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 3dk8_1_A DATA FIRST_RESID 17 DATA SEQUENCE AVASYDYLVI GGGSGGLASA RRAAELGARA AVVESHKLGG TCVNVGCVPK DATA SEQUENCE KVMWNTAVHS EFMHDHADYG FPSCEGKFNW RVIKEKRDAY VSRLNAIYQN DATA SEQUENCE NLTKSHIEII RGHAAFTSDP KPTIEVSGKK YTAPHILIAT GGMPSTPHES DATA SEQUENCE QIPGASLGIT SDGFFQLEEL PGRSVIVGAG YIAVEMAGIL SALGSKTSLM DATA SEQUENCE IRHDKVLRSF DSMISTNCTE ELENAGVEVL KFSQVKEVKK TLSGLEVSMV DATA SEQUENCE TAVPGRLPVM TMIPDVDCLL WAIGRVPNTK DLSLNKLGIQ TDDKGHIIVD DATA SEQUENCE EFQNTNVKGI YAVGDVCGKA LLTPVAIAAG RKLAHRLFEY KEDSKLDYNN DATA SEQUENCE IPTVVFSHPP IGTVGLTEDE AIHKYGIENV KTYSTSFTPM YHAVTKRKTK DATA SEQUENCE CVMKMVCANK EEKVVGIHMQ GLGCDEMLQG FAVAVKMGAT KADFDNTVAI DATA SEQUENCE HPTSSEELVT LR 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.539 177.584 -0.076 0.000 1.274 17 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 17 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 18 V N 1.287 121.161 119.914 -0.066 0.000 2.569 18 V HA 0.734 4.857 4.120 0.004 0.000 0.301 18 V C 0.275 176.335 176.094 -0.058 0.000 1.044 18 V CA 0.208 62.463 62.300 -0.075 0.000 0.874 18 V CB 1.462 33.271 31.823 -0.024 0.000 1.002 18 V HN 2.152 nan 8.190 nan 0.000 0.424 19 A N 4.644 127.417 122.820 -0.080 0.000 2.363 19 A HA 0.754 5.076 4.320 0.004 0.000 0.270 19 A C 0.165 177.799 177.584 0.084 0.000 1.121 19 A CA 0.039 52.072 52.037 -0.007 0.000 0.800 19 A CB 1.050 20.101 19.000 0.085 0.000 1.052 19 A HN 0.994 nan 8.150 nan 0.000 0.493 20 S N 1.133 116.789 115.700 -0.072 0.000 2.509 20 S HA 0.762 5.234 4.470 0.004 0.000 0.297 20 S C -1.216 173.231 174.600 -0.255 0.000 1.118 20 S CA -0.326 57.870 58.200 -0.007 0.000 1.074 20 S CB 0.260 63.464 63.200 0.006 0.000 1.038 20 S HN 0.487 nan 8.310 nan 0.000 0.498 21 Y N 1.110 121.486 120.300 0.126 0.000 2.605 21 Y HA 0.390 4.942 4.550 0.004 0.000 0.343 21 Y C 1.048 177.048 175.900 0.167 0.000 1.036 21 Y CA -0.983 57.195 58.100 0.130 0.000 1.065 21 Y CB 1.082 39.618 38.460 0.127 0.000 1.288 21 Y HN 0.546 nan 8.280 nan 0.000 0.481 22 D N -0.069 120.526 120.400 0.325 0.000 2.183 22 D HA -0.122 4.521 4.640 0.004 0.000 0.203 22 D C -0.575 176.059 176.300 0.556 0.000 0.969 22 D CA 1.826 56.044 54.000 0.364 0.000 0.842 22 D CB 0.323 41.255 40.800 0.221 0.000 0.957 22 D HN 0.270 nan 8.370 nan 0.000 0.484 23 Y N 0.298 120.762 120.300 0.273 0.000 2.362 23 Y HA 0.397 4.950 4.550 0.005 0.000 0.326 23 Y C -1.518 174.460 175.900 0.129 0.000 1.083 23 Y CA -1.080 57.177 58.100 0.262 0.000 1.073 23 Y CB 0.873 39.398 38.460 0.108 0.000 1.211 23 Y HN -0.285 nan 8.280 nan 0.000 0.433 24 L N 6.540 127.796 121.223 0.055 0.000 2.325 24 L HA 0.681 5.024 4.340 0.004 0.000 0.281 24 L C -0.978 175.696 176.870 -0.327 0.000 1.004 24 L CA -1.127 53.609 54.840 -0.174 0.000 0.823 24 L CB 1.778 43.795 42.059 -0.070 0.000 1.236 24 L HN 0.339 nan 8.230 nan 0.000 0.415 25 V N 5.120 124.798 119.914 -0.394 0.000 2.384 25 V HA 0.407 4.529 4.120 0.004 0.000 0.287 25 V C 0.093 176.038 176.094 -0.249 0.000 1.020 25 V CA -0.375 61.711 62.300 -0.357 0.000 0.850 25 V CB 1.954 33.538 31.823 -0.399 0.000 0.987 25 V HN 0.505 nan 8.190 nan 0.000 0.436 26 I N 4.825 125.284 120.570 -0.184 0.000 2.291 26 I HA 0.711 4.884 4.170 0.004 0.000 0.290 26 I C 0.718 176.761 176.117 -0.123 0.000 1.050 26 I CA 0.014 61.206 61.300 -0.179 0.000 1.245 26 I CB 0.986 38.871 38.000 -0.192 0.000 1.405 26 I HN 0.858 nan 8.210 nan 0.000 0.478 27 G N 3.556 112.282 108.800 -0.123 0.000 3.187 27 G HA2 0.073 4.036 3.960 0.004 0.000 0.682 27 G HA3 0.073 4.036 3.960 0.004 0.000 0.682 27 G C -0.122 174.726 174.900 -0.087 0.000 1.266 27 G CA -0.543 44.508 45.100 -0.082 0.000 0.902 27 G HN 0.897 nan 8.290 nan 0.000 0.589 28 G N 0.569 109.323 108.800 -0.077 0.000 4.291 28 G HA2 0.686 4.648 3.960 0.004 0.000 0.304 28 G HA3 0.686 4.648 3.960 0.004 0.000 0.304 28 G C 0.789 175.629 174.900 -0.099 0.000 1.264 28 G CA 0.916 45.966 45.100 -0.084 0.000 1.039 28 G HN 1.256 nan 8.290 nan 0.000 0.578 29 G N -0.075 108.668 108.800 -0.095 0.000 2.606 29 G HA2 0.390 4.352 3.960 0.004 0.000 0.262 29 G HA3 0.390 4.352 3.960 0.004 0.000 0.262 29 G C 1.183 176.004 174.900 -0.132 0.000 1.394 29 G CA 0.309 45.338 45.100 -0.118 0.000 1.044 29 G HN 0.142 nan 8.290 nan 0.000 0.553 30 S N -0.282 115.343 115.700 -0.124 0.000 2.359 30 S HA -0.147 4.325 4.470 0.004 0.000 0.223 30 S C 2.486 177.048 174.600 -0.063 0.000 1.039 30 S CA 1.822 59.953 58.200 -0.113 0.000 1.042 30 S CB -0.732 62.423 63.200 -0.074 0.000 0.915 30 S HN 0.788 nan 8.310 nan 0.000 0.439 31 G N 0.891 109.672 108.800 -0.030 0.000 2.402 31 G HA2 0.005 3.967 3.960 0.004 0.000 0.216 31 G HA3 0.005 3.967 3.960 0.004 0.000 0.216 31 G C 1.427 176.326 174.900 -0.002 0.000 1.162 31 G CA 0.904 46.004 45.100 0.001 0.000 0.777 31 G HN 0.568 nan 8.290 nan 0.000 0.539 32 G N 0.829 109.611 108.800 -0.029 0.000 2.402 32 G HA2 -0.092 3.870 3.960 0.004 0.000 0.216 32 G HA3 -0.092 3.870 3.960 0.004 0.000 0.216 32 G C 1.823 176.692 174.900 -0.052 0.000 1.162 32 G CA 0.678 45.747 45.100 -0.051 0.000 0.777 32 G HN 0.403 nan 8.290 nan 0.000 0.539 33 L N 0.763 121.950 121.223 -0.061 0.000 1.989 33 L HA -0.109 4.233 4.340 0.004 0.000 0.211 33 L C 3.421 180.288 176.870 -0.005 0.000 1.071 33 L CA 1.289 56.102 54.840 -0.044 0.000 0.749 33 L CB -0.476 41.534 42.059 -0.082 0.000 0.890 33 L HN 0.303 nan 8.230 nan 0.000 0.431 34 A N -1.200 121.619 122.820 -0.002 0.000 1.898 34 A HA -0.213 4.110 4.320 0.004 0.000 0.216 34 A C 2.536 180.147 177.584 0.045 0.000 1.181 34 A CA 2.035 54.087 52.037 0.024 0.000 0.620 34 A CB -0.674 18.338 19.000 0.020 0.000 0.819 34 A HN 0.348 nan 8.150 nan 0.000 0.442 35 S N -0.621 115.118 115.700 0.066 0.000 2.368 35 S HA -0.003 4.469 4.470 0.004 0.000 0.224 35 S C 2.212 176.934 174.600 0.203 0.000 1.029 35 S CA 1.435 59.721 58.200 0.144 0.000 0.988 35 S CB -0.445 62.877 63.200 0.204 0.000 0.838 35 S HN 0.774 nan 8.310 nan 0.000 0.462 36 A N 1.693 124.584 122.820 0.118 0.000 1.902 36 A HA -0.088 4.234 4.320 0.004 0.000 0.217 36 A C 2.191 179.802 177.584 0.045 0.000 1.181 36 A CA 1.441 53.534 52.037 0.093 0.000 0.623 36 A CB -0.567 18.416 19.000 -0.027 0.000 0.818 36 A HN 0.595 nan 8.150 nan 0.000 0.443 37 R N -1.323 119.190 120.500 0.022 0.000 2.081 37 R HA -0.106 4.236 4.340 0.004 0.000 0.235 37 R C 2.431 178.718 176.300 -0.021 0.000 1.131 37 R CA 1.515 57.614 56.100 -0.001 0.000 0.960 37 R CB -0.247 30.060 30.300 0.013 0.000 0.856 37 R HN 0.399 nan 8.270 nan 0.000 0.436 38 R N 1.110 121.598 120.500 -0.019 0.000 2.090 38 R HA 0.017 4.360 4.340 0.004 0.000 0.228 38 R C 1.983 178.195 176.300 -0.146 0.000 1.110 38 R CA 1.630 57.682 56.100 -0.080 0.000 0.973 38 R CB -0.617 29.630 30.300 -0.089 0.000 0.869 38 R HN 0.221 nan 8.270 nan 0.000 0.440 39 A N 0.293 123.038 122.820 -0.124 0.000 1.902 39 A HA -0.066 4.257 4.320 0.004 0.000 0.217 39 A C 2.355 179.755 177.584 -0.306 0.000 1.181 39 A CA 1.850 53.706 52.037 -0.301 0.000 0.623 39 A CB -1.069 17.700 19.000 -0.386 0.000 0.818 39 A HN 0.454 nan 8.150 nan 0.000 0.443 40 A N -0.446 122.278 122.820 -0.161 0.000 1.933 40 A HA -0.189 4.133 4.320 0.004 0.000 0.218 40 A C 2.019 179.554 177.584 -0.082 0.000 1.175 40 A CA 1.762 53.735 52.037 -0.107 0.000 0.628 40 A CB -0.567 18.405 19.000 -0.046 0.000 0.814 40 A HN 0.679 nan 8.150 nan 0.000 0.444 41 E N -0.103 120.051 120.200 -0.076 0.000 2.160 41 E HA -0.172 4.180 4.350 0.004 0.000 0.195 41 E C 1.412 177.978 176.600 -0.056 0.000 0.991 41 E CA 1.088 57.458 56.400 -0.051 0.000 0.810 41 E CB -0.185 29.489 29.700 -0.042 0.000 0.742 41 E HN 0.651 nan 8.360 nan 0.000 0.466 42 L N -0.822 120.341 121.223 -0.100 0.000 2.599 42 L HA 0.175 4.518 4.340 0.004 0.000 0.230 42 L C 1.482 178.312 176.870 -0.066 0.000 1.141 42 L CA 0.482 55.274 54.840 -0.079 0.000 0.877 42 L CB 0.329 42.322 42.059 -0.110 0.000 1.009 42 L HN 0.421 nan 8.230 nan 0.000 0.447 43 G N -0.484 108.266 108.800 -0.083 0.000 2.195 43 G HA2 -0.236 3.726 3.960 0.004 0.000 0.224 43 G HA3 -0.236 3.726 3.960 0.004 0.000 0.224 43 G C 0.454 175.293 174.900 -0.100 0.000 0.990 43 G CA -0.168 44.899 45.100 -0.054 0.000 0.639 43 G HN 0.455 nan 8.290 nan 0.000 0.514 44 A N 0.421 123.085 122.820 -0.261 0.000 2.498 44 A HA 0.583 4.906 4.320 0.004 0.000 0.239 44 A C 0.812 178.316 177.584 -0.134 0.000 1.068 44 A CA 0.405 52.226 52.037 -0.360 0.000 0.766 44 A CB 0.100 18.512 19.000 -0.979 0.000 1.003 44 A HN 0.530 nan 8.150 nan 0.000 0.497 45 R N 1.416 121.902 120.500 -0.023 0.000 2.325 45 R HA 0.425 4.768 4.340 0.004 0.000 0.323 45 R C 0.068 176.494 176.300 0.211 0.000 1.177 45 R CA 0.406 56.564 56.100 0.096 0.000 1.018 45 R CB 0.473 30.829 30.300 0.095 0.000 1.070 45 R HN 0.746 nan 8.270 nan 0.000 0.495 46 A N 1.861 124.777 122.820 0.161 0.000 2.354 46 A HA 0.894 5.216 4.320 0.004 0.000 0.321 46 A C -0.937 176.639 177.584 -0.013 0.000 1.125 46 A CA -0.670 51.429 52.037 0.103 0.000 0.799 46 A CB 1.778 20.808 19.000 0.049 0.000 1.293 46 A HN 0.648 nan 8.150 nan 0.000 0.452 47 A N 0.322 122.997 122.820 -0.243 0.000 2.475 47 A HA 0.687 5.009 4.320 0.004 0.000 0.301 47 A C -1.296 176.085 177.584 -0.338 0.000 1.059 47 A CA -0.431 51.369 52.037 -0.394 0.000 0.710 47 A CB 1.495 19.980 19.000 -0.860 0.000 1.288 47 A HN 1.231 nan 8.150 nan 0.000 0.408 48 V N 2.139 121.889 119.914 -0.272 0.000 2.417 48 V HA 0.449 4.571 4.120 0.004 0.000 0.291 48 V C -0.258 175.686 176.094 -0.250 0.000 1.024 48 V CA -0.530 61.628 62.300 -0.237 0.000 0.861 48 V CB 1.560 33.289 31.823 -0.158 0.000 0.985 48 V HN 0.681 nan 8.190 nan 0.000 0.436 49 V N 3.926 123.683 119.914 -0.262 0.000 2.439 49 V HA 0.629 4.751 4.120 0.004 0.000 0.282 49 V C -0.225 175.769 176.094 -0.167 0.000 1.039 49 V CA -0.409 61.742 62.300 -0.248 0.000 0.913 49 V CB 1.525 33.169 31.823 -0.299 0.000 0.983 49 V HN 0.948 nan 8.190 nan 0.000 0.460 50 E N 2.689 122.813 120.200 -0.126 0.000 2.274 50 E HA 0.384 4.737 4.350 0.004 0.000 0.269 50 E C 0.402 176.976 176.600 -0.044 0.000 0.891 50 E CA -0.043 56.317 56.400 -0.066 0.000 0.784 50 E CB 2.071 31.741 29.700 -0.051 0.000 1.225 50 E HN 0.572 nan 8.360 nan 0.000 0.412 51 S N 2.861 118.570 115.700 0.016 0.000 2.501 51 S HA 0.128 4.601 4.470 0.004 0.000 0.220 51 S C 0.557 175.017 174.600 -0.234 0.000 0.997 51 S CA 0.628 58.809 58.200 -0.032 0.000 0.919 51 S CB -0.092 63.188 63.200 0.132 0.000 0.778 51 S HN 0.598 nan 8.310 nan 0.000 0.523 52 H N 0.698 119.766 119.070 -0.004 0.000 4.854 52 H HA 0.578 5.135 4.556 0.002 0.000 0.255 52 H C -0.586 174.734 175.328 -0.013 0.000 1.334 52 H CA -0.651 55.396 56.048 -0.003 0.000 0.630 52 H CB 0.346 30.111 29.762 0.004 0.000 1.417 52 H HN 0.011 nan 8.280 nan 0.000 0.481 53 K N 1.432 121.914 120.400 0.136 0.000 2.206 53 K HA 0.353 4.675 4.320 0.004 0.000 0.264 53 K C -0.764 175.845 176.600 0.015 0.000 0.967 53 K CA -0.399 55.918 56.287 0.051 0.000 0.844 53 K CB 1.679 34.202 32.500 0.039 0.000 1.099 53 K HN 0.170 nan 8.250 nan 0.000 0.441 54 L N 1.292 122.517 121.223 0.003 0.000 2.506 54 L HA -0.046 4.296 4.340 0.004 0.000 0.281 54 L C 1.435 178.272 176.870 -0.054 0.000 1.228 54 L CA 1.078 55.907 54.840 -0.018 0.000 0.850 54 L CB 0.107 42.178 42.059 0.020 0.000 1.110 54 L HN 1.115 nan 8.230 nan 0.000 0.496 55 G N 1.080 109.785 108.800 -0.158 0.000 2.234 55 G HA2 -0.114 3.849 3.960 0.004 0.000 0.235 55 G HA3 -0.114 3.849 3.960 0.004 0.000 0.235 55 G C 0.722 175.504 174.900 -0.197 0.000 0.997 55 G CA -0.046 44.885 45.100 -0.282 0.000 0.623 55 G HN 1.446 nan 8.290 nan 0.000 0.514 56 G N -0.661 108.069 108.800 -0.118 0.000 2.582 56 G HA2 -0.161 3.801 3.960 0.004 0.000 0.288 56 G HA3 -0.161 3.801 3.960 0.004 0.000 0.288 56 G C 1.113 175.963 174.900 -0.083 0.000 1.247 56 G CA 1.710 46.759 45.100 -0.085 0.000 0.972 56 G HN 1.357 nan 8.290 nan 0.000 0.557 57 T N -0.305 114.211 114.554 -0.063 0.000 2.777 57 T HA -0.167 4.186 4.350 0.004 0.000 0.266 57 T C 2.437 177.093 174.700 -0.072 0.000 1.040 57 T CA 2.348 64.420 62.100 -0.047 0.000 1.141 57 T CB -0.699 68.165 68.868 -0.007 0.000 0.868 57 T HN 0.950 nan 8.240 nan 0.000 0.444 58 C N 1.166 120.417 119.300 -0.081 0.000 2.393 58 C HA -0.092 4.370 4.460 0.004 0.000 0.276 58 C C 2.738 177.650 174.990 -0.130 0.000 1.215 58 C CA 0.893 59.857 59.018 -0.089 0.000 1.743 58 C CB -1.188 26.489 27.740 -0.105 0.000 2.044 58 C HN 0.379 nan 8.230 nan 0.000 0.464 59 V N 1.425 121.245 119.914 -0.157 0.000 2.407 59 V HA -0.089 4.033 4.120 0.004 0.000 0.245 59 V C 2.281 178.263 176.094 -0.186 0.000 1.041 59 V CA 2.222 64.421 62.300 -0.169 0.000 1.040 59 V CB -0.634 31.099 31.823 -0.149 0.000 0.671 59 V HN 0.582 nan 8.190 nan 0.000 0.455 60 N N 0.208 118.811 118.700 -0.162 0.000 2.439 60 N HA 0.012 4.755 4.740 0.004 0.000 0.176 60 N C 1.105 176.469 175.510 -0.243 0.000 1.029 60 N CA 1.661 54.617 53.050 -0.156 0.000 0.886 60 N CB 1.082 39.519 38.487 -0.083 0.000 1.057 60 N HN 0.523 nan 8.380 nan 0.000 0.437 61 V N -3.465 116.302 119.914 -0.243 0.000 3.157 61 V HA 0.656 4.779 4.120 0.004 0.000 0.361 61 V C 0.382 176.363 176.094 -0.188 0.000 1.421 61 V CA -0.205 61.932 62.300 -0.271 0.000 1.213 61 V CB 0.553 32.406 31.823 0.050 0.000 1.164 61 V HN 0.134 nan 8.190 nan 0.000 0.559 62 G N -0.489 108.165 108.800 -0.242 0.000 3.354 62 G HA2 0.249 4.211 3.960 0.004 0.000 0.174 62 G HA3 0.249 4.211 3.960 0.004 0.000 0.174 62 G C 0.810 175.684 174.900 -0.043 0.000 1.140 62 G CA 0.628 45.708 45.100 -0.033 0.000 0.897 62 G HN 0.154 nan 8.290 nan 0.000 0.685 63 C N -0.121 119.180 119.300 0.001 0.000 2.336 63 C HA -0.105 4.357 4.460 0.004 0.000 0.272 63 C C 2.953 177.920 174.990 -0.039 0.000 1.160 63 C CA 1.278 60.302 59.018 0.010 0.000 1.783 63 C CB -1.332 26.413 27.740 0.007 0.000 2.050 63 C HN 0.293 nan 8.230 nan 0.000 0.443 64 V N 2.388 122.254 119.914 -0.080 0.000 2.244 64 V HA -0.115 4.007 4.120 0.004 0.000 0.244 64 V C 0.130 176.196 176.094 -0.046 0.000 1.042 64 V CA 2.588 64.850 62.300 -0.063 0.000 1.006 64 V CB -1.911 29.829 31.823 -0.139 0.000 0.641 64 V HN 0.423 nan 8.190 nan 0.000 0.446 65 P HA -0.185 nan 4.420 nan 0.000 0.218 65 P C 1.592 