61.374 62.300 0.050 0.000 0.893 265 V CB 1.097 32.941 31.823 0.035 0.000 0.982 265 V HN 0.831 nan 8.190 nan 0.000 0.452 266 I N 4.419 125.025 120.570 0.060 0.000 2.379 266 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 266 I C 0.807 176.955 176.117 0.052 0.000 1.063 266 I CA 0.389 61.728 61.300 0.064 0.000 1.351 266 I CB 1.459 39.493 38.000 0.057 0.000 1.410 266 I HN 0.461 nan 8.210 nan 0.000 0.505 267 V N 6.173 126.122 119.914 0.058 0.000 3.660 267 V HA 0.198 4.318 4.120 -0.000 0.000 0.276 267 V C 0.251 176.367 176.094 0.037 0.000 1.317 267 V CA 0.668 62.996 62.300 0.047 0.000 1.097 267 V CB 0.004 31.860 31.823 0.056 0.000 0.863 267 V HN 0.881 nan 8.190 nan 0.000 0.438 268 Q N -0.164 119.659 119.800 0.038 0.000 2.605 268 Q HA 0.198 4.538 4.340 -0.000 0.000 0.228 268 Q C 0.162 176.179 176.000 0.028 0.000 0.805 268 Q CA -0.246 55.573 55.803 0.027 0.000 0.894 268 Q CB 1.687 30.436 28.738 0.018 0.000 1.469 268 Q HN 0.253 nan 8.270 nan 0.000 0.445 269 Q N 1.002 120.817 119.800 0.025 0.000 2.096 269 Q HA 0.026 4.366 4.340 -0.000 0.000 0.204 269 Q C -0.210 175.805 176.000 0.025 0.000 0.982 269 Q CA 1.537 57.356 55.803 0.027 0.000 0.850 269 Q CB 0.348 29.099 28.738 0.022 0.000 0.901 269 Q HN 0.346 nan 8.270 nan 0.000 0.422 270 S N -0.057 115.653 115.700 0.018 0.000 2.737 270 S HA 0.353 4.823 4.470 -0.000 0.000 0.269 270 S C -1.417 173.187 174.600 0.006 0.000 1.150 270 S CA -0.854 57.355 58.200 0.014 0.000 1.077 270 S CB 0.265 63.474 63.200 0.014 0.000 1.075 270 S HN 0.406 nan 8.310 nan 0.000 0.476 271 N N 4.981 123.680 118.700 -0.002 0.000 2.475 271 N HA 0.309 5.049 4.740 -0.000 0.000 0.267 271 N C -1.644 173.862 175.510 -0.007 0.000 1.169 271 N CA -1.542 51.499 53.050 -0.016 0.000 0.947 271 N CB 1.055 39.514 38.487 -0.047 0.000 1.061 271 N HN 0.247 nan 8.380 nan 0.000 0.466 272 P HA -0.185 nan 4.420 nan 0.000 0.219 272 P C -0.053 177.249 177.300 0.003 0.000 1.145 272 P CA 1.505 64.606 63.100 0.001 0.000 0.813 272 P CB 0.242 31.944 31.700 0.002 0.000 0.771 273 E N -1.700 118.500 120.200 0.000 0.000 2.206 273 E HA 0.019 4.369 4.350 -0.000 0.000 0.195 273 E C 0.939 177.545 176.600 0.010 0.000 0.935 273 E CA 0.669 57.073 56.400 0.007 0.000 0.875 273 E CB -0.103 29.603 29.700 0.010 0.000 0.841 273 E HN 0.287 nan 8.360 nan 0.000 0.477 274 T N -2.373 112.185 114.554 0.006 0.000 2.897 274 T HA 0.377 4.727 4.350 -0.000 0.000 0.278 274 T C 1.399 176.108 174.700 0.016 0.000 0.981 274 T CA -0.287 61.822 62.100 0.017 0.000 0.973 274 T CB 1.431 70.312 68.868 0.023 0.000 1.092 274 T HN 0.048 nan 8.240 nan 0.000 0.543 275 G N 0.210 109.024 108.800 0.023 0.000 2.450 275 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.220 275 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.220 275 G C 0.484 175.398 174.900 0.024 0.000 1.130 275 G CA 0.544 45.657 45.100 0.022 0.000 0.760 275 G HN 0.695 nan 8.290 nan 0.000 0.557 276 K N 0.885 121.302 120.400 0.029 0.000 2.098 276 K HA 0.366 4.686 4.320 -0.000 0.000 0.257 276 K C -2.375 174.249 176.600 0.040 0.000 0.999 276 K CA -1.968 54.344 56.287 0.043 0.000 0.924 276 K CB 1.086 33.626 32.500 0.066 0.000 1.028 276 K HN -0.038 nan 8.250 nan 0.000 0.466 277 P HA 0.027 nan 4.420 nan 0.000 0.271 277 P C -0.819 176.533 177.300 0.086 0.000 1.218 277 P CA -0.264 62.873 63.100 0.062 0.000 0.780 277 P CB 0.679 32.421 31.700 0.070 0.000 0.901 278 V N 2.678 122.638 119.914 0.078 0.000 2.350 278 V HA 0.254 4.374 4.120 -0.000 0.000 0.285 278 V C 0.587 176.761 176.094 0.134 0.000 1.014 278 V CA -0.185 62.182 62.300 0.112 0.000 0.831 278 V CB 1.116 32.957 31.823 0.030 0.000 1.000 278 V HN 0.737 nan 8.190 nan 0.000 0.433 279 S N 5.809 121.614 115.700 0.176 0.000 2.681 279 S HA 0.817 5.287 4.470 -0.000 0.000 0.299 279 S C -0.154 174.546 174.600 0.167 0.000 1.113 279 S CA -0.813 57.476 58.200 0.149 0.000 1.013 279 S CB 2.014 65.298 63.200 0.141 0.000 1.076 279 S HN 0.700 nan 8.310 nan 0.000 0.534 280 I N -2.008 118.645 120.570 0.137 0.000 3.110 280 I HA 0.599 4.769 4.170 -0.000 0.000 0.314 280 I C -2.762 173.396 176.117 0.068 0.000 1.020 280 I CA -2.731 58.660 61.300 0.151 0.000 1.169 280 I CB -0.192 37.908 38.000 0.168 0.000 1.437 280 I HN 0.318 nan 8.210 nan 0.000 0.595 281 P HA 0.083 nan 4.420 nan 0.000 0.274 281 P C -1.102 175.913 177.300 -0.475 0.000 1.260 281 P CA -0.052 62.871 63.100 -0.295 0.000 0.793 281 P CB 0.229 31.633 31.700 -0.492 0.000 1.048 282 F N 1.255 120.794 119.950 -0.685 0.000 2.420 282 F HA 0.529 5.055 4.527 -0.000 0.000 0.352 282 F C -1.107 174.125 175.800 -0.948 0.000 1.108 282 F CA -0.053 57.553 58.000 -0.656 0.000 1.162 282 F CB -0.005 38.676 39.000 -0.531 0.000 1.118 282 F HN 0.053 nan 8.300 nan 0.000 0.510 283 F N 3.852 123.162 119.950 -1.067 0.000 2.565 283 F HA 0.731 5.258 4.527 -0.000 0.000 0.313 283 F C 0.278 175.355 175.800 -1.204 0.000 1.091 283 F CA -0.968 56.474 58.000 -0.930 0.000 0.915 283 F CB 1.957 40.678 39.000 -0.465 0.000 1.208 283 F HN 0.678 nan 8.300 nan 0.000 0.453 284 G N 1.201 109.602 108.800 -0.664 0.000 2.642 284 G HA2 0.615 4.575 3.960 -0.000 0.000 0.293 284 G HA3 0.615 4.575 3.960 -0.000 0.000 0.293 284 G C -2.728 172.113 174.900 -0.098 0.000 1.341 284 G CA -1.634 43.268 45.100 -0.331 0.000 0.916 284 G HN 0.298 nan 8.290 nan 0.000 0.474 285 P HA 0.099 nan 4.420 nan 0.000 0.235 285 P C -0.503 176.725 177.300 -0.119 0.000 1.177 285 P CA 0.422 63.404 63.100 -0.196 0.000 0.785 285 P CB 0.220 31.708 31.700 -0.353 0.000 0.885 286 Y N -0.314 120.112 120.300 0.211 0.000 2.323 286 Y HA 0.425 4.975 4.550 -0.000 0.000 0.331 286 Y C 0.908 176.852 175.900 0.072 0.000 1.092 286 Y CA -0.570 57.535 58.100 0.008 0.000 1.150 286 Y CB 0.834 39.097 38.460 -0.328 0.000 1.200 286 Y HN -0.363 nan 8.280 nan 0.000 0.472 287 T N 2.511 117.197 114.554 0.221 0.000 2.758 287 T HA 0.344 4.694 4.350 -0.000 0.000 0.285 287 T C -0.122 174.608 174.700 0.049 0.000 0.981 287 T CA -0.886 61.385 62.100 0.285 0.000 0.965 287 T CB 0.432 69.599 68.868 0.498 0.000 0.927 287 T HN 0.706 nan 8.240 nan 0.000 0.448 288 T N 0.392 114.982 114.554 0.060 0.000 2.829 288 T HA 0.685 5.035 4.350 -0.000 0.000 0.282 288 T C -0.368 174.355 174.700 0.039 0.000 0.990 288 T CA -0.739 61.376 62.100 0.025 0.000 1.028 288 T CB 0.956 69.853 68.868 0.048 0.000 0.951 288 T HN 0.260 nan 8.240 nan 0.000 0.460 289 V N 3.737 123.673 119.914 0.037 0.000 2.407 289 V HA 0.382 4.502 4.120 -0.000 0.000 0.291 289 V C -0.198 175.917 176.094 0.034 0.000 1.018 289 V CA -1.177 61.137 62.300 0.024 0.000 0.842 289 V CB 0.712 32.538 31.823 0.006 0.000 0.996 289 V HN 1.039 nan 8.190 nan 0.000 0.426 290 N N 3.793 122.531 118.700 0.062 0.000 2.714 290 N HA -0.207 4.533 4.740 -0.000 0.000 0.252 290 N C 1.171 176.706 175.510 0.043 0.000 1.014 290 N CA 1.587 54.670 53.050 0.055 0.000 0.735 290 N CB -1.123 37.379 38.487 0.025 0.000 0.924 290 N HN 1.622 nan 8.380 nan 0.000 0.540 291 G N -1.245 107.606 108.800 0.085 0.000 2.153 291 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.252 291 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.252 291 G C 0.016 174.930 174.900 0.023 0.000 0.994 291 G CA 0.607 45.744 45.100 0.062 0.000 0.698 291 G HN 0.632 nan 8.290 nan 0.000 0.521 292 R N -0.840 119.667 120.500 0.012 0.000 2.575 292 R HA 0.563 4.903 4.340 -0.000 0.000 0.293 292 R C 0.091 176.375 176.300 -0.028 0.000 0.983 292 R CA -1.039 55.054 56.100 -0.012 0.000 0.887 292 R CB 1.522 31.808 30.300 -0.023 0.000 1.184 292 R HN 0.197 nan 8.270 nan 0.000 0.445 293 I N 3.442 123.960 120.570 -0.087 0.000 2.533 293 I HA -0.050 4.120 4.170 -0.000 0.000 0.284 293 I C 0.063 176.146 176.117 -0.057 0.000 1.109 293 I CA 0.330 61.464 61.300 -0.276 0.000 1.412 293 I CB 0.261 37.927 38.000 -0.556 0.000 1.396 293 I HN 0.615 nan 8.210 nan 0.000 0.543 294 W N 5.495 126.842 121.300 0.078 0.000 6.562 294 W HA -0.160 4.500 4.660 -0.000 0.000 0.418 294 W C -2.286 174.343 176.519 0.183 0.000 1.645 294 W CA -0.845 56.543 57.345 0.071 0.000 1.086 294 W CB -2.442 26.919 29.460 -0.165 0.000 2.865 294 W HN 0.310 nan 8.180 nan 0.000 1.517 295 P HA 0.307 nan 4.420 nan 0.000 0.276 295 P C -0.417 176.992 177.300 0.181 0.000 1.261 295 P CA 0.007 63.192 63.100 0.142 0.000 0.800 295 P CB 0.938 32.612 31.700 -0.043 0.000 1.066 296 Y N -1.445 118.891 120.300 0.059 0.000 2.446 296 Y HA 0.786 5.336 4.550 -0.000 0.000 0.338 296 Y C -0.997 174.807 175.900 -0.160 0.000 1.055 296 Y CA -1.754 56.277 58.100 -0.115 0.000 1.101 296 Y CB 1.026 39.437 38.460 -0.083 0.000 1.221 296 Y HN 0.508 nan 8.280 nan 0.000 0.460 297 A N 2.810 125.532 122.820 -0.164 0.000 2.330 297 A HA 0.481 4.801 4.320 -0.000 0.000 0.313 297 A C -1.357 176.226 177.584 -0.001 0.000 1.124 297 A CA -0.868 51.085 52.037 -0.140 0.000 0.774 297 A CB 0.561 19.429 19.000 -0.220 0.000 1.198 297 A HN 0.779 nan 8.150 nan 0.000 0.465 298 D N 1.918 122.351 120.400 0.056 0.000 2.317 298 D HA 0.426 5.066 4.640 -0.000 0.000 0.252 298 D C 0.168 176.450 176.300 -0.029 0.000 1.174 298 D CA 0.427 54.447 54.000 0.034 0.000 0.866 298 D CB 1.534 42.382 40.800 0.080 0.000 1.127 298 D HN 0.542 nan 8.370 nan 0.000 0.467 299 V N -0.314 119.520 119.914 -0.134 0.000 3.040 299 V HA 0.573 4.692 4.120 -0.000 0.000 0.312 299 V C -0.237 175.809 176.094 -0.080 0.000 1.115 299 V CA -1.046 61.129 62.300 -0.209 0.000 0.998 299 V CB 2.490 33.887 31.823 -0.710 0.000 1.042 299 V HN 0.124 nan 8.190 nan 0.000 0.433 300 D N 1.795 122.295 120.400 0.167 0.000 2.348 300 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 300 D C -0.082 176.326 176.300 0.180 0.000 1.110 300 D CA 0.062 54.165 54.000 0.171 0.000 0.967 300 D CB 1.068 42.003 40.800 0.226 0.000 1.139 300 D HN 0.939 nan 8.370 nan 0.000 0.466 301 D N -0.041 120.431 120.400 0.120 0.000 2.767 301 D HA 0.212 4.852 4.640 -0.000 0.000 0.231 301 D C 0.400 176.802 176.300 0.171 0.000 1.105 301 D CA -0.496 53.583 54.000 0.131 0.000 1.024 301 D CB -0.332 40.506 40.800 0.063 0.000 1.123 301 D HN 0.310 nan 8.370 nan 0.000 0.470 302 G N -0.598 108.371 108.800 0.282 0.000 3.021 302 G HA2 0.456 4.416 3.960 -0.000 0.000 0.290 302 G HA3 0.456 4.416 3.960 -0.000 0.000 0.290 302 G C -1.539 173.506 174.900 0.242 0.000 1.291 302 G CA -1.228 44.002 45.100 0.217 0.000 0.834 302 G HN 0.184 nan 8.290 nan 0.000 0.564 303 W N -0.213 121.125 121.300 0.062 0.000 2.272 303 W HA 0.642 5.301 4.660 -0.000 0.000 0.318 303 W C -0.879 175.559 176.519 -0.136 0.000 1.255 303 W CA 0.126 57.442 57.345 -0.048 0.000 1.200 303 W CB 0.923 30.248 29.460 -0.225 0.000 1.170 303 W HN 0.278 nan 8.180 nan 0.000 0.549 304 Y N 1.449 121.802 120.300 0.088 0.000 2.536 304 Y HA 0.458 5.008 4.550 -0.000 0.000 0.347 304 Y C -0.079 175.833 175.900 0.021 0.000 1.000 304 Y CA -1.756 56.379 58.100 0.059 0.000 1.051 304 Y CB 2.020 40.553 38.460 0.121 0.000 1.259 304 Y HN 0.281 nan 8.280 nan 0.000 0.468 305 R N 3.470 124.050 120.500 0.134 0.000 2.343 305 R HA 0.671 5.011 4.340 -0.000 0.000 0.320 305 R C -2.013 174.373 176.300 0.143 0.000 0.956 305 R CA -0.395 55.759 56.100 0.089 0.000 0.836 305 R CB 0.528 30.830 30.300 0.003 0.000 1.151 305 R HN 0.751 nan 8.270 nan 0.000 0.450 306 L N 4.554 125.861 121.223 0.141 0.000 2.325 306 L HA 0.592 4.932 4.340 -0.000 0.000 0.278 306 L C 0.029 176.971 176.870 0.122 0.000 1.023 306 L CA -1.222 53.709 54.840 0.150 0.000 0.811 306 L CB 1.695 43.853 42.059 0.165 0.000 1.249 306 L HN 0.479 nan 8.230 nan 0.000 0.431 307 R N 3.944 124.509 120.500 0.109 0.000 2.332 307 R HA 0.384 4.724 4.340 -0.000 0.000 0.306 307 R C -0.969 175.383 176.300 0.086 0.000 1.117 307 R CA -0.580 55.575 56.100 0.091 0.000 1.108 307 R CB 1.146 31.489 30.300 0.072 0.000 1.126 307 R HN 0.435 nan 8.270 nan 0.000 0.548 308 L N 3.657 124.949 121.223 0.115 0.000 2.264 308 L HA 0.440 4.780 4.340 -0.000 0.000 0.289 308 L C -0.768 176.149 176.870 0.078 0.000 1.044 308 L CA -0.418 54.483 54.840 0.103 0.000 0.807 308 L CB 1.603 43.745 42.059 0.138 0.000 1.192 308 L HN 0.201 nan 8.230 nan 0.000 0.425 309 V N 6.594 126.471 119.914 -0.062 0.000 2.604 309 V HA 0.434 4.554 4.120 -0.000 0.000 0.305 309 V C -0.254 175.661 176.094 -0.298 0.000 1.043 309 V CA -0.848 61.303 62.300 -0.249 0.000 0.888 309 V CB 2.081 33.583 31.823 -0.535 0.000 0.995 309 V HN 0.883 nan 8.190 nan 0.000 0.429 310 N N 5.176 123.699 118.700 -0.295 0.000 2.415 310 N HA 0.402 5.142 4.740 -0.000 0.000 0.246 310 N C 0.392 175.613 175.510 -0.482 0.000 1.078 