178.988 177.300 0.161 0.000 1.149 65 P CA 1.400 64.427 63.100 -0.121 0.000 0.817 65 P CB -0.089 31.288 31.700 -0.538 0.000 0.785 66 K N 1.311 121.820 120.400 0.181 0.000 2.032 66 K HA -0.191 4.131 4.320 0.004 0.000 0.209 66 K C 2.111 178.830 176.600 0.198 0.000 1.048 66 K CA 1.817 58.331 56.287 0.379 0.000 0.927 66 K CB -0.511 32.170 32.500 0.303 0.000 0.712 66 K HN -0.112 nan 8.250 nan 0.000 0.441 67 K N 0.690 121.109 120.400 0.031 0.000 2.097 67 K HA -0.047 4.276 4.320 0.004 0.000 0.206 67 K C 1.994 178.661 176.600 0.112 0.000 1.049 67 K CA 1.109 57.360 56.287 -0.059 0.000 0.933 67 K CB -0.242 32.135 32.500 -0.205 0.000 0.717 67 K HN 0.010 nan 8.250 nan 0.000 0.442 68 V N 0.716 120.707 119.914 0.129 0.000 2.343 68 V HA -0.272 3.850 4.120 0.004 0.000 0.247 68 V C 2.290 178.458 176.094 0.125 0.000 1.051 68 V CA 1.711 64.085 62.300 0.124 0.000 1.036 68 V CB -0.456 31.442 31.823 0.125 0.000 0.654 68 V HN 0.355 nan 8.190 nan 0.000 0.451 69 M N -1.715 117.993 119.600 0.180 0.000 2.229 69 M HA -0.143 4.340 4.480 0.004 0.000 0.264 69 M C 1.931 178.344 176.300 0.188 0.000 1.063 69 M CA 1.333 56.730 55.300 0.160 0.000 1.114 69 M CB -1.271 31.498 32.600 0.282 0.000 1.387 69 M HN 0.629 nan 8.290 nan 0.000 0.420 70 W N 2.498 123.830 121.300 0.053 0.000 2.379 70 W HA -0.168 4.494 4.660 0.003 0.000 0.307 70 W C 1.949 178.496 176.519 0.046 0.000 1.200 70 W CA 1.551 58.929 57.345 0.055 0.000 1.297 70 W CB -0.421 29.014 29.460 -0.042 0.000 1.140 70 W HN 0.249 nan 8.180 nan 0.000 0.507 71 N N -0.302 118.469 118.700 0.119 0.000 2.149 71 N HA -0.171 4.571 4.740 0.004 0.000 0.188 71 N C 1.571 177.043 175.510 -0.063 0.000 1.019 71 N CA 2.393 55.428 53.050 -0.025 0.000 0.857 71 N CB -1.018 37.536 38.487 0.112 0.000 0.997 71 N HN 0.189 nan 8.380 nan 0.000 0.426 72 T N 0.874 115.400 114.554 -0.047 0.000 2.737 72 T HA -0.031 4.321 4.350 0.004 0.000 0.265 72 T C 1.988 176.553 174.700 -0.225 0.000 1.038 72 T CA 1.343 63.384 62.100 -0.098 0.000 1.144 72 T CB -0.352 68.448 68.868 -0.114 0.000 0.866 72 T HN 0.339 nan 8.240 nan 0.000 0.434 73 A N 1.071 123.737 122.820 -0.257 0.000 1.972 73 A HA -0.033 4.289 4.320 0.004 0.000 0.219 73 A C 2.533 179.825 177.584 -0.487 0.000 1.169 73 A CA 1.169 53.000 52.037 -0.344 0.000 0.635 73 A CB -0.921 17.958 19.000 -0.201 0.000 0.810 73 A HN 0.379 nan 8.150 nan 0.000 0.446 74 V N -0.602 118.962 119.914 -0.584 0.000 2.515 74 V HA -0.240 3.882 4.120 0.004 0.000 0.250 74 V C 2.323 177.767 176.094 -1.083 0.000 1.058 74 V CA 1.865 63.649 62.300 -0.860 0.000 1.064 74 V CB -1.119 30.125 31.823 -0.966 0.000 0.675 74 V HN 0.653 nan 8.190 nan 0.000 0.461 75 H N 0.703 119.390 119.070 -0.638 0.000 2.421 75 H HA -0.123 4.435 4.556 0.004 0.000 0.298 75 H C 2.614 177.705 175.328 -0.394 0.000 1.087 75 H CA 1.890 57.728 56.048 -0.349 0.000 1.330 75 H CB -0.031 29.673 29.762 -0.098 0.000 1.388 75 H HN 0.632 nan 8.280 nan 0.000 0.526 76 S N 0.399 115.885 115.700 -0.357 0.000 2.419 76 S HA -0.138 4.334 4.470 0.004 0.000 0.233 76 S C 1.843 176.030 174.600 -0.689 0.000 1.016 76 S CA 1.264 59.194 58.200 -0.450 0.000 0.974 76 S CB -0.078 62.890 63.200 -0.387 0.000 0.786 76 S HN 0.466 nan 8.310 nan 0.000 0.492 77 E N 0.157 119.991 120.200 -0.609 0.000 2.170 77 E HA 0.129 4.481 4.350 0.004 0.000 0.191 77 E C 1.541 177.993 176.600 -0.246 0.000 0.981 77 E CA 0.636 56.771 56.400 -0.442 0.000 0.830 77 E CB -0.234 29.268 29.700 -0.329 0.000 0.775 77 E HN 0.696 nan 8.360 nan 0.000 0.470 78 F N 0.936 120.747 119.950 -0.230 0.000 2.091 78 F HA -0.317 4.213 4.527 0.004 0.000 0.299 78 F C 2.657 178.377 175.800 -0.135 0.000 1.103 78 F CA 0.801 58.689 58.000 -0.187 0.000 1.228 78 F CB -0.307 38.482 39.000 -0.352 0.000 0.984 78 F HN 0.084 nan 8.300 nan 0.000 0.477 79 M N -0.029 119.530 119.600 -0.069 0.000 2.108 79 M HA -0.243 4.239 4.480 0.004 0.000 0.261 79 M C 2.267 178.598 176.300 0.053 0.000 1.066 79 M CA 1.858 57.112 55.300 -0.075 0.000 1.107 79 M CB -0.402 32.111 32.600 -0.145 0.000 1.356 79 M HN 0.157 nan 8.290 nan 0.000 0.406 80 H N -0.098 119.034 119.070 0.103 0.000 2.423 80 H HA -0.028 4.530 4.556 0.004 0.000 0.297 80 H C 1.071 176.511 175.328 0.187 0.000 1.075 80 H CA 1.272 57.391 56.048 0.119 0.000 1.342 80 H CB -0.535 29.273 29.762 0.077 0.000 1.395 80 H HN 0.480 nan 8.280 nan 0.000 0.530 81 D N -0.551 120.066 120.400 0.361 0.000 2.339 81 D HA -0.035 4.607 4.640 0.004 0.000 0.217 81 D C 1.756 178.316 176.300 0.432 0.000 1.050 81 D CA 0.208 54.444 54.000 0.394 0.000 0.856 81 D CB -0.113 40.993 40.800 0.510 0.000 0.922 81 D HN 0.380 nan 8.370 nan 0.000 0.518 82 H N 1.378 120.603 119.070 0.258 0.000 2.353 82 H HA 0.018 4.577 4.556 0.004 0.000 0.300 82 H C 2.001 177.532 175.328 0.338 0.000 1.090 82 H CA 1.822 58.023 56.048 0.254 0.000 1.327 82 H CB 0.122 29.956 29.762 0.121 0.000 1.383 82 H HN 0.096 nan 8.280 nan 0.000 0.508 83 A N 0.258 123.236 122.820 0.263 0.000 1.930 83 A HA -0.154 4.169 4.320 0.004 0.000 0.217 83 A C 2.010 179.661 177.584 0.112 0.000 1.175 83 A CA 1.761 53.894 52.037 0.160 0.000 0.627 83 A CB -0.321 18.759 19.000 0.134 0.000 0.815 83 A HN 0.435 nan 8.150 nan 0.000 0.443 84 D N -1.427 119.049 120.400 0.126 0.000 2.178 84 D HA -0.128 4.515 4.640 0.004 0.000 0.201 84 D C 0.960 177.215 176.300 -0.075 0.000 0.980 84 D CA 1.153 55.158 54.000 0.010 0.000 0.842 84 D CB -0.298 40.496 40.800 -0.011 0.000 0.948 84 D HN 0.649 nan 8.370 nan 0.000 0.472 85 Y N -0.413 119.929 120.300 0.069 0.000 2.471 85 Y HA 0.245 4.797 4.550 0.004 0.000 0.286 85 Y C 1.657 177.537 175.900 -0.032 0.000 1.188 85 Y CA 0.358 58.505 58.100 0.079 0.000 1.286 85 Y CB 0.615 39.194 38.460 0.198 0.000 1.072 85 Y HN 0.053 nan 8.280 nan 0.000 0.517 86 G N -1.047 107.744 108.800 -0.016 0.000 2.163 86 G HA2 -0.252 3.710 3.960 0.004 0.000 0.213 86 G HA3 -0.252 3.710 3.960 0.004 0.000 0.213 86 G C -0.148 174.506 174.900 -0.411 0.000 0.991 86 G CA -0.480 44.469 45.100 -0.252 0.000 0.653 86 G HN 0.198 nan 8.290 nan 0.000 0.518 87 F N 0.533 120.374 119.950 -0.182 0.000 2.497 87 F HA 0.639 5.168 4.527 0.004 0.000 0.331 87 F C -1.827 173.936 175.800 -0.062 0.000 1.060 87 F CA -2.706 55.170 58.000 -0.205 0.000 0.989 87 F CB 1.035 39.644 39.000 -0.652 0.000 1.245 87 F HN -0.227 nan 8.300 nan 0.000 0.486 88 P HA -0.053 nan 4.420 nan 0.000 0.263 88 P C -0.568 176.862 177.300 0.215 0.000 1.175 88 P CA 0.323 63.527 63.100 0.174 0.000 0.761 88 P CB 0.386 32.193 31.700 0.179 0.000 0.794 89 S N 1.772 117.566 115.700 0.157 0.000 2.562 89 S HA 0.222 4.694 4.470 0.004 0.000 0.281 89 S C 0.173 174.869 174.600 0.159 0.000 1.333 89 S CA 0.118 58.413 58.200 0.159 0.000 1.052 89 S CB -0.141 63.127 63.200 0.112 0.000 0.884 89 S HN 0.524 nan 8.310 nan 0.000 0.506 90 C N 2.305 121.707 119.300 0.170 0.000 3.090 90 C HA 0.731 5.193 4.460 0.004 0.000 0.305 90 C C -0.926 174.149 174.990 0.143 0.000 1.292 90 C CA -0.424 58.678 59.018 0.141 0.000 1.482 90 C CB 1.764 29.584 27.740 0.132 0.000 1.897 90 C HN 0.985 nan 8.230 nan 0.000 0.469 91 E N 1.806 122.078 120.200 0.121 0.000 2.351 91 E HA 0.199 4.552 4.350 0.004 0.000 0.253 91 E C -0.770 175.894 176.600 0.106 0.000 1.125 91 E CA 0.145 56.627 56.400 0.137 0.000 0.561 91 E CB -0.328 29.467 29.700 0.158 0.000 1.082 91 E HN 1.010 nan 8.360 nan 0.000 0.418 92 G N 0.501 109.358 108.800 0.095 0.000 2.597 92 G HA2 0.650 4.612 3.960 0.004 0.000 0.317 92 G HA3 0.650 4.612 3.960 0.004 0.000 0.317 92 G C -0.417 174.548 174.900 0.107 0.000 1.230 92 G CA -0.133 45.019 45.100 0.086 0.000 0.996 92 G HN 0.299 nan 8.290 nan 0.000 0.490 93 K N 0.133 120.590 120.400 0.095 0.000 2.315 93 K HA 0.446 4.768 4.320 0.004 0.000 0.291 93 K C -0.087 176.599 176.600 0.144 0.000 1.074 93 K CA -0.746 55.611 56.287 0.117 0.000 0.936 93 K CB -0.142 32.402 32.500 0.073 0.000 1.049 93 K HN 0.588 nan 8.250 nan 0.000 0.471 94 F N 2.720 122.692 119.950 0.036 0.000 2.628 94 F HA 0.098 4.627 4.527 0.003 0.000 0.362 94 F C 0.589 176.425 175.800 0.060 0.000 1.148 94 F CA 0.255 58.278 58.000 0.038 0.000 1.352 94 F CB 0.775 39.809 39.000 0.057 0.000 1.081 94 F HN 0.648 nan 8.300 nan 0.000 0.605 95 N N 7.012 125.267 118.700 -0.742 0.000 2.626 95 N HA -0.007 4.735 4.740 0.004 0.000 0.242 95 N C 0.738 175.687 175.510 -0.935 0.000 1.005 95 N CA -0.505 52.187 53.050 -0.597 0.000 0.905 95 N CB -0.058 38.252 38.487 -0.295 0.000 1.128 95 N HN 0.897 nan 8.380 nan 0.000 0.512 96 W N 4.308 125.030 121.300 -0.963 0.000 2.321 96 W HA -0.161 4.501 4.660 0.004 0.000 0.306 96 W C 1.328 177.670 176.519 -0.296 0.000 1.217 96 W CA 1.250 58.262 57.345 -0.554 0.000 1.257 96 W CB 0.118 29.492 29.460 -0.144 0.000 1.145 96 W HN 0.597 nan 8.180 nan 0.000 0.509 97 R N -0.036 120.482 120.500 0.030 0.000 2.127 97 R HA -0.172 4.171 4.340 0.004 0.000 0.238 97 R C 2.224 178.473 176.300 -0.085 0.000 1.134 97 R CA 1.888 58.000 56.100 0.020 0.000 0.975 97 R CB -0.525 29.782 30.300 0.012 0.000 0.865 97 R HN 0.046 nan 8.270 nan 0.000 0.447 98 V N 0.666 120.485 119.914 -0.159 0.000 2.261 98 V HA -0.257 3.866 4.120 0.004 0.000 0.246 98 V C 2.090 178.104 176.094 -0.133 0.000 1.047 98 V CA 1.793 64.010 62.300 -0.139 0.000 1.015 98 V CB -0.370 31.357 31.823 -0.160 0.000 0.642 98 V HN 0.326 nan 8.190 nan 0.000 0.446 99 I N -0.124 120.336 120.570 -0.183 0.000 2.500 99 I HA -0.115 4.057 4.170 0.004 0.000 0.252 99 I C 2.355 178.374 176.117 -0.163 0.000 1.142 99 I CA 1.552 62.766 61.300 -0.144 0.000 1.451 99 I CB -0.485 37.458 38.000 -0.095 0.000 1.093 99 I HN 0.248 nan 8.210 nan 0.000 0.430 100 K N 0.592 120.854 120.400 -0.229 0.000 2.032 100 K HA -0.266 4.056 4.320 0.004 0.000 0.209 100 K C 2.223 178.797 176.600 -0.043 0.000 1.048 100 K CA 1.892 58.092 56.287 -0.145 0.000 0.927 100 K CB -0.398 32.068 32.500 -0.057 0.000 0.712 100 K HN 0.384 nan 8.250 nan 0.000 0.441 101 E N 1.225 121.403 120.200 -0.036 0.000 2.077 101 E HA -0.219 4.133 4.350 0.004 0.000 0.193 101 E C 1.597 178.194 176.600 -0.005 0.000 0.989 101 E CA 1.509 57.903 56.400 -0.011 0.000 0.800 101 E CB 0.054 29.745 29.700 -0.016 0.000 0.746 101 E HN 0.367 nan 8.360 nan 0.000 0.452 102 K N 0.266 120.653 120.400 -0.021 0.000 2.097 102 K HA -0.108 4.214 4.320 0.004 0.000 0.205 102 K C 2.535 179.154 176.600 0.033 0.000 1.050 102 K CA 1.065 57.347 56.287 -0.008 0.000 0.938 102 K CB -0.166 32.313 32.500 -0.036 0.000 0.718 102 K HN 0.021 nan 8.250 nan 0.000 0.442 103 R N 1.263 121.779 120.500 0.027 0.000 2.073 103 R HA -0.165 4.178 4.340 0.004 0.000 0.234 103 R C 1.427 177.775 176.300 0.080 0.000 1.134 103 R CA 1.933 58.078 56.100 0.075 0.000 0.952 103 R CB -0.073 30.250 30.300 0.038 0.000 0.850 103 R HN 0.123 nan 8.270 nan 0.000 0.433 104 D N 0.174 120.601 120.400 0.046 0.000 2.144 104 D HA -0.126 4.516 4.640 0.004 0.000 0.199 104 D C 1.691 178.018 176.300 0.044 0.000 0.984 104 D CA 1.455 55.477 54.000 0.037 0.000 0.834 104 D CB -0.233 40.588 40.800 0.034 0.000 0.955 104 D HN 0.382 nan 8.370 nan 0.000 0.465 105 A N 0.197 123.052 122.820 0.057 0.000 1.902 105 A HA -0.226 4.096 4.320 0.004 0.000 0.217 105 A C 2.180 179.834 177.584 0.117 0.000 1.181 105 A CA 1.138 53.214 52.037 0.065 0.000 0.623 105 A CB -0.972 18.057 19.000 0.049 0.000 0.818 105 A HN 0.281 nan 8.150 nan 0.000 0.443 106 Y N 0.911 121.203 120.300 -0.013 0.000 2.181 106 Y HA -0.173 4.379 4.550 0.004 0.000 0.288 106 Y C 2.396 178.294 175.900 -0.005 0.000 1.146 106 Y CA 1.465 59.559 58.100 -0.011 0.000 1.164 106 Y CB -0.705 37.747 38.460 -0.013 0.000 0.982 106 Y HN 0.068 nan 8.280 nan 0.000 0.515 107 V N -0.619 119.248 119.914 -0.078 0.000 2.287 107 V HA -0.333 3.789 4.120 0.004 0.000 0.248 107 V C 2.508 178.551 176.094 -0.084 0.000 1.053 107 V CA 2.210 64.414 62.300 -0.159 0.000 1.027 107 V CB -1.075 30.684 31.823 -0.106 0.000 0.646 107 V HN 0.384 nan 8.190 nan 0.000 0.447 108 S N -0.633 115.054 115.700 -0.022 0.000 2.368 108 S HA -0.197 4.276 4.470 0.004 0.000 0.225 108 S C 2.070 176.669 174.600 -0.001 0.000 1.030 108 S CA 1.449 59.648 58.200 -0.003 0.000 0.999 108 S CB -0.328 62.880 63.200 0.013 0.000 0.844 108 S HN 0.539 nan 8.310 nan 0.000 0.459 109 R N 0.713 121.222 120.500 0.016 0.000 2.091 109 R HA -0.020 4.322 4.340 0.004 0.000 0.238 109 R C 2.211 178.499 176.300 -0.019 0.000 1.136 109 R CA 1.137 57.250 56.100 0.023 0.000 0.959 109 R CB -0.576 29.781 30.300 0.095 0.000 0.856 109 R HN 0.378 nan 8.270 nan 0.000 0.437 110 L N 0.482 121.664 121.223 -0.068 0.000 2.093 110 L HA -0.163 4.180 4.340 0.004 0.000 0.208 110 L C 1.766 178.674 176.870 0.064 0.000 1.085 110 L CA 1.422 56.233 54.840 -0.048 0.000 0.755 110 L CB -0.577 41.411 42.059 -0.118 0.000 0.904 110 L HN 0.290 nan 8.230 nan 0.000 0.435 111 N N 0.197 118.918 118.700 0.035 0.000 2.104 111 N HA -0.199 4.543 4.740 0.004 0.000 0.190 111 N C 1.941 177.477 175.510 0.044 0.000 1.024 111 N CA 1.207 54.292 53.050 0.058 0.000 0.853 111 N CB -0.210 38.289 38.487 0.020 0.000 1.008 111 N HN 0.329 nan 8.380 nan 0.000 0.424 112 A N 1.004 123.827 122.820 0.005 0.000 1.898 112 A HA -0.073 4.250 4.320 0.004 0.000 0.216 112 A C 2.143 179.699 177.584 -0.047 0.000 1.181 112 A CA 0.956 52.985 52.037 -0.013 0.000 0.620 112 A CB -0.569 18.422 19.000 -0.015 0.000 0.819 112 A HN 0.187 nan 8.150 nan 0.000 0.442 113 I N -1.978 118.531 120.570 -0.102 0.000 2.179 113 I HA -0.285 3.887 4.170 0.004 0.000 0.242 113 I C 2.345 178.295 176.117 -0.278 0.000 1.088 113 I CA 1.521 62.687 61.300 -0.224 0.000 1.357 113 I CB -0.390 37.408 38.000 -0.337 0.000 1.051 113 I HN 0.419 nan 8.210 nan 0.000 0.409 114 Y N 0.319 120.594 120.300 -0.042 0.000 2.293 114 Y HA -0.258 4.295 4.550 0.004 0.000 0.291 114 Y C 2.751 178.625 175.900 -0.043 0.000 1.137 114 Y CA 1.316 59.390 58.100 -0.044 0.000 1.202 114 Y CB -0.301 38.129 38.460 -0.049 0.000 0.990 114 Y HN 0.220 nan 8.280 nan 0.000 0.537 115 Q N 0.787 120.631 119.800 0.074 0.000 2.061 115 Q HA -0.271 4.072 4.340 0.004 0.000 0.204 115 Q C 2.166 178.163 176.000 -0.005 0.000 0.984 115 Q CA 1.841 57.660 55.803 0.027 0.000 0.846 115 Q CB -0.340 28.406 28.738 0.013 0.000 0.902 115 Q HN 0.530 nan 8.270 nan 0.000 0.421 116 N N -0.235 118.446 118.700 -0.031 0.000 2.166 116 N HA -0.163 4.579 4.740 0.004 0.000 0.186 116 N C 1.264 176.738 175.510 -0.061 0.000 1.019 116 N CA 1.301 54.322 53.050 -0.049 0.000 0.856 116 N CB -0.124 38.326 38.487 -0.062 0.000 0.993 116 N HN 0.392 nan 8.380 nan 0.000 0.426 117 N N 0.447 119.108 118.700 -0.066 0.000 2.149 117 N HA -0.113 4.629 4.740 0.004 0.000 0.188 117 N C 1.866 177.351 175.510 -0.042 0.000 1.019 117 N CA 0.751 53.768 53.050 -0.056 0.000 0.857 117 N CB 0.036 38.502 38.487 -0.034 0.000 0.997 117 N HN 0.235 nan 8.380 nan 0.000 0.426 118 L N 0.370 121.583 121.223 -0.017 0.000 2.027 118 L HA -0.124 4.219 4.340 0.004 0.000 0.206 118 L C 2.342 179.177 176.870 -0.059 0.000 1.074 118 L CA 1.100 55.922 54.840 -0.030 0.000 0.745 118 L CB -0.792 41.259 42.059 -0.014 0.000 0.898 118 L HN 0.200 nan 8.230 nan 0.000 0.433 119 T N -0.468 114.056 114.554 -0.050 0.000 2.684 119 T HA -0.208 4.144 4.350 0.004 0.000 0.267 119 T C 1.939 176.561 174.700 -0.131 0.000 1.036 119 T CA 1.222 63.293 62.100 -0.047 0.000 1.148 119 T CB -0.101 68.754 68.868 -0.021 0.000 0.863 119 T HN 0.197 nan 8.240 nan 0.000 0.436 120 K N 0.877 121.179 120.400 -0.164 0.000 2.211 120 K HA 0.046 4.368 4.320 0.004 0.000 0.203 120 K C 2.157 178.450 176.600 -0.512 0.000 1.050 120 K CA 0.802 56.935 56.287 -0.256 0.000 0.945 120 K CB -0.041 32.373 32.500 -0.144 0.000 0.732 120 K HN 0.190 nan 8.250 nan 0.000 0.451 121 S N -0.377 115.098 115.700 -0.375 0.000 2.593 121 S HA 0.018 4.490 4.470 0.004 0.000 0.217 121 S C -0.477 173.920 174.600 -0.340 0.000 0.966 121 S CA -0.026 57.973 58.200 -0.335 0.000 0.914 121 S CB -0.164 62.955 63.200 -0.135 0.000 0.776 121 S HN 0.415 nan 8.310 nan 0.000 0.523 122 H N -0.292 118.780 119.070 0.003 0.000 2.839 122 H HA -0.131 4.427 4.556 0.004 0.000 0.298 122 H C -0.504 174.834 175.328 0.017 0.000 1.224 122 H CA 0.337 56.392 56.048 0.011 0.000 1.144 122 H CB -2.192 27.577 29.762 0.012 0.000 1.372 122 H HN 0.382 nan 8.280 nan 0.000 0.408 123 I N 1.241 121.836 120.570 0.041 0.000 2.315 123 I HA 0.085 4.257 4.170 0.004 0.000 0.291 123 I C 0.937 177.063 176.117 0.015 0.000 1.006 123 I CA -0.204 61.110 61.300 0.022 0.000 1.265 123 I CB 1.196 39.184 38.000 -0.019 0.000 1.387 123 I HN 0.295 nan 8.210 nan 0.000 0.475 124 E N 6.791 127.004 120.200 0.022 0.000 2.384 124 E HA 0.246 4.598 4.350 0.004 0.000 0.266 124 E C -0.902 175.651 176.600 -0.079 0.000 1.012 124 E CA -0.293 56.108 56.400 0.001 0.000 0.901 124 E CB 0.796 30.527 29.700 0.052 0.000 0.967 124 E HN 0.452 nan 8.360 nan 0.000 0.435 125 I N 5.984 126.517 120.570 -0.061 0.000 2.339 125 I HA 0.254 4.427 4.170 0.004 0.000 0.290 125 I C -0.289 175.763 176.117 -0.108 0.000 0.994 125 I CA -0.571 60.674 61.300 -0.090 0.000 1.191 125 I CB 1.098 39.066 38.000 -0.053 0.000 1.343 125 I HN 0.431 nan 8.210 nan 0.000 0.458 126 I N 6.643 127.105 120.570 -0.180 0.000 2.328 126 I HA 0.329 4.502 4.170 0.004 0.000 0.287 126 I C 0.066 176.094 176.117 -0.149 0.000 1.012 126 I CA -0.652 60.526 61.300 -0.203 0.000 1.195 126 I CB 0.581 38.322 38.000 -0.430 0.000 1.350 126 I HN 0.406 nan 8.210 nan 0.000 0.464 127 R N 5.409 125.857 120.500 -0.087 0.000 2.202 127 R HA 0.717 5.060 4.340 0.004 0.000 0.334 127 R C 0.185 176.449 176.300 -0.059 0.000 1.036 127 R CA -0.331 55.727 56.100 -0.069 0.000 0.878 127 R CB 1.233 31.506 30.300 -0.046 0.000 1.067 127 R HN 0.952 nan 8.270 nan 0.000 0.457 128 G N 1.244 110.006 108.800 -0.064 0.000 2.369 128 G HA2 -0.098 3.864 3.960 0.004 0.000 0.293 128 G HA3 -0.098 3.864 3.960 0.004 0.000 0.293 128 G C -1.818 173.074 174.900 -0.012 0.000 1.301 128 G CA -0.891 44.191 45.100 -0.030 0.000 0.913 128 G HN 0.623 nan 8.290 nan 0.000 0.540 129 H N 0.710 119.747 119.070 -0.056 0.000 2.652 129 H HA 0.667 5.228 4.556 0.008 0.000 0.298 129 H C 0.342 175.638 175.328 -0.053 0.000 1.076 129 H CA 0.373 56.397 56.048 -0.040 0.000 1.360 129 H CB 1.046 30.800 29.762 -0.014 0.000 1.421 129 H HN 0.904 nan 8.280 nan 0.000 0.464 130 A N 3.961 126.460 122.820 -0.535 0.000 2.327 130 A HA 0.646 4.968 4.320 0.004 0.000 0.283 130 A C -0.513 176.770 177.584 -0.502 0.000 1.127 130 A CA 0.047 51.828 52.037 -0.427 0.000 0.810 130 A CB 0.382 19.136 19.000 -0.411 0.000 1.066 130 A HN 0.835 nan 8.150 nan 0.000 0.492 131 A N 1.399 124.064 122.820 -0.258 0.000 2.475 131 A HA 0.740 5.062 4.320 0.004 0.000 0.301 131 A C -0.714 176.759 177.584 -0.185 0.000 1.059 131 A CA -0.618 51.325 52.037 -0.157 0.000 0.710 131 A CB 0.595 19.636 19.000 0.069 0.000 1.288 131 A HN 0.668 nan 8.150 nan 0.000 0.408 132 F N 1.148 121.109 119.950 0.018 0.000 2.450 132 F HA 0.412 4.941 4.527 0.004 0.000 0.339 132 F C 1.725 177.545 175.800 0.033 0.000 1.146 132 F CA 1.135 59.150 58.000 0.024 0.000 1.267 132 F CB 1.232 40.242 39.000 0.017 0.000 1.178 132 F HN 0.690 nan 8.300 nan 0.000 0.585 133 T N -2.292 112.400 114.554 0.230 0.000 2.910 133 T HA 0.268 4.621 4.350 0.004 0.000 0.279 133 T C 0.621 175.398 174.700 0.127 0.000 0.989 133 T CA -0.813 61.373 62.100 0.142 0.000 0.968 133 T CB 1.380 70.308 68.868 0.099 0.000 1.135 133 T HN 0.417 nan 8.240 nan 0.000 0.562 134 S N 0.384 116.133 115.700 0.081 0.000 2.631 134 S HA 0.106 4.578 4.470 0.004 0.000 0.217 134 S C 0.003 174.630 174.600 0.045 0.000 0.958 134 S CA -0.325 57.908 58.200 0.056 0.000 0.920 134 S CB -0.464 62.761 63.200 0.040 0.000 0.776 134 S HN 0.650 nan 8.310 nan 0.000 0.517 135 D N 2.936 123.370 120.400 0.056 0.000 2.487 135 D HA 0.040 4.682 4.640 0.004 0.000 0.243 135 D C -1.673 174.650 176.300 0.039 0.000 1.154 135 D CA -1.069 52.959 54.000 0.046 0.000 0.876 135 D CB 0.692 41.525 40.800 0.054 0.000 1.161 135 D HN 0.083 nan 8.370 nan 0.000 0.478 136 P HA -0.136 nan 4.420 nan 0.000 0.216 136 P C 0.440 177.749 177.300 0.014 0.000 1.150 136 P CA 1.089 64.196 63.100 0.012 0.000 0.837 136 P CB 0.320 32.024 31.700 0.008 0.000 0.786 137 K N 0.741 121.156 120.400 0.026 0.000 2.378 137 K HA 0.149 4.471 4.320 0.004 0.000 0.288 137 K C -2.343 174.294 176.600 0.062 0.000 1.057 137 K CA -2.064 54.243 56.287 0.034 0.000 0.971 137 K CB -0.002 32.520 32.500 0.038 0.000 0.975 137 K HN -0.084 nan 8.250 nan 0.000 0.475 138 P HA -0.009 nan 4.420 nan 0.000 0.261 138 P C -1.303 176.109 177.300 0.186 0.000 1.183 138 P CA 0.261 63.439 63.100 0.130 0.000 0.761 138 P CB 0.875 32.637 31.700 0.105 0.000 0.785 139 T N 3.660 118.354 114.554 0.235 0.000 2.956 139 T HA 0.632 4.985 4.350 0.004 0.000 0.312 139 T C -0.124 174.678 174.700 0.170 0.000 1.151 139 T CA -0.531 61.677 62.100 0.180 0.000 1.024 139 T CB 0.836 69.778 68.868 0.124 0.000 1.140 139 T HN 0.286 nan 8.240 nan 0.000 0.473 140 I N -0.782 119.837 120.570 0.082 0.000 2.797 140 I HA 0.859 5.031 4.170 0.004 0.000 0.307 140 I C -0.564 175.596 176.117 0.071 0.000 1.033 140 I CA -0.949 60.325 61.300 -0.044 0.000 1.071 140 I CB 2.295 40.153 38.000 -0.237 0.000 1.255 140 I HN 0.574 nan 8.210 nan 0.000 0.445 141 E N 3.272 123.493 120.200 0.034 0.000 2.222 141 E HA 0.661 5.013 4.350 0.004 0.000 0.267 141 E C -1.872 174.776 176.600 0.080 0.000 0.884 141 E CA -0.813 55.638 56.400 0.085 0.000 0.764 141 E CB 2.478 32.211 29.700 0.056 0.000 1.169 141 E HN 0.603 nan 8.360 nan 0.000 0.413 142 V N 3.215 123.224 119.914 0.158 0.000 2.482 142 V HA 0.181 4.304 4.120 0.004 0.000 0.295 142 V C -0.060 176.110 176.094 0.127 0.000 1.026 142 V CA -0.769 61.599 62.300 0.114 0.000 0.856 142 V CB 1.453 33.314 31.823 0.063 0.000 1.001 142 V HN 0.914 nan 8.190 nan 0.000 0.424 143 S N 3.412 119.162 115.700 0.084 0.000 3.614 143 S HA -0.202 4.270 4.470 0.004 0.000 0.360 143 S C 1.457 176.091 174.600 0.057 0.000 1.023 143 S CA 1.505 59.743 58.200 0.064 0.000 1.114 143 S CB -1.295 61.939 63.200 0.057 0.000 0.907 143 S HN 2.378 nan 8.310 nan 0.000 0.470 144 G N -0.017 108.814 108.800 0.052 0.000 2.184 144 G HA2 -0.343 3.619 3.960 0.004 0.000 0.264 144 G HA3 -0.343 3.619 3.960 0.004 0.000 0.264 144 G C -0.178 174.728 174.900 0.009 0.000 0.975 144 G CA 0.906 46.023 45.100 0.030 0.000 0.642 144 G HN 0.891 nan 8.290 nan 0.000 0.536 145 K N 0.520 120.930 120.400 0.016 0.000 2.207 145 K HA 0.645 4.967 4.320 0.004 0.000 0.255 145 K C 0.009 176.506 176.600 -0.171 0.000 0.941 145 K CA -0.865 55.364 56.287 -0.095 0.000 0.825 145 K CB 0.811 33.244 32.500 -0.111 0.000 1.119 145 K HN 0.114 nan 8.250 nan 0.000 0.430 146 K N 2.770 122.985 120.400 -0.309 0.000 2.164 146 K HA 0.339 4.661 4.320 0.004 0.000 0.258 146 K C -1.341 175.000 176.600 -0.433 0.000 0.951 146 K CA -0.734 55.426 56.287 -0.211 0.000 0.844 146 K CB 1.272 33.723 32.500 -0.082 0.000 1.099 146 K HN 0.427 nan 8.250 nan 0.000 0.435 147 Y N -0.428 119.906 120.300 0.056 0.000 2.492 147 Y HA 0.378 4.929 4.550 0.003 0.000 0.346 147 Y C 0.178 176.144 175.900 0.111 0.000 0.997 147 Y CA -0.818 57.349 58.100 0.111 0.000 1.025 147 Y CB 2.667 41.167 38.460 0.067 0.000 1.263 147 Y HN 0.494 nan 8.280 nan 0.000 0.454 148 T N 1.170 115.909 114.554 0.308 0.000 2.883 148 T HA 0.929 5.282 4.350 0.004 0.000 0.296 148 T C -1.593 173.270 174.700 0.272 0.000 1.117 148 T CA -0.397 61.841 62.100 0.230 0.000 1.006 148 T CB 1.358 70.316 68.868 0.151 0.000 1.191 148 T HN 0.984 nan 8.240 nan 0.000 0.508 149 A N 2.777 125.734 122.820 0.228 0.000 2.608 149 A HA 0.760 5.082 4.320 0.004 0.000 0.292 149 A C -2.503 175.180 177.584 0.165 0.000 1.066 149 A CA -1.090 51.094 52.037 0.246 0.000 0.676 149 A CB 1.101 20.303 19.000 0.338 0.000 1.277 149 A HN 0.557 nan 8.150 nan 0.000 0.413 150 P HA 0.037 nan 4.420 nan 0.000 0.233 150 P C -0.261 176.878 177.300 -0.269 0.000 1.167 150 P CA 1.149 64.173 63.100 -0.126 0.000 0.770 150 P CB 0.006 31.564 31.700 -0.237 0.000 0.837 151 H N -0.028 119.269 119.070 0.378 0.000 2.924 151 H HA 0.443 5.002 4.556 0.004 0.000 0.333 151 H C -0.248 175.429 175.328 0.582 0.000 0.979 151 H CA -0.617 55.773 56.048 0.570 0.000 1.326 151 H CB 1.632 31.728 29.762 0.557 0.000 1.600 151 H HN -0.006 nan 8.280 nan 0.000 0.520 152 I N 4.147 125.064 120.570 0.579 0.000 2.447 152 I HA 0.115 4.287 4.170 0.004 0.000 0.287 152 I C -0.622 175.744 176.117 0.415 0.000 1.023 152 I CA -0.872 60.654 61.300 0.376 0.000 1.083 152 I CB 2.370 40.552 38.000 0.304 0.000 1.245 152 I HN 0.179 nan 8.210 nan 0.000 0.434 153 L N 8.263 129.629 121.223 0.238 0.000 2.282 153 L HA 0.562 4.904 4.340 0.004 0.000 0.288 153 L C -0.619 176.320 176.870 0.114 0.000 1.033 153 L CA -0.034 54.943 54.840 0.228 0.000 0.807 153 L CB 1.020 43.124 42.059 0.076 0.000 1.209 153 L HN 0.396 nan 8.230 nan 0.000 0.423 154 I N 5.977 126.646 120.570 0.166 0.000 2.301 154 I HA 0.465 4.637 4.170 0.004 0.000 0.292 154 I C 0.385 176.555 176.117 0.089 0.000 1.046 154 I CA -0.042 61.332 61.300 0.122 0.000 1.282 154 I CB 1.196 39.303 38.000 0.178 0.000 1.409 154 I HN 0.822 nan 8.210 nan 0.000 0.484 155 A N 3.709 126.551 122.820 0.037 0.000 3.176 155 A HA 0.282 4.604 4.320 0.004 0.000 0.265 155 A C 0.830 178.420 177.584 0.009 0.000 0.936 155 A CA -0.368 51.686 52.037 0.029 0.000 1.033 155 A CB -0.314 18.692 19.000 0.010 0.000 1.158 155 A HN 0.723 nan 8.150 nan 0.000 0.485 156 T N -3.016 111.552 114.554 0.023 0.000 3.107 156 T HA 0.453 4.806 4.350 0.004 0.000 0.249 156 T C 1.300 176.014 174.700 0.023 0.000 1.096 156 T CA 0.922 63.030 62.100 0.012 0.000 1.012 156 T CB -0.167 68.710 68.868 0.016 0.000 0.977 156 T HN 2.010 nan 8.240 nan 0.000 0.527 157 G N 0.394 109.216 108.800 0.036 0.000 2.569 157 G HA2 0.242 4.204 3.960 0.004 0.000 0.259 157 G HA3 0.242 4.204 3.960 0.004 0.000 0.259 157 G C 0.068 174.997 174.900 0.049 0.000 1.263 157 G CA -0.319 44.806 45.100 0.041 0.000 0.928 157 G HN 1.272 nan 8.290 nan 0.000 0.572 158 G N -1.995 106.831 108.800 0.043 0.000 2.975 158 G HA2 0.981 4.943 3.960 0.004 0.000 0.291 158 G HA3 0.981 4.943 3.960 0.004 0.000 0.291 158 G C -0.416 174.498 174.900 0.024 0.000 1.334 158 G CA 0.224 45.348 45.100 0.040 0.000 0.843 158 G HN 1.950 nan 8.290 nan 0.000 0.548 159 M N -2.033 117.580 119.600 0.021 0.000 2.682 159 M HA 0.592 5.074 4.480 0.004 0.000 0.272 159 M C -3.236 173.075 176.300 0.018 0.000 1.232 159 M CA -1.843 53.465 55.300 0.014 0.000 0.849 159 M CB 2.084 34.681 32.600 -0.005 0.000 1.695 159 M HN 0.191 nan 8.290 nan 0.000 0.481 160 P HA 0.165 nan 4.420 nan 0.000 0.271 160 P C -0.733 176.563 177.300 -0.007 0.000 1.218 160 P CA -0.035 63.079 63.100 0.023 0.000 0.780 160 P CB 1.008 32.736 31.700 0.046 0.000 0.901 161 S N 1.416 117.105 115.700 -0.018 0.000 2.565 161 S HA 0.414 4.886 4.470 0.004 0.000 0.274 161 S C -0.308 174.215 174.600 -0.129 0.000 1.309 161 S CA 0.054 58.209 58.200 -0.074 0.000 1.043 161 S CB -0.350 62.813 63.200 -0.060 0.000 0.939 161 S HN 0.366 nan 8.310 nan 0.000 0.504 162 T N 5.814 120.222 114.554 -0.243 0.000 2.876 162 T HA 0.537 4.889 4.350 0.004 0.000 0.289 162 T C -2.686 171.679 174.700 -0.558 0.000 1.014 162 T CA -0.969 60.874 62.100 -0.428 0.000 0.986 162 T CB 1.605 70.283 68.868 -0.317 0.000 1.021 162 T HN 0.411 nan 8.240 nan 0.000 0.458 163 P HA 0.224 nan 4.420 nan 0.000 0.269 163 P C -0.537 176.504 177.300 -0.431 0.000 1.209 163 P CA -0.198 62.557 63.100 -0.575 0.000 0.776 163 P CB 0.241 31.497 31.700 -0.739 0.000 0.876 164 H N -0.059 118.893 119.070 -0.197 0.000 2.629 164 H HA 0.041 4.598 4.556 0.002 0.000 0.357 164 H C 1.300 176.567 175.328 -0.102 0.000 1.121 164 H CA 0.103 56.076 56.048 -0.124 0.000 1.406 164 H CB 0.730 30.441 29.762 -0.086 0.000 1.456 164 H HN 0.482 nan 8.280 nan 0.000 0.579 165 E N 1.219 121.456 120.200 0.063 0.000 2.160 165 E HA -0.208 4.145 4.350 0.004 0.000 0.195 165 E C 1.758 178.378 176.600 0.034 0.000 0.991 165 E CA 1.730 58.151 56.400 0.034 0.000 0.810 165 E CB -0.022 29.698 29.700 0.034 0.000 0.742 165 E HN 0.657 nan 8.360 nan 0.000 0.466 166 S N -0.495 115.230 115.700 0.041 0.000 2.419 166 S HA -0.234 4.238 4.470 0.004 0.000 0.233 166 S C 2.069 176.674 174.600 0.008 0.000 1.016 166 S CA 1.230 59.436 58.200 0.010 0.000 0.974 166 S CB -0.231 62.956 63.200 -0.022 0.000 0.786 166 S HN 0.456 nan 8.310 nan 0.000 0.492 167 Q N 0.521 120.333 119.800 0.019 0.000 2.200 167 Q HA 0.288 4.630 4.340 0.004 0.000 0.197 167 Q C 0.015 176.021 176.000 0.009 