310 N CA 0.421 53.327 53.050 -0.239 0.000 0.942 310 N CB 1.581 40.049 38.487 -0.032 0.000 1.140 310 N HN 0.798 nan 8.380 nan 0.000 0.501 311 A N 2.470 125.013 122.820 -0.462 0.000 2.345 311 A HA 0.190 4.510 4.320 -0.000 0.000 0.225 311 A C 0.742 178.176 177.584 -0.249 0.000 1.243 311 A CA -0.321 51.395 52.037 -0.534 0.000 0.875 311 A CB -0.161 18.514 19.000 -0.541 0.000 0.929 311 A HN 0.549 nan 8.150 nan 0.000 0.502 312 S N 1.085 116.719 115.700 -0.109 0.000 2.559 312 S HA -0.035 4.435 4.470 -0.000 0.000 0.282 312 S C 1.136 175.738 174.600 0.003 0.000 1.336 312 S CA 0.124 58.329 58.200 0.008 0.000 1.037 312 S CB 0.299 63.575 63.200 0.125 0.000 0.853 312 S HN 0.621 nan 8.310 nan 0.000 0.523 313 N N 1.580 120.283 118.700 0.004 0.000 2.120 313 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 313 N C 1.160 176.645 175.510 -0.041 0.000 1.024 313 N CA 1.563 54.594 53.050 -0.031 0.000 0.852 313 N CB -0.102 38.357 38.487 -0.047 0.000 1.003 313 N HN 0.676 nan 8.380 nan 0.000 0.424 314 A N -1.303 121.475 122.820 -0.070 0.000 2.414 314 A HA 0.181 4.501 4.320 -0.000 0.000 0.165 314 A C 0.593 178.192 177.584 0.024 0.000 1.718 314 A CA -0.447 51.508 52.037 -0.138 0.000 1.268 314 A CB 0.062 18.775 19.000 -0.478 0.000 1.547 314 A HN 0.095 nan 8.150 nan 0.000 0.462 315 R N 1.095 121.622 120.500 0.045 0.000 2.522 315 R HA 0.285 4.625 4.340 -0.000 0.000 0.284 315 R C -0.939 175.359 176.300 -0.005 0.000 1.032 315 R CA 0.222 56.379 56.100 0.094 0.000 1.049 315 R CB 0.042 30.261 30.300 -0.136 0.000 0.956 315 R HN 0.392 nan 8.270 nan 0.000 0.422 316 I N 5.998 126.554 120.570 -0.023 0.000 2.301 316 I HA 0.086 4.256 4.170 -0.000 0.000 0.292 316 I C -0.452 175.600 176.117 -0.109 0.000 1.046 316 I CA -0.542 60.745 61.300 -0.020 0.000 1.282 316 I CB 0.453 38.459 38.000 0.010 0.000 1.409 316 I HN 0.533 nan 8.210 nan 0.000 0.484 317 Y N 5.011 125.314 120.300 0.005 0.000 2.442 317 Y HA 0.075 4.625 4.550 -0.000 0.000 0.330 317 Y C 0.429 176.304 175.900 -0.041 0.000 1.129 317 Y CA 0.176 58.266 58.100 -0.017 0.000 1.365 317 Y CB 0.337 38.781 38.460 -0.027 0.000 1.233 317 Y HN 0.495 nan 8.280 nan 0.000 0.529 318 N N 4.199 122.958 118.700 0.098 0.000 2.936 318 N HA 0.318 5.058 4.740 -0.000 0.000 0.243 318 N C -1.358 174.184 175.510 0.055 0.000 1.149 318 N CA -0.317 52.763 53.050 0.049 0.000 0.914 318 N CB 0.474 38.968 38.487 0.013 0.000 1.179 318 N HN 0.398 nan 8.380 nan 0.000 0.502 319 L N 1.411 122.662 121.223 0.047 0.000 2.397 319 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 319 L C -0.197 176.659 176.870 -0.023 0.000 1.148 319 L CA -0.548 54.306 54.840 0.023 0.000 0.825 319 L CB 0.786 42.840 42.059 -0.009 0.000 1.117 319 L HN 0.087 nan 8.230 nan 0.000 0.456 320 V N 3.872 123.678 119.914 -0.180 0.000 2.686 320 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 320 V C -0.545 175.208 176.094 -0.570 0.000 1.065 320 V CA -0.610 61.338 62.300 -0.587 0.000 0.894 320 V CB 2.302 33.871 31.823 -0.423 0.000 1.004 320 V HN 0.423 nan 8.190 nan 0.000 0.424 321 L N 6.994 127.651 121.223 -0.944 0.000 2.261 321 L HA 0.628 4.968 4.340 -0.000 0.000 0.289 321 L C -0.217 176.438 176.870 -0.358 0.000 1.059 321 L CA 0.349 54.949 54.840 -0.399 0.000 0.816 321 L CB 0.383 42.361 42.059 -0.137 0.000 1.191 321 L HN 0.657 nan 8.230 nan 0.000 0.431 322 I N 1.025 121.479 120.570 -0.192 0.000 2.863 322 I HA 0.692 4.862 4.170 -0.000 0.000 0.311 322 I C -0.532 175.547 176.117 -0.064 0.000 1.026 322 I CA -0.866 60.357 61.300 -0.128 0.000 1.077 322 I CB 1.861 39.795 38.000 -0.111 0.000 1.262 322 I HN 0.553 nan 8.210 nan 0.000 0.461 323 D N 2.231 122.603 120.400 -0.047 0.000 2.530 323 D HA 0.185 4.825 4.640 -0.000 0.000 0.282 323 D C 0.506 176.783 176.300 -0.037 0.000 1.204 323 D CA -0.219 53.761 54.000 -0.033 0.000 1.093 323 D CB 0.390 41.177 40.800 -0.022 0.000 1.154 323 D HN 0.645 nan 8.370 nan 0.000 0.593 324 E N -1.075 119.104 120.200 -0.034 0.000 2.347 324 E HA -0.023 4.326 4.350 -0.000 0.000 0.196 324 E C 0.330 176.915 176.600 -0.025 0.000 1.008 324 E CA 0.861 57.241 56.400 -0.033 0.000 0.852 324 E CB -0.050 29.631 29.700 -0.033 0.000 0.783 324 E HN 0.329 nan 8.360 nan 0.000 0.505 325 D N -0.070 120.315 120.400 -0.024 0.000 2.342 325 D HA 0.017 4.657 4.640 -0.000 0.000 0.221 325 D C -0.368 175.917 176.300 -0.025 0.000 1.101 325 D CA 0.144 54.132 54.000 -0.021 0.000 0.837 325 D CB 0.315 41.104 40.800 -0.018 0.000 0.938 325 D HN -0.046 nan 8.370 nan 0.000 0.508 326 D N -0.292 120.089 120.400 -0.031 0.000 3.028 326 D HA -0.218 4.422 4.640 -0.000 0.000 0.207 326 D C 0.458 176.731 176.300 -0.044 0.000 1.100 326 D CA 0.476 54.452 54.000 -0.039 0.000 0.995 326 D CB -1.112 39.667 40.800 -0.034 0.000 1.108 326 D HN 0.325 nan 8.370 nan 0.000 0.421 327 R N 1.085 121.564 120.500 -0.035 0.000 2.370 327 R HA 0.278 4.617 4.340 -0.000 0.000 0.309 327 R C -2.478 173.796 176.300 -0.043 0.000 1.059 327 R CA -1.092 54.990 56.100 -0.030 0.000 0.981 327 R CB 0.579 30.870 30.300 -0.016 0.000 0.972 327 R HN -0.152 nan 8.270 nan 0.000 0.437 328 P HA -0.076 nan 4.420 nan 0.000 0.266 328 P C -1.017 176.296 177.300 0.020 0.000 1.195 328 P CA -0.011 63.044 63.100 -0.075 0.000 0.768 328 P CB 0.647 32.342 31.700 -0.008 0.000 0.838 329 V N 5.922 125.863 119.914 0.045 0.000 2.318 329 V HA 0.280 4.400 4.120 -0.000 0.000 0.271 329 V C -1.716 174.487 176.094 0.181 0.000 1.030 329 V CA -1.628 60.724 62.300 0.087 0.000 0.844 329 V CB 0.759 32.609 31.823 0.044 0.000 1.015 329 V HN 0.577 nan 8.190 nan 0.000 0.460 330 P HA 0.365 nan 4.420 nan 0.000 0.279 330 P C 0.727 178.003 177.300 -0.040 0.000 1.252 330 P CA 0.271 63.390 63.100 0.032 0.000 0.811 330 P CB 1.394 33.102 31.700 0.014 0.000 1.035 331 G N -0.110 108.620 108.800 -0.116 0.000 2.160 331 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.251 331 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.251 331 G C 0.398 175.207 174.900 -0.152 0.000 1.008 331 G CA 0.168 45.195 45.100 -0.120 0.000 0.724 331 G HN 0.433 nan 8.290 nan 0.000 0.514 332 V N -1.242 118.536 119.914 -0.228 0.000 3.250 332 V HA 0.255 4.375 4.120 -0.000 0.000 0.240 332 V C 1.218 177.129 176.094 -0.304 0.000 1.275 332 V CA 1.059 63.212 62.300 -0.243 0.000 1.206 332 V CB 1.166 32.868 31.823 -0.201 0.000 0.976 332 V HN 0.229 nan 8.190 nan 0.000 0.467 333 V N 0.937 120.645 119.914 -0.344 0.000 2.532 333 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 333 V C -0.960 174.880 176.094 -0.424 0.000 1.041 333 V CA -0.415 61.736 62.300 -0.248 0.000 0.926 333 V CB 1.240 32.988 31.823 -0.125 0.000 0.992 333 V HN 0.576 nan 8.190 nan 0.000 0.457 334 H N 2.008 121.088 119.070 0.017 0.000 2.934 334 H HA 0.387 4.943 4.556 -0.000 0.000 0.340 334 H C -0.515 174.848 175.328 0.059 0.000 1.008 334 H CA -0.407 55.671 56.048 0.050 0.000 1.317 334 H CB 1.343 31.190 29.762 0.142 0.000 1.670 334 H HN 0.647 nan 8.280 nan 0.000 0.516 335 Q N 3.438 123.318 119.800 0.134 0.000 2.288 335 Q HA 0.245 4.585 4.340 -0.000 0.000 0.258 335 Q C 0.532 176.601 176.000 0.114 0.000 0.957 335 Q CA -0.220 55.662 55.803 0.132 0.000 0.919 335 Q CB 0.691 29.509 28.738 0.133 0.000 1.185 335 Q HN 0.893 nan 8.270 nan 0.000 0.408 336 I N 0.233 120.866 120.570 0.105 0.000 4.187 336 I HA 0.546 4.716 4.170 -0.000 0.000 0.326 336 I C 0.525 176.671 176.117 0.048 0.000 1.302 336 I CA -0.270 61.072 61.300 0.069 0.000 1.196 336 I CB 1.035 39.078 38.000 0.071 0.000 1.095 336 I HN 0.473 nan 8.210 nan 0.000 0.411 337 G N 0.642 109.478 108.800 0.060 0.000 2.690 337 G HA2 0.667 4.627 3.960 -0.000 0.000 0.291 337 G HA3 0.667 4.627 3.960 -0.000 0.000 0.291 337 G C -1.139 173.776 174.900 0.025 0.000 1.403 337 G CA 0.050 45.180 45.100 0.051 0.000 0.864 337 G HN 0.324 nan 8.290 nan 0.000 0.480 338 S N -0.985 114.727 115.700 0.020 0.000 2.903 338 S HA 0.501 4.971 4.470 -0.000 0.000 0.314 338 S C 0.373 174.975 174.600 0.002 0.000 1.177 338 S CA -0.210 57.950 58.200 -0.066 0.000 0.859 338 S CB 1.289 64.462 63.200 -0.045 0.000 1.265 338 S HN 0.365 nan 8.310 nan 0.000 0.584 339 D N 1.454 121.839 120.400 -0.026 0.000 2.242 339 D HA -0.119 4.521 4.640 -0.000 0.000 0.190 339 D C 1.666 178.106 176.300 0.234 0.000 1.012 339 D CA 2.302 56.357 54.000 0.093 0.000 0.875 339 D CB -0.967 39.896 40.800 0.104 0.000 0.922 339 D HN 0.785 nan 8.370 nan 0.000 0.448 340 G N -1.279 107.696 108.800 0.291 0.000 3.126 340 G HA2 0.468 4.428 3.960 -0.000 0.000 0.224 340 G HA3 0.468 4.428 3.960 -0.000 0.000 0.224 340 G C 0.689 175.804 174.900 0.357 0.000 1.142 340 G CA 0.525 45.862 45.100 0.395 0.000 0.759 340 G HN 0.700 nan 8.290 nan 0.000 0.550 341 G N -0.447 108.518 108.800 0.276 0.000 2.302 341 G HA2 0.045 4.004 3.960 -0.000 0.000 0.264 341 G HA3 0.045 4.004 3.960 -0.000 0.000 0.264 341 G C -0.839 174.173 174.900 0.186 0.000 1.335 341 G CA -1.002 44.221 45.100 0.204 0.000 0.982 341 G HN 0.336 nan 8.290 nan 0.000 0.473 342 L N 1.269 122.585 121.223 0.154 0.000 2.525 342 L HA 0.269 4.609 4.340 -0.000 0.000 0.278 342 L C 0.990 177.905 176.870 0.075 0.000 1.218 342 L CA -0.202 54.698 54.840 0.099 0.000 0.878 342 L CB 0.167 42.273 42.059 0.080 0.000 1.127 342 L HN 0.383 nan 8.230 nan 0.000 0.492 343 L N 5.353 126.565 121.223 -0.019 0.000 2.464 343 L HA 0.117 4.457 4.340 -0.000 0.000 0.264 343 L C -1.061 175.643 176.870 -0.277 0.000 1.199 343 L CA -1.468 53.268 54.840 -0.173 0.000 0.818 343 L CB 0.050 42.030 42.059 -0.130 0.000 1.102 343 L HN 0.483 nan 8.230 nan 0.000 0.473 344 P HA -0.108 nan 4.420 nan 0.000 0.216 344 P C -0.129 177.049 177.300 -0.203 0.000 1.150 344 P CA 1.501 64.320 63.100 -0.468 0.000 0.837 344 P CB 0.273 31.537 31.700 -0.727 0.000 0.786 345 R N -1.187 119.205 120.500 -0.181 0.000 2.725 345 R HA 0.508 4.848 4.340 -0.000 0.000 0.277 345 R C -2.852 173.414 176.300 -0.057 0.000 0.987 345 R CA -2.630 53.415 56.100 -0.092 0.000 0.901 345 R CB 0.905 31.160 30.300 -0.074 0.000 1.207 345 R HN -0.129 nan 8.270 nan 0.000 0.463 346 P HA 0.028 nan 4.420 nan 0.000 0.268 346 P C -0.737 176.587 177.300 0.040 0.000 1.205 346 P CA -0.242 62.876 63.100 0.031 0.000 0.771 346 P CB 0.588 32.318 31.700 0.050 0.000 0.858 347 V N 5.638 125.584 119.914 0.054 0.000 2.357 347 V HA 0.316 4.435 4.120 -0.000 0.000 0.284 347 V C -2.048 174.055 176.094 0.014 0.000 1.018 347 V CA -1.988 60.327 62.300 0.025 0.000 0.841 347 V CB 1.430 33.260 31.823 0.012 0.000 0.991 347 V HN 0.550 nan 8.190 nan 0.000 0.437 348 P HA 0.184 nan 4.420 nan 0.000 0.276 348 P C -0.643 176.518 177.300 -0.230 0.000 1.235 348 P CA -0.043 62.973 63.100 -0.140 0.000 0.772 348 P CB 1.237 32.877 31.700 -0.100 0.000 0.871 349 V N 3.958 123.652 119.914 -0.368 0.000 2.257 349 V HA 0.151 4.271 4.120 -0.000 0.000 0.269 349 V C 0.550 176.097 176.094 -0.912 0.000 1.040 349 V CA 0.075 62.046 62.300 -0.547 0.000 0.813 349 V CB 0.648 32.186 31.823 -0.475 0.000 1.065 349 V HN 0.439 nan 8.190 nan 0.000 0.457 350 D N 3.168 123.155 120.400 -0.689 0.000 2.369 350 D HA 0.190 4.830 4.640 -0.000 0.000 0.211 350 D C 0.676 176.771 176.300 -0.342 0.000 1.077 350 D CA 0.014 53.719 54.000 -0.491 0.000 0.842 350 D CB 0.204 40.868 40.800 -0.227 0.000 0.947 350 D HN 0.540 nan 8.370 nan 0.000 0.509 351 F N 1.107 121.027 119.950 -0.049 0.000 3.039 351 F HA -0.259 4.268 4.527 -0.000 0.000 0.287 351 F C 0.892 176.674 175.800 -0.029 0.000 0.956 351 F CA 0.166 58.144 58.000 -0.037 0.000 0.971 351 F CB -1.824 37.153 39.000 -0.038 0.000 0.943 351 F HN 0.068 nan 8.300 nan 0.000 0.766 352 D N -0.945 119.479 120.400 0.039 0.000 2.928 352 D HA 0.124 4.764 4.640 -0.000 0.000 0.265 352 D C 1.290 177.604 176.300 0.022 0.000 1.542 352 D CA 1.291 55.307 54.000 0.027 0.000 1.133 352 D CB 0.011 40.807 40.800 -0.007 0.000 1.057 352 D HN 0.223 nan 8.370 nan 0.000 0.331 353 D N -1.582 118.820 120.400 0.003 0.000 2.001 353 D HA 0.028 4.668 4.640 -0.000 0.000 0.348 353 D C 1.554 177.853 176.300 -0.002 0.000 1.074 353 D CA 0.588 54.591 54.000 0.006 0.000 0.928 353 D CB 0.422 41.225 40.800 0.004 0.000 1.823 353 D HN 0.132 nan 8.370 nan 0.000 0.540 354 T N 0.994 115.539 114.554 -0.015 0.000 2.849 354 T HA -0.089 4.261 4.350 -0.000 0.000 0.270 354 T C 0.767 175.452 174.700 -0.025 0.000 1.066 354 T CA 0.926 63.014 62.100 -0.020 0.000 1.130 354 T CB 0.384 69.233 68.868 -0.033 0.000 0.864 354 T HN -0.057 nan 8.240 nan 0.000 0.481 355 L N 1.055 122.257 121.223 -0.035 0.000 2.722 355 L HA 0.294 4.634 4.340 -0.000 0.000 0.244 355 L C -2.343 174.518 176.870 -0.015 0.000 1.023 355 L CA -1.200 53.617 54.840 -0.037 0.000 0.988 355 L CB 1.767 43.773 42.059 -0.089 0.000 1.245 355 L HN -0.243 nan 8.230 nan 0.000 0.508 356 P HA 0.048 nan 4.420 nan 0.000 0.227 356 P C 0.084 177.520 177.300 0.225 0.000 1.161 356 P CA 0.830 64.001 63.100 0.119 0.000 0.788 356 P CB 0.444 32.187 31.700 0.072 0.000 0.822 357 V N -3.443 116.572 119.914 0.167 0.000 2.971 357 V HA 0.523 4.643 4.120 -0.000 0.000 0.309 357 V C -0.926 175.246 176.094 0.129 0.000 1.130 357 V CA -1.686 60.729 62.300 0.192 0.000 0.964 357 V CB 2.150 34.026 31.823 0.088 0.000 1.029 357 V HN -0.196 nan 8.190 nan 0.000 0.427 358 L N 3.554 124.864 121.223 0.145 0.000 2.295 358 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 358 L C 0.640 177.453 176.870 -0.097 0.000 1.079 358 L CA 0.694 55.523 54.840 -0.018 0.000 0.830 358 L CB 0.840 42.859 42.059 -0.067 0.000 1.200 358 L HN 0.985 nan 8.230 nan 0.000 0.438 359 S N 4.622 120.289 115.700 -0.056 0.000 2.400 359 S HA 0.672 5.141 4.470 -0.000 0.000 0.295 359 S C 0.066 174.657 174.600 -0.016 0.000 1.113 359 S CA -0.359 57.836 58.200 -0.009 0.000 1.064 359 S CB 0.002 63.236 63.200 0.057 0.000 0.990 359 S HN 0.806 nan 8.310 nan 0.000 0.502 360 A N 4.857 127.646 122.820 -0.051 0.000 2.394 360 A HA 0.748 5.068 4.320 -0.000 0.000 0.333 360 A C 0.464 178.151 177.584 0.171 0.000 1.397 360 A CA -0.575 51.501 52.037 0.065 0.000 0.884 360 A CB 0.168 19.074 19.000 -0.156 0.000 1.147 360 A HN 1.065 nan 8.150 nan 0.000 0.505 361 A N 3.887 126.820 122.820 0.188 0.000 2.346 361 A HA 0.670 4.990 4.320 -0.000 0.000 0.252 361 A C -2.463 175.150 177.584 0.049 0.000 1.089 361 A CA -1.405 50.697 52.037 0.109 0.000 0.797 361 A CB -0.384 18.672 19.000 0.093 0.000 1.047 361 A HN 0.537 nan 8.150 nan 0.000 0.494 362 P HA 0.208 nan 4.420 nan 0.000 0.264 362 P C 0.641 177.764 177.300 -0.295 0.000 1.183 362 P CA 2.070 65.117 63.100 -0.090 0.000 0.763 362 P CB 0.775 32.498 31.700 0.039 0.000 0.807 363 A N 2.134 124.656 122.820 -0.497 0.000 3.661 363 A HA -0.279 4.041 4.320 -0.000 0.000 0.269 363 A C 0.610 177.882 177.584 -0.520 0.000 1.056 363 A CA 1.077 52.728 52.037 -0.643 0.000 1.159 363 A CB -2.400 16.046 19.000 -0.924 0.000 1.105 363 A HN 0.597 nan 8.150 nan 0.000 0.907 364 E N -0.317 119.690 120.200 -0.321 0.000 2.398 364 E HA 0.423 4.772 4.350 -0.000 0.000 0.263 364 E C 0.253 176.624 176.600 -0.383 0.000 1.046 364 E CA -0.110 56.106 56.400 -0.305 0.000 0.908 364 E CB 0.346 29.954 29.700 -0.154 0.000 0.963 364 E HN 0.508 nan 8.360 nan 0.000 0.431 365 R N 1.407 121.587 120.500 -0.534 0.000 2.637 365 R HA 0.478 4.818 4.340 -0.000 0.000 0.291 365 R C -1.135 174.748 176.300 -0.696 0.000 0.963 365 R CA -0.498 55.364 56.100 -0.398 0.000 0.901 365 R CB 1.144 31.342 30.300 -0.169 0.000 1.160 365 R HN 0.342 nan 8.270 nan 0.000 0.457 366 F N 0.543 120.482 119.950 -0.017 0.000 2.539 366 F HA 0.230 4.756 4.527 -0.000 0.000 0.328 366 F C -0.311 175.504 175.800 0.025 0.000 1.148 366 F CA -0.976 57.032 58.000 0.013 0.000 0.940 366 F CB 1.851 40.858 39.000 0.012 0.000 1.194 366 F HN 0.305 nan 8.300 nan 0.000 0.438 367 D N 4.897 125.390 120.400 0.156 0.000 2.396 367 D HA 0.435 5.075 4.640 -0.000 0.000 0.225 367 D C -0.991 175.392 176.300 0.139 0.000 1.121 367 D CA 0.064 54.135 54.000 0.119 0.000 0.853 367 D CB 0.669 41.514 40.800 0.075 0.000 1.043 367 D HN 0.458 nan 8.370 nan 0.000 0.500 368 L N 3.929 125.235 121.223 0.139 0.000 2.341 368 L HA 0.461 4.801 4.340 -0.000 0.000 0.278 368 L C -0.154 176.793 176.870 0.128 0.000 1.005 368 L CA -0.961 53.960 54.840 0.136 0.000 0.818 368 L CB 1.921 44.051 42.059 0.119 0.000 1.259 368 L HN 0.188 nan 8.230 nan 0.000 0.418 369 L N 4.125 125.452 121.223 0.174 0.000 2.309 369 L HA 0.613 4.952 4.340 -0.000 0.000 0.282 369 L C -0.339 176.648 176.870 0.194 0.000 1.036 369 L CA -0.933 54.042 54.840 0.225 0.000 0.806 369 L CB 1.860 44.119 42.059 0.334 0.000 1.220 369 L HN 0.384 nan 8.230 nan 0.000 0.429 370 V N -1.040 118.878 119.914 0.006 0.000 2.531 370 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 370 V C -0.946 174.740 176.094 -0.680 0.000 1.034 370 V CA -0.663 61.405 62.300 -0.388 0.000 0.865 370 V CB 1.907 33.323 31.823 -0.679 0.000 0.995 370 V HN 0.693 nan 8.190 nan 0.000 0.424 371 D N 3.988 123.865 120.400 -0.872 0.000 2.443 371 D HA 0.417 5.057 4.640 -0.000 0.000 0.221 371 D C -0.163 175.675 176.300 -0.771 0.000 1.097 371 D CA -0.583 52.684 54.000 -1.222 0.000 0.865 371 D CB 0.836 40.708 40.800 -1.547 0.000 1.034 371 D HN 0.493 nan 8.370 nan 0.000 0.511 372 F N 2.195 121.934 119.950 -0.352 0.000 2.645 372 F HA 0.310 4.837 4.527 -0.000 0.000 0.300 372 F C 2.080 177.780 175.800 -0.167 0.000 1.115 372 F CA -0.336 57.533 58.000 -0.218 0.000 1.355 372 F CB 0.063 38.971 39.000 -0.153 0.000 1.026 372 F HN 0.259 nan 8.300 nan 0.000 0.536 373 R N 0.443 120.887 120.500 -0.093 0.000 2.105 373 R HA -0.100 4.240 4.340 -0.000 0.000 0.239 373 R C 2.003 178.302 176.300 -0.001 0.000 1.135 373 R CA 1.380 57.459 56.100 -0.036 0.000 0.967 373 R CB -0.326 29.932 30.300 -0.071 0.000 0.861 373 R HN 0.244 nan 8.270 nan 0.000 0.442 374 A N 0.058 122.866 122.820 -0.019 0.000 2.337 374 A HA 0.165 4.485 4.320 -0.000 0.000 0.227 374 A C 1.015 178.605 177.584 0.009 0.000 1.259 374 A CA 0.121 52.157 52.037 -0.003 0.000 0.870 374 A CB 0.218 19.211 19.000 -0.012 0.000 0.927 374 A HN 0.154 nan 8.150 nan 0.000 0.497 375 L N 0.015 121.255 121.223 0.028 0.000 3.110 375 L HA 0.277 4.617 4.340 -0.000 0.000 0.266 375 L C 1.124 177.989 176.870 -0.008 0.000 1.257 375 L CA -0.495 54.359 54.840 0.024 0.000 1.038 375 L CB 0.624 42.727 42.059 0.074 0.000 1.395 375 L HN 0.337 nan 8.230 nan 0.000 0.566 376 G N -0.612 108.185 108.800 -0.004 0.000 2.380 376 G HA2 0.340 4.299 3.960 -0.000 0.000 0.242 376 G HA3 0.340 4.299 3.960 -0.000 0.000 0.242 376 G C 1.118 176.000 174.900 -0.030 0.000 1.298 376 G CA 0.606 45.695 45.100 -0.018 0.000 0.878 376 G HN 0.475 nan 8.290 nan 0.000 0.542 377 G N 1.316 110.088 108.800 -0.046 0.000 2.179 377 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 377 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 377 G C 0.700 175.566 174.900 -0.057 0.000 0.977 377 G CA 0.475 45.547 45.100 -0.047 0.000 0.641 377 G HN 0.787 nan 8.290 nan 0.000 0.533 378 R N -0.333 120.127 120.500 -0.067 0.000 2.674 378 R HA 0.741 5.081 4.340 -0.000 0.000 0.266 378 R C 0.163 176.406 176.300 -0.095 0.000 1.016 378 R CA -0.741 55.319 56.100 -0.067 0.000 1.062 378 R CB 0.828 31.100 30.300 -0.046 0.000 1.142 378 R HN 0.300 nan 8.270 nan 0.000 0.517 379 R N 1.024 121.472 120.500 -0.087 0.000 2.439 379 R HA 0.497 4.837 4.340 -0.000 0.000 0.310 379 R C -0.639 175.612 176.300 -0.083 0.000 0.955 379 R CA -0.408 55.627 56.100 -0.108 0.000 0.853 379 R CB 1.337 31.560 30.300 -0.128 0.000 1.171 379 R HN 0.332 nan 8.270 nan 0.000 0.449 380 L N 2.385 123.578 121.223 -0.049 0.000 2.342 380 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 380 L C -0.018 176.853 176.870 0.001 0.000 1.008 380 L CA -1.008 53.838 54.840 0.010 0.000 0.818 380 L CB 1.954 44.071 42.059 0.096 0.000 1.296 380 L HN 0.372 nan 8.230 nan 0.000 0.427 381 R N 1.426 121.909 120.500 -0.029 0.000 2.534 381 R HA 0.537 4.876 4.340 -0.000 0.000 0.301 381 R C -1.341 174.967 176.300 0.013 0.000 0.961 381 R CA -0.950 55.102 56.100 -0.081 0.000 0.871 381 R CB 2.076 32.312 30.300 -0.106 0.000 1.170 381 R HN 0.287 nan 8.270 nan 0.000 0.446 382 L N 4.690 125.950 121.223 0.062 0.000 2.319 382 L HA 0.337 4.677 4.340 -0.000 0.000 0.280 382 L C -0.420 176.473 176.870 0.038 0.000 1.099 382 L CA -0.068 54.809 54.840 0.061 0.000 0.828 382 L CB 1.361 43.497 42.059 0.129 0.000 1.150 382 L HN 0.481 nan 8.230 nan 0.000 0.442 383 V N 0.841 120.755 119.914 0.001 0.000 3.074 383 V HA 0.659 4.779 4.120 -0.000 0.000 0.314 383 V C -0.725 175.400 176.094 0.052 0.000 1.117 383 V CA -1.041 61.277 62.300 0.030 0.000 1.014 383 V CB 2.024 33.843 31.823 -0.006 0.000 1.057 383 V HN 0.646 nan 8.190 nan 0.000 0.438 384 D N 1.803 122.271 120.400 0.112 0.000 2.280 384 D HA 0.267 4.907 4.640 -0.000 0.000 0.243 384 D C -0.311 176.007 176.300 0.031 0.000 1.129 384 D CA -0.060 54.020 54.000 0.134 0.000 0.848 384 D CB 1.352 42.281 40.800 0.214 0.000 1.107 384 D HN 0.774 nan 8.370 nan 0.000 0.471 385 K N 2.846 123.248 120.400 0.003 0.000 2.276 385 K HA 0.482 4.802 4.320 -0.000 0.000 0.285 385 K C 0.294 176.868 176.600 -0.043 0.000 1.062 385 K CA -0.655 55.615 56.287 -0.027 0.000 0.918 385 K CB 0.720 33.203 32.500 -0.028 0.000 1.055 385 K HN 0.522 nan 8.250 nan 0.000 0.477 386 G N 4.049 112.814 108.800 -0.059 0.000 2.527 386 G HA2 0.120 4.080 3.960 -0.000 0.000 0.248 386 G HA3 0.120 4.080 3.960 -0.000 0.000 0.248 386 G C -1.510 173.349 174.900 -0.068 0.000 1.231 386 G CA -1.244 43.808 45.100 -0.080 0.000 0.838 386 G HN 0.536 nan 8.290 nan 0.000 0.570 387 P HA -0.031 nan 4.420 nan 0.000 0.222 387 P C 1.377 178.644 177.300 -0.055 0.000 1.147 387 P CA 1.352 64.415 63.100 -0.061 0.000 0.790 387 P CB 0.323 31.981 31.700 -0.071 0.000 0.780 388 G N -1.397 107.365 108.800 -0.063 0.000 3.233 388 G HA2 0.482 4.442 3.960 -0.000 0.000 0.234 388 G HA3 0.482 4.442 3.960 -0.000 0.000 0.234 388 G C 0.283 175.153 174.900 -0.051 0.000 1.137 388 G CA 0.459 45.525 45.100 -0.056 0.000 0.763 388 G HN 0.535 nan 8.290 nan 0.000 0.549 389 A N -0.241 122.549 122.820 -0.050 0.000 2.606 389 A HA 0.810 5.130 4.320 -0.000 0.000 0.293 389 A C -3.086 174.473 177.584 -0.042 0.000 1.082 389 A CA -1.221 50.788 52.037 -0.046 0.000 0.685 389 A CB 1.145 20.113 19.000 -0.054 0.000 1.284 389 A HN -0.024 nan 8.150 nan 0.000 0.408 390 P HA 0.402 nan 4.420 nan 0.000 0.272 390 P C 0.030 177.305 177.300 -0.042 0.000 1.230 390 P CA 0.167 63.246 63.100 -0.035 0.000 0.788 390 P CB 0.519 32.200 31.700 -0.031 0.000 0.949 391 A N 1.807 124.599 122.820 -0.047 0.000 2.567 391 A HA 0.379 4.699 4.320 -0.000 0.000 0.240 391 A C 1.564 179.114 177.584 -0.057 0.000 1.053 391 A CA 0.972 52.972 52.037 -0.061 0.000 0.755 391 A CB -1.556 17.389 19.000 -0.092 0.000 0.978 391 A HN 0.891 nan 8.150 nan 0.000 0.507 392 G N 1.798 110.567 108.800 -0.051 0.000 2.268 392 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.240 392 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.240 392 G C 0.469 175.343 174.900 -0.042 0.000 1.010 392 G CA 0.474 45.549 45.100 -0.043 0.000 0.618 392 G HN 1.264 nan 8.290 nan 0.000 0.516 393 T N 3.987 118.513 114.554 -0.046 0.000 2.743 393 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 393 T C -2.201 172.462 174.700 -0.061 0.000 0.945 393 T CA -0.754 61.317 62.100 -0.049 0.000 1.030 393 T CB 1.899 70.740 68.868 -0.045 0.000 0.912 393 T HN 0.079 nan 8.240 nan 0.000 0.483 394 P HA 0.075 nan 4.420 nan 0.000 0.263 394 P C -0.426 176.811 177.300 -0.105 0.000 1.175 394 P CA 0.238 63.277 63.100 -0.101 0.000 0.761 394 P CB 0.351 31.982 31.700 -0.114 0.000 0.794 395 D N 3.640 123.966 120.400 -0.124 0.000 2.552 395 D HA 0.227 4.867 4.640 -0.000 0.000 0.285 395 D C -2.014 174.197 176.300 -0.149 0.000 1.206 395 D CA -2.048 51.880 54.000 -0.120 0.000 0.826 395 D CB 0.360 41.099 40.800 -0.101 0.000 1.179 395 D HN 0.006 nan 8.370 nan 0.000 0.508 396 P HA -0.096 nan 4.420 nan 0.000 0.215 396 P C 1.762 178.970 177.300 -0.153 0.000 1.153 396 P CA 0.781 63.771 63.100 -0.183 0.000 0.853 396 P CB 0.321 31.913 31.700 -0.180 0.000 0.788 397 L N -1.343 119.805 121.223 -0.125 0.000 2.127 397 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 397 L C 2.349 179.144 176.870 -0.126 0.000 1.089 397 L CA 1.698 56.471 54.840 -0.111 0.000 0.757 397 L CB -1.353 40.653 42.059 -0.088 0.000 0.899 397 L HN 0.089 nan 8.230 nan 0.000 0.434 398 G N -1.595 107.126 108.800 -0.133 0.000 3.042 398 G HA2 0.294 4.254 3.960 -0.000 0.000 0.212 398 G HA3 0.294 4.254 3.960 -0.000 0.000 0.212 398 G C 1.189 175.975 174.900 -0.190 0.000 1.166 398 G CA 0.437 45.450 45.100 -0.145 0.000 0.767 398 G HN 0.494 nan 8.290 nan 0.000 0.546 399 G N -1.257 107.420 108.800 -0.205 0.000 2.141 399 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.242 399 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.242 399 G C 0.098 174.861 174.900 -0.228 0.000 0.982 399 G CA 0.145 45.092 45.100 -0.255 0.000 0.662 399 G HN 0.897 nan 8.290 nan 0.000 0.527 400 V N 1.078 120.878 119.914 -0.190 0.000 2.313 400 V HA 