0.000 0.953 167 Q CA 0.626 56.434 55.803 0.008 0.000 0.851 167 Q CB 0.300 29.043 28.738 0.008 0.000 0.938 167 Q HN 0.608 nan 8.270 nan 0.000 0.488 168 I N 3.143 123.714 120.570 0.002 0.000 2.563 168 I HA 0.336 4.508 4.170 0.004 0.000 0.276 168 I C -2.450 173.692 176.117 0.041 0.000 1.074 168 I CA -2.340 58.975 61.300 0.025 0.000 1.124 168 I CB 1.753 39.761 38.000 0.013 0.000 1.225 168 I HN 0.020 nan 8.210 nan 0.000 0.482 169 P HA 0.082 nan 4.420 nan 0.000 0.268 169 P C 0.980 178.323 177.300 0.072 0.000 1.204 169 P CA 0.821 63.950 63.100 0.048 0.000 0.768 169 P CB 0.883 32.606 31.700 0.038 0.000 0.842 170 G N 2.623 111.466 108.800 0.072 0.000 2.176 170 G HA2 -0.319 3.643 3.960 0.004 0.000 0.253 170 G HA3 -0.319 3.643 3.960 0.004 0.000 0.253 170 G C 1.130 176.123 174.900 0.155 0.000 0.979 170 G CA 0.412 45.568 45.100 0.093 0.000 0.641 170 G HN 0.682 nan 8.290 nan 0.000 0.530 171 A N 0.865 123.783 122.820 0.164 0.000 2.024 171 A HA 0.153 4.476 4.320 0.004 0.000 0.220 171 A C 2.645 180.403 177.584 0.291 0.000 1.164 171 A CA 2.661 54.868 52.037 0.282 0.000 0.643 171 A CB -0.729 18.223 19.000 -0.081 0.000 0.806 171 A HN 1.813 nan 8.150 nan 0.000 0.451 172 S N -0.274 115.504 115.700 0.131 0.000 2.507 172 S HA -0.005 4.467 4.470 0.004 0.000 0.235 172 S C 1.553 176.231 174.600 0.131 0.000 0.988 172 S CA 1.133 59.399 58.200 0.110 0.000 0.944 172 S CB -0.638 62.593 63.200 0.052 0.000 0.762 172 S HN 0.482 nan 8.310 nan 0.000 0.526 173 L N 1.136 122.443 121.223 0.140 0.000 2.376 173 L HA 0.212 4.554 4.340 0.004 0.000 0.219 173 L C 1.780 178.701 176.870 0.084 0.000 1.133 173 L CA 0.255 55.150 54.840 0.092 0.000 0.816 173 L CB -0.914 41.184 42.059 0.065 0.000 0.933 173 L HN 0.452 nan 8.230 nan 0.000 0.449 174 G N 0.365 109.267 108.800 0.171 0.000 2.599 174 G HA2 0.505 4.467 3.960 0.004 0.000 0.264 174 G HA3 0.505 4.467 3.960 0.004 0.000 0.264 174 G C -0.325 174.659 174.900 0.140 0.000 1.200 174 G CA -0.456 44.682 45.100 0.063 0.000 0.896 174 G HN 0.158 nan 8.290 nan 0.000 0.536 175 I N -2.437 118.172 120.570 0.065 0.000 3.133 175 I HA 0.886 5.059 4.170 0.004 0.000 0.311 175 I C 0.326 176.534 176.117 0.151 0.000 1.072 175 I CA -0.968 60.394 61.300 0.104 0.000 1.015 175 I CB 2.350 40.383 38.000 0.056 0.000 1.233 175 I HN 0.652 nan 8.210 nan 0.000 0.473 176 T N -1.798 112.840 114.554 0.139 0.000 2.762 176 T HA 0.315 4.668 4.350 0.004 0.000 0.272 176 T C 1.041 175.798 174.700 0.096 0.000 0.982 176 T CA 0.019 62.196 62.100 0.129 0.000 1.013 176 T CB 1.017 69.960 68.868 0.126 0.000 1.309 176 T HN 0.839 nan 8.240 nan 0.000 0.572 177 S N 0.153 115.892 115.700 0.065 0.000 2.400 177 S HA -0.182 4.290 4.470 0.004 0.000 0.232 177 S C 1.299 176.021 174.600 0.203 0.000 1.025 177 S CA 1.594 59.826 58.200 0.054 0.000 0.993 177 S CB -0.993 62.235 63.200 0.046 0.000 0.808 177 S HN 0.707 nan 8.310 nan 0.000 0.478 178 D N 2.265 122.790 120.400 0.209 0.000 2.097 178 D HA -0.000 4.642 4.640 0.004 0.000 0.195 178 D C 2.226 178.665 176.300 0.231 0.000 0.989 178 D CA 1.522 55.672 54.000 0.250 0.000 0.827 178 D CB -1.117 39.773 40.800 0.151 0.000 0.966 178 D HN 0.563 nan 8.370 nan 0.000 0.456 179 G N -0.190 108.706 108.800 0.159 0.000 2.443 179 G HA2 -0.256 3.707 3.960 0.004 0.000 0.219 179 G HA3 -0.256 3.707 3.960 0.004 0.000 0.219 179 G C 1.496 176.468 174.900 0.120 0.000 1.131 179 G CA 0.209 45.383 45.100 0.124 0.000 0.775 179 G HN 0.268 nan 8.290 nan 0.000 0.547 180 F N 0.913 120.822 119.950 -0.068 0.000 2.120 180 F HA -0.064 4.465 4.527 0.003 0.000 0.300 180 F C 1.870 177.589 175.800 -0.135 0.000 1.095 180 F CA 1.298 59.194 58.000 -0.174 0.000 1.249 180 F CB -0.072 38.691 39.000 -0.396 0.000 0.995 180 F HN 0.117 nan 8.300 nan 0.000 0.480 181 F N -0.024 120.055 119.950 0.216 0.000 2.802 181 F HA 0.009 4.538 4.527 0.003 0.000 0.300 181 F C 1.965 177.806 175.800 0.068 0.000 1.168 181 F CA 0.383 58.449 58.000 0.109 0.000 1.433 181 F CB -0.500 38.598 39.000 0.164 0.000 1.115 181 F HN 0.074 nan 8.300 nan 0.000 0.582 182 Q N -0.080 119.827 119.800 0.178 0.000 2.352 182 Q HA 0.213 4.555 4.340 0.004 0.000 0.212 182 Q C 0.712 176.763 176.000 0.085 0.000 0.888 182 Q CA 0.105 55.984 55.803 0.126 0.000 0.934 182 Q CB 0.288 29.085 28.738 0.098 0.000 1.093 182 Q HN 0.353 nan 8.270 nan 0.000 0.523 183 L N 1.889 123.137 121.223 0.041 0.000 2.578 183 L HA -0.078 4.264 4.340 0.004 0.000 0.279 183 L C 1.258 178.199 176.870 0.119 0.000 1.227 183 L CA 0.600 55.419 54.840 -0.034 0.000 0.900 183 L CB 0.289 42.209 42.059 -0.232 0.000 1.144 183 L HN 0.106 nan 8.230 nan 0.000 0.496 184 E N 1.588 121.778 120.200 -0.017 0.000 2.489 184 E HA 0.113 4.465 4.350 0.004 0.000 0.204 184 E C -0.268 176.307 176.600 -0.041 0.000 1.006 184 E CA 0.084 56.533 56.400 0.081 0.000 0.936 184 E CB 0.758 30.481 29.700 0.038 0.000 1.002 184 E HN 0.533 nan 8.360 nan 0.000 0.488 185 E N 0.545 120.459 120.200 -0.477 0.000 2.408 185 E HA 0.209 4.562 4.350 0.004 0.000 0.275 185 E C -1.123 174.787 176.600 -1.149 0.000 0.935 185 E CA -1.006 55.045 56.400 -0.582 0.000 0.775 185 E CB 2.099 31.631 29.700 -0.280 0.000 1.277 185 E HN -0.067 nan 8.360 nan 0.000 0.455 186 L N 3.280 124.036 121.223 -0.779 0.000 2.477 186 L HA 0.235 4.577 4.340 0.004 0.000 0.272 186 L C -2.299 174.326 176.870 -0.408 0.000 1.157 186 L CA -0.835 53.621 54.840 -0.639 0.000 0.889 186 L CB -0.052 41.997 42.059 -0.018 0.000 1.158 186 L HN 0.191 nan 8.230 nan 0.000 0.473 187 P HA 0.188 nan 4.420 nan 0.000 0.268 187 P C 0.593 177.818 177.300 -0.125 0.000 1.205 187 P CA -0.073 62.894 63.100 -0.221 0.000 0.771 187 P CB 0.906 32.492 31.700 -0.190 0.000 0.858 188 G N 2.218 110.962 108.800 -0.093 0.000 2.408 188 G HA2 -0.133 3.829 3.960 0.004 0.000 0.217 188 G HA3 -0.133 3.829 3.960 0.004 0.000 0.217 188 G C 0.535 175.408 174.900 -0.044 0.000 1.150 188 G CA 0.538 45.605 45.100 -0.055 0.000 0.776 188 G HN 0.468 nan 8.290 nan 0.000 0.542 189 R N 0.038 120.505 120.500 -0.055 0.000 2.502 189 R HA 0.567 4.909 4.340 0.004 0.000 0.300 189 R C -1.456 174.807 176.300 -0.061 0.000 0.984 189 R CA -0.231 55.840 56.100 -0.050 0.000 0.882 189 R CB 1.536 31.808 30.300 -0.046 0.000 1.180 189 R HN 0.018 nan 8.270 nan 0.000 0.444 190 S N 2.423 118.090 115.700 -0.054 0.000 2.513 190 S HA 0.626 5.098 4.470 0.004 0.000 0.299 190 S C -1.273 173.283 174.600 -0.074 0.000 1.087 190 S CA -0.727 57.435 58.200 -0.064 0.000 1.012 190 S CB 2.035 65.213 63.200 -0.037 0.000 1.044 190 S HN 0.331 nan 8.310 nan 0.000 0.485 191 V N 3.808 123.657 119.914 -0.109 0.000 2.443 191 V HA 0.465 4.588 4.120 0.004 0.000 0.293 191 V C -1.045 174.948 176.094 -0.169 0.000 1.021 191 V CA -0.577 61.646 62.300 -0.129 0.000 0.848 191 V CB 1.161 32.895 31.823 -0.148 0.000 0.998 191 V HN 0.732 nan 8.190 nan 0.000 0.424 192 I N 5.440 125.930 120.570 -0.133 0.000 2.336 192 I HA 0.434 4.606 4.170 0.004 0.000 0.292 192 I C -0.039 176.005 176.117 -0.121 0.000 0.991 192 I CA -0.294 60.926 61.300 -0.134 0.000 1.227 192 I CB 1.842 39.784 38.000 -0.097 0.000 1.366 192 I HN 0.280 nan 8.210 nan 0.000 0.466 193 V N 5.779 125.618 119.914 -0.126 0.000 2.347 193 V HA 0.953 5.076 4.120 0.004 0.000 0.280 193 V C 0.456 176.576 176.094 0.043 0.000 1.021 193 V CA -0.244 62.035 62.300 -0.035 0.000 0.847 193 V CB 0.543 32.352 31.823 -0.022 0.000 0.990 193 V HN 1.048 nan 8.190 nan 0.000 0.444 194 G N 3.647 112.466 108.800 0.031 0.000 2.347 194 G HA2 0.517 4.480 3.960 0.004 0.000 0.321 194 G HA3 0.517 4.480 3.960 0.004 0.000 0.321 194 G C -0.343 174.559 174.900 0.004 0.000 1.412 194 G CA 0.096 45.216 45.100 0.033 0.000 0.990 194 G HN 1.194 nan 8.290 nan 0.000 0.637 195 A N -0.697 122.130 122.820 0.011 0.000 2.628 195 A HA 0.776 5.099 4.320 0.004 0.000 0.267 195 A C 1.127 178.712 177.584 0.003 0.000 1.159 195 A CA 1.386 53.422 52.037 -0.002 0.000 0.972 195 A CB 0.095 19.099 19.000 0.007 0.000 1.211 195 A HN 2.106 nan 8.150 nan 0.000 0.576 196 G N -1.364 107.446 108.800 0.016 0.000 2.532 196 G HA2 0.361 4.323 3.960 0.004 0.000 0.291 196 G HA3 0.361 4.323 3.960 0.004 0.000 0.291 196 G C 0.683 175.599 174.900 0.026 0.000 1.349 196 G CA 0.107 45.243 45.100 0.059 0.000 1.038 196 G HN 0.605 nan 8.290 nan 0.000 0.518 197 Y N -1.102 119.207 120.300 0.015 0.000 2.224 197 Y HA -0.031 4.522 4.550 0.005 0.000 0.289 197 Y C 2.290 178.185 175.900 -0.007 0.000 1.146 197 Y CA 1.345 59.432 58.100 -0.022 0.000 1.182 197 Y CB -0.379 38.100 38.460 0.031 0.000 0.983 197 Y HN 0.212 nan 8.280 nan 0.000 0.524 198 I N 1.183 121.295 120.570 -0.764 0.000 2.226 198 I HA -0.267 3.906 4.170 0.004 0.000 0.245 198 I C 2.868 178.828 176.117 -0.262 0.000 1.100 198 I CA 1.242 62.202 61.300 -0.566 0.000 1.374 198 I CB -0.717 36.949 38.000 -0.558 0.000 1.057 198 I HN 0.442 nan 8.210 nan 0.000 0.413 199 A N 0.495 123.205 122.820 -0.183 0.000 1.883 199 A HA -0.165 4.157 4.320 0.004 0.000 0.217 199 A C 2.444 179.975 177.584 -0.088 0.000 1.186 199 A CA 1.855 53.823 52.037 -0.116 0.000 0.624 199 A CB -1.009 17.950 19.000 -0.069 0.000 0.822 199 A HN 0.238 nan 8.150 nan 0.000 0.444 200 V N 0.074 119.949 119.914 -0.064 0.000 2.295 200 V HA -0.288 3.834 4.120 0.004 0.000 0.246 200 V C 2.450 178.550 176.094 0.011 0.000 1.049 200 V CA 2.393 64.677 62.300 -0.026 0.000 1.024 200 V CB -0.858 30.944 31.823 -0.035 0.000 0.648 200 V HN 0.649 nan 8.190 nan 0.000 0.447 201 E N -0.499 119.704 120.200 0.006 0.000 2.072 201 E HA -0.208 4.145 4.350 0.004 0.000 0.191 201 E C 2.252 178.861 176.600 0.016 0.000 0.985 201 E CA 1.458 57.896 56.400 0.064 0.000 0.801 201 E CB -0.209 29.541 29.700 0.083 0.000 0.750 201 E HN 0.534 nan 8.360 nan 0.000 0.452 202 M N 0.404 119.924 119.600 -0.134 0.000 2.132 202 M HA -0.127 4.356 4.480 0.004 0.000 0.263 202 M C 2.518 178.764 176.300 -0.091 0.000 1.065 202 M CA 1.366 56.499 55.300 -0.277 0.000 1.122 202 M CB -0.218 32.066 32.600 -0.526 0.000 1.365 202 M HN 0.119 nan 8.290 nan 0.000 0.411 203 A N 0.563 123.355 122.820 -0.047 0.000 1.902 203 A HA -0.070 4.253 4.320 0.004 0.000 0.217 203 A C 2.347 179.962 177.584 0.053 0.000 1.181 203 A CA 1.966 54.003 52.037 -0.001 0.000 0.623 203 A CB -1.535 17.457 19.000 -0.013 0.000 0.818 203 A HN 0.552 nan 8.150 nan 0.000 0.443 204 G N -0.184 108.683 108.800 0.112 0.000 2.408 204 G HA2 -0.143 3.819 3.960 0.004 0.000 0.217 204 G HA3 -0.143 3.819 3.960 0.004 0.000 0.217 204 G C 1.525 176.519 174.900 0.158 0.000 1.150 204 G CA 1.075 46.294 45.100 0.199 0.000 0.776 204 G HN 0.475 nan 8.290 nan 0.000 0.542 205 I N 0.188 120.889 120.570 0.219 0.000 2.202 205 I HA -0.102 4.071 4.170 0.004 0.000 0.242 205 I C 2.706 178.915 176.117 0.153 0.000 1.091 205 I CA 0.677 62.097 61.300 0.200 0.000 1.368 205 I CB -0.187 37.983 38.000 0.282 0.000 1.058 205 I HN 0.107 nan 8.210 nan 0.000 0.410 206 L N -0.364 120.975 121.223 0.193 0.000 2.083 206 L HA -0.226 4.116 4.340 0.004 0.000 0.209 206 L C 2.720 179.645 176.870 0.092 0.000 1.083 206 L CA 1.346 56.306 54.840 0.200 0.000 0.752 206 L CB -0.491 41.675 42.059 0.178 0.000 0.899 206 L HN 0.230 nan 8.230 nan 0.000 0.433 207 S N -0.530 115.195 115.700 0.042 0.000 2.368 207 S HA -0.143 4.329 4.470 0.004 0.000 0.224 207 S C 2.150 176.732 174.600 -0.030 0.000 1.029 207 S CA 1.128 59.330 58.200 0.003 0.000 0.988 207 S CB -0.097 63.100 63.200 -0.006 0.000 0.838 207 S HN 0.436 nan 8.310 nan 0.000 0.462 208 A N 1.195 123.958 122.820 -0.094 0.000 1.940 208 A HA 0.039 4.362 4.320 0.004 0.000 0.219 208 A C 1.978 179.475 177.584 -0.145 0.000 1.176 208 A CA 1.309 53.242 52.037 -0.173 0.000 0.631 208 A CB -0.647 18.128 19.000 -0.375 0.000 0.814 208 A HN 0.588 nan 8.150 nan 0.000 0.446 209 L N -1.717 119.430 121.223 -0.127 0.000 2.591 209 L HA 0.222 4.565 4.340 0.004 0.000 0.228 209 L C 1.586 178.457 176.870 0.002 0.000 1.133 209 L CA 0.559 55.285 54.840 -0.189 0.000 0.880 209 L CB -0.038 41.888 42.059 -0.221 0.000 1.033 209 L HN 0.605 nan 8.230 nan 0.000 0.450 210 G N -0.925 107.894 108.800 0.031 0.000 2.192 210 G HA2 -0.230 3.732 3.960 0.004 0.000 0.193 210 G HA3 -0.230 3.732 3.960 0.004 0.000 0.193 210 G C 0.312 175.241 174.900 0.049 0.000 0.999 210 G CA 0.104 45.239 45.100 0.058 0.000 0.659 210 G HN 0.213 nan 8.290 nan 0.000 0.503 211 S N 0.188 115.916 115.700 0.047 0.000 2.564 211 S HA 0.446 4.918 4.470 0.004 0.000 0.278 211 S C 0.623 175.227 174.600 0.006 0.000 1.333 211 S CA 0.098 58.310 58.200 0.019 0.000 1.048 211 S CB 0.801 64.012 63.200 0.018 0.000 0.900 211 S HN 0.482 nan 8.310 nan 0.000 0.505 212 K N 3.485 123.881 120.400 -0.007 0.000 2.278 212 K HA 0.179 4.501 4.320 0.004 0.000 0.289 212 K C -0.817 175.772 176.600 -0.019 0.000 1.080 212 K CA 0.041 56.321 56.287 -0.013 0.000 0.934 212 K CB -0.125 32.365 32.500 -0.016 0.000 1.093 212 K HN 0.524 nan 8.250 nan 0.000 0.459 213 T N 2.368 116.912 114.554 -0.016 0.000 2.829 213 T HA 0.322 4.674 4.350 0.004 0.000 0.280 213 T C -0.911 173.774 174.700 -0.024 0.000 0.999 213 T CA -0.667 61.422 62.100 -0.019 0.000 0.983 213 T CB 1.668 70.532 68.868 -0.006 0.000 0.968 213 T HN 0.422 nan 8.240 nan 0.000 0.446 214 S N 2.116 117.795 115.700 -0.035 0.000 2.536 214 S HA 0.702 5.174 4.470 0.004 0.000 0.298 214 S C -1.221 173.351 174.600 -0.046 0.000 1.083 214 S CA -0.750 57.428 58.200 -0.037 0.000 0.995 214 S CB 1.510 64.685 63.200 -0.042 0.000 1.058 214 S HN 0.556 nan 8.310 nan 0.000 0.488 215 L N 3.092 124.292 121.223 -0.039 0.000 2.343 215 L HA 0.601 4.943 4.340 0.004 0.000 0.278 215 L C -0.818 176.028 176.870 -0.041 0.000 0.996 215 L CA -0.355 54.459 54.840 -0.043 0.000 0.831 215 L CB 1.232 43.271 42.059 -0.034 0.000 1.232 215 L HN 0.801 nan 8.230 nan 0.000 0.413 216 M N 7.256 126.829 119.600 -0.045 0.000 2.088 216 M HA 0.543 5.025 4.480 0.004 0.000 0.346 216 M C -1.060 175.225 176.300 -0.026 0.000 1.111 216 M CA -0.542 54.738 55.300 -0.034 0.000 1.017 216 M CB 0.658 33.237 32.600 -0.036 0.000 1.568 216 M HN 0.699 nan 8.290 nan 0.000 0.445 217 I N 1.376 121.920 120.570 -0.042 0.000 2.689 217 I HA 0.504 4.677 4.170 0.004 0.000 0.299 217 I C 0.140 176.194 176.117 -0.104 0.000 1.059 217 I CA -0.977 60.291 61.300 -0.054 0.000 1.055 217 I CB 2.131 40.090 38.000 -0.069 0.000 1.243 217 I HN 0.707 nan 8.210 nan 0.000 0.425 218 R N 1.467 121.909 120.500 -0.096 0.000 2.193 218 R HA 0.160 4.502 4.340 0.004 0.000 0.213 218 R C 0.495 176.440 176.300 -0.592 0.000 1.055 218 R CA 0.867 56.834 56.100 -0.222 0.000 0.995 218 R CB -0.124 30.092 30.300 -0.140 0.000 0.893 218 R HN 0.686 nan 8.270 nan 0.000 0.459 219 H N -1.063 117.719 119.070 -0.479 0.000 4.003 219 H HA 0.084 4.642 4.556 0.004 0.000 0.368 219 H C 0.373 174.993 175.328 -1.180 0.000 1.587 219 H CA -0.331 55.137 56.048 -0.968 0.000 1.281 219 H CB 0.432 29.957 29.762 -0.396 0.000 1.104 219 H HN 0.020 nan 8.280 nan 0.000 0.776 220 D N 0.284 120.310 120.400 -0.622 0.000 2.355 220 D HA 0.089 4.732 4.640 0.004 0.000 0.206 220 D C 0.089 176.314 176.300 -0.124 0.000 1.010 220 D CA 0.552 54.374 54.000 -0.297 0.000 0.875 220 D CB 1.031 41.853 40.800 0.038 0.000 0.966 220 D HN 0.155 nan 8.370 nan 0.000 0.512 221 K N 0.191 120.529 120.400 -0.105 0.000 2.512 221 K HA 0.461 4.784 4.320 0.004 0.000 0.263 221 K C -0.579 175.982 176.600 -0.064 0.000 0.966 221 K CA -1.083 55.166 56.287 -0.064 0.000 0.851 221 K CB 3.407 35.881 32.500 -0.043 0.000 1.395 221 K HN -0.064 nan 8.250 nan 0.000 0.440 222 V N -0.602 119.275 119.914 -0.061 0.000 3.170 222 V HA 0.392 4.514 4.120 0.004 0.000 0.309 222 V C 0.550 176.599 176.094 -0.076 0.000 1.071 222 V CA -0.711 61.551 62.300 -0.064 0.000 1.063 222 V CB 0.130 31.908 31.823 -0.075 0.000 1.123 222 V HN 0.845 nan 8.190 nan 0.000 0.464 223 L N -0.438 120.740 121.223 -0.075 0.000 3.597 223 L HA -0.198 4.144 4.340 0.004 0.000 0.440 223 L C 1.809 178.718 176.870 0.065 0.000 1.277 223 L CA 0.646 55.433 54.840 -0.088 0.000 0.852 223 L CB -1.316 40.457 42.059 -0.476 0.000 1.708 223 L HN 0.842 nan 8.230 nan 0.000 0.885 224 R N 0.268 120.797 120.500 0.048 0.000 2.189 224 R HA -0.109 4.233 4.340 0.004 0.000 0.223 224 R C 2.136 178.476 176.300 0.066 0.000 1.092 224 R CA 1.490 57.602 56.100 0.021 0.000 0.989 224 R CB -0.115 30.147 30.300 -0.063 0.000 0.876 224 R HN 0.749 nan 8.270 nan 0.000 0.457 225 S N -0.337 115.452 115.700 0.147 0.000 2.562 225 S HA 0.037 4.509 4.470 0.004 0.000 0.221 225 S C 0.524 175.172 174.600 0.080 0.000 0.975 225 S CA 0.001 58.256 58.200 0.092 0.000 0.918 225 S CB -0.089 63.150 63.200 0.064 0.000 0.772 225 S HN -0.034 nan 8.310 nan 0.000 0.531 226 F N 2.764 122.684 119.950 -0.051 0.000 2.368 226 F HA 0.371 4.900 4.527 0.004 0.000 0.308 226 F C 1.042 176.765 175.800 -0.129 0.000 1.198 226 F CA -1.940 56.017 58.000 -0.071 0.000 1.130 226 F CB 0.105 39.075 39.000 -0.050 0.000 1.300 226 F HN 0.053 nan 8.300 nan 0.000 0.537 227 D N 0.335 120.698 120.400 -0.062 0.000 2.506 227 D HA -0.087 4.556 4.640 0.004 0.000 0.234 227 D C 1.189 177.445 176.300 -0.073 0.000 1.143 227 D CA 0.544 54.415 54.000 -0.216 0.000 0.871 227 D CB 1.031 41.475 40.800 -0.592 0.000 1.190 227 D HN 0.644 nan 8.370 nan 0.000 0.459 228 S N 3.845 119.503 115.700 -0.070 0.000 2.387 228 S HA -0.298 4.174 4.470 0.004 0.000 0.230 228 S C 2.108 176.693 174.600 -0.025 0.000 1.035 228 S CA 1.342 59.521 58.200 -0.034 0.000 1.014 228 S CB -0.354 62.828 63.200 -0.030 0.000 0.836 228 S HN 0.742 nan 8.310 nan 0.000 0.466 229 M N 0.746 120.327 119.600 -0.032 0.000 2.159 229 M HA -0.062 4.421 4.480 0.004 0.000 0.263 229 M C 1.700 177.996 176.300 -0.006 0.000 1.063 229 M CA 1.640 56.933 55.300 -0.011 0.000 1.110 229 M CB -0.269 32.334 32.600 0.004 0.000 1.374 229 M HN 0.273 nan 8.290 nan 0.000 0.411 230 I N -0.297 120.273 120.570 -0.001 0.000 2.202 230 I HA -0.208 3.965 4.170 0.004 0.000 0.242 230 I C 2.666 178.758 176.117 -0.042 0.000 1.091 230 I CA 1.395 62.694 61.300 -0.002 0.000 1.368 230 I CB -1.710 36.327 38.000 0.061 0.000 1.058 230 I HN 0.408 nan 8.210 nan 0.000 0.410 231 S N 0.482 116.166 115.700 -0.027 0.000 2.359 231 S HA -0.203 4.269 4.470 0.004 0.000 0.224 231 S C 2.118 176.693 174.600 -0.042 0.000 1.035 231 S CA 2.448 60.620 58.200 -0.046 0.000 1.018 231 S CB -0.273 62.916 63.200 -0.017 0.000 0.876 231 S HN 0.481 nan 8.310 nan 0.000 0.448 232 T N 1.613 116.152 114.554 -0.025 0.000 2.674 232 T HA -0.088 4.264 4.350 0.004 0.000 0.265 232 T C 1.780 176.468 174.700 -0.020 0.000 1.039 232 T CA 1.708 63.797 62.100 -0.017 0.000 1.150 232 T CB -0.775 68.088 68.868 -0.008 0.000 0.864 232 T HN 0.604 nan 8.240 nan 0.000 0.427 233 N N 0.033 118.720 118.700 -0.022 0.000 2.120 233 N HA -0.103 4.640 4.740 0.004 0.000 0.188 233 N C 2.083 177.576 175.510 -0.028 0.000 1.024 233 N CA 1.247 54.284 53.050 -0.022 0.000 0.852 233 N CB -0.621 37.854 38.487 -0.020 0.000 1.003 233 N HN 0.405 nan 8.380 nan 0.000 0.424 234 C N -0.352 118.921 119.300 -0.046 0.000 2.429 234 C HA -0.056 4.406 4.460 0.004 0.000 0.277 234 C C 2.508 177.476 174.990 -0.038 0.000 1.262 234 C CA 1.625 60.610 59.018 -0.055 0.000 1.733 234 C CB -1.538 26.136 27.740 -0.109 0.000 2.010 234 C HN 0.528 nan 8.230 nan 0.000 0.483 235 T N 0.543 115.074 114.554 -0.040 0.000 2.708 235 T HA -0.169 4.183 4.350 0.004 0.000 0.266 235 T C 1.563 176.254 174.700 -0.015 0.000 1.037 235 T CA 1.950 64.032 62.100 -0.029 0.000 1.146 235 T CB -0.374 68.476 68.868 -0.030 0.000 0.865 235 T HN 0.691 nan 8.240 nan 0.000 0.435 236 E N 0.707 120.899 120.200 -0.013 0.000 2.077 236 E HA -0.135 4.217 4.350 0.004 0.000 0.193 236 E C 2.503 179.100 176.600 -0.005 0.000 0.989 236 E CA 0.828 57.224 56.400 -0.007 0.000 0.800 236 E CB -0.039 29.657 29.700 -0.008 0.000 0.746 236 E HN 0.408 nan 8.360 nan 0.000 0.452 237 E N 0.667 120.866 120.200 -0.002 0.000 2.106 237 E HA -0.154 4.199 4.350 0.004 0.000 0.192 237 E C 2.282 178.895 176.600 0.021 0.000 0.984 237 E CA 0.619 57.025 56.400 0.011 0.000 0.806 237 E CB -0.139 29.573 29.700 0.021 0.000 0.750 237 E HN 0.295 nan 8.360 nan 0.000 0.458 238 L N 1.019 122.253 121.223 0.017 0.000 1.989 238 L HA -0.224 4.119 4.340 0.004 0.000 0.211 238 L C 2.433 179.308 176.870 0.008 0.000 1.071 238 L CA 1.459 56.311 54.840 0.020 0.000 0.749 238 L CB -0.357 41.708 42.059 0.008 0.000 0.890 238 L HN 0.108 nan 8.230 nan 0.000 0.431 239 E N -0.219 119.982 120.200 0.000 0.000 2.077 239 E HA -0.204 4.148 4.350 0.004 0.000 0.193 239 E C 1.866 178.463 176.600 -0.006 0.000 0.989 239 E CA 1.164 57.562 56.400 -0.004 0.000 0.800 239 E CB -0.179 29.519 29.700 -0.004 0.000 0.746 239 E HN 0.471 nan 8.360 nan 0.000 0.452 240 N N 0.640 119.337 118.700 -0.005 0.000 2.309 240 N HA -0.093 4.650 4.740 0.004 0.000 0.182 240 N C 1.285 176.788 175.510 -0.012 0.000 1.018 240 N CA 1.020 54.064 53.050 -0.011 0.000 0.876 240 N CB -0.092 38.388 38.487 -0.012 0.000 0.972 240 N HN 0.107 nan 8.380 nan 0.000 0.434 241 A N -0.540 122.277 122.820 -0.004 0.000 2.251 241 A HA 0.460 4.782 4.320 0.004 0.000 0.209 241 A C 1.460 179.032 177.584 -0.020 0.000 1.187 241 A CA 0.712 52.743 52.037 -0.010 0.000 0.823 241 A CB -0.240 18.760 19.000 0.000 0.000 0.846 241 A HN 0.296 nan 8.150 nan 0.000 0.486 242 G N -1.743 107.046 108.800 -0.017 0.000 2.176 242 G HA2 -0.186 3.776 3.960 0.004 0.000 0.232 242 G HA3 -0.186 3.776 3.960 0.004 0.000 0.232 242 G C 0.135 175.027 174.900 -0.014 0.000 0.986 242 G CA -0.003 45.085 45.100 -0.020 0.000 0.643 242 G HN 0.717 nan 8.290 nan 0.000 0.522 243 V N 1.532 121.441 119.914 -0.009 0.000 2.508 243 V HA 0.343 4.465 4.120 0.004 0.000 0.281 243 V C 0.882 176.970 176.094 -0.010 0.000 1.041 243 V CA -0.050 62.245 62.300 -0.007 0.000 1.016 243 V CB 1.621 33.444 31.823 0.000 0.000 0.984 243 V HN 0.425 nan 8.190 nan 0.000 0.478 244 E N 4.571 124.763 120.200 -0.013 0.000 2.166 244 E HA 0.227 4.580 4.350 0.004 0.000 0.279 244 E C -0.969 175.623 176.600 -0.015 0.000 1.095 244 E CA -0.426 55.967 56.400 -0.013 0.000 0.888 244 E CB 0.979 30.671 29.700 -0.014 0.000 1.041 244 E HN 0.531 nan 8.360 nan 0.000 0.414 245 V N 7.199 127.106 119.914 -0.012 0.000 2.368 245 V HA 0.147 4.269 4.120 0.004 0.000 0.266 245 V C 0.264 176.351 176.094 -0.011 0.000 1.045 245 V CA -0.455 61.835 62.300 -0.016 0.000 0.899 245 V CB 0.778 32.590 31.823 -0.018 0.000 1.006 245 V HN 0.645 nan 8.190 nan 0.000 0.470 246 L N 6.488 127.702 121.223 -0.016 0.000 2.302 246 L HA 0.390 4.732 4.340 0.004 0.000 0.285 246 L C 0.495 177.360 176.870 -0.009 0.000 1.090 246 L CA -0.172 54.666 54.840 -0.004 0.000 0.866 246 L CB 0.163 42.218 42.059 -0.008 0.000 1.244 246 L HN 0.564 nan 8.230 nan 0.000 0.435 247 K N 2.980 123.387 120.400 0.012 0.000 2.154 247 K HA 0.351 4.673 4.320 0.004 0.000 0.264 247 K C 0.015 176.659 176.600 0.073 0.000 1.008 247 K CA -0.656 55.613 56.287 -0.030 0.000 0.937 247 K CB 0.612 33.131 32.500 0.032 0.000 1.002 247 K HN 0.272 nan 8.250 nan 0.000 0.469 248 F N -0.197 119.738 119.950 -0.025 0.000 3.067 248 F HA -0.282 4.247 4.527 0.004 0.000 0.279 248 F C -0.187 175.583 175.800 -0.050 0.000 0.945 248 F CA 0.262 58.225 58.000 -0.061 0.000 0.948 248 F CB -1.528 37.444 39.000 -0.047 0.000 0.898 248 F HN 0.276 nan 8.300 nan 0.000 0.746 249 S N -0.116 115.607 115.700 0.039 0.000 2.526 249 S HA 0.769 5.241 4.470 0.004 0.000 0.293 249 S C -0.390 174.224 174.600 0.024 0.000 1.092 249 S CA -0.849 57.374 58.200 0.039 0.000 0.980 249 S CB 2.795 66.012 63.200 0.028 0.000 1.048 249 S HN 0.278 nan 8.310 nan 0.000 0.483 250 Q N 1.070 120.894 119.800 0.040 0.000 2.379 250 Q HA 0.508 4.851 4.340 0.004 0.000 0.278 250 Q C -1.368 174.678 176.000 0.077 0.000 1.068 250 Q CA -0.869 54.971 55.803 0.061 0.000 0.816 250 Q CB 2.241 31.011 28.738 0.053 0.000 1.387 250 Q HN 0.444 nan 8.270 nan 0.000 0.413 251 V N 2.518 122.508 119.914 0.128 0.000 2.488 251 V HA 0.071 4.193 4.120 0.004 0.000 0.277 251 V C 0.922 177.097 176.094 0.136 0.000 1.046 251 V CA 0.297 62.684 62.300 0.146 0.000 0.986 251 V CB 1.184 33.166 31.823 0.266 0.000 0.989 251 V HN 0.771 nan 8.190 nan 0.000 0.475 252 K N 3.175 123.632 120.400 0.095 0.000 2.276 252 K HA 0.232 4.555 4.320 0.004 0.000 0.198 252 K C 0.564 177.212 176.600 0.081 0.000 1.052 252 K CA 0.486 56.819 56.287 0.075 0.000 0.984 252 K CB 0.611 33.141 32.500 0.050 0.000 0.836 252 K HN 0.823 nan 8.250 nan 0.000 0.490 253 E N -0.399 119.855 120.200 0.089 0.000 2.388 253 E HA 0.256 4.609 4.350 0.004 0.000 0.280 253 E C -1.953 174.699 176.600 0.087 0.000 1.019 253 E CA -0.875 55.575 56.400 0.084 0.000 0.806 253 E CB 2.201 31.933 29.700 0.053 0.000 1.246 253 E HN -0.090 nan 8.360 nan 0.000 0.443 254 V N 2.529 122.498 119.914 0.091 0.000 2.638 254 V HA 0.564 4.686 4.120 0.004 0.000 0.306 254 V C -0.759 175.365 176.094 0.050 0.000 1.052 254 V CA -0.821 61.521 62.300 0.070 0.000 0.885 254 V CB 1.829 33.715 31.823 0.103 0.000 0.999 254 V HN 0.567 nan 8.190 nan 0.000 0.424 255 K N 2.120 122.536 120.400 0.028 0.000 2.426 255 K HA 0.607 4.929 4.320 0.004 0.000 0.251 255 K C -1.039 175.567 176.600 0.010 0.000 0.941 255 K CA -1.148 55.151 56.287 0.021 0.000 0.808 255 K CB 2.782 35.291 32.500 0.016 0.000 1.265 255 K HN 0.509 nan 8.250 nan 0.000 0.432 256 K N 1.624 122.030 120.400 0.010 0.000 2.298 256 K HA 0.154 4.477 4.320 0.004 0.000 0.280 256 K C -0.433 176.167 176.600 -0.001 0.000 1.032 256 K CA 0.133 56.421 56.287 0.003 0.000 0.958 256 K CB 0.684 33.186 32.500 0.005 0.000 0.978 256 K HN 0.720 nan 8.250 nan 0.000 0.472 257 T N 0.390 114.940 114.554 -0.007 0.000 2.910 257 T HA 0.336 4.689 4.350 0.004 0.000 0.287 257 T C 1.267 175.961 174.700 -0.010 0.000 1.050 257 T CA -0.955 61.140 62.100 -0.008 0.000 1.011 257 T CB 0.603 69.465 68.868 -0.010 0.000 1.195 257 T HN 0.425 nan 8.240 nan 0.000 0.540 258 L N 0.658 121.875 121.223 -0.010 0.000 2.131 258 L HA -0.012 4.330 4.340 0.004 0.000 0.210 258 L C 2.767 179.628 176.870 -0.015 0.000 1.092 258 L CA 1.675 56.508 54.840 -0.011 0.000 0.759 258 L CB -0.384 41.670 42.059 -0.009 0.000 0.903 258 L HN 0.881 nan 8.230 nan 0.000 0.435 259 S N -1.728 113.962 115.700 -0.017 0.000 2.523 259 S HA 0.332 4.804 4.470 0.004 0.000 0.217 259 S C 0.740 175.323 174.600 -0.028 0.000 0.996 259 S CA 0.282 58.469 58.200 -0.022 0.000 0.921 259 S CB 0.634 63.821 63.200 -0.022 0.000 0.829 259 S HN 0.500 nan 8.310 nan 0.000 0.495 260 G N 0.786 109.571 108.800 -0.026 0.000 2.528 260 G HA2 0.251 4.213 3.960 0.004 0.000 0.078 260 G HA3 0.251 4.213 3.960 0.004 0.000 0.078 260 G C -1.714 173.169 174.900 -0.028 0.000 1.008 260 G CA -0.437 44.644 45.100 -0.032 0.000 1.309 260 G HN 0.348 nan 8.290 nan 0.000 0.564 261 L N 0.830 122.033 121.223 -0.034 0.000 2.401 261 L HA 0.698 5.040 4.340 0.004 0.000 0.266 261 L C -0.884 175.968 176.870 -0.030 0.000 0.991 261 L CA -0.656 54.165 54.840 -0.031 0.000 0.818 261 L CB 2.620 44.652 42.059 -0.045 0.000 1.321 261 L HN 0.590 nan 8.230 nan 0.000 0.413 262 E N 1.658 121.847 120.200 -0.019 0.000 2.133 262 E HA 0.504 4.856 4.350 0.004 0.000 0.274 262 E C -1.513 175.078 176.600 -0.015 0.000 0.930 262 E CA -0.634 55.756 56.400 -0.017 0.000 0.770 262 E CB 1.961 31.656 29.700 -0.009 0.000 1.104 262 E HN 0.322 nan 8.360 nan 0.000 0.403 263 V N 3.752 123.651 119.914 -0.024 0.000 2.370 263 V HA 0.222 4.345 4.120 0.004 0.000 0.279 263 V C 0.051 176.142 176.094 -0.005 0.000 1.029 263 V CA -0.611 61.676 62.300 -0.022 0.000 0.870 263 V CB 1.409 33.196 31.823 -0.059 0.000 0.984 263 V HN 0.639 nan 8.190 nan 0.000 0.451 264 S N 6.776 122.485 115.700 0.015 0.000 2.430 264 S HA 0.641 5.113 4.470 0.004 0.000 0.289 264 S C -0.497 174.119 174.600 0.027 0.000 1.143 264 S CA -0.533 57.678 58.200 0.020 0.000 1.067 264 S CB 0.267 63.483 63.200 0.026 0.000 0.964 264 S HN 0.742 nan 8.310 nan 0.000 0.485 265 M N 5.891 125.503 119.600 0.020 0.000 2.456 265 M HA 0.638 5.120 4.480 0.004 0.000 0.324 265 M C -1.769 174.546 176.300 0.025 0.000 1.124 265 M CA -0.682 54.632 55.300 0.024 0.000 0.959 265 M CB 1.646 34.253 32.600 0.012 0.000 1.692 265 M HN 0.401 nan 8.290 nan 0.000 0.444 266 V N 3.071 123.004 119.914 0.032 0.000 2.417 266 V HA 0.524 4.646 4.120 0.004 0.000 0.291 266 V C -0.380 175.736 176.094 0.037 0.000 1.024 266 V CA -0.559 61.759 62.300 0.029 0.000 0.861 266 V CB 1.630 33.470 31.823 0.029 0.000 0.985 266 V HN 0.913 nan 8.190 nan 0.000 0.436 267 T N 3.887 118.463 114.554 0.036 0.000 2.807 267 T HA 0.709 5.061 4.350 0.004 0.000 0.279 267 T C -0.019 174.705 174.700 0.041 0.000 0.993 267 T CA -0.294 61.838 62.100 0.055 0.000 0.970 267 T CB 1.585 70.484 68.868 0.052 0.000 0.950 267 T HN 0.923 nan 8.240 nan 0.000 0.441 268 A N 3.317 126.171 122.820 0.057 0.000 3.127 268 A HA 0.596 4.918 4.320 0.004 0.000 0.319 268 A C -0.216 177.294 177.584 -0.122 0.000 1.104 268 A CA -0.535 51.495 52.037 -0.012 0.000 0.802 268 A CB 0.280 19.278 19.000 -0.004 0.000 1.193 268 A HN 0.665 nan 8.150 nan 0.000 0.479 269 V N 2.779 122.584 119.914 -0.182 0.000 2.555 269 V HA 0.217 4.340 4.120 0.004 0.000 0.286 269 V C -2.033 173.784 176.094 -0.461 0.000 1.044 269 V CA -1.248 60.773 62.300 -0.465 0.000 1.026 269 V CB 0.935 32.637 31.823 -0.203 0.000 0.981 269 V HN 0.648 nan 8.190 nan 0.000 0.480 270 P HA 0.179 nan 4.420 nan 0.000 0.262 270 P C 0.945 178.117 177.300 -0.212 0.000 1.182 270 P CA 1.371 64.258 63.100 -0.354 0.000 0.761 270 P CB 0.461 31.959 31.700 -0.337 0.000 0.795 271 G N 2.097 110.816 108.800 -0.136 0.000 2.199 271 G HA2 -0.237 3.725 3.960 0.004 0.000 0.254 271 G HA3 -0.237 3.725 3.960 0.004 0.000 0.254 271 G C 0.285 175.139 174.900 -0.076 0.000 0.982 271 G CA -0.256 44.791 45.100 -0.088 0.000 0.632 271 G HN 0.582 nan 8.290 nan 0.000 0.529 272 R N -0.871 119.575 120.500 -0.090 0.000 2.943 272 R HA 0.792 5.135 4.340 0.004 0.000 0.246 272 R C -0.046 176.219 176.300 -0.059 0.000 1.201 272 R CA -0.993 55.068 56.100 -0.065 0.000 1.056 272 R CB 1.025 31.287 30.300 -0.063 0.000 1.243 272 R HN 0.138 nan 8.270 nan 0.000 0.498 273 L N 1.933 123.131 121.223 -0.041 0.000 2.357 273 L HA 0.403 4.745 4.340 0.004 0.000 0.273 273 L C -2.020 174.834 176.870 -0.028 0.000 1.080 273 L CA -2.127 52.693 54.840 -0.032 0.000 0.803 273 L CB 1.066 43.112 42.059 -0.022 0.000 1.174 273 L HN 0.235 nan 8.230 nan 0.000 0.443 274 P HA 0.096 nan 4.420 nan 0.000 0.269 274 P C -1.041 176.256 177.300 -0.005 0.000 1.209 274 P CA -0.037 63.056 63.100 -0.011 0.000 0.776 274 P CB 1.021 32.716 31.700 -0.008 0.000 0.876 275 V N 4.027 123.942 119.914 0.002 0.000 2.888 275 V HA 0.507 4.629 4.120 0.004 0.000 0.309 275 V C -1.150 174.950 176.094 0.009 0.000 1.114 275 V CA -0.888 61.414 62.300 0.004 0.000 0.940 275 V CB 2.036 33.861 31.823 0.003 0.000 1.021 275 V HN 0.289 nan 8.190 nan 0.000 0.426 276 M N 4.473 124.078 119.600 0.008 0.000 2.209 276 M HA 0.536 5.019 4.480 0.004 0.000 0.355 276 M C -0.261 176.044 176.300 0.008 0.000 1.171 276 M CA -0.020 55.286 55.300 0.010 0.000 1.069 276 M CB 0.876 33.482 32.600 0.010 0.000 1.622 276 M HN 0.695 nan 8.290 nan 0.000 0.459 277 T N 3.628 118.187 114.554 0.009 0.000 2.848 277 T HA 0.623 4.975 4.350 0.004 0.000 0.285 277 T C -0.390 174.312 174.700 0.003 0.000 0.995 277 T CA -0.644 61.459 62.100 0.005 0.000 0.970 277 T CB 1.537 70.408 68.868 0.005 0.000 0.976 277 T HN 0.397 nan 8.240 nan 0.000 0.441 278 M N 3.039 122.639 119.600 0.000 0.000 2.188 278 M HA 0.488 4.970 4.480 0.004 0.000 0.357 278 M C -0.397 175.897 176.300 -0.009 0.000 1.204 278 M CA -0.942 54.356 55.300 -0.003 0.000 1.095 278 M CB 0.351 32.950 32.600 -0.002 0.000 1.604 278 M HN 0.474 nan 8.290 nan 0.000 0.464 279 I N 6.371 126.932 120.570 -0.015 0.000 2.330 279 I HA 0.361 4.534 4.170 0.004 0.000 0.286 279 I C -2.115 173.987 176.117 -0.025 0.000 1.025 279 I CA -1.683 59.603 61.300 -0.023 0.000 1.197 279 I CB 1.050 39.030 38.000 -0.033 0.000 1.358 279 I HN 0.405 nan 8.210 nan 0.000 0.467 280 P HA 0.224 nan 4.420 nan 0.000 0.280 280 P C -0.718 176.566 177.300 -0.028 0.000 1.272 280 P CA -0.097 62.989 63.100 -0.022 0.000 0.819 280 P CB 0.879 32.569 31.700 -0.017 0.000 1.122 281 D N -2.220 118.163 120.400 -0.028 0.000 2.800 281 D HA -0.102 4.540 4.640 0.004 0.000 0.232 281 D C -0.348 175.928 176.300 -0.040 0.000 1.137 281 D CA 0.583 54.564 54.000 -0.031 0.000 0.718 281 D CB -2.106 38.678 40.800 -0.027 0.000 1.084 281 D HN 0.084 nan 8.370 nan 0.000 0.432 282 V N 1.203 121.088 119.914 -0.047 0.000 2.432 282 V HA 0.052 4.174 4.120 0.004 0.000 0.271 282 V C 1.509 177.564 176.094 -0.066 0.000 1.046 282 V CA -0.074 62.189 62.300 -0.062 0.000 0.945 282 V CB 1.607 33.384 31.823 -0.076 0.000 0.992 282 V HN 0.035 nan 8.190 nan 0.000 0.471 283 D N 2.085 122.441 120.400 -0.072 0.000 2.216 283 D HA 0.015 4.657 4.640 0.004 0.000 0.208 283 D C 0.617 176.862 176.300 -0.091 0.000 0.960 283 D CA 0.902 54.853 54.000 -0.080 0.000 0.861 283 D CB 0.499 41.245 40.800 -0.089 0.000 0.985 283 D HN 0.556 nan 8.370 nan 0.000 0.493 284 C N 1.743 120.984 119.300 -0.099 0.000 2.346 284 C HA 0.589 5.051 4.460 0.004 0.000 0.326 284 C C -1.061 173.850 174.990 -0.133 0.000 1.224 284 C CA -0.917 58.039 59.018 -0.104 0.000 1.408 284 C CB -0.272 27.412 27.740 -0.092 0.000 2.089 284 C HN 0.136 nan 8.230 nan 0.000 0.456 285 L N 7.174 128.291 121.223 -0.176 0.000 2.298 285 L HA 0.700 5.042 4.340 0.004 0.000 0.284 285 L C -0.993 175.660 176.870 -0.362 0.000 1.013 285 L CA -0.147 54.508 54.840 -0.309 0.000 0.824 285 L CB 1.192 43.028 42.059 -0.371 0.000 1.221 285 L HN 0.786 nan 8.230 nan 0.000 0.418 286 L N 5.597 126.608 121.223 -0.354 0.000 2.319 286 L HA 0.491 4.833 4.340 0.004 0.000 0.281 286 L C -1.299 175.412 176.870 -0.265 0.000 1.005 286 L CA -0.452 54.249 54.840 -0.232 0.000 0.828 286 L CB 0.901 42.892 42.059 -0.113 0.000 1.227 286 L HN 0.695 nan 8.230 nan 0.000 0.415 287 W N 5.057 126.339 121.300 -0.029 0.000 2.388 287 W HA 0.489 5.151 4.660 0.003 0.000 0.308 287 W C 0.397 176.887 176.519 -0.047 0.000 1.263 287 W CA -0.588 56.737 57.345 -0.034 0.000 1.286 287 W CB 1.127 30.569 29.460 -0.030 0.000 1.294 287 W HN 0.586 nan 8.180 nan 0.000 0.493 288 A N 5.414 128.335 122.820 0.168 0.000 3.297 288 A HA 0.326 4.649 4.320 0.004 0.000 0.304 288 A C 0.359 177.981 177.584 0.063 0.000 0.963 288 A CA -0.454 51.615 52.037 0.054 0.000 0.935 288 A CB -0.642 18.334 19.000 -0.040 0.000 1.093 288 A HN 0.803 nan 8.150 nan 0.000 0.480 289 I N -3.552 117.077 120.570 0.098 0.000 4.082 289 I HA 0.640 4.812 4.170 0.004 0.000 0.337 289 I C 0.577 176.721 176.117 0.045 0.000 1.352 289 I CA 0.158 61.506 61.300 0.079 0.000 1.097 289 I CB 0.614 38.672 38.000 0.098 0.000 1.048 289 I HN 0.450 nan 8.210 nan 0.000 0.393 290 G N 1.285 110.106 108.800 0.035 0.000 2.359 290 G HA2 0.266 4.228 3.960 0.004 0.000 0.293 290 G HA3 0.266 4.228 3.960 0.004 0.000 0.293 290 G C -1.733 173.188 174.900 0.035 0.000 1.300 290 G CA -1.043 44.081 45.100 0.039 0.000 0.888 290 G HN 0.107 nan 8.290 nan 0.000 0.541 291 R N -0.827 119.706 120.500 0.056 0.000 2.686 291 R HA 0.732 5.075 4.340 0.004 0.000 0.286 291 R C -1.002 175.332 176.300 0.056 0.000 0.969 291 R CA -0.701 55.434 56.100 0.059 0.000 0.898 291 R CB 2.007 32.360 30.300 0.089 0.000 1.183 291 R HN 0.548 nan 8.270 nan 0.000 0.456 292 V N 3.867 123.791 119.914 0.017 0.000 2.555 292 V HA 0.425 4.548 4.120 0.004 0.000 0.302 292 V C -2.034 174.038 176.094 -0.036 0.000 1.038 292 V CA -2.064 60.214 62.300 -0.037 0.000 0.887 292 V CB 2.261 34.055 31.823 -0.048 0.000 0.991 292 V HN 0.626 nan 8.190 nan 0.000 0.434 293 P HA 0.168 nan 4.420 nan 0.000 0.274 293 P C -0.760 176.528 177.300 -0.021 0.000 1.231 293 P CA -0.480 62.597 63.100 -0.038 0.000 0.790 293 P CB 0.777 32.418 31.700 -0.098 0.000 0.951 294 N N 1.553 120.263 118.700 0.017 0.000 2.868 294 N HA 0.100 4.843 4.740 0.004 0.000 0.252 294 N C 0.727 176.266 175.510 0.048 0.000 1.130 294 N CA 0.232 53.300 53.050 0.029 0.000 1.026 294 N CB 0.046 38.553 38.487 0.034 0.000 1.335 294 N HN 0.494 nan 8.380 nan 0.000 0.516 295 T N -3.800 110.779 114.554 0.041 0.000 3.041 295 T HA 0.111 4.463 4.350 0.004 0.000 0.276 295 T C 1.796 176.538 174.700 0.070 0.000 0.948 295 T CA 0.025 62.162 62.100 0.061 0.000 0.885 295 T CB 0.203 69.098 68.868 0.046 0.000 1.175 295 T HN 0.223 nan 8.240 nan 0.000 0.529 296 K N 1.992 122.426 120.400 0.055 0.000 2.147 296 K HA -0.033 4.289 4.320 0.004 0.000 0.205 296 K C 1.501 178.147 176.600 0.077 0.000 1.049 296 K CA 1.713 58.031 56.287 0.051 0.000 0.936 296 K CB -0.902 31.617 32.500 0.031 0.000 0.722 296 K HN 0.520 nan 8.250 nan 0.000 0.446 297 D N -0.541 119.930 120.400 0.118 0.000 2.463 297 D HA 0.212 4.854 4.640 0.004 0.000 0.224 297 D C 0.927 177.374 176.300 0.245 0.000 1.174 297 D CA -0.157 53.935 54.000 0.153 0.000 0.829 297 D CB 0.481 41.336 40.800 0.091 0.000 0.993 297 D HN 0.320 nan 8.370 nan 0.000 0.497 298 L N -0.112 121.220 121.223 0.182 0.000 2.558 298 L HA 0.003 4.346 4.340 0.004 0.000 0.225 298 L C 0.462 177.470 176.870 0.230 0.000 1.128 298 L CA 0.184 55.127 54.840 0.170 0.000 0.868 298 L CB -0.083 42.095 42.059 0.199 0.000 1.006 298 L HN -0.126 nan 8.230 nan 0.000 0.454 299 S N -0.178 115.632 115.700 0.184 0.000 3.682 299 S HA -0.182 4.291 4.470 0.004 0.000 0.354 299 S C 1.239 175.948 174.600 0.182 0.000 1.034 299 S CA 0.238 58.539 58.200 0.168 0.000 1.084 299 S CB -1.698 61.601 63.200 0.166 0.000 0.903 299 S HN 0.358 nan 8.310 nan 0.000 0.470 300 L N 1.216 122.525 121.223 0.143 0.000 2.127 300 L HA -0.203 4.140 4.340 0.004 0.000 0.211 300 L C 2.568 179.424 176.870 -0.024 0.000 1.089 300 L CA 1.787 56.647 54.840 0.033 0.000 0.757 300 L CB -0.605 41.469 42.059 0.026 0.000 0.899 300 L HN 0.705 nan 8.230 nan 0.000 0.434 301 N N 0.744 119.451 118.700 0.012 0.000 2.364 301 N HA -0.218 4.524 4.740 0.004 0.000 0.183 301 N C 1.429 176.936 175.510 -0.005 0.000 1.022 301 N CA 1.111 54.160 53.050 -0.001 0.000 0.883 301 N CB -0.222 38.274 38.487 0.015 0.000 0.965 301 N HN 0.399 nan 8.380 nan 0.000 0.438 302 K N 0.112 120.522 120.400 0.015 0.000 2.283 302 K HA 0.098 4.420 4.320 0.004 0.000 0.202 302 K C 1.369 177.958 176.600 -0.018 0.000 1.048 302 K CA 0.647 56.946 56.287 0.020 0.000 0.948 302 K CB 0.156 32.697 32.500 0.068 0.000 0.742 302 K HN 0.256 nan 8.250 nan 0.000 0.458 303 L N -0.823 120.353 121.223 -0.078 0.000 2.858 303 L HA 0.213 4.555 4.340 0.004 0.000 0.251 303 L C 0.688 177.488 176.870 -0.116 0.000 1.149 303 L CA -0.109 54.657 54.840 -0.123 0.000 0.955 303 L CB 0.870 42.780 42.059 -0.249 0.000 1.289 303 L HN 0.277 nan 8.230 nan 0.000 0.542 304 G N 1.554 110.302 108.800 -0.087 0.000 2.176 304 G HA2 -0.288 3.674 3.960 0.004 0.000 0.252 304 G HA3 -0.288 3.674 3.960 0.004 0.000 0.252 304 G C 0.178 175.027 174.900 -0.085 0.000 1.024 304 G CA -0.103 44.956 45.100 -0.068 0.000 0.755 304 G HN 0.297 nan 8.290 nan 0.000 0.507 305 I N 0.560 121.057 120.570 -0.122 0.000 2.556 305 I HA 0.128 4.300 4.170 0.004 0.000 0.284 305 I C 1.077 177.157 176.117 -0.062 0.000 1.114 305 I CA 0.043 61.269 61.300 -0.122 0.000 1.418 305 I CB 1.019 38.903 38.000 -0.194 0.000 1.394 305 I HN 0.315 nan 8.210 nan 0.000 0.552 306 Q N 5.708 125.482 119.800 -0.043 0.000 2.304 306 Q HA 0.269 4.612 4.340 0.004 0.000 0.260 306 Q C -0.522 175.479 176.000 0.001 0.000 0.965 306 Q CA -0.322 55.471 55.803 -0.018 0.000 0.898 306 Q CB 0.934 29.664 28.738 -0.014 0.000 1.196 306 Q HN 0.780 nan 8.270 nan 0.000 0.402 307 T N 0.119 114.679 114.554 0.010 0.000 2.916 307 T HA 0.409 4.761 4.350 0.004 0.000 0.292 307 T C -0.512 174.208 174.700 0.034 0.000 1.064 307 T CA -1.018 61.100 62.100 0.029 0.000 1.011 307 T CB 1.412 70.293 68.868 0.022 0.000 1.152 307 T HN 0.669 nan 8.240 nan 0.000 0.510 308 D N -0.036 120.400 120.400 0.061 0.000 2.447 308 D HA 0.209 4.851 4.640 0.004 0.000 0.265 308 D C 0.414 176.736 176.300 0.037 0.000 1.250 308 D CA -0.643 53.393 54.000 0.061 0.000 1.046 308 D CB 0.092 40.958 40.800 0.110 0.000 1.095 308 D HN 0.423 nan 8.370 nan 0.000 0.555 309 D N -1.027 119.395 120.400 0.036 0.000 2.310 309 D HA -0.069 4.573 4.640 0.004 0.000 0.212 309 D C 1.076 177.376 176.300 -0.000 0.000 0.965 309 D CA 0.804 54.814 54.000 0.016 0.000 0.879 309 D CB 0.075 40.885 40.800 0.016 0.000 0.921 309 D HN 0.438 nan 8.370 nan 0.000 0.510 310 K N -0.653 119.744 120.400 -0.004 0.000 2.404 310 K HA 0.201 4.523 4.320 0.004 0.000 0.194 310 K C 1.178 177.648 176.600 -0.216 0.000 1.023 310 K CA 0.402 56.635 56.287 -0.090 0.000 1.094 310 K CB 0.914 33.377 32.500 -0.062 0.000 0.841 310 K HN 0.083 nan 8.250 nan 0.000 0.523 311 G N 1.233 109.948 108.800 -0.141 0.000 2.176 311 G HA2 -0.242 3.721 3.960 0.004 0.000 0.232 311 G HA3 -0.242 3.721 3.960 0.004 0.000 0.232 311 G C -0.406 174.419 174.900 -0.125 0.000 0.986 311 G CA -0.251 44.771 45.100 -0.129 0.000 0.643 311 G HN 0.450 nan 8.290 nan 0.000 0.522 312 H N 0.112 119.194 119.070 0.019 0.000 2.732 312 H HA 0.499 5.058 4.556 0.005 0.000 0.351 312 H C 1.196 176.535 175.328 0.018 0.000 1.090 312 H CA 0.047 56.107 56.048 0.020 0.000 1.431 312 H CB 0.730 30.500 29.762 0.012 0.000 1.447 312 H HN 0.296 nan 8.280 nan 0.000 0.582 313 I N 3.944 124.607 120.570 0.154 0.000 2.556 313 I HA -0.038 4.134 4.170 0.004 0.000 0.284 313 I C 0.051 176.215 176.117 0.078 0.000 1.114 313 I CA -0.094 61.262 61.300 0.093 0.000 1.418 313 I CB 0.364 38.414 38.000 0.083 0.000 1.394 313 I HN 0.359 nan 8.210 nan 0.000 0.552 314 I N 7.409 128.008 120.570 0.048 0.000 2.441 314 I HA 0.254 4.427 4.170 0.004 0.000 0.287 314 I C 0.305 176.436 176.117 0.024 0.000 1.049 314 I CA -0.100 61.216 61.300 0.027 0.000 1.381 314 I CB 0.930 38.940 38.000 0.016 0.000 1.409 314 I HN 0.307 nan 8.210 nan 0.000 0.523 315 V N 2.765 122.688 119.914 0.015 0.000 3.102 315 V HA 0.711 4.833 4.120 0.004 0.000 0.312 315 V C -0.542 175.562 176.094 0.017 0.000 1.135 315 V CA -0.976 61.344 62.300 0.034 0.000 1.022 315 V CB 2.115 33.974 31.823 0.059 0.000 1.056 315 V HN 0.726 nan 8.190 nan 0.000 0.436 316 D N 0.656 121.089 120.400 0.054 0.000 2.478 316 D HA 0.182 4.824 4.640 0.004 0.000 0.274 316 D C 0.992 177.297 176.300 0.009 0.000 1.234 316 D CA 0.162 54.190 54.000 0.046 0.000 1.069 316 D CB 0.492 41.360 40.800 0.113 0.000 1.113 316 D HN 0.868 nan 8.370 nan 0.000 0.571 317 E N -0.952 119.205 120.200 -0.071 0.000 2.338 317 E HA -0.122 4.230 4.350 0.004 0.000 0.197 317 E C 0.886 177.303 176.600 -0.306 0.000 1.007 317 E CA 0.711 56.974 56.400 -0.228 0.000 0.849 317 E CB -0.557 28.916 29.700 -0.379 0.000 0.774 317 E HN 0.445 nan 8.360 nan 0.000 0.506 318 F N 1.057 121.055 119.950 0.081 0.000 2.660 318 F HA 0.193 4.722 