0.375 4.495 4.120 -0.000 0.000 0.262 400 V C 1.411 177.394 176.094 -0.185 0.000 1.011 400 V CA 0.223 62.429 62.300 -0.156 0.000 0.858 400 V CB 0.825 32.579 31.823 -0.115 0.000 1.104 400 V HN 0.410 nan 8.190 nan 0.000 0.456 401 R N 2.609 122.945 120.500 -0.273 0.000 2.081 401 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 401 R C -0.204 175.789 176.300 -0.511 0.000 1.131 401 R CA 1.461 57.275 56.100 -0.477 0.000 0.960 401 R CB 0.150 30.003 30.300 -0.744 0.000 0.856 401 R HN 0.576 nan 8.270 nan 0.000 0.436 402 Y N -0.349 119.902 120.300 -0.083 0.000 2.464 402 Y HA 0.323 4.873 4.550 -0.000 0.000 0.326 402 Y C -1.838 173.991 175.900 -0.118 0.000 0.969 402 Y CA -2.685 55.335 58.100 -0.134 0.000 1.270 402 Y CB 2.006 40.426 38.460 -0.068 0.000 1.103 402 Y HN 0.084 nan 8.280 nan 0.000 0.491 403 P HA -0.156 nan 4.420 nan 0.000 0.219 403 P C -0.346 176.951 177.300 -0.006 0.000 1.146 403 P CA 1.185 64.282 63.100 -0.004 0.000 0.808 403 P CB 0.242 31.922 31.700 -0.035 0.000 0.779 404 E N -0.957 119.125 120.200 -0.196 0.000 2.558 404 E HA -0.007 4.343 4.350 -0.000 0.000 0.255 404 E C 0.974 177.596 176.600 0.037 0.000 0.968 404 E CA 0.230 56.483 56.400 -0.245 0.000 0.939 404 E CB 0.280 29.362 29.700 -1.030 0.000 0.921 404 E HN -0.068 nan 8.360 nan 0.000 0.477 405 V N 3.341 123.376 119.914 0.201 0.000 2.735 405 V HA 0.230 4.349 4.120 -0.000 0.000 0.234 405 V C 0.501 176.790 176.094 0.325 0.000 1.121 405 V CA 1.018 63.473 62.300 0.258 0.000 1.160 405 V CB -0.126 31.750 31.823 0.088 0.000 0.908 405 V HN 0.786 nan 8.190 nan 0.000 0.495 406 M N -0.896 118.833 119.600 0.215 0.000 2.773 406 M HA 0.626 5.105 4.480 -0.000 0.000 0.270 406 M C -1.458 174.641 176.300 -0.335 0.000 1.238 406 M CA -0.580 54.781 55.300 0.101 0.000 0.832 406 M CB 2.723 35.232 32.600 -0.151 0.000 1.672 406 M HN 0.033 nan 8.290 nan 0.000 0.480 407 E N 1.112 120.916 120.200 -0.660 0.000 2.187 407 E HA 0.611 4.960 4.350 -0.000 0.000 0.268 407 E C -2.050 174.187 176.600 -0.606 0.000 0.896 407 E CA -0.642 55.281 56.400 -0.794 0.000 0.766 407 E CB 1.621 30.602 29.700 -1.197 0.000 1.142 407 E HN 0.561 nan 8.360 nan 0.000 0.408 408 F N 2.895 122.690 119.950 -0.259 0.000 2.408 408 F HA 0.441 4.968 4.527 -0.000 0.000 0.344 408 F C 0.507 176.115 175.800 -0.320 0.000 1.112 408 F CA -0.691 57.133 58.000 -0.294 0.000 1.096 408 F CB 1.230 40.002 39.000 -0.379 0.000 1.129 408 F HN 0.215 nan 8.300 nan 0.000 0.486 409 R N 2.643 123.068 120.500 -0.125 0.000 2.320 409 R HA 0.511 4.851 4.340 -0.000 0.000 0.319 409 R C -1.452 174.729 176.300 -0.199 0.000 0.969 409 R CA -0.728 55.281 56.100 -0.152 0.000 0.857 409 R CB 1.636 31.865 30.300 -0.119 0.000 1.160 409 R HN 0.395 nan 8.270 nan 0.000 0.491 410 V N 3.953 123.723 119.914 -0.239 0.000 2.385 410 V HA 0.253 4.373 4.120 -0.000 0.000 0.269 410 V C 0.698 176.716 176.094 -0.128 0.000 1.043 410 V CA -0.576 61.567 62.300 -0.261 0.000 0.906 410 V CB 0.995 32.631 31.823 -0.313 0.000 0.995 410 V HN 0.584 nan 8.190 nan 0.000 0.467 411 R N 3.707 124.156 120.500 -0.085 0.000 2.298 411 R HA 0.217 4.557 4.340 -0.000 0.000 0.310 411 R C 0.145 176.436 176.300 -0.014 0.000 1.068 411 R CA -0.406 55.672 56.100 -0.036 0.000 0.957 411 R CB 0.719 31.013 30.300 -0.010 0.000 1.003 411 R HN 0.865 nan 8.270 nan 0.000 0.454 412 E N 2.568 122.761 120.200 -0.011 0.000 2.351 412 E HA 0.040 4.390 4.350 -0.000 0.000 0.266 412 E C -0.920 175.689 176.600 0.015 0.000 1.031 412 E CA 0.331 56.733 56.400 0.003 0.000 0.911 412 E CB 0.806 30.505 29.700 -0.001 0.000 0.986 412 E HN 0.472 nan 8.360 nan 0.000 0.446 413 T N 3.100 117.671 114.554 0.027 0.000 2.926 413 T HA 0.275 4.625 4.350 -0.000 0.000 0.289 413 T C -0.400 174.319 174.700 0.032 0.000 1.054 413 T CA -0.643 61.477 62.100 0.033 0.000 1.015 413 T CB 1.335 70.232 68.868 0.048 0.000 1.167 413 T HN 0.556 nan 8.240 nan 0.000 0.526 414 C N 2.006 121.325 119.300 0.031 0.000 2.469 414 C HA 0.372 4.831 4.460 -0.000 0.000 0.298 414 C C 0.722 175.733 174.990 0.035 0.000 1.436 414 C CA -0.399 58.637 59.018 0.030 0.000 1.783 414 C CB -1.738 26.016 27.740 0.023 0.000 2.726 414 C HN 0.757 nan 8.230 nan 0.000 0.541 415 E N 0.926 121.152 120.200 0.044 0.000 2.250 415 E HA 0.290 4.640 4.350 -0.000 0.000 0.269 415 E C -0.161 176.476 176.600 0.062 0.000 1.018 415 E CA -0.253 56.178 56.400 0.051 0.000 0.873 415 E CB 0.858 30.591 29.700 0.055 0.000 1.134 415 E HN 0.318 nan 8.360 nan 0.000 0.403 416 E N 1.606 121.845 120.200 0.065 0.000 2.151 416 E HA 0.124 4.474 4.350 -0.000 0.000 0.275 416 E C -1.237 175.428 176.600 0.108 0.000 0.936 416 E CA -0.456 55.992 56.400 0.081 0.000 0.777 416 E CB 1.414 31.153 29.700 0.065 0.000 1.108 416 E HN 0.326 nan 8.360 nan 0.000 0.401 417 D N 1.651 122.145 120.400 0.158 0.000 2.412 417 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 417 D C 0.468 176.920 176.300 0.253 0.000 1.093 417 D CA -0.259 53.878 54.000 0.230 0.000 0.850 417 D CB 0.809 41.821 40.800 0.353 0.000 1.046 417 D HN 0.268 nan 8.370 nan 0.000 0.507 418 S N 3.669 119.471 115.700 0.169 0.000 2.614 418 S HA 0.085 4.554 4.470 -0.000 0.000 0.230 418 S C 0.720 175.353 174.600 0.056 0.000 0.952 418 S CA -0.745 57.523 58.200 0.113 0.000 0.949 418 S CB -0.625 62.607 63.200 0.054 0.000 0.786 418 S HN 0.365 nan 8.310 nan 0.000 0.478 419 F N 3.411 123.306 119.950 -0.092 0.000 2.623 419 F HA 0.320 4.847 4.527 -0.000 0.000 0.386 419 F C 0.388 175.957 175.800 -0.384 0.000 1.068 419 F CA -0.356 57.449 58.000 -0.325 0.000 1.265 419 F CB -0.040 38.587 39.000 -0.622 0.000 1.026 419 F HN 0.332 nan 8.300 nan 0.000 0.568 420 A N 7.400 129.514 122.820 -1.176 0.000 2.304 420 A HA 0.612 4.931 4.320 -0.000 0.000 0.323 420 A C -1.535 175.271 177.584 -1.296 0.000 1.195 420 A CA -0.794 50.682 52.037 -0.934 0.000 0.826 420 A CB 1.098 19.801 19.000 -0.495 0.000 1.184 420 A HN 0.826 nan 8.150 nan 0.000 0.496 421 L N 5.401 126.090 121.223 -0.890 0.000 2.276 421 L HA 0.564 4.904 4.340 -0.000 0.000 0.286 421 L C -1.972 174.701 176.870 -0.328 0.000 1.024 421 L CA -1.399 53.075 54.840 -0.611 0.000 0.826 421 L CB 1.007 42.764 42.059 -0.503 0.000 1.211 421 L HN 0.571 nan 8.230 nan 0.000 0.422 422 P HA 0.239 nan 4.420 nan 0.000 0.276 422 P C -0.042 177.193 177.300 -0.107 0.000 1.244 422 P CA -0.401 62.602 63.100 -0.161 0.000 0.801 422 P CB 0.976 32.594 31.700 -0.137 0.000 1.006 423 E N -0.104 120.050 120.200 -0.077 0.000 2.153 423 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 423 E C 0.384 176.957 176.600 -0.046 0.000 0.988 423 E CA 1.070 57.440 56.400 -0.050 0.000 0.811 423 E CB -0.112 29.565 29.700 -0.038 0.000 0.746 423 E HN 0.231 nan 8.360 nan 0.000 0.466 424 V N 1.847 121.732 119.914 -0.048 0.000 2.459 424 V HA 0.151 4.271 4.120 -0.000 0.000 0.295 424 V C 1.155 177.222 176.094 -0.045 0.000 1.029 424 V CA -0.268 62.007 62.300 -0.042 0.000 0.874 424 V CB 2.079 33.886 31.823 -0.026 0.000 0.985 424 V HN 0.050 nan 8.190 nan 0.000 0.438 425 L N 2.157 123.354 121.223 -0.043 0.000 2.262 425 L HA 0.245 4.585 4.340 -0.000 0.000 0.197 425 L C 1.211 178.077 176.870 -0.008 0.000 1.073 425 L CA 0.875 55.695 54.840 -0.034 0.000 0.800 425 L CB 0.564 42.605 42.059 -0.032 0.000 0.987 425 L HN 0.679 nan 8.230 nan 0.000 0.470 426 S N -0.888 114.818 115.700 0.011 0.000 2.437 426 S HA 0.434 4.904 4.470 -0.000 0.000 0.305 426 S C 0.764 175.414 174.600 0.083 0.000 1.109 426 S CA -0.326 57.911 58.200 0.062 0.000 1.099 426 S CB 1.770 65.044 63.200 0.123 0.000 1.004 426 S HN 0.300 nan 8.310 nan 0.000 0.475 427 G N 2.249 111.088 108.800 0.066 0.000 2.494 427 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 427 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 427 G C 1.500 176.448 174.900 0.080 0.000 1.140 427 G CA 0.670 45.808 45.100 0.063 0.000 0.801 427 G HN 0.883 nan 8.290 nan 0.000 0.536 428 S N -0.079 115.674 115.700 0.088 0.000 2.453 428 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 428 S C 0.917 175.581 174.600 0.107 0.000 1.005 428 S CA -0.425 57.819 58.200 0.073 0.000 0.949 428 S CB -0.410 62.819 63.200 0.048 0.000 0.774 428 S HN 0.146 nan 8.310 nan 0.000 0.510 429 F N 4.691 124.668 119.950 0.046 0.000 2.571 429 F HA 0.270 4.797 4.527 -0.000 0.000 0.390 429 F C 0.459 176.274 175.800 0.024 0.000 1.043 429 F CA -0.354 57.677 58.000 0.053 0.000 1.164 429 F CB 0.367 39.374 39.000 0.011 0.000 1.049 429 F HN 0.002 nan 8.300 nan 0.000 0.552 430 R N 5.047 125.181 120.500 -0.611 0.000 2.343 430 R HA 0.290 4.630 4.340 -0.000 0.000 0.320 430 R C -0.498 175.365 176.300 -0.730 0.000 0.956 430 R CA -1.285 54.547 56.100 -0.447 0.000 0.836 430 R CB 1.231 31.397 30.300 -0.223 0.000 1.151 430 R HN 0.542 nan 8.270 nan 0.000 0.450 431 R N 2.601 122.899 120.500 -0.335 0.000 2.484 431 R HA 0.070 4.410 4.340 -0.000 0.000 0.293 431 R C 0.262 176.479 176.300 -0.139 0.000 1.023 431 R CA 0.184 56.208 56.100 -0.127 0.000 1.037 431 R CB 0.289 30.661 30.300 0.121 0.000 0.951 431 R HN 0.468 nan 8.270 nan 0.000 0.418 432 M N 3.097 122.623 119.600 -0.123 0.000 2.390 432 M HA -0.043 4.437 4.480 -0.000 0.000 0.353 432 M C 0.075 176.340 176.300 -0.058 0.000 1.623 432 M CA 0.780 56.026 55.300 -0.089 0.000 1.065 432 M CB 0.347 32.914 32.600 -0.055 0.000 2.025 432 M HN 0.573 nan 8.290 nan 0.000 0.461 433 S N 3.148 118.798 115.700 -0.082 0.000 2.452 433 S HA 0.106 4.576 4.470 -0.000 0.000 0.284 433 S C 1.294 175.861 174.600 -0.054 0.000 1.171 433 S CA -0.470 57.702 58.200 -0.047 0.000 1.064 433 S CB 0.265 63.434 63.200 -0.051 0.000 0.967 433 S HN 0.764 nan 8.310 nan 0.000 0.484 434 H N 3.593 122.612 119.070 -0.085 0.000 2.518 434 H HA -0.111 4.445 4.556 -0.000 0.000 0.294 434 H C 0.473 175.823 175.328 0.036 0.000 1.083 434 H CA 1.655 57.658 56.048 -0.075 0.000 1.264 434 H CB 0.325 30.084 29.762 -0.005 0.000 1.370 434 H HN 0.667 nan 8.280 nan 0.000 0.560 435 D N 1.000 121.380 120.400 -0.033 0.000 2.264 435 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 435 D C 0.948 177.203 176.300 -0.075 0.000 0.966 435 D CA 0.492 54.461 54.000 -0.052 0.000 0.864 435 D CB -0.196 40.594 40.800 -0.017 0.000 0.933 435 D HN 0.515 nan 8.370 nan 0.000 0.499 436 I N -1.511 118.990 120.570 -0.116 0.000 2.575 436 I HA 0.287 4.456 4.170 -0.000 0.000 0.285 436 I C -2.496 173.594 176.117 -0.045 0.000 1.085 436 I CA -2.346 58.866 61.300 -0.146 0.000 1.403 436 I CB -0.033 37.769 38.000 -0.330 0.000 1.409 436 I HN -0.355 nan 8.210 nan 0.000 0.557 437 P HA 0.116 nan 4.420 nan 0.000 0.265 437 P C -0.965 176.367 177.300 0.053 0.000 1.193 437 P CA 0.684 63.767 63.100 -0.028 0.000 0.765 437 P CB 0.206 31.893 31.700 -0.023 0.000 0.823 438 H N -0.067 118.957 119.070 -0.077 0.000 3.037 438 H HA 0.546 5.101 4.556 -0.000 0.000 0.336 438 H C -0.546 174.716 175.328 -0.111 0.000 1.323 438 H CA -1.081 54.926 56.048 -0.067 0.000 1.159 438 H CB 0.578 30.270 29.762 -0.116 0.000 1.882 438 H HN 0.499 nan 8.280 nan 0.000 0.535 439 G N -0.032 108.765 108.800 -0.004 0.000 2.557 439 G HA2 0.455 4.415 3.960 -0.000 0.000 0.292 439 G HA3 0.455 4.415 3.960 -0.000 0.000 0.292 439 G C -1.252 173.545 174.900 -0.173 0.000 1.237 439 G CA -0.472 44.597 45.100 -0.051 0.000 0.978 439 G HN 0.686 nan 8.290 nan 0.000 0.498 440 H N -0.512 118.564 119.070 0.011 0.000 2.667 440 H HA 0.530 5.086 4.556 -0.000 0.000 0.353 440 H C -0.237 174.949 175.328 -0.236 0.000 1.072 440 H CA -0.755 55.284 56.048 -0.014 0.000 1.214 440 H CB 1.746 31.520 29.762 0.019 0.000 1.600 440 H HN 0.228 nan 8.280 nan 0.000 0.527 441 R N 2.019 122.341 120.500 -0.297 0.000 2.711 441 R HA 0.457 4.797 4.340 -0.000 0.000 0.284 441 R C -1.212 174.843 176.300 -0.408 0.000 0.968 441 R CA -1.261 54.457 56.100 -0.637 0.000 0.924 441 R CB 2.530 31.907 30.300 -1.538 0.000 1.162 441 R HN 0.425 nan 8.270 nan 0.000 0.465 442 L N 3.279 124.298 121.223 -0.339 0.000 2.325 442 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 442 L C -1.020 175.722 176.870 -0.213 0.000 1.004 442 L CA -0.457 54.200 54.840 -0.304 0.000 0.823 442 L CB 1.165 42.984 42.059 -0.399 0.000 1.236 442 L HN 0.426 nan 8.230 nan 0.000 0.415 443 I N 6.750 127.187 120.570 -0.222 0.000 2.382 443 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 443 I C -0.168 175.963 176.117 0.024 0.000 1.007 443 I CA -0.639 60.644 61.300 -0.027 0.000 1.142 443 I CB 1.332 39.329 38.000 -0.005 0.000 1.289 443 I HN 0.223 nan 8.210 nan 0.000 0.453 444 V N 6.967 126.908 119.914 0.047 0.000 2.546 444 V HA 