4.527 0.004 0.000 0.302 318 F C 0.326 176.198 175.800 0.119 0.000 1.103 318 F CA -0.415 57.637 58.000 0.087 0.000 1.340 318 F CB 0.585 39.628 39.000 0.072 0.000 1.048 318 F HN -0.175 nan 8.300 nan 0.000 0.551 319 Q N -0.910 119.037 119.800 0.245 0.000 2.460 319 Q HA -0.215 4.127 4.340 0.004 0.000 0.248 319 Q C -0.887 175.305 176.000 0.320 0.000 0.847 319 Q CA 0.443 56.391 55.803 0.242 0.000 1.214 319 Q CB -2.491 26.387 28.738 0.234 0.000 1.523 319 Q HN 0.405 nan 8.270 nan 0.000 0.602 320 N N 1.961 120.850 118.700 0.315 0.000 2.513 320 N HA 0.140 4.882 4.740 0.004 0.000 0.268 320 N C 0.887 176.460 175.510 0.105 0.000 1.180 320 N CA 0.802 53.998 53.050 0.244 0.000 0.948 320 N CB 0.948 39.554 38.487 0.199 0.000 1.083 320 N HN 0.389 nan 8.380 nan 0.000 0.455 321 T N -1.003 113.557 114.554 0.011 0.000 2.729 321 T HA 0.027 4.380 4.350 0.004 0.000 0.298 321 T C 1.358 176.039 174.700 -0.032 0.000 1.013 321 T CA -0.537 61.551 62.100 -0.020 0.000 0.957 321 T CB 0.333 69.159 68.868 -0.069 0.000 1.130 321 T HN 0.560 nan 8.240 nan 0.000 0.526 322 N N -0.444 118.232 118.700 -0.039 0.000 2.571 322 N HA -0.022 4.720 4.740 0.004 0.000 0.189 322 N C -0.161 175.311 175.510 -0.063 0.000 1.154 322 N CA 0.033 53.060 53.050 -0.038 0.000 0.907 322 N CB -0.383 38.086 38.487 -0.032 0.000 0.977 322 N HN 0.387 nan 8.380 nan 0.000 0.449 323 V N 1.166 121.019 119.914 -0.102 0.000 2.384 323 V HA 0.196 4.318 4.120 0.004 0.000 0.287 323 V C 0.052 176.058 176.094 -0.146 0.000 1.020 323 V CA -1.046 61.181 62.300 -0.122 0.000 0.850 323 V CB 1.488 33.214 31.823 -0.162 0.000 0.987 323 V HN -0.054 nan 8.190 nan 0.000 0.436 324 K N 2.989 123.327 120.400 -0.104 0.000 2.524 324 K HA 0.369 4.691 4.320 0.004 0.000 0.279 324 K C 1.229 177.743 176.600 -0.143 0.000 0.993 324 K CA 1.252 57.481 56.287 -0.097 0.000 1.030 324 K CB -0.119 32.353 32.500 -0.047 0.000 0.891 324 K HN 1.130 nan 8.250 nan 0.000 0.488 325 G N 1.839 110.524 108.800 -0.190 0.000 2.159 325 G HA2 -0.255 3.707 3.960 0.004 0.000 0.256 325 G HA3 -0.255 3.707 3.960 0.004 0.000 0.256 325 G C 0.015 174.684 174.900 -0.384 0.000 0.977 325 G CA 0.105 45.101 45.100 -0.173 0.000 0.652 325 G HN 0.480 nan 8.290 nan 0.000 0.531 326 I N -0.176 120.001 120.570 -0.656 0.000 2.498 326 I HA 0.635 4.807 4.170 0.004 0.000 0.290 326 I C -0.256 175.429 176.117 -0.720 0.000 1.032 326 I CA -1.261 59.744 61.300 -0.492 0.000 1.073 326 I CB 1.628 39.486 38.000 -0.238 0.000 1.251 326 I HN 0.029 nan 8.210 nan 0.000 0.426 327 Y N 3.603 123.994 120.300 0.152 0.000 2.634 327 Y HA 0.868 5.420 4.550 0.004 0.000 0.340 327 Y C 0.006 175.984 175.900 0.131 0.000 1.058 327 Y CA -1.133 57.053 58.100 0.144 0.000 1.081 327 Y CB 1.949 40.517 38.460 0.181 0.000 1.295 327 Y HN 0.581 nan 8.280 nan 0.000 0.487 328 A N 0.749 123.731 122.820 0.269 0.000 2.520 328 A HA 0.836 5.158 4.320 0.004 0.000 0.298 328 A C -1.465 176.225 177.584 0.176 0.000 1.051 328 A CA -0.557 51.594 52.037 0.190 0.000 0.690 328 A CB 1.262 20.344 19.000 0.137 0.000 1.281 328 A HN 1.161 nan 8.150 nan 0.000 0.402 329 V N -0.765 119.237 119.914 0.147 0.000 3.159 329 V HA 1.017 5.139 4.120 0.004 0.000 0.308 329 V C 0.485 176.644 176.094 0.108 0.000 1.190 329 V CA 0.230 62.611 62.300 0.135 0.000 1.037 329 V CB 0.938 32.839 31.823 0.130 0.000 1.060 329 V HN 2.974 nan 8.190 nan 0.000 0.437 330 G N 1.798 110.664 108.800 0.110 0.000 2.584 330 G HA2 -0.190 3.772 3.960 0.004 0.000 0.229 330 G HA3 -0.190 3.772 3.960 0.004 0.000 0.229 330 G C 0.002 174.957 174.900 0.091 0.000 1.320 330 G CA 0.628 45.782 45.100 0.090 0.000 0.891 330 G HN 1.073 nan 8.290 nan 0.000 0.573 331 D N -0.612 119.838 120.400 0.084 0.000 2.218 331 D HA -0.017 4.625 4.640 0.004 0.000 0.204 331 D C 2.460 178.840 176.300 0.133 0.000 0.976 331 D CA 1.243 55.302 54.000 0.098 0.000 0.853 331 D CB -0.167 40.688 40.800 0.091 0.000 0.939 331 D HN 0.489 nan 8.370 nan 0.000 0.481 332 V N -0.110 119.876 119.914 0.121 0.000 2.867 332 V HA -0.219 3.903 4.120 0.004 0.000 0.260 332 V C 1.696 177.909 176.094 0.199 0.000 1.099 332 V CA 1.307 63.696 62.300 0.148 0.000 1.122 332 V CB -0.235 31.651 31.823 0.105 0.000 0.708 332 V HN 0.325 nan 8.190 nan 0.000 0.490 333 C N 0.191 119.572 119.300 0.135 0.000 2.673 333 C HA 0.476 4.939 4.460 0.004 0.000 0.264 333 C C 2.006 176.935 174.990 -0.102 0.000 1.304 333 C CA 0.126 59.185 59.018 0.069 0.000 1.727 333 C CB -0.763 26.996 27.740 0.031 0.000 1.932 333 C HN 0.821 nan 8.230 nan 0.000 0.563 334 G N 1.246 109.981 108.800 -0.109 0.000 2.162 334 G HA2 -0.281 3.682 3.960 0.004 0.000 0.260 334 G HA3 -0.281 3.682 3.960 0.004 0.000 0.260 334 G C -0.022 174.727 174.900 -0.252 0.000 0.976 334 G CA 0.570 45.419 45.100 -0.417 0.000 0.655 334 G HN 0.603 nan 8.290 nan 0.000 0.533 335 K N 0.117 120.435 120.400 -0.136 0.000 2.358 335 K HA 0.628 4.950 4.320 0.004 0.000 0.260 335 K C 0.578 177.188 176.600 0.017 0.000 0.956 335 K CA -0.052 56.168 56.287 -0.112 0.000 0.834 335 K CB 1.069 33.429 32.500 -0.234 0.000 1.102 335 K HN 1.668 nan 8.250 nan 0.000 0.431 336 A N 4.446 127.289 122.820 0.038 0.000 2.237 336 A HA -0.130 4.192 4.320 0.004 0.000 0.281 336 A C -0.396 177.235 177.584 0.078 0.000 1.414 336 A CA 0.260 52.347 52.037 0.082 0.000 0.733 336 A CB -1.928 17.183 19.000 0.185 0.000 1.168 336 A HN 0.782 nan 8.150 nan 0.000 0.347 337 L N 1.613 122.876 121.223 0.067 0.000 2.384 337 L HA 0.440 4.783 4.340 0.004 0.000 0.258 337 L C 0.193 177.111 176.870 0.080 0.000 1.266 337 L CA 0.189 55.082 54.840 0.089 0.000 1.162 337 L CB -0.475 41.658 42.059 0.124 0.000 1.375 337 L HN 0.574 nan 8.230 nan 0.000 0.420 338 L N 0.076 121.329 121.223 0.050 0.000 2.393 338 L HA 0.387 4.729 4.340 0.004 0.000 0.260 338 L C 1.203 178.087 176.870 0.023 0.000 1.002 338 L CA -0.445 54.408 54.840 0.023 0.000 0.818 338 L CB 2.279 44.327 42.059 -0.018 0.000 1.369 338 L HN 0.076 nan 8.230 nan 0.000 0.412 339 T N 0.807 115.373 114.554 0.018 0.000 2.708 339 T HA -0.060 4.292 4.350 0.004 0.000 0.266 339 T C -1.165 173.532 174.700 -0.006 0.000 1.037 339 T CA 1.754 63.856 62.100 0.004 0.000 1.146 339 T CB -0.465 68.403 68.868 -0.001 0.000 0.865 339 T HN 0.450 nan 8.240 nan 0.000 0.435 340 P HA 0.045 nan 4.420 nan 0.000 0.223 340 P C 1.469 178.745 177.300 -0.039 0.000 1.151 340 P CA 0.440 63.528 63.100 -0.021 0.000 0.787 340 P CB -0.102 31.585 31.700 -0.023 0.000 0.788 341 V N 0.317 120.207 119.914 -0.040 0.000 2.307 341 V HA -0.217 3.905 4.120 0.004 0.000 0.245 341 V C 2.480 178.556 176.094 -0.029 0.000 1.045 341 V CA 2.179 64.438 62.300 -0.067 0.000 1.024 341 V CB -1.696 30.107 31.823 -0.032 0.000 0.651 341 V HN 0.090 nan 8.190 nan 0.000 0.449 342 A N 0.077 122.904 122.820 0.012 0.000 1.883 342 A HA -0.216 4.106 4.320 0.004 0.000 0.217 342 A C 2.197 179.789 177.584 0.015 0.000 1.186 342 A CA 2.153 54.207 52.037 0.029 0.000 0.624 342 A CB -0.601 18.415 19.000 0.026 0.000 0.822 342 A HN 0.506 nan 8.150 nan 0.000 0.444 343 I N -0.486 120.083 120.570 -0.002 0.000 2.142 343 I HA -0.288 3.885 4.170 0.004 0.000 0.240 343 I C 3.004 179.123 176.117 0.003 0.000 1.078 343 I CA 1.192 62.493 61.300 0.001 0.000 1.343 343 I CB -0.403 37.596 38.000 -0.003 0.000 1.046 343 I HN 0.375 nan 8.210 nan 0.000 0.405 344 A N 0.636 123.443 122.820 -0.023 0.000 1.898 344 A HA -0.113 4.209 4.320 0.004 0.000 0.216 344 A C 2.534 180.101 177.584 -0.028 0.000 1.181 344 A CA 1.711 53.727 52.037 -0.036 0.000 0.620 344 A CB -0.836 18.114 19.000 -0.084 0.000 0.819 344 A HN 0.431 nan 8.150 nan 0.000 0.442 345 A N -0.424 122.374 122.820 -0.036 0.000 1.902 345 A HA 0.102 4.424 4.320 0.004 0.000 0.217 345 A C 2.392 180.010 177.584 0.057 0.000 1.181 345 A CA 1.965 54.010 52.037 0.013 0.000 0.623 345 A CB -1.354 17.688 19.000 0.069 0.000 0.818 345 A HN 0.719 nan 8.150 nan 0.000 0.443 346 G N -0.711 108.125 108.800 0.059 0.000 2.402 346 G HA2 -0.199 3.763 3.960 0.004 0.000 0.216 346 G HA3 -0.199 3.763 3.960 0.004 0.000 0.216 346 G C 1.785 176.731 174.900 0.076 0.000 1.162 346 G CA 0.869 46.017 45.100 0.080 0.000 0.777 346 G HN 0.565 nan 8.290 nan 0.000 0.539 347 R N 0.022 120.562 120.500 0.066 0.000 2.075 347 R HA 0.045 4.387 4.340 0.004 0.000 0.232 347 R C 2.597 178.985 176.300 0.147 0.000 1.126 347 R CA 0.973 57.129 56.100 0.092 0.000 0.963 347 R CB -0.140 30.223 30.300 0.104 0.000 0.858 347 R HN 0.092 nan 8.270 nan 0.000 0.435 348 K N 0.811 121.276 120.400 0.108 0.000 2.097 348 K HA -0.147 4.175 4.320 0.004 0.000 0.206 348 K C 2.052 178.698 176.600 0.076 0.000 1.049 348 K CA 0.900 57.251 56.287 0.107 0.000 0.933 348 K CB -0.372 32.159 32.500 0.052 0.000 0.717 348 K HN 0.100 nan 8.250 nan 0.000 0.442 349 L N 1.027 122.269 121.223 0.032 0.000 2.017 349 L HA -0.095 4.247 4.340 0.004 0.000 0.208 349 L C 2.188 178.947 176.870 -0.186 0.000 1.073 349 L CA 1.978 56.779 54.840 -0.065 0.000 0.745 349 L CB -0.795 41.240 42.059 -0.040 0.000 0.894 349 L HN 0.124 nan 8.230 nan 0.000 0.432 350 A N -1.363 121.390 122.820 -0.111 0.000 1.908 350 A HA -0.253 4.069 4.320 0.004 0.000 0.218 350 A C 2.226 179.666 177.584 -0.240 0.000 1.181 350 A CA 1.815 53.755 52.037 -0.162 0.000 0.627 350 A CB -1.006 17.931 19.000 -0.106 0.000 0.818 350 A HN 0.694 nan 8.150 nan 0.000 0.445 351 H N -1.058 117.948 119.070 -0.107 0.000 2.389 351 H HA -0.086 4.472 4.556 0.004 0.000 0.299 351 H C 2.312 177.515 175.328 -0.208 0.000 1.081 351 H CA 1.681 57.656 56.048 -0.121 0.000 1.345 351 H CB -0.127 29.597 29.762 -0.063 0.000 1.393 351 H HN 0.559 nan 8.280 nan 0.000 0.520 352 R N 0.852 121.286 120.500 -0.110 0.000 2.073 352 R HA -0.095 4.247 4.340 0.004 0.000 0.234 352 R C 2.376 178.413 176.300 -0.439 0.000 1.134 352 R CA 1.114 57.094 56.100 -0.201 0.000 0.952 352 R CB -0.130 30.079 30.300 -0.153 0.000 0.850 352 R HN 0.205 nan 8.270 nan 0.000 0.433 353 L N -0.971 119.819 121.223 -0.722 0.000 2.131 353 L HA -0.023 4.319 4.340 0.004 0.000 0.206 353 L C 1.361 177.332 176.870 -1.498 0.000 1.087 353 L CA 0.892 54.986 54.840 -1.244 0.000 0.767 353 L CB -0.048 40.873 42.059 -1.897 0.000 0.917 353 L HN 0.189 nan 8.230 nan 0.000 0.441 354 F N -1.641 117.881 119.950 -0.714 0.000 2.728 354 F HA 0.151 4.681 4.527 0.004 0.000 0.314 354 F C 2.014 177.403 175.800 -0.684 0.000 1.094 354 F CA -0.104 57.469 58.000 -0.711 0.000 1.217 354 F CB 0.230 38.938 39.000 -0.487 0.000 1.056 354 F HN -0.065 nan 8.300 nan 0.000 0.577 355 E N -1.080 118.851 120.200 -0.449 0.000 2.526 355 E HA 0.041 4.394 4.350 0.004 0.000 0.208 355 E C -0.322 176.196 176.600 -0.138 0.000 0.997 355 E CA 0.045 56.330 56.400 -0.191 0.000 0.961 355 E CB 0.314 30.045 29.700 0.050 0.000 1.030 355 E HN 0.314 nan 8.360 nan 0.000 0.483 356 Y N -0.613 119.648 120.300 -0.065 0.000 4.272 356 Y HA -0.237 4.316 4.550 0.004 0.000 0.232 356 Y C -0.378 175.490 175.900 -0.053 0.000 1.149 356 Y CA 0.374 58.429 58.100 -0.075 0.000 1.961 356 Y CB -1.805 36.628 38.460 -0.045 0.000 1.611 356 Y HN -0.044 nan 8.280 nan 0.000 0.682 357 K N 2.483 122.887 120.400 0.007 0.000 2.183 357 K HA 0.099 4.422 4.320 0.004 0.000 0.272 357 K C 1.132 177.727 176.600 -0.007 0.000 1.113 357 K CA 0.082 56.382 56.287 0.021 0.000 0.949 357 K CB 0.689 33.207 32.500 0.029 0.000 1.365 357 K HN 0.509 nan 8.250 nan 0.000 0.420 358 E N 1.776 121.965 120.200 -0.018 0.000 2.268 358 E HA -0.200 4.152 4.350 0.004 0.000 0.195 358 E C 0.432 176.997 176.600 -0.059 0.000 0.995 358 E CA 1.232 57.575 56.400 -0.095 0.000 0.836 358 E CB 0.049 29.695 29.700 -0.091 0.000 0.763 358 E HN 0.496 nan 8.360 nan 0.000 0.491 359 D N 0.673 121.117 120.400 0.072 0.000 2.340 359 D HA -0.001 4.641 4.640 0.004 0.000 0.217 359 D C 0.097 176.548 176.300 0.252 0.000 1.081 359 D CA -0.262 53.869 54.000 0.219 0.000 0.842 359 D CB -0.042 40.840 40.800 0.136 0.000 0.934 359 D HN -0.034 nan 8.370 nan 0.000 0.511 360 S N 0.497 116.305 115.700 0.180 0.000 2.465 360 S HA 0.350 4.823 4.470 0.004 0.000 0.280 360 S C -0.193 174.530 174.600 0.205 0.000 1.232 360 S CA -0.507 57.772 58.200 0.132 0.000 1.066 360 S CB -0.137 63.110 63.200 0.078 0.000 0.929 360 S HN 0.452 nan 8.310 nan 0.000 0.494 361 K N 3.115 123.584 120.400 0.114 0.000 2.607 361 K HA 0.488 4.811 4.320 0.004 0.000 0.287 361 K C -1.767 174.822 176.600 -0.017 0.000 0.996 361 K CA -1.153 55.165 56.287 0.052 0.000 0.876 361 K CB 0.505 32.940 32.500 -0.109 0.000 1.496 361 K HN 0.401 nan 8.250 nan 0.000 0.415 362 L N 1.897 123.097 121.223 -0.040 0.000 2.305 362 L HA 0.318 4.660 4.340 0.004 0.000 0.281 362 L C -0.706 176.084 176.870 -0.134 0.000 1.085 362 L CA 0.308 55.054 54.840 -0.155 0.000 0.813 362 L CB 0.987 42.833 42.059 -0.355 0.000 1.157 362 L HN 0.721 nan 8.230 nan 0.000 0.436 363 D N 3.342 123.663 120.400 -0.132 0.000 2.339 363 D HA 0.017 4.660 4.640 0.004 0.000 0.256 363 D C 0.088 176.317 176.300 -0.119 0.000 1.214 363 D CA 0.311 54.275 54.000 -0.061 0.000 0.877 363 D CB 0.482 41.254 40.800 -0.046 0.000 1.111 363 D HN 0.513 nan 8.370 nan 0.000 0.478 364 Y N 2.057 122.327 120.300 -0.050 0.000 2.490 364 Y HA 0.114 4.666 4.550 0.004 0.000 0.281 364 Y C 0.804 176.679 175.900 -0.042 0.000 1.174 364 Y CA -0.243 57.830 58.100 -0.046 0.000 1.295 364 Y CB 0.079 38.509 38.460 -0.051 0.000 1.062 364 Y HN 0.266 nan 8.280 nan 0.000 0.522 365 N N 0.810 119.553 118.700 0.071 0.000 2.513 365 N HA 0.028 4.770 4.740 0.004 0.000 0.274 365 N C -0.023 175.491 175.510 0.007 0.000 1.189 365 N CA 0.029 53.100 53.050 0.035 0.000 0.975 365 N CB 0.415 38.920 38.487 0.029 0.000 1.157 365 N HN 0.268 nan 8.380 nan 0.000 0.465 366 N N -0.488 118.215 118.700 0.005 0.000 2.747 366 N HA -0.190 4.553 4.740 0.004 0.000 0.249 366 N C -0.848 174.648 175.510 -0.022 0.000 1.107 366 N CA 0.147 53.194 53.050 -0.005 0.000 0.707 366 N CB -1.159 37.332 38.487 0.006 0.000 1.054 366 N HN 0.516 nan 8.380 nan 0.000 0.555 367 I N 1.644 122.194 120.570 -0.032 0.000 2.452 367 I HA 0.203 4.375 4.170 0.004 0.000 0.287 367 I C -1.579 174.507 176.117 -0.052 0.000 1.079 367 I CA -1.486 59.783 61.300 -0.050 0.000 1.387 367 I CB 0.430 38.397 38.000 -0.056 0.000 1.404 367 I HN -0.081 nan 8.210 nan 0.000 0.522 368 P HA 0.236 nan 4.420 nan 0.000 0.279 368 