0.301 4.421 4.120 -0.000 0.000 0.284 444 V C 0.097 176.163 176.094 -0.048 0.000 1.050 444 V CA -0.520 61.757 62.300 -0.039 0.000 0.981 444 V CB 1.884 33.664 31.823 -0.072 0.000 0.990 444 V HN 0.349 nan 8.190 nan 0.000 0.474 445 L N 5.117 126.268 121.223 -0.122 0.000 2.296 445 L HA 0.570 4.910 4.340 -0.000 0.000 0.286 445 L C 0.471 177.146 176.870 -0.326 0.000 1.023 445 L CA 0.194 54.923 54.840 -0.185 0.000 0.812 445 L CB 1.734 43.730 42.059 -0.105 0.000 1.223 445 L HN 0.877 nan 8.230 nan 0.000 0.421 446 T N 1.408 115.710 114.554 -0.420 0.000 2.925 446 T HA 0.763 5.112 4.350 -0.000 0.000 0.285 446 T C -2.691 171.873 174.700 -0.227 0.000 1.021 446 T CA -2.287 59.501 62.100 -0.519 0.000 1.042 446 T CB 1.686 70.043 68.868 -0.852 0.000 1.037 446 T HN 0.225 nan 8.240 nan 0.000 0.481 447 P HA 0.238 nan 4.420 nan 0.000 0.272 447 P C -1.948 175.361 177.300 0.015 0.000 1.223 447 P CA -1.603 61.495 63.100 -0.002 0.000 0.784 447 P CB -0.042 31.692 31.700 0.058 0.000 0.923 448 P HA -0.059 nan 4.420 nan 0.000 0.221 448 P C 1.267 178.587 177.300 0.034 0.000 1.150 448 P CA 1.486 64.609 63.100 0.037 0.000 0.800 448 P CB -0.345 31.387 31.700 0.053 0.000 0.787 449 G N -0.501 108.324 108.800 0.041 0.000 3.279 449 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.230 449 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.230 449 G C 0.229 175.162 174.900 0.055 0.000 1.230 449 G CA 0.032 45.154 45.100 0.036 0.000 0.891 449 G HN 0.162 nan 8.290 nan 0.000 0.518 450 T N 0.407 115.013 114.554 0.086 0.000 2.926 450 T HA 0.151 4.501 4.350 -0.000 0.000 0.307 450 T C 0.644 175.425 174.700 0.136 0.000 1.059 450 T CA -0.165 62.015 62.100 0.134 0.000 1.122 450 T CB 1.271 70.251 68.868 0.186 0.000 0.972 450 T HN 0.348 nan 8.240 nan 0.000 0.545 451 K N 1.470 121.947 120.400 0.130 0.000 2.437 451 K HA 0.210 4.530 4.320 -0.000 0.000 0.277 451 K C 1.240 177.940 176.600 0.167 0.000 1.073 451 K CA 0.991 57.348 56.287 0.117 0.000 1.105 451 K CB -0.640 31.911 32.500 0.085 0.000 0.881 451 K HN 0.876 nan 8.250 nan 0.000 0.475 452 G N 2.386 111.255 108.800 0.116 0.000 2.157 452 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.239 452 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.239 452 G C 0.503 175.482 174.900 0.131 0.000 0.982 452 G CA 0.447 45.614 45.100 0.111 0.000 0.650 452 G HN 0.814 nan 8.290 nan 0.000 0.527 453 S N -0.109 115.673 115.700 0.137 0.000 2.556 453 S HA 0.437 4.906 4.470 -0.000 0.000 0.216 453 S C 2.047 176.682 174.600 0.058 0.000 0.970 453 S CA 1.198 59.484 58.200 0.145 0.000 0.912 453 S CB 0.296 63.595 63.200 0.165 0.000 0.790 453 S HN 2.243 nan 8.310 nan 0.000 0.504 454 G N 1.056 109.861 108.800 0.008 0.000 2.296 454 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.282 454 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.282 454 G C 1.099 175.833 174.900 -0.275 0.000 1.014 454 G CA 0.380 45.428 45.100 -0.087 0.000 0.812 454 G HN 1.908 nan 8.290 nan 0.000 0.508 455 G N -1.969 106.725 108.800 -0.177 0.000 2.141 455 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 455 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 455 G C 0.116 174.894 174.900 -0.203 0.000 0.982 455 G CA 0.732 45.718 45.100 -0.189 0.000 0.662 455 G HN 1.281 nan 8.290 nan 0.000 0.527 456 H N 0.584 119.675 119.070 0.035 0.000 2.499 456 H HA 0.503 5.059 4.556 -0.000 0.000 0.340 456 H C -2.253 173.050 175.328 -0.041 0.000 1.148 456 H CA -1.853 54.192 56.048 -0.005 0.000 1.215 456 H CB 1.798 31.563 29.762 0.004 0.000 1.529 456 H HN 0.161 nan 8.280 nan 0.000 0.510 457 P HA 0.144 nan 4.420 nan 0.000 0.271 457 P C -0.402 176.847 177.300 -0.084 0.000 1.218 457 P CA -0.123 62.931 63.100 -0.077 0.000 0.780 457 P CB 1.570 33.200 31.700 -0.118 0.000 0.901 458 E N 0.822 120.960 120.200 -0.103 0.000 2.359 458 E HA 0.523 4.873 4.350 -0.000 0.000 0.266 458 E C -0.519 176.066 176.600 -0.026 0.000 0.920 458 E CA -1.024 55.376 56.400 -0.000 0.000 0.788 458 E CB 1.816 31.637 29.700 0.202 0.000 1.279 458 E HN 0.366 nan 8.360 nan 0.000 0.438 459 I N 1.629 122.270 120.570 0.119 0.000 2.331 459 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 459 I C -0.998 175.367 176.117 0.414 0.000 0.998 459 I CA -0.377 61.040 61.300 0.195 0.000 1.267 459 I CB 0.606 38.708 38.000 0.172 0.000 1.386 459 I HN 0.274 nan 8.210 nan 0.000 0.476 460 W N 5.393 126.714 121.300 0.035 0.000 2.424 460 W HA 0.393 5.053 4.660 -0.000 0.000 0.318 460 W C -0.166 176.373 176.519 0.033 0.000 1.016 460 W CA -0.985 56.374 57.345 0.024 0.000 1.268 460 W CB 0.888 30.354 29.460 0.009 0.000 1.297 460 W HN 0.390 nan 8.180 nan 0.000 0.428 461 E N 3.766 124.072 120.200 0.178 0.000 2.316 461 E HA 0.306 4.656 4.350 -0.000 0.000 0.275 461 E C 0.032 176.694 176.600 0.104 0.000 1.029 461 E CA -0.209 56.268 56.400 0.128 0.000 0.871 461 E CB 0.856 30.561 29.700 0.010 0.000 1.022 461 E HN 0.064 nan 8.360 nan 0.000 0.418 462 M N 1.751 121.414 119.600 0.105 0.000 2.383 462 M HA 0.496 4.976 4.480 -0.000 0.000 0.325 462 M C -0.508 175.859 176.300 0.111 0.000 1.092 462 M CA -0.967 54.391 55.300 0.097 0.000 0.961 462 M CB 1.563 34.183 32.600 0.033 0.000 1.672 462 M HN 0.483 nan 8.290 nan 0.000 0.438 463 A N 1.932 124.841 122.820 0.148 0.000 2.318 463 A HA 0.521 4.841 4.320 -0.000 0.000 0.324 463 A C -0.229 177.494 177.584 0.230 0.000 1.170 463 A CA -0.667 51.462 52.037 0.154 0.000 0.810 463 A CB 0.743 19.795 19.000 0.086 0.000 1.198 463 A HN 0.861 nan 8.150 nan 0.000 0.484 464 E N 2.010 122.370 120.200 0.267 0.000 2.415 464 E HA 0.309 4.659 4.350 -0.000 0.000 0.263 464 E C -0.755 175.834 176.600 -0.019 0.000 0.995 464 E CA -0.131 56.327 56.400 0.096 0.000 0.915 464 E CB 0.511 30.248 29.700 0.061 0.000 0.951 464 E HN 0.413 nan 8.360 nan 0.000 0.449 465 V N 4.878 124.732 119.914 -0.099 0.000 2.465 465 V HA 0.273 4.393 4.120 -0.000 0.000 0.279 465 V C 0.016 176.062 176.094 -0.081 0.000 1.045 465 V CA -0.249 62.012 62.300 -0.065 0.000 0.938 465 V CB 1.164 32.954 31.823 -0.054 0.000 0.986 465 V HN 0.769 nan 8.190 nan 0.000 0.467 473 V N -1.008 118.916 119.914 0.017 0.000 3.083 473 V HA 0.788 4.908 4.120 -0.000 0.000 0.306 473 V C -1.811 174.295 176.094 0.020 0.000 1.077 473 V CA -1.054 61.262 62.300 0.026 0.000 1.073 473 V CB -0.069 31.775 31.823 0.035 0.000 1.081 473 V HN 0.751 nan 8.190 nan 0.000 0.474 474 P HA 0.743 nan 4.420 nan 0.000 0.281 474 P C -0.737 176.578 177.300 0.025 0.000 1.249 474 P CA -0.242 62.874 63.100 0.027 0.000 0.810 474 P CB 1.513 33.224 31.700 0.018 0.000 1.008 475 A N 0.323 123.165 122.820 0.036 0.000 2.582 475 A HA 0.280 4.600 4.320 -0.000 0.000 0.297 475 A C -0.535 177.081 177.584 0.053 0.000 1.059 475 A CA -0.748 51.309 52.037 0.034 0.000 0.705 475 A CB 0.751 19.768 19.000 0.028 0.000 1.279 475 A HN 0.605 nan 8.150 nan 0.000 0.404 476 E N 0.570 120.795 120.200 0.041 0.000 2.608 476 E HA 0.283 4.633 4.350 -0.000 0.000 0.259 476 E C 1.364 177.993 176.600 0.049 0.000 0.951 476 E CA 1.748 58.184 56.400 0.059 0.000 0.945 476 E CB 0.169 29.887 29.700 0.030 0.000 0.916 476 E HN 2.088 nan 8.360 nan 0.000 0.477 477 G N 2.661 111.520 108.800 0.098 0.000 2.184 477 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.264 477 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.264 477 G C -0.003 174.968 174.900 0.118 0.000 0.975 477 G CA 0.234 45.311 45.100 -0.038 0.000 0.642 477 G HN 0.485 nan 8.290 nan 0.000 0.536 478 V N 1.687 121.714 119.914 0.188 0.000 2.417 478 V HA 0.694 4.814 4.120 -0.000 0.000 0.291 478 V C 0.378 176.634 176.094 0.271 0.000 1.024 478 V CA -0.623 61.788 62.300 0.186 0.000 0.861 478 V CB 1.707 33.595 31.823 0.108 0.000 0.985 478 V HN 0.298 nan 8.190 nan 0.000 0.436 479 I N 4.556 125.302 120.570 0.294 0.000 2.498 479 I HA 0.465 4.634 4.170 -0.000 0.000 0.290 479 I C -0.373 175.906 176.117 0.270 0.000 1.032 479 I CA -0.562 60.932 61.300 0.323 0.000 1.073 479 I CB 2.182 40.384 38.000 0.337 0.000 1.251 479 I HN 0.555 nan 8.210 nan 0.000 0.426 480 Q N 4.689 124.619 119.800 0.217 0.000 2.274 480 Q HA 0.684 5.024 4.340 -0.000 0.000 0.260 480 Q C -1.226 174.894 176.000 0.201 0.000 0.974 480 Q CA -0.861 55.044 55.803 0.170 0.000 0.876 480 Q CB 3.321 32.122 28.738 0.105 0.000 1.297 480 Q HN 0.390 nan 8.270 nan 0.000 0.446 481 V N 1.571 121.616 119.914 0.218 0.000 2.531 481 V HA 0.304 4.424 4.120 -0.000 0.000 0.301 481 V C -0.467 175.742 176.094 0.191 0.000 1.034 481 V CA -0.760 61.685 62.300 0.241 0.000 0.865 481 V CB 1.989 34.004 31.823 0.321 0.000 0.995 481 V HN 0.772 nan 8.190 nan 0.000 0.424 482 T N 4.371 119.030 114.554 0.175 0.000 2.738 482 T HA 0.509 4.859 4.350 -0.000 0.000 0.298 482 T C 0.718 175.497 174.700 0.130 0.000 0.962 482 T CA 0.029 62.204 62.100 0.125 0.000 0.972 482 T CB 1.156 70.077 68.868 0.089 0.000 0.928 482 T HN 0.917 nan 8.240 nan 0.000 0.474 483 G N 1.479 110.348 108.800 0.114 0.000 2.516 483 G HA2 0.478 4.438 3.960 -0.000 0.000 0.276 483 G HA3 0.478 4.438 3.960 -0.000 0.000 0.276 483 G C 1.262 176.180 174.900 0.030 0.000 1.390 483 G CA -0.198 44.958 45.100 0.093 0.000 1.050 483 G HN 0.734 nan 8.290 nan 0.000 0.519 484 A N -0.236 122.590 122.820 0.010 0.000 1.933 484 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 484 A C 1.818 179.401 177.584 -0.002 0.000 1.175 484 A CA 2.183 54.212 52.037 -0.014 0.000 0.628 484 A CB -0.540 18.450 19.000 -0.017 0.000 0.814 484 A HN 0.630 nan 8.150 nan 0.000 0.444 485 D N -1.629 118.778 120.400 0.011 0.000 2.338 485 D HA 0.272 4.912 4.640 -0.000 0.000 0.239 485 D C 1.164 177.472 176.300 0.013 0.000 1.095 485 D CA 0.819 54.826 54.000 0.012 0.000 0.888 485 D CB -0.888 39.922 40.800 0.016 0.000 0.899 485 D HN 0.683 nan 8.370 nan 0.000 0.525 486 G N 0.082 108.890 108.800 0.014 0.000 2.196 486 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.268 486 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.268 486 G C 0.563 175.477 174.900 0.023 0.000 0.975 486 G CA 0.383 45.492 45.100 0.017 0.000 0.648 486 G HN 0.652 nan 8.290 nan 0.000 0.538 487 R N 0.784 121.299 120.500 0.025 0.000 2.641 487 R HA 0.588 4.927 4.340 -0.000 0.000 0.269 487 R C 0.112 176.433 176.300 0.036 0.000 1.074 487 R CA 0.743 56.857 56.100 0.024 0.000 1.133 487 R CB 0.384 30.697 30.300 0.021 0.000 1.029 487 R HN 0.080 nan 8.270 nan 0.000 0.488 488 T N 3.817 118.385 114.554 0.024 0.000 2.829 488 T HA 0.460 4.810 4.350 -0.000 0.000 0.280 488 T C -0.768 173.925 174.700 -0.011 0.000 0.999 488 T CA -0.756 61.361 62.100 0.027 0.000 0.983 488 T CB 1.079 69.963 68.868 0.026 0.000 0.968 488 T HN 0.410 nan 8.240 nan 0.000 0.446 489 K N 1.427 121.813 120.400 -0.023 0.000 2.340 489 K HA 0.674 4.994 4.320 -0.000 0.000 0.244 489 K C -0.814 175.606 176.600 -0.299 0.000 0.973 489 K CA -0.922 55.251 56.287 -0.191 0.000 0.828 489 K CB 2.079 34.426 32.500 -0.255 0.000 1.226 489 K HN 0.427 nan 8.250 nan 0.000 0.437 490 T N 1.940 116.214 114.554 -0.466 0.000 2.809 490 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 490 T C -1.220 173.178 174.700 -0.503 0.000 0.992 490 T CA -0.599 61.308 62.100 -0.321 0.000 0.957 490 T CB 0.169 68.952 68.868 -0.142 0.000 0.942 490 T HN 0.291 nan 8.240 nan 0.000 0.439 491 Y N 1.251 121.584 120.300 0.055 0.000 2.468 491 Y HA 0.697 5.247 4.550 -0.000 0.000 0.342 491 Y C 0.400 176.339 175.900 0.066 0.000 1.021 491 Y CA -1.441 56.691 58.100 0.053 0.000 1.079 491 Y CB 1.640 40.135 38.460 0.057 0.000 1.226 491 Y HN 0.472 nan 8.280 nan 0.000 0.460 492 R N 2.196 122.816 120.500 0.200 0.000 2.494 492 R HA 0.450 4.790 4.340 -0.000 0.000 0.305 492 R C -0.679 175.664 176.300 0.071 0.000 0.959 492 R CA -0.815 55.348 56.100 0.105 0.000 0.864 492 R CB 1.082 31.412 30.300 0.050 0.000 1.159 492 R HN 0.798 nan 8.270 nan 0.000 0.446 493 R N 2.316 122.810 120.500 -0.010 0.000 2.570 493 R HA 0.021 4.361 4.340 -0.000 0.000 0.277 493 R C -0.446 175.764 176.300 -0.151 0.000 1.039 493 R CA 0.794 56.798 56.100 -0.159 0.000 1.065 493 R CB 0.729 30.690 30.300 -0.564 0.000 0.964 493 R HN 0.825 nan 8.270 nan 0.000 0.428 494 T N 1.417 115.896 114.554 -0.125 0.000 2.966 494 T HA 0.310 4.659 4.350 -0.000 0.000 0.254 494 T C -0.858 173.775 174.700 -0.111 0.000 0.961 494 T CA 0.476 62.527 62.100 -0.082 0.000 0.915 494 T CB 0.836 69.696 68.868 -0.012 0.000 1.186 494 T HN 0.722 nan 8.240 nan 0.000 0.505 495 A N 1.265 123.998 122.820 -0.144 0.000 2.605 495 A HA 0.688 5.007 4.320 -0.000 0.000 0.294 495 A C -0.076 177.418 177.584 -0.149 0.000 1.062 495 A CA -0.773 51.181 52.037 -0.138 0.000 0.682 495 A CB 1.058 19.989 19.000 -0.115 0.000 1.278 495 A HN 0.273 nan 8.150 nan 0.000 0.410 496 R N -0.097 120.337 120.500 -0.110 0.000 2.541 496 R HA 0.436 4.776 4.340 -0.000 0.000 0.332 496 R C 0.089 176.462 176.300 0.121 0.000 0.951 496 R CA 0.685 56.783 56.100 -0.004 0.000 1.136 496 R CB 0.925 31.140 30.300 -0.141 0.000 1.449 496 R HN 0.745 nan 8.270 nan 0.000 0.531 497 T N -1.235 113.352 114.554 0.055 0.000 2.802 497 T HA 0.182 4.532 4.350 -0.000 0.000 0.311 497 T C -0.420 174.322 174.700 0.070 0.000 1.405 497 T CA -0.775 61.378 62.100 0.088 0.000 1.016 497 T CB 1.098 70.027 68.868 0.101 0.000 1.352 497 T HN 0.109 nan 8.240 nan 0.000 0.498 498 F N 2.732 122.657 119.950 -0.043 0.000 2.087 498 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 498 F C 1.723 177.506 175.800 -0.029 0.000 1.100 498 F CA 1.953 59.914 58.000 -0.064 0.000 1.226 498 F CB 0.131 39.082 39.000 -0.081 0.000 0.983 498 F HN 0.514 nan 8.300 nan 0.000 0.479 499 N N 0.944 119.576 118.700 -0.114 0.000 2.370 499 N HA -0.009 4.731 4.740 -0.000 0.000 0.198 499 N C -0.636 174.794 175.510 -0.133 0.000 1.156 499 N CA 0.213 53.144 53.050 -0.199 0.000 0.839 499 N CB -0.584 37.903 38.487 0.001 0.000 0.989 499 N HN 0.313 nan 8.380 nan 0.000 0.468 500 D N 0.163 120.491 120.400 -0.120 0.000 2.368 500 D HA 0.092 4.732 4.640 -0.000 0.000 0.240 500 D C 1.116 177.338 176.300 -0.130 0.000 1.169 500 D CA 0.176 54.114 54.000 -0.103 0.000 0.906 500 D CB 0.579 41.324 40.800 -0.093 0.000 1.187 500 D HN 0.086 nan 8.370 nan 0.000 0.435 501 G N 0.593 109.335 108.800 -0.096 0.000 2.368 501 G HA2 0.102 4.062 3.960 -0.000 0.000 0.233 501 G HA3 0.102 4.062 3.960 -0.000 0.000 0.233 501 G C 0.162 175.004 174.900 -0.097 0.000 1.267 501 G CA -0.392 44.657 45.100 -0.086 0.000 0.873 501 G HN 0.438 nan 8.290 nan 0.000 0.539 502 L N 2.749 123.922 121.223 -0.084 0.000 2.559 502 L HA 0.367 4.706 4.340 -0.000 0.000 0.282 502 L C 1.372 178.212 176.870 -0.051 0.000 1.232 502 L CA 1.412 56.211 54.840 -0.069 0.000 0.885 502 L CB 0.792 42.836 42.059 -0.026 0.000 1.131 502 L HN 0.490 nan 8.230 nan 0.000 0.498 503 G N 4.295 113.036 108.800 -0.099 0.000 2.645 503 G HA2 0.051 4.010 3.960 -0.000 0.000 0.207 503 G HA3 0.051 4.010 3.960 -0.000 0.000 0.207 503 G C -0.035 174.997 174.900 0.220 0.000 1.145 503 G CA -0.151 44.925 45.100 -0.039 0.000 0.831 503 G HN 0.444 nan 8.290 nan 0.000 0.563 504 F N 2.220 122.219 119.950 0.081 0.000 2.361 504 F HA 0.556 5.083 4.527 -0.000 0.000 0.364 504 F C -0.022 175.855 175.800 0.129 0.000 1.120 504 F CA -1.476 56.558 58.000 0.056 0.000 1.102 504 F CB 0.977 39.972 39.000 -0.008 0.000 1.183 504 F HN -0.286 nan 8.300 nan 0.000 0.476 505 T N 5.421 120.125 114.554 0.251 0.000 2.779 505 T HA 0.712 5.061 4.350 -0.000 0.000 0.280 505 T C -0.135 174.635 174.700 0.117 0.000 0.987 505 T CA -0.364 61.847 62.100 0.185 0.000 0.966 505 T CB 1.053 69.997 68.868 0.126 0.000 0.933 505 T HN 0.294 nan 8.240 nan 0.000 0.442 506 I N 2.070 122.716 120.570 0.126 0.000 2.466 506 I HA 0.434 4.604 4.170 -0.000 0.000 0.289 506 I C 0.885 177.061 176.117 0.098 0.000 1.026 506 I CA -1.079 60.243 61.300 0.036 0.000 1.078 506 I CB 1.901 39.813 38.000 -0.146 0.000 1.249 506 I HN 0.706 nan 8.210 nan 0.000 0.429 507 G N 4.770 113.616 108.800 0.077 0.000 2.334 507 G HA2 0.044 4.003 3.960 -0.000 0.000 0.261 507 G HA3 0.044 4.003 3.960 -0.000 0.000 0.261 507 G C 0.038 175.027 174.900 0.148 0.000 1.257 507 G CA -0.192 44.974 45.100 0.111 0.000 0.935 507 G HN 0.644 nan 8.290 nan 0.000 0.480 508 E N 1.564 121.892 120.200 0.214 0.000 2.452 508 E HA 0.199 4.548 4.350 -0.000 0.000 0.261 508 E C 1.470 178.151 176.600 0.135 0.000 0.987 508 E CA 1.325 57.855 56.400 0.218 0.000 0.926 508 E CB 0.601 30.506 29.700 0.340 0.000 0.934 508 E HN 1.030 nan 8.360 nan 0.000 0.452 509 G N 3.374 112.217 108.800 0.071 0.000 2.267 509 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 509 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 509 G C 0.545 175.424 174.900 -0.034 0.000 0.998 509 G CA 0.825 45.926 45.100 0.001 0.000 0.620 509 G HN 0.817 nan 8.290 nan 0.000 0.529 510 T N -1.213 113.365 114.554 0.040 0.000 2.828 510 T HA 0.580 4.930 4.350 -0.000 0.000 0.290 510 T C 0.090 174.808 174.700 0.030 0.000 1.019 510 T CA 0.092 62.235 62.100 0.070 0.000 1.031 510 T CB 1.390 70.320 68.868 0.105 0.000 1.001 510 T HN 0.419 nan 8.240 nan 0.000 0.531 511 H N -0.106 119.033 119.070 0.114 0.000 2.479 511 H HA 0.623 5.179 4.556 -0.000 0.000 0.335 511 H C -0.027 175.408 175.328 0.179 0.000 1.142 511 H CA -0.685 55.431 56.048 0.113 0.000 1.234 511 H CB 1.155 30.937 29.762 0.034 0.000 1.503 511 H HN 0.685 nan 8.280 nan 0.000 0.510 512 E N 1.250 121.663 120.200 0.356 0.000 2.340 512 E HA 0.172 4.522 4.350 -0.000 0.000 0.273 512 E C -1.090 175.670 176.600 0.267 0.000 0.891 512 E CA -1.016 55.577 56.400 0.321 0.000 0.757 512 E CB 2.931 32.898 29.700 0.446 0.000 1.231 512 E HN 0.497 nan 8.360 nan 0.000 0.439 513 Q N 2.275 122.168 119.800 0.155 0.000 2.257 513 Q HA 0.273 4.613 4.340 -0.000 0.000 0.255 513 Q C -1.532 174.655 176.000 0.313 0.000 0.920 513 Q CA -0.670 55.223 55.803 0.150 0.000 0.927 513 Q CB 0.845 29.605 28.738 0.037 0.000 1.229 513 Q HN 0.395 nan 8.270 nan 0.000 0.433 514 W N 2.298 123.513 121.300 -0.140 0.000 2.529 514 W HA 0.390 5.050 4.660 -0.000 0.000 0.321 514 W C -0.550 175.725 176.519 -0.407 0.000 1.047 514 W CA -0.675 56.458 57.345 -0.354 0.000 1.216 514 W CB 2.008 31.145 29.460 -0.538 0.000 1.357 514 W HN 0.440 nan 8.180 nan 0.000 0.489 515 T N 4.162 118.583 114.554 -0.222 0.000 2.767 515 T HA 0.470 4.820 4.350 -0.000 0.000 0.284 515 T C -0.877 173.595 174.700 -0.380 0.000 0.973 515 T CA -0.350 61.627 62.100 -0.205 0.000 0.996 515 T CB 0.285 69.090 68.868 -0.106 0.000 0.927 515 T HN -0.023 nan 8.240 nan 0.000 0.456 516 F N 3.234 123.195 119.950 0.017 0.000 2.361 516 F HA 0.432 4.958 4.527 -0.000 0.000 0.364 516 F C 0.015 175.793 175.800 -0.038 0.000 1.120 516 F CA -1.059 56.954 58.000 0.022 0.000 1.102 516 F CB 0.889 39.938 39.000 0.081 0.000 1.183 516 F HN 0.246 nan 8.300 nan 0.000 0.476 517 L N 5.308 126.544 121.223 0.021 0.000 2.272 517 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 517 L C -0.440 176.365 176.870 -0.109 0.000 1.045 517 L CA -0.347 54.409 54.840 -0.140 0.000 0.842 517 L CB 0.018 41.907 42.059 -0.284 0.000 1.224 517 L HN 0.419 nan 8.230 nan 0.000 0.430 518 N N 4.647 123.314 118.700 -0.055 0.000 2.414 518 N HA 0.230 4.969 4.740 -0.000 0.000 0.256 518 N C 0.267 175.717 175.510 -0.100 0.000 1.029 518 N CA -0.110 52.920 53.050 -0.034 0.000 0.948 518 N CB 0.889 39.423 38.487 0.079 0.000 1.102 518 N HN 0.699 nan 8.380 nan 0.000 0.496 519 L N 1.258 122.373 121.223 -0.180 0.000 2.640 519 L HA 0.185 4.525 4.340 -0.000 0.000 0.230 519 L C 0.825 177.635 176.870 -0.100 0.000 1.123 519 L CA -0.127 54.594 54.840 -0.198 0.000 0.900 519 L CB -0.252 41.538 42.059 -0.448 0.000 1.146 519 L HN 0.440 nan 8.230 nan 0.000 0.484 520 S N -0.796 114.879 115.700 -0.043 0.000 2.747 520 S HA 0.512 4.982 4.470 -0.000 0.000 0.300 520 S C -2.136 172.487 174.600 0.038 0.000 1.121 520 S CA -1.187 57.021 58.200 0.014 0.000 0.995 520 S CB 1.648 64.877 63.200 0.048 0.000 1.113 520 S HN -0.148 nan 8.310 nan 0.000 0.547 521 P HA 0.333 nan 4.420 nan 0.000 0.261 521 P C -0.170 177.138 177.300 0.012 0.000 1.268 521 P CA -0.029 63.089 63.100 0.030 0.000 0.833 521 P CB -0.147 31.567 31.700 0.024 0.000 1.231 522 I N 1.244 121.819 120.570 0.009 0.000 2.416 522 I HA 0.089 4.259 4.170 -0.000 0.000 0.288 522 I C 0.923 176.931 176.117 -0.181 0.000 1.051 522 I CA -0.683 60.571 61.300 -0.077 0.000 1.375 522 I CB 0.950 38.906 38.000 -0.073 0.000 1.407 522 I HN -0.118 nan 8.210 nan 0.000 0.516 523 L N 7.700 128.822 121.223 -0.167 0.000 2.315 523 L HA 0.227 4.567 4.340 -0.000 0.000 0.283 523 L C -0.393 176.353 176.870 -0.208 0.000 1.089 523 L CA -0.173 54.604 54.840 -0.104 0.000 0.833 523 L CB -0.164 41.881 42.059 -0.022 0.000 1.170 523 L HN 0.548 nan 8.230 nan 0.000 0.442 524 H N 5.612 124.742 119.070 0.101 0.000 2.504 524 H HA 0.330 4.886 4.556 -0.000 0.000 0.322 524 H C -2.330 173.048 175.328 0.083 0.000 1.055 524 H CA -2.240 53.877 56.048 0.114 0.000 1.231 524 H CB 1.345 31.177 29.762 0.118 0.000 1.417 524 H HN 0.425 nan 8.280 nan 0.000 0.472 525 P HA 0.093 nan 4.420 nan 0.000 0.280 525 P C -0.029 177.351 177.300 0.134 0.000 1.386 525 P CA -0.366 62.816 63.100 0.136 0.000 0.899 525 P CB 0.302 32.075 31.700 0.122 0.000 1.098 526 M N 3.194 122.813 119.600 0.032 0.000 2.249 526 M HA 0.276 4.756 4.480 -0.000 0.000 0.351 526 M C 0.144 176.437 176.300 -0.012 0.000 1.180 526 M CA -0.152 55.116 55.300 -0.053 0.000 1.127 526 M CB 0.101 32.381 32.600 -0.534 0.000 1.546 526 M HN 0.419 nan 8.290 nan 0.000 0.461 527 H N 2.430 121.453 119.070 -0.079 0.000 2.679 527 H HA 0.688 5.243 4.556 -0.000 0.000 0.360 527 H C -1.732 173.624 175.328 0.047 0.000 1.105 527 H CA -0.616 55.380 56.048 -0.087 0.000 1.196 527 H CB 1.126 30.892 29.762 0.008 0.000 1.636 527 H HN 0.677 nan 8.280 nan 0.000 0.531 528 I N 5.376 125.710 120.570 -0.393 0.000 2.418 528 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 528 I C 0.366 176.335 176.117 -0.248 0.000 1.008 528 I CA -0.628 60.550 61.300 -0.205 0.000 1.104 528 I CB 1.234 39.013 38.000 -0.368 0.000 1.264 528 I HN 0.600 nan 8.210 nan 0.000 0.438 529 H N 4.635 123.630 119.070 -0.126 0.000 2.801 529 H HA 0.110 4.665 4.556 -0.000 0.000 0.377 529 H C 0.946 176.318 175.328 0.074 0.000 1.304 529 H CA -0.188 55.875 56.048 0.025 0.000 1.451 529 H CB 1.078 30.996 29.762 0.259 0.000 1.474 529 H HN 0.670 nan 8.280 nan 0.000 0.620 530 L N -0.517 120.712 121.223 0.011 0.000 3.153 530 L HA -0.339 4.001 4.340 -0.000 0.000 0.369 530 L C 0.084 176.863 176.870 -0.151 0.000 3.110 530 L CA 2.226 56.932 54.840 -0.224 0.000 2.423 530 L CB -1.446 40.252 42.059 -0.602 0.000 2.474 530 L HN 0.717 nan 8.230 nan 0.000 0.797 531 A N 0.144 122.900 122.820 -0.105 0.000 2.269 531 A HA 0.613 4.933 4.320 -0.000 0.000 0.319 531 A C -0.469 177.082 177.584 -0.056 0.000 1.110 531 A CA 0.038 51.906 52.037 -0.283 0.000 0.847 531 A CB 0.316 18.752 19.000 -0.941 0.000 1.161 531 A HN 0.408 nan 8.150 nan 0.000 0.497 532 D N -0.262 120.032 120.400 -0.177 0.000 2.193 532 D HA 0.624 5.263 4.640 -0.000 0.000 0.249 532 D C -1.281 174.871 176.300 -0.247 0.000 1.034 532 D CA 0.676 54.703 54.000 0.046 0.000 0.902 532 D CB 1.252 42.111 40.800 0.097 0.000 1.182 532 D HN 0.288 nan 8.370 nan 0.000 0.436 533 F N 0.136 120.170 119.950 0.140 0.000 2.613 533 F HA 0.285 4.811 4.527 -0.000 0.000 0.314 533 F C 0.147 176.053 175.800 0.176 0.000 1.075 533 F CA -0.783 57.278 58.000 0.102 0.000 0.945 533 F CB 1.803 40.906 39.000 0.171 0.000 1.310 533 F HN -0.004 nan 8.300 nan 0.000 0.467 534 Q N 0.971 120.923 119.800 0.254 0.000 2.342 534 Q HA 0.583 4.923 4.340 -0.000 0.000 0.267 534 Q C -1.274 174.793 176.000 0.111 0.000 1.038 534 Q CA -1.213 54.705 55.803 0.191 0.000 0.832 534 Q CB 2.978 31.791 28.738 0.125 0.000 1.323 534 Q HN 0.354 nan 8.270 nan 0.000 0.448 535 V N 4.007 123.980 119.914 0.099 0.000 2.479 535 V HA -0.022 4.097 4.120 -0.000 0.000 0.281 535 V C 1.070 177.183 176.094 0.031 0.000 1.031 535 V CA 0.552 62.867 62.300 0.026 0.000 1.038 535 V CB 0.189 32.052 31.823 0.066 0.000 0.981 535 V HN 0.786 nan 8.190 nan 0.000 0.478 536 L N 4.080 125.305 121.223 0.003 0.000 2.354 536 L HA 0.434 4.774 4.340 -0.000 0.000 0.212 536 L C 1.044 177.914 176.870 -0.000 0.000 1.091 536 L CA 0.922 55.762 54.840 0.000 0.000 0.828 536 L CB 0.126 42.171 42.059 -0.024 0.000 0.973 536 L HN 0.851 nan 8.230 nan 0.000 0.461 537 G N -0.086 108.718 108.800 0.008 0.000 2.340 537 G HA2 0.365 4.325 3.960 -0.000 0.000 0.298 537 G HA3 0.365 4.325 3.960 -0.000 0.000 0.298 537 G C -1.566 173.359 174.900 0.041 0.000 1.498 537 G CA -0.848 44.264 45.100 0.020 0.000 0.847 537 G HN -0.083 nan 8.290 nan 0.000 0.594 538 R N 0.200 120.732 120.500 0.052 0.000 2.686 538 R HA 0.597 4.937 4.340 -0.000 0.000 0.283 538 R C -1.598 174.745 176.300 0.072 0.000 0.978 538 R CA -0.908 55.240 56.100 0.080 0.000 0.897 538 R CB 2.503 32.852 30.300 0.081 0.000 1.192 538 R HN 0.518 nan 8.270 nan 0.000 0.457 539 D N 1.038 121.507 120.400 0.115 0.000 2.738 539 D HA 0.347 4.986 4.640 -0.000 0.000 0.237 539 D C -0.805 175.544 176.300 0.081 0.000 1.123 539 D CA -0.528 53.496 54.000 0.040 0.000 0.856 539 D CB 2.368 43.141 40.800 -0.046 0.000 1.552 539 D HN 0.547 nan 8.370 nan 0.000 0.480 540 A N 1.844 124.650 122.820 -0.023 0.000 2.340 540 A HA 0.538 4.857 4.320 -0.000 0.000 0.268 540 A C -1.224 176.281 177.584 -0.131 0.000 1.100 540 A CA -0.002 52.050 52.037 0.025 0.000 0.803 540 A CB 0.311 19.317 19.000 0.009 0.000 1.043 540 A HN 0.533 nan 8.150 nan 0.000 0.488 541 Y N -0.256 120.061 120.300 0.029 0.000 2.477 541 Y HA 0.352 4.902 4.550 -0.000 0.000 0.347 541 Y C -0.254 175.665 175.900 0.032 0.000 0.981 541 Y CA -0.768 57.350 58.100 0.030 0.000 1.033 541 Y CB 2.017 40.494 38.460 0.028 0.000 1.245 541 Y HN 0.721 nan 8.280 nan 0.000 0.455 542 D N 1.999 122.500 120.400 0.169 0.000 2.339 542 D HA 0.348 4.988 4.640 -0.000 0.000 0.241 542 D C -0.005 176.394 176.300 0.164 0.000 1.183 542 D CA 0.070 54.149 54.000 0.133 0.000 0.859 542 D CB 1.337 42.189 40.800 0.087 0.000 1.067 542 D HN 0.662 nan 8.370 nan 0.000 0.484 543 A N 2.952 125.856 122.820 0.140 0.000 2.460 543 A HA 0.099 4.419 4.320 -0.000 0.000 0.258 543 A C 1.792 179.462 177.584 0.142 0.000 1.300 543 A CA 0.230 52.343 52.037 0.126 0.000 0.913 543 A CB -0.293 18.746 19.000 0.066 0.000 1.031 543 A HN 0.526 nan 8.150 nan 0.000 0.512 544 S N -0.720 115.050 115.700 0.118 0.000 2.419 544 S HA -0.083 4.386 4.470 -0.000 0.000 0.233 544 S C 1.787 176.453 174.600 0.111 0.000 1.016 544 S CA 1.216 59.478 58.200 0.103 0.000 0.974 544 S CB -0.670 62.575 63.200 0.075 0.000 0.786 544 S HN 0.648 nan 8.310 nan 0.000 0.492 545 G N 0.285 109.161 108.800 0.127 0.000 2.679 545 G HA2 0.060 4.020 3.960 -0.000 0.000 0.212 545 G HA3 0.060 4.020 3.960 -0.000 0.000 0.212 545 G C 0.145 175.137 174.900 0.153 0.000 1.137 545 G CA -0.374 44.797 45.100 0.120 0.000 0.787 545 G HN 0.558 nan 8.290 nan 0.000 0.534 546 F N 2.005 121.977 119.950 0.036 0.000 2.471 546 F HA 0.297 4.824 4.527 -0.000 0.000 0.365 546 F C -0.166 175.649 175.800 0.025 0.000 1.095 546 F CA -1.260 56.758 58.000 0.028 0.000 1.174 546 F CB 0.836 39.835 39.000 -0.002 0.000 1.105 546 F HN -0.098 nan 8.300 nan 0.000 0.535 547 D N 6.563 126.651 120.400 -0.520 0.000 2.359 547 D HA 0.100 4.739 4.640 -0.000 0.000 0.230 547 D C 0.833 176.791 176.300 -0.570 0.000 1.118 547 D CA -0.240 53.532 54.000 -0.381 0.000 0.844 547 D CB 1.138 41.818 40.800 -0.201 0.000 1.059 547 D HN 0.577 nan 8.370 nan 0.000 0.493 548 L N 4.105 125.122 121.223 -0.344 0.000 2.042 548 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 548 L C 2.450 179.236 176.870 -0.140 0.000 1.076 548 L CA 1.940 56.648 54.840 -0.220 0.000 0.749 548 L CB -0.559 41.481 42.059 -0.031 0.000 0.893 548 L HN 0.598 nan 8.230 nan 0.000 0.432 549 A N -1.421 121.337 122.820 -0.104 0.000 2.066 549 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 549 A C 2.156 179.706 177.584 -0.057 0.000 1.157 549 A CA 1.205 53.210 52.037 -0.054 0.000 0.670 549 A CB -0.538 18.440 19.000 -0.037 0.000 0.804 549 A HN 0.336 nan 8.150 nan 0.000 0.453 550 L N -0.907 120.250 121.223 -0.111 0.000 2.209 550 L HA 0.280 4.620 4.340 -0.000 0.000 0.207 550 L C 1.541 178.379 176.870 -0.053 0.000 1.094 550 L CA 1.822 56.611 54.840 -0.085 0.000 0.790 550 L CB -0.583 41.411 42.059 -0.109 0.000 0.932 550 L HN 0.716 nan 8.230 nan 0.000 0.447 551 G N -0.903 107.821 108.800 -0.126 0.000 2.198 551 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.257 551 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.257 551 G C 0.443 175.454 174.900 0.185 0.000 1.042 551 G CA 0.371 45.532 45.100 0.102 0.000 0.791 551 G HN 1.028 nan 8.290 nan 0.000 0.502 552 G N -2.290 106.392 108.800 -0.197 0.000 2.576 552 G HA2 0.683 4.643 3.960 -0.000 0.000 0.290 552 G HA3 0.683 4.643 3.960 -0.000 0.000 0.290 552 G C -0.677 174.196 174.900 -0.046 0.000 1.442 552 G CA 0.313 45.459 45.100 0.077 0.000 0.792 552 G HN 0.671 nan 8.290 nan 0.000 0.491 553 T N 0.730 115.389 114.554 0.176 0.000 2.817 553 T HA 0.297 4.647 4.350 -0.000 0.000 0.293 553 T C 1.473 176.217 174.700 0.072 0.000 0.964 553 T CA -0.152 62.045 62.100 0.162 0.000 1.085 553 T CB 1.364 70.366 68.868 0.223 0.000 0.921 553 T HN 0.459 nan 8.240 nan 0.000 0.502 554 R N 1.334 121.860 120.500 0.042 0.000 2.075 554 R HA 0.085 4.424 4.340 -0.000 0.000 0.220 554 R C 1.084 177.412 176.300 0.048 0.000 1.118 554 R CA 0.664 56.783 56.100 0.032 0.000 0.986 554 R CB 0.060 30.366 30.300 0.011 0.000 0.884 554 R HN 0.706 nan 8.270 nan 0.000 0.439 555 T N -0.284 114.308 114.554 0.062 0.000 2.885 555 T HA 0.429 4.779 4.350 -0.000 0.000 0.285 555 T C -2.818 171.939 174.700 0.096 0.000 1.019 555 T CA -2.637 59.504 62.100 0.068 0.000 1.010 555 T CB 2.352 71.254 68.868 0.057 0.000 1.022 555 T HN -0.220 nan 8.240 nan 0.000 0.466 556 P HA 0.031 nan 4.420 nan 0.000 0.263 556 P C -0.069 177.316 177.300 0.142 0.000 1.168 556 P CA -0.265 62.907 63.100 0.121 0.000 0.759 556 P CB 0.182 31.945 31.700 0.104 0.000 0.782 557 V N 5.536 125.551 119.914 0.168 0.000 2.509 557 V HA -0.068 4.052 4.120 -0.000 0.000 0.297 557 V C 1.235 177.473 176.094 0.240 0.000 1.014 557 V CA 0.824 63.236 62.300 0.187 0.000 1.127 557 V CB -0.637 31.266 31.823 0.133 0.000 0.925 557 V HN 0.437 nan 8.190 nan 0.000 0.480 558 R N 4.097 124.738 120.500 0.236 0.000 2.387 558 R HA 0.438 4.778 4.340 -0.000 0.000 0.314 558 R C -0.469 175.893 176.300 0.102 0.000 0.958 558 R CA -0.916 55.282 56.100 0.164 0.000 0.846 558 R CB 1.584 31.938 30.300 0.089 0.000 1.147 558 R HN 0.686 nan 8.270 nan 0.000 0.447 559 L N 3.316 124.498 121.223 -0.068 0.000 2.462 559 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 559 L C -0.211 176.513 176.870 -0.244 0.000 1.166 559 L CA 0.414 54.965 54.840 -0.481 0.000 0.880 559 L CB 0.418 42.215 42.059 -0.436 0.000 1.142 559 L HN 0.528 nan 8.230 nan 0.000 0.473 560 D N 6.939 127.187 120.400 -0.254 0.000 2.505 560 D HA 0.301 4.941 4.640 -0.000 0.000 0.242 560 D C -1.910 174.326 176.300 -0.107 0.000 1.136 560 D CA -2.164 51.765 54.000 -0.118 0.000 0.954 560 D CB 0.999 41.762 40.800 -0.062 0.000 1.002 560 D HN 0.275 nan 8.370 nan 0.000 0.512 561 P HA 0.085 nan 4.420 nan 0.000 0.252 561 P C -0.345 176.929 177.300 -0.042 0.000 1.265 561 P CA 0.315 63.372 63.100 -0.071 0.000 0.775 561 P CB -0.026 31.639 31.700 -0.059 0.000 1.128 562 D N -2.954 117.426 120.400 -0.034 0.000 2.571 562 D HA 0.058 4.697 4.640 -0.000 0.000 0.239 562 D C -0.442 175.849 176.300 -0.015 0.000 1.267 562 D CA -0.302 53.686 54.000 -0.020 0.000 0.823 562 D CB -0.685 40.106 40.800 -0.013 0.000 1.056 562 D HN -0.205 nan 8.370 nan 0.000 0.494 563 T N 2.134 116.676 114.554 -0.019 0.000 3.154 563 T HA 0.425 4.774 4.350 -0.000 0.000 0.381 563 T C -2.675 172.017 174.700 -0.013 0.000 1.368 563 T CA -1.324 60.770 62.100 -0.009 0.000 1.155 563 T CB 1.295 70.162 68.868 -0.002 0.000 1.120 563 T HN 0.006 nan 8.240 nan 0.000 0.570 564 P HA 0.391 nan 4.420 nan 0.000 0.277 564 P C -0.749 176.555 177.300 0.006 0.000 1.240 564 P CA -0.593 62.502 63.100 -0.008 0.000 0.798 564 P CB 0.830 32.527 31.700 -0.005 0.000 0.979 565 V N 4.009 123.931 119.914 0.012 0.000 2.289 565 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 565 V C -1.883 174.229 176.094 0.030 0.000 1.026 565 V CA -1.561 60.756 62.300 0.028 0.000 0.807 565 V CB 0.731 32.581 31.823 0.045 0.000 1.044 565 V HN 0.613 nan 8.190 nan 0.000 0.443 566 P HA 0.291 nan 4.420 nan 0.000 0.274 566 P C -0.334 176.988 177.300 0.036 0.000 1.231 566 P CA -0.352 62.763 63.100 0.026 0.000 0.790 566 P CB 1.246 32.958 31.700 0.020 0.000 0.951 567 L N 1.001 122.246 121.223 0.036 0.000 2.426 567 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 567 L C 1.180 178.078 176.870 0.047 0.000 1.169 567 L CA -0.788 54.081 54.840 0.047 0.000 0.836 567 L CB 0.024 42.110 42.059 0.045 0.000 1.112 567 L HN 0.444 nan 8.230 nan 0.000 0.465 568 A N 4.492 127.350 122.820 0.062 0.000 2.540 568 A HA 0.206 4.525 4.320 -0.000 0.000 0.239 568 A C -1.412 176.201 177.584 0.048 0.000 1.061 568 A CA -0.919 51.155 52.037 0.061 0.000 0.758 568 A CB -0.194 18.860 19.000 0.089 0.000 0.991 568 A HN 0.656 nan 8.150 nan 0.000 0.502 569 P HA -0.128 nan 4.420 nan 0.000 0.221 569 P C 0.519 177.830 177.300 0.019 0.000 1.145 569 P CA 1.387 64.496 63.100 0.015 0.000 0.795 569 P CB -0.037 31.663 31.700 0.000 0.000 0.775 570 N N -0.650 118.079 118.700 0.048 0.000 2.276 570 N HA -0.028 4.711 4.740 -0.000 0.000 0.212 570 N C 0.702 176.250 175.510 0.064 0.000 1.127 570 N CA 0.067 53.154 53.050 0.061 0.000 0.834 570 N CB -0.533 38.026 38.487 0.120 0.000 1.014 570 N HN 0.223 nan 8.380 nan 0.000 0.491 571 E N 0.485 120.721 120.200 0.061 0.000 2.734 571 E HA 0.199 4.549 4.350 -0.000 0.000 0.211 571 E C 0.194 176.839 176.600 0.074 0.000 0.991 571 E CA -0.068 56.386 56.400 0.090 0.000 1.065 571 E CB 0.122 29.891 29.700 0.114 0.000 1.047 571 E HN 0.270 nan 8.360 nan 0.000 0.470 572 L N -0.290 120.941 121.223 0.014 0.000 2.640 572 L HA 0.404 4.744 4.340 -0.000 0.000 0.230 572 L C 1.238 178.064 176.870 -0.074 0.000 1.123 572 L CA -0.056 54.777 54.840 -0.011 0.000 0.900 572 L CB 0.555 42.579 42.059 -0.058 0.000 1.146 572 L HN 0.099 nan 8.230 nan 0.000 0.484 573 G N -1.106 107.643 108.800 -0.085 0.000 2.945 573 G HA2 0.251 4.211 3.960 -0.000 0.000 0.156 573 G HA3 0.251 4.211 3.960 -0.000 0.000 0.156 573 G C -0.967 173.974 174.900 0.069 0.000 1.375 573 G CA -0.488 44.529 45.100 -0.138 0.000 1.039 573 G HN 0.227 nan 8.290 nan 0.000 0.586 574 H N 0.345 119.599 119.070 0.307 0.000 2.562 574 H HA 0.505 5.061 4.556 -0.000 0.000 0.314 574 H C -0.072 175.406 175.328 0.251 0.000 1.079 574 H CA -0.262 55.962 56.048 0.292 0.000 1.349 574 H CB 1.389 31.316 29.762 0.276 0.000 1.432 574 H HN 0.006 nan 8.280 nan 0.000 0.479 575 K N 1.893 122.551 120.400 0.431 0.000 2.385 575 K HA 0.154 4.474 4.320 -0.000 0.000 0.248 575 K C -0.233 176.555 176.600 0.314 0.000 0.955 575 K CA -0.680 55.804 56.287 0.328 0.000 0.816 575 K CB 2.148 34.889 32.500 0.403 0.000 1.250 575 K HN 0.836 nan 8.250 nan 0.000 0.434 576 D N -1.885 118.525 120.400 0.017 0.000 2.525 576 D HA 0.099 4.739 4.640 -0.000 0.000 0.231 576 D C -0.344 175.709 176.300 -0.413 0.000 1.216 576 D CA -0.063 53.899 54.000 -0.064 0.000 0.813 576 D CB 0.532 41.479 40.800 0.245 0.000 1.108 576 D HN 0.047 nan 8.370 nan 0.000 0.524 577 V N 1.119 120.659 119.914 -0.623 0.000 2.531 577 V HA 0.550 4.670 4.120 -0.000 0.000 0.301 577 V C -1.327 174.327 176.094 -0.734 0.000 1.034 577 V CA -0.777 61.148 62.300 -0.624 0.000 0.865 577 V CB 1.358 33.044 31.823 -0.228 0.000 0.995 577 V HN 0.049 nan 8.190 nan 0.000 0.424 578 F N 1.788 121.752 119.950 0.024 0.000 2.507 578 F HA 0.488 5.015 4.527 -0.000 0.000 0.328 578 F C 0.448 176.251 175.800 0.005 0.000 1.136 578 F CA -0.822 57.184 58.000 0.010 0.000 0.930 578 F CB 1.508 40.497 39.000 -0.018 0.000 1.166 578 F HN 0.380 nan 8.300 nan 0.000 0.436 579 Q N 2.550 122.467 119.800 0.196 0.000 2.239 579 Q HA 0.189 4.528 4.340 -0.000 0.000 0.286 579 Q C -0.570 175.524 176.000 0.157 0.000 1.102 579 Q CA -0.014 55.879 55.803 0.151 0.000 0.936 579 Q CB 1.151 29.970 28.738 0.135 0.000 1.127 579 Q HN 0.484 nan 8.270 nan 0.000 0.380 580 V N 6.266 126.261 119.914 0.134 0.000 2.259 580 V HA 0.241 4.360 4.120 -0.000 0.000 0.267 580 V C -2.111 174.060 176.094 0.130 0.000 1.051 580 V CA -1.821 60.560 62.300 0.135 0.000 0.830 580 V CB 0.434 32.330 31.823 0.122 0.000 1.080 580 V HN 0.639 nan 8.190 nan 0.000 0.467 581 P HA 0.466 nan 4.420 nan 0.000 0.276 581 P C 0.636 177.988 177.300 0.087 0.000 1.261 581 P CA 0.686 63.834 63.100 0.081 0.000 0.800 581 P CB 0.776 32.516 31.700 0.068 0.000 1.066 582 G N 0.214 109.053 108.800 0.065 0.000 2.806 582 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.236 582 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.236 582 G C -2.616 172.326 174.900 0.070 0.000 1.387 582 G CA -0.766 44.371 45.100 0.061 0.000 0.884 582 G HN 0.566 nan 8.290 nan 0.000 0.560 583 P HA 0.236 nan 4.420 nan 0.000 0.273 583 P C -0.268 177.122 177.300 0.149 0.000 1.319 583 P CA 0.720 63.871 63.100 0.085 0.000 0.885 583 P CB 0.981 32.736 31.700 0.093 0.000 1.015 584 Q N 1.970 121.853 119.800 0.138 0.000 2.527 584 Q HA 0.584 4.924 4.340 -0.000 0.000 0.280 584 Q C -1.259 174.837 176.000 0.159 0.000 0.977 584 Q CA -0.814 55.125 55.803 0.227 0.000 0.837 584 Q CB 2.421 31.256 28.738 0.162 0.000 1.454 584 Q HN 0.463 nan 8.270 nan 0.000 0.387 585 G N 1.452 110.433 108.800 0.303 0.000 2.461 585 G HA2 0.606 4.566 3.960 -0.000 0.000 0.323 585 G HA3 0.606 4.566 3.960 -0.000 0.000 0.323 585 G C -1.798 173.219 174.900 0.195 0.000 1.229 585 G CA -0.356 44.862 45.100 0.198 0.000 0.941 585 G HN 0.394 nan 8.290 nan 0.000 0.477 586 L N 1.449 122.771 121.223 0.165 0.000 2.365 586 L HA 0.754 5.094 4.340 -0.000 0.000 0.273 586 L C -0.230 176.701 176.870 0.102 0.000 1.000 586 L CA -0.851 54.076 54.840 0.144 0.000 0.819 586 L CB 1.804 43.968 42.059 0.175 0.000 1.284 586 L HN 0.506 nan 8.230 nan 0.000 0.418 587 R N 3.999 124.525 120.500 0.044 0.000 2.343 587 R HA 0.751 5.090 4.340 -0.000 0.000 0.320 587 R C -1.157 175.115 176.300 -0.047 0.000 0.956 587 R CA -0.674 55.431 56.100 0.007 0.000 0.836 587 R CB 1.844 32.150 30.300 0.009 0.000 1.151 587 R HN 0.625 nan 8.270 nan 0.000 0.450 588 V N 0.417 120.283 119.914 -0.079 0.000 2.864 588 V HA 0.693 4.813 4.120 -0.000 0.000 0.314 588 V C -0.473 175.647 176.094 0.043 0.000 1.073 588 V CA -1.065 61.169 62.300 -0.109 0.000 0.956 588 V CB 2.155 33.714 31.823 -0.440 0.000 1.023 588 V HN 0.756 nan 8.190 nan 0.000 0.435 589 M N 2.486 122.147 119.600 0.102 0.000 2.464 589 M HA 0.884 5.364 4.480 -0.000 0.000 0.308 589 M C -0.251 176.037 176.300 -0.019 0.000 1.127 589 M CA -0.114 55.226 55.300 0.067 0.000 0.913 589 M CB 2.176 34.747 32.600 -0.049 0.000 1.689 589 M HN 1.247 nan 8.290 nan 0.000 0.445 590 G N 2.415 111.060 108.800 -0.259 0.000 2.698 590 G HA2 0.411 4.370 3.960 -0.000 0.000 0.293 590 G HA3 0.411 4.370 3.960 -0.000 0.000 0.293 590 G C -2.326 172.183 174.900 -0.652 0.000 1.437 590 G CA -0.737 43.816 45.100 -0.910 0.000 0.852 590 G HN 0.688 nan 8.290 nan 0.000 0.499 591 K N 0.660 120.610 120.400 -0.751 0.000 2.240 591 K HA 0.537 4.857 4.320 -0.000 0.000 0.271 591 K C -1.133 175.061 176.600 -0.677 0.000 1.018 591 K CA -0.668 55.211 56.287 -0.680 0.000 0.874 591 K CB 0.660 32.760 32.500 -0.667 0.000 1.098 591 K HN 0.245 nan 8.250 nan 0.000 0.458 592 F N 3.503 123.265 119.950 -0.313 0.000 2.377 592 F HA 0.196 4.723 4.527 -0.000 0.000 0.360 592 F C -0.001 175.716 175.800 -0.138 0.000 1.147 592 F CA -0.431 57.462 58.000 -0.178 0.000 1.170 592 F CB 0.738 39.711 39.000 -0.044 0.000 1.339 592 F HN 0.534 nan 8.300 nan 0.000 0.552 593 D N 1.103 121.458 120.400 -0.075 0.000 2.896 593 D HA 0.500 5.140 4.640 -0.000 0.000 0.241 593 D C 0.433 176.666 176.300 -0.112 0.000 1.188 593 D CA 0.047 53.984 54.000 -0.105 0.000 0.879 593 D CB 1.682 42.378 40.800 -0.174 0.000 1.553 593 D HN 0.596 nan 8.370 nan 0.000 0.515 594 G N 1.602 110.319 108.800 -0.138 0.000 2.143 594 G HA2 0.233 4.193 3.960 -0.000 0.000 0.249 594 G HA3 0.233 4.193 3.960 -0.000 0.000 0.249 594 G C 0.264 175.044 174.900 -0.200 0.000 0.981 594 G CA 0.367 45.380 45.100 -0.145 0.000 0.665 594 G HN 1.158 nan 8.290 nan 0.000 0.528 595 A N -1.623 121.006 122.820 -0.318 0.000 2.586 595 A HA 0.859 5.179 4.320 -0.000 0.000 0.290 595 A C -1.192 176.170 177.584 -0.370 0.000 1.086 595 A CA -0.724 51.138 52.037 -0.292 0.000 0.665 595 A CB 0.984 19.997 19.000 0.021 0.000 1.279 595 A HN 1.039 nan 8.150 nan 0.000 0.423 596 Y N -0.561 119.911 120.300 0.288 0.000 2.602 596 Y HA 0.834 5.384 4.550 -0.000 0.000 0.342 596 Y C 0.922 177.018 175.900 0.327 0.000 1.029 596 Y CA 0.060 58.340 58.100 0.300 0.000 1.080 596 Y CB 2.106 40.660 38.460 0.156 0.000 1.284 596 Y HN 1.972 nan 8.280 nan 0.000 0.485 597 G N 0.707 109.764 108.800 0.429 0.000 2.280 597 G HA2 0.054 4.014 3.960 -0.000 0.000 0.277 597 G HA3 0.054 4.014 3.960 -0.000 0.000 0.277 597 G C -1.738 173.047 174.900 -0.191 0.000 1.288 597 G CA -1.270 43.826 45.100 -0.007 0.000 1.075 597 G HN 0.642 nan 8.290 nan 0.000 0.480 598 R N -0.288 119.894 120.500 -0.529 0.000 2.294 598 R HA 0.751 5.091 4.340 -0.000 0.000 0.319 598 R C -0.879 174.999 176.300 -0.703 0.000 0.984 598 R CA -0.354 55.458 56.100 -0.480 0.000 0.861 598 R CB 0.440 30.407 30.300 -0.555 0.000 1.104 598 R HN 0.353 nan 8.270 nan 0.000 0.451 599 F N 2.103 121.903 119.950 -0.249 0.000 2.814 599 F HA 0.589 5.116 4.527 -0.000 0.000 0.353 599 F C -0.328 175.284 175.800 -0.313 0.000 1.177 599 F CA -1.025 56.782 58.000 -0.322 0.000 1.036 599 F CB 1.288 39.829 39.000 -0.766 0.000 1.455 599 F HN 0.281 nan 8.300 nan 0.000 0.520 600 M N 0.571 120.058 119.600 -0.188 0.000 2.518 600 M HA 0.457 4.937 4.480 -0.000 0.000 0.300 600 M C -1.715 174.758 176.300 0.289 0.000 1.175 600 M CA -0.655 54.570 55.300 -0.125 0.000 0.890 600 M CB 2.157 34.396 32.600 -0.601 0.000 1.710 600 M HN 0.459 nan 8.290 nan 0.000 0.453 601 Y N 0.314 120.874 120.300 0.434 0.000 2.576 601 Y HA 0.936 5.485 4.550 -0.000 0.000 0.346 601 Y C -1.229 174.880 175.900 0.349 0.000 1.018 601 Y CA -0.924 57.393 58.100 0.363 0.000 1.050 601 Y CB 1.284 40.107 38.460 0.606 0.000 1.280 601 Y HN 0.905 nan 8.280 nan 0.000 0.474 602 H N -0.462 118.817 119.070 0.348 0.000 2.951 602 H HA 0.378 4.934 4.556 -0.000 0.000 0.292 602 H C -1.594 173.887 175.328 0.256 0.000 1.412 602 H CA -1.519 54.638 56.048 0.182 0.000 1.206 602 H CB 0.293 30.093 29.762 0.064 0.000 1.862 602 H HN 1.145 nan 8.280 nan 0.000 0.502 603 C N 1.626 121.111 119.300 0.308 0.000 2.676 603 C HA 0.134 4.594 4.460 -0.000 0.000 0.416 603 C C 1.154 176.396 174.990 0.419 0.000 1.299 603 C CA 0.059 59.260 59.018 0.305 0.000 2.048 603 C CB -0.552 27.374 27.740 0.311 0.000 2.713 603 C HN 1.003 nan 8.230 nan 0.000 0.624 604 H N 3.977 123.213 119.070 0.276 0.000 2.505 604 H HA 0.295 4.851 4.556 -0.000 0.000 0.289 604 H C -0.004 175.390 175.328 0.109 0.000 1.052 604 H CA 0.098 56.299 56.048 0.255 0.000 1.156 604 H CB -0.013 29.878 29.762 0.214 0.000 1.507 604 H HN 0.593 nan 8.280 nan 0.000 0.548 605 L N 2.225 123.540 121.223 0.153 0.000 2.385 605 L HA 0.048 4.388 4.340 -0.000 0.000 0.281 605 L C 1.576 178.373 176.870 -0.122 0.000 1.106 605 L CA -0.194 54.624 54.840 -0.035 0.000 0.856 605 L CB 1.050 42.987 42.059 -0.203 0.000 1.186 605 L HN 0.158 nan 8.230 nan 0.000 0.453 606 L N 1.922 123.042 121.223 -0.171 0.000 2.079 606 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 606 L C 2.011 178.724 176.870 -0.263 0.000 1.081 606 L CA 1.138 55.825 54.840 -0.254 0.000 0.752 606 L CB -0.231 41.661 42.059 -0.278 0.000 0.896 606 L HN 0.662 nan 8.230 nan 0.000 0.433 607 E N -0.709 119.344 120.200 -0.245 0.000 2.153 607 E HA -0.169 4.180 4.350 -0.000 0.000 0.194 607 E C 1.986 178.538 176.600 -0.079 0.000 0.988 607 E CA 1.141 57.420 56.400 -0.202 0.000 0.811 607 E CB -0.241 29.370 29.700 -0.149 0.000 0.746 607 E HN 0.590 nan 8.360 nan 0.000 0.466 608 H N -0.547 118.466 119.070 -0.095 0.000 2.343 608 H HA 0.037 4.593 4.556 -0.000 0.000 0.303 608 H C 2.019 177.280 175.328 -0.111 0.000 1.068 608 H CA 0.774 56.783 56.048 -0.064 0.000 1.359 608 H CB 0.183 29.980 29.762 0.058 0.000 1.402 608 H HN 0.146 nan 8.280 nan 0.000 0.515 609 E N 0.901 121.092 120.200 -0.014 0.000 2.086 609 E HA -0.244 4.106 4.350 -0.000 0.000 0.200 609 E C 1.310 177.769 176.600 -0.235 0.000 1.012 609 E CA 1.718 58.021 56.400 -0.161 0.000 0.812 609 E CB 0.070 29.586 29.700 -0.307 0.000 0.743 609 E HN 0.394 nan 8.360 nan 0.000 0.453 610 D N -0.546 119.704 120.400 -0.249 0.000 2.264 610 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 610 D C 0.895 177.076 176.300 -0.198 0.000 0.966 610 D CA 0.851 54.695 54.000 -0.259 0.000 0.864 610 D CB 0.081 40.683 40.800 -0.330 0.000 0.933 610 D HN 0.245 nan 8.370 nan 0.000 0.499 611 M N -0.956 118.538 119.600 -0.177 0.000 2.738 611 M HA 0.245 4.725 4.480 -0.000 0.000 0.295 611 M C 0.822 177.046 176.300 -0.127 0.000 1.266 611 M CA -0.093 55.089 55.300 -0.197 0.000 0.985 611 M CB 0.986 33.361 32.600 -0.375 0.000 1.365 611 M HN 0.059 nan 8.290 nan 0.000 0.492 612 G N 0.691 109.435 108.800 -0.093 0.000 2.175 612 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 612 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 612 G C 0.332 175.246 174.900 0.023 0.000 0.982 612 G CA -0.186 44.909 45.100 -0.009 0.000 0.641 612 G HN 0.505 nan 8.290 nan 0.000 0.527 613 M N 0.854 120.449 119.600 -0.009 0.000 3.596 613 M HA 0.723 5.203 4.480 -0.000 0.000 0.219 613 M C 0.082 176.409 176.300 0.045 0.000 1.471 613 M CA 0.312 55.629 55.300 0.028 0.000 1.644 613 M CB -0.284 32.336 32.600 0.033 0.000 1.083 613 M HN 0.396 nan 8.290 nan 0.000 0.579 614 M N 1.357 120.980 119.600 0.038 0.000 2.426 614 M HA 0.486 4.966 4.480 -0.000 0.000 0.289 614 M C -1.894 174.469 176.300 0.106 0.000 1.168 614 M CA -0.636 54.686 55.300 0.038 0.000 0.933 614 M CB 1.694 34.218 32.600 -0.127 0.000 1.750 614 M HN 0.221 nan 8.290 nan 0.000 0.494 615 R N 3.327 123.748 120.500 -0.131 0.000 2.725 615 R HA 0.688 5.028 4.340 -0.000 0.000 0.277 615 R C -2.956 173.357 176.300 0.021 0.000 0.987 615 R CA -1.547 54.435 56.100 -0.196 0.000 0.901 615 R CB 2.345 32.267 30.300 -0.630 0.000 1.207 615 R HN 0.429 nan 8.270 nan 0.000 0.463 616 P HA 0.406 nan 4.420 nan 0.000 0.278 616 P C -0.995 176.533 177.300 0.380 0.000 1.258 616 P CA -0.277 62.962 63.100 0.232 0.000 0.811 616 P CB 0.693 32.481 31.700 0.147 0.000 1.063 617 F N -1.351 118.828 119.950 0.382 0.000 2.626 617 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 617 F C -1.645 174.373 175.800 0.363 0.000 1.088 617 F CA -1.467 56.765 58.000 0.387 0.000 0.949 617 F CB 0.951 40.298 39.000 0.580 0.000 1.322 617 F HN -0.015 nan 8.300 nan 0.000 0.461 618 V N 2.539 122.716 119.914 0.439 0.000 2.495 618 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 618 V C -0.762 175.583 176.094 0.418 0.000 1.031 618 V CA -0.858 61.625 62.300 0.306 0.000 0.871 618 V CB 1.676 33.593 31.823 0.156 0.000 0.988 618 V HN 0.759 nan 8.190 nan 0.000 0.432 619 V N 6.796 126.994 119.914 0.474 0.000 2.370 619 V HA 0.596 4.715 4.120 -0.000 0.000 0.283 619 V C 0.012 176.356 176.094 0.417 0.000 1.023 619 V CA -0.308 62.260 62.300 0.447 0.000 0.857 619 V CB 1.319 33.455 31.823 0.522 0.000 0.985 619 V HN 0.954 nan 8.190 nan 0.000 0.443 620 M N 5.288 125.081 119.600 0.321 0.000 2.658 620 M HA 0.795 5.275 4.480 -0.000 0.000 0.295 620 M C -3.039 173.387 176.300 0.210 0.000 1.248 620 M CA -2.297 53.141 55.300 0.231 0.000 0.843 620 M CB 2.511 35.172 32.600 0.102 0.000 1.749 620 M HN 0.198 nan 8.290 nan 0.000 0.464 621 P HA 0.191 nan 4.420 nan 0.000 0.265 621 P C -2.246 175.103 177.300 0.081 0.000 1.193 621 P CA -0.694 62.444 63.100 0.062 0.000 0.765 621 P CB -0.127 31.500 31.700 -0.122 0.000 0.823 622 P HA -0.214 nan 4.420 nan 0.000 0.216 622 P C 1.080 178.403 177.300 0.039 0.000 1.150 622 P CA 1.600 64.739 63.100 0.064 0.000 0.843 622 P CB -0.034 31.703 31.700 0.061 0.000 0.787 623 E N -0.514 119.715 120.200 0.048 0.000 2.153 623 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 623 E C 2.065 178.733 176.600 0.114 0.000 0.988 623 E CA 1.441 57.876 56.400 0.058 0.000 0.811 623 E CB -0.880 28.864 29.700 0.073 0.000 0.746 623 E HN 0.205 nan 8.360 nan 0.000 0.466 624 A N -0.008 122.878 122.820 0.110 0.000 2.123 624 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 624 A C 1.952 179.635 177.584 0.165 0.000 1.152 624 A CA 0.337 52.484 52.037 0.182 0.000 0.728 624 A CB -0.207 18.828 19.000 0.059 0.000 0.814 624 A HN 0.211 nan 8.150 nan 0.000 0.464 625 L N -0.371 120.894 121.223 0.070 0.000 2.217 625 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 625 L C 2.069 178.912 176.870 -0.046 0.000 1.107 625 L CA 1.289 56.149 54.840 0.032 0.000 0.783 625 L CB -0.177 41.897 42.059 0.025 0.000 0.919 625 L HN 0.162 nan 8.230 nan 0.000 0.442 626 K N -0.661 119.639 120.400 -0.167 0.000 2.218 626 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 626 K C 1.375 177.663 176.600 -0.520 0.000 1.046 626 K CA 1.495 57.526 56.287 -0.426 0.000 0.933 626 K CB -0.347 31.718 32.500 -0.726 0.000 0.728 626 K HN 0.343 nan 8.250 nan 0.000 0.454 627 F N 0.368 120.315 119.950 -0.004 0.000 2.664 627 F HA 0.126 4.653 4.527 -0.000 0.000 0.303 627 F C 0.191 175.987 175.800 -0.007 0.000 1.092 627 F CA -0.468 57.527 58.000 -0.008 0.000 1.305 627 F CB -0.022 38.970 39.000 -0.013 0.000 1.054 627 F HN 0.064 nan 8.300 nan 0.000 0.565 628 D N 0.000 120.459 120.400 0.098 0.000 6.856 628 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 628 D CA 0.000 54.034 54.000 0.056 0.000 0.868 628 D CB 0.000 40.829 40.800 0.049 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683