P C -0.592 176.666 177.300 -0.070 0.000 1.252 368 P CA -0.333 62.738 63.100 -0.050 0.000 0.811 368 P CB 1.802 33.485 31.700 -0.028 0.000 1.035 369 T N 0.214 114.720 114.554 -0.080 0.000 2.982 369 T HA 0.397 4.750 4.350 0.004 0.000 0.321 369 T C -1.463 173.166 174.700 -0.118 0.000 1.229 369 T CA -0.432 61.602 62.100 -0.109 0.000 1.044 369 T CB 0.975 69.761 68.868 -0.136 0.000 1.184 369 T HN 0.074 nan 8.240 nan 0.000 0.477 370 V N 4.362 124.147 119.914 -0.215 0.000 2.513 370 V HA 0.631 4.753 4.120 0.004 0.000 0.299 370 V C -0.228 175.579 176.094 -0.479 0.000 1.035 370 V CA -0.624 61.442 62.300 -0.391 0.000 0.889 370 V CB 1.886 33.340 31.823 -0.616 0.000 0.988 370 V HN 0.767 nan 8.190 nan 0.000 0.440 371 V N 5.048 124.705 119.914 -0.429 0.000 2.398 371 V HA 0.397 4.520 4.120 0.004 0.000 0.286 371 V C -0.327 175.458 176.094 -0.515 0.000 1.026 371 V CA -0.394 61.710 62.300 -0.328 0.000 0.868 371 V CB 1.393 33.110 31.823 -0.177 0.000 0.982 371 V HN 0.730 nan 8.190 nan 0.000 0.443 372 F N 3.134 122.895 119.950 -0.315 0.000 2.669 372 F HA 0.290 4.819 4.527 0.004 0.000 0.353 372 F C 1.275 176.873 175.800 -0.336 0.000 1.192 372 F CA 0.387 57.979 58.000 -0.679 0.000 1.317 372 F CB 0.286 38.614 39.000 -1.119 0.000 1.652 372 F HN 0.524 nan 8.300 nan 0.000 0.608 373 S N 0.162 115.806 115.700 -0.092 0.000 2.632 373 S HA 0.302 4.774 4.470 0.004 0.000 0.267 373 S C -0.155 174.391 174.600 -0.089 0.000 1.193 373 S CA -0.412 57.776 58.200 -0.021 0.000 1.003 373 S CB 0.434 63.630 63.200 -0.007 0.000 1.073 373 S HN 0.392 nan 8.310 nan 0.000 0.553 374 H N 1.623 120.828 119.070 0.225 0.000 2.866 374 H HA 0.362 4.920 4.556 0.004 0.000 0.287 374 H C -2.434 172.954 175.328 0.099 0.000 1.106 374 H CA -1.538 54.616 56.048 0.176 0.000 1.396 374 H CB 0.853 30.665 29.762 0.084 0.000 1.469 374 H HN 0.452 nan 8.280 nan 0.000 0.500 375 P HA 0.174 nan 4.420 nan 0.000 0.276 375 P C -2.673 174.685 177.300 0.098 0.000 1.261 375 P CA -1.748 61.446 63.100 0.156 0.000 0.800 375 P CB 0.533 32.303 31.700 0.116 0.000 1.066 376 P HA 0.254 nan 4.420 nan 0.000 0.274 376 P C -0.354 176.885 177.300 -0.101 0.000 1.237 376 P CA 0.172 63.229 63.100 -0.071 0.000 0.793 376 P CB 0.597 32.206 31.700 -0.151 0.000 0.977 377 I N 0.370 120.832 120.570 -0.179 0.000 2.441 377 I HA 0.554 4.726 4.170 0.004 0.000 0.295 377 I C 0.770 176.810 176.117 -0.127 0.000 0.994 377 I CA -0.376 60.855 61.300 -0.115 0.000 1.144 377 I CB 1.968 39.899 38.000 -0.115 0.000 1.314 377 I HN 0.342 nan 8.210 nan 0.000 0.445 378 G N 2.462 111.235 108.800 -0.045 0.000 2.566 378 G HA2 0.630 4.593 3.960 0.004 0.000 0.311 378 G HA3 0.630 4.593 3.960 0.004 0.000 0.311 378 G C -1.240 173.680 174.900 0.033 0.000 1.322 378 G CA -0.375 44.705 45.100 -0.033 0.000 0.969 378 G HN 0.465 nan 8.290 nan 0.000 0.490 379 T N -0.343 114.230 114.554 0.032 0.000 2.956 379 T HA 0.633 4.986 4.350 0.004 0.000 0.312 379 T C -1.620 173.051 174.700 -0.048 0.000 1.151 379 T CA -0.467 61.652 62.100 0.032 0.000 1.024 379 T CB 1.885 70.873 68.868 0.200 0.000 1.140 379 T HN 1.057 nan 8.240 nan 0.000 0.473 380 V N 4.018 123.858 119.914 -0.123 0.000 2.932 380 V HA 0.853 4.975 4.120 0.004 0.000 0.307 380 V C 0.440 176.470 176.094 -0.107 0.000 1.147 380 V CA 1.068 63.317 62.300 -0.085 0.000 0.951 380 V CB 1.197 32.996 31.823 -0.039 0.000 1.031 380 V HN 1.748 nan 8.190 nan 0.000 0.426 381 G N 4.523 113.301 108.800 -0.037 0.000 2.593 381 G HA2 -0.159 3.803 3.960 0.004 0.000 0.237 381 G HA3 -0.159 3.803 3.960 0.004 0.000 0.237 381 G C -0.667 174.274 174.900 0.069 0.000 1.312 381 G CA -0.122 44.981 45.100 0.004 0.000 0.896 381 G HN 1.179 nan 8.290 nan 0.000 0.574 382 L N 1.649 122.937 121.223 0.108 0.000 2.371 382 L HA 0.473 4.815 4.340 0.004 0.000 0.272 382 L C 1.797 178.820 176.870 0.255 0.000 1.124 382 L CA -0.109 54.817 54.840 0.143 0.000 0.816 382 L CB 1.118 43.262 42.059 0.142 0.000 1.129 382 L HN 1.049 nan 8.230 nan 0.000 0.448 383 T N -1.974 112.648 114.554 0.112 0.000 2.802 383 T HA -0.022 4.330 4.350 0.004 0.000 0.305 383 T C 1.004 175.725 174.700 0.035 0.000 1.053 383 T CA -0.329 61.740 62.100 -0.051 0.000 1.058 383 T CB 1.068 69.852 68.868 -0.141 0.000 0.988 383 T HN 0.785 nan 8.240 nan 0.000 0.539 384 E N 0.509 120.701 120.200 -0.014 0.000 2.097 384 E HA -0.242 4.110 4.350 0.004 0.000 0.196 384 E C 1.345 177.966 176.600 0.034 0.000 1.000 384 E CA 1.784 58.201 56.400 0.027 0.000 0.804 384 E CB -0.135 29.566 29.700 0.002 0.000 0.740 384 E HN 0.725 nan 8.360 nan 0.000 0.454 385 D N 0.254 120.659 120.400 0.007 0.000 2.144 385 D HA -0.132 4.511 4.640 0.004 0.000 0.200 385 D C 1.744 178.075 176.300 0.052 0.000 0.978 385 D CA 0.926 54.939 54.000 0.021 0.000 0.833 385 D CB -0.167 40.629 40.800 -0.007 0.000 0.961 385 D HN 0.347 nan 8.370 nan 0.000 0.470 386 E N 0.625 120.852 120.200 0.044 0.000 2.110 386 E HA -0.112 4.241 4.350 0.004 0.000 0.193 386 E C 2.069 178.737 176.600 0.114 0.000 0.988 386 E CA 0.978 57.421 56.400 0.072 0.000 0.804 386 E CB -0.000 29.726 29.700 0.044 0.000 0.745 386 E HN 0.186 nan 8.360 nan 0.000 0.458 387 A N 1.006 123.907 122.820 0.136 0.000 1.898 387 A HA -0.145 4.177 4.320 0.004 0.000 0.216 387 A C 2.153 179.864 177.584 0.212 0.000 1.181 387 A CA 0.929 53.104 52.037 0.230 0.000 0.620 387 A CB -0.499 18.635 19.000 0.224 0.000 0.819 387 A HN 0.132 nan 8.150 nan 0.000 0.442 388 I N -1.203 119.450 120.570 0.138 0.000 2.226 388 I HA -0.288 3.885 4.170 0.004 0.000 0.245 388 I C 2.514 178.692 176.117 0.102 0.000 1.100 388 I CA 1.868 63.234 61.300 0.110 0.000 1.374 388 I CB -0.445 37.600 38.000 0.075 0.000 1.057 388 I HN 0.566 nan 8.210 nan 0.000 0.413 389 H N 1.248 120.324 119.070 0.009 0.000 2.353 389 H HA -0.214 4.345 4.556 0.004 0.000 0.300 389 H C 2.227 177.520 175.328 -0.058 0.000 1.090 389 H CA 2.101 58.136 56.048 -0.021 0.000 1.327 389 H CB 0.024 29.768 29.762 -0.029 0.000 1.383 389 H HN 0.138 nan 8.280 nan 0.000 0.508 390 K N -1.001 119.286 120.400 -0.187 0.000 2.031 390 K HA -0.130 4.193 4.320 0.004 0.000 0.205 390 K C 1.290 177.619 176.600 -0.450 0.000 1.049 390 K CA 1.609 57.651 56.287 -0.408 0.000 0.939 390 K CB -0.085 32.109 32.500 -0.510 0.000 0.717 390 K HN 0.387 nan 8.250 nan 0.000 0.438 391 Y N -0.499 119.764 120.300 -0.062 0.000 2.481 391 Y HA 0.270 4.822 4.550 0.004 0.000 0.258 391 Y C 0.607 176.480 175.900 -0.045 0.000 1.103 391 Y CA 0.145 58.217 58.100 -0.046 0.000 1.287 391 Y CB 1.352 39.799 38.460 -0.022 0.000 1.108 391 Y HN 0.266 nan 8.280 nan 0.000 0.529 392 G N 0.817 109.662 108.800 0.075 0.000 2.788 392 G HA2 -0.226 3.736 3.960 0.004 0.000 0.686 392 G HA3 -0.226 3.736 3.960 0.004 0.000 0.686 392 G C 0.305 175.240 174.900 0.057 0.000 1.147 392 G CA -0.222 44.904 45.100 0.043 0.000 0.755 392 G HN 0.322 nan 8.290 nan 0.000 0.634 393 I N 0.400 120.992 120.570 0.036 0.000 2.264 393 I HA -0.116 4.056 4.170 0.004 0.000 0.248 393 I C 2.164 178.291 176.117 0.015 0.000 1.111 393 I CA 1.834 63.150 61.300 0.027 0.000 1.382 393 I CB 0.069 38.081 38.000 0.019 0.000 1.060 393 I HN 0.631 nan 8.210 nan 0.000 0.418 394 E N 0.793 121.001 120.200 0.014 0.000 2.418 394 E HA -0.066 4.286 4.350 0.004 0.000 0.197 394 E C 0.789 177.390 176.600 0.001 0.000 1.026 394 E CA 0.497 56.900 56.400 0.004 0.000 0.862 394 E CB -0.313 29.389 29.700 0.004 0.000 0.799 394 E HN 0.623 nan 8.360 nan 0.000 0.518 395 N N 0.140 118.848 118.700 0.014 0.000 2.204 395 N HA 0.071 4.813 4.740 0.004 0.000 0.219 395 N C -0.483 175.009 175.510 -0.031 0.000 1.151 395 N CA 0.079 53.130 53.050 0.001 0.000 0.867 395 N CB 1.942 40.452 38.487 0.037 0.000 1.043 395 N HN -0.115 nan 8.380 nan 0.000 0.516 396 V N 0.983 120.886 119.914 -0.017 0.000 2.540 396 V HA 0.359 4.481 4.120 0.004 0.000 0.302 396 V C -0.142 175.919 176.094 -0.056 0.000 1.035 396 V CA -0.819 61.459 62.300 -0.035 0.000 0.873 396 V CB 2.757 34.590 31.823 0.016 0.000 0.992 396 V HN -0.048 nan 8.190 nan 0.000 0.428 397 K N 2.637 122.989 120.400 -0.080 0.000 2.397 397 K HA 0.725 5.047 4.320 0.004 0.000 0.253 397 K C -0.441 176.056 176.600 -0.171 0.000 0.932 397 K CA -0.368 55.828 56.287 -0.152 0.000 0.795 397 K CB 1.995 34.386 32.500 -0.183 0.000 1.159 397 K HN 0.884 nan 8.250 nan 0.000 0.424 398 T N 0.139 114.552 114.554 -0.236 0.000 2.888 398 T HA 0.496 4.848 4.350 0.004 0.000 0.284 398 T C -0.897 173.592 174.700 -0.352 0.000 1.017 398 T CA -0.564 61.440 62.100 -0.161 0.000 1.022 398 T CB 0.652 69.484 68.868 -0.060 0.000 1.013 398 T HN 0.384 nan 8.240 nan 0.000 0.465 399 Y N 0.892 121.175 120.300 -0.028 0.000 2.409 399 Y HA 0.651 5.204 4.550 0.004 0.000 0.343 399 Y C 0.554 176.451 175.900 -0.005 0.000 0.973 399 Y CA -0.632 57.455 58.100 -0.022 0.000 1.064 399 Y CB 2.517 40.952 38.460 -0.042 0.000 1.207 399 Y HN 1.115 nan 8.280 nan 0.000 0.452 400 S N 0.573 116.361 115.700 0.146 0.000 2.607 400 S HA 0.860 5.332 4.470 0.004 0.000 0.273 400 S C -1.027 173.644 174.600 0.118 0.000 1.148 400 S CA -0.768 57.498 58.200 0.111 0.000 0.833 400 S CB 2.361 65.606 63.200 0.074 0.000 1.130 400 S HN 0.634 nan 8.310 nan 0.000 0.470 401 T N 0.017 114.650 114.554 0.132 0.000 2.843 401 T HA 0.759 5.111 4.350 0.004 0.000 0.302 401 T C -1.685 173.126 174.700 0.185 0.000 1.232 401 T CA -0.360 61.842 62.100 0.170 0.000 1.009 401 T CB 1.790 70.782 68.868 0.207 0.000 1.254 401 T HN 1.061 nan 8.240 nan 0.000 0.504 402 S N 1.993 117.816 115.700 0.206 0.000 2.575 402 S HA 0.852 5.324 4.470 0.004 0.000 0.278 402 S C -1.539 173.213 174.600 0.254 0.000 1.139 402 S CA -0.690 57.596 58.200 0.145 0.000 0.954 402 S CB 0.302 63.544 63.200 0.069 0.000 1.054 402 S HN 0.686 nan 8.310 nan 0.000 0.483 403 F N 0.185 120.172 119.950 0.062 0.000 2.686 403 F HA 0.693 5.222 4.527 0.004 0.000 0.311 403 F C -0.768 175.085 175.800 0.089 0.000 1.128 403 F CA -0.916 57.127 58.000 0.071 0.000 0.946 403 F CB 0.978 40.024 39.000 0.076 0.000 1.336 403 F HN 0.275 nan 8.300 nan 0.000 0.457 404 T N 3.102 117.808 114.554 0.254 0.000 2.733 404 T HA 0.460 4.812 4.350 0.004 0.000 0.294 404 T C -2.641 172.280 174.700 0.369 0.000 0.956 404 T CA -1.082 61.135 62.100 0.195 0.000 0.987 404 T CB 0.824 69.792 68.868 0.168 0.000 0.920 404 T HN 0.327 nan 8.240 nan 0.000 0.470 405 P HA 0.084 nan 4.420 nan 0.000 0.267 405 P C 0.905 178.405 177.300 0.333 0.000 1.200 405 P CA -0.195 63.151 63.100 0.409 0.000 0.772 405 P CB 0.505 32.389 31.700 0.306 0.000 0.855 406 M N 2.750 122.514 119.600 0.273 0.000 2.460 406 M HA -0.179 4.304 4.480 0.004 0.000 0.263 406 M C 1.562 177.959 176.300 0.162 0.000 1.071 406 M CA 1.304 56.715 55.300 0.185 0.000 1.096 406 M CB -0.503 32.177 32.600 0.133 0.000 1.408 406 M HN 0.341 nan 8.290 nan 0.000 0.463 407 Y N 0.531 120.878 120.300 0.077 0.000 2.181 407 Y HA -0.326 4.227 4.550 0.004 0.000 0.284 407 Y C 1.790 177.721 175.900 0.051 0.000 1.179 407 Y CA 2.080 60.203 58.100 0.038 0.000 1.179 407 Y CB -0.434 37.951 38.460 -0.126 0.000 0.973 407 Y HN 0.361 nan 8.280 nan 0.000 0.519 408 H N -0.446 118.680 119.070 0.094 0.000 2.533 408 H HA 0.305 4.863 4.556 0.004 0.000 0.271 408 H C 2.123 177.428 175.328 -0.038 0.000 1.000 408 H CA 0.499 56.550 56.048 0.005 0.000 1.149 408 H CB -0.243 29.601 29.762 0.136 0.000 1.375 408 H HN 0.523 nan 8.280 nan 0.000 0.582 409 A N 1.013 123.865 122.820 0.054 0.000 2.024 409 A HA -0.115 4.207 4.320 0.004 0.000 0.220 409 A C 2.223 179.767 177.584 -0.067 0.000 1.164 409 A CA 1.855 53.900 52.037 0.013 0.000 0.643 409 A CB -0.428 18.582 19.000 0.018 0.000 0.806 409 A HN 0.301 nan 8.150 nan 0.000 0.451 410 V N -3.173 116.632 119.914 -0.183 0.000 3.528 410 V HA 0.258 4.380 4.120 0.004 0.000 0.294 410 V C 0.545 176.475 176.094 -0.274 0.000 1.404 410 V CA 0.588 62.718 62.300 -0.284 0.000 1.065 410 V CB -0.777 30.756 31.823 -0.483 0.000 0.904 410 V HN 0.510 nan 8.190 nan 0.000 0.435 411 T N -2.625 111.842 114.554 -0.145 0.000 2.925 411 T HA 0.497 4.849 4.350 0.004 0.000 0.285 411 T C 0.493 175.208 174.700 0.025 0.000 1.021 411 T CA -0.509 61.575 62.100 -0.026 0.000 1.042 411 T CB 2.290 71.237 68.868 0.133 0.000 1.037 411 T HN 0.207 nan 8.240 nan 0.000 0.481 412 K N 0.096 120.516 120.400 0.034 0.000 2.167 412 K HA 0.082 4.404 4.320 0.004 0.000 0.203 412 K C 1.334 177.947 176.600 0.022 0.000 1.052 412 K CA 0.304 56.604 56.287 0.021 0.000 0.956 412 K CB 0.122 32.633 32.500 0.018 0.000 0.735 412 K HN 0.495 nan 8.250 nan 0.000 0.451 413 R N 1.692 122.227 120.500 0.059 0.000 2.490 413 R HA 0.053 4.395 4.340 0.004 0.000 0.280 413 R C -0.710 175.533 176.300 -0.095 0.000 1.077 413 R CA 0.167 56.285 56.100 0.031 0.000 1.065 413 R CB 0.526 30.899 30.300 0.122 0.000 1.003 413 R HN -0.209 nan 8.270 nan 0.000 0.470 414 K N 2.077 122.336 120.400 -0.236 0.000 2.426 414 K HA 0.339 4.661 4.320 0.004 0.000 0.251 414 K C -0.826 175.500 176.600 -0.457 0.000 0.941 414 K CA -0.699 55.268 56.287 -0.534 0.000 0.808 414 K CB 2.236 34.594 32.500 -0.236 0.000 1.265 414 K HN 0.862 nan 8.250 nan 0.000 0.432 415 T N -1.987 112.222 114.554 -0.575 0.000 2.906 415 T HA 0.551 4.903 4.350 0.004 0.000 0.295 415 T C -0.455 174.219 174.700 -0.044 0.000 1.075 415 T CA -0.874 61.153 62.100 -0.122 0.000 1.005 415 T CB 2.522 71.451 68.868 0.101 0.000 1.136 415 T HN 0.441 nan 8.240 nan 0.000 0.498 416 K N -0.061 120.316 120.400 -0.039 0.000 2.185 416 K HA 0.697 5.020 4.320 0.004 0.000 0.240 416 K C -1.158 175.343 176.600 -0.165 0.000 0.983 416 K CA -0.923 55.310 56.287 -0.089 0.000 0.873 416 K CB 1.241 33.694 32.500 -0.078 0.000 1.118 416 K HN 0.898 nan 8.250 nan 0.000 0.441 417 C N 2.644 121.703 119.300 -0.402 0.000 2.379 417 C HA 0.643 5.105 4.460 0.004 0.000 0.323 417 C C -0.366 174.392 174.990 -0.388 0.000 1.262 417 C CA -1.127 57.588 59.018 -0.505 0.000 1.581 417 C CB -0.004 27.238 27.740 -0.831 0.000 2.221 417 C HN 0.536 nan 8.230 nan 0.000 0.497 418 V N 1.073 120.890 119.914 -0.162 0.000 2.680 418 V HA 0.850 4.972 4.120 0.004 0.000 0.309 418 V C -0.714 175.391 176.094 0.017 0.000 1.052 418 V CA -0.711 61.563 62.300 -0.042 0.000 0.908 418 V CB 1.642 33.456 31.823 -0.015 0.000 1.001 418 V HN 0.955 nan 8.190 nan 0.000 0.431 419 M N 3.893 123.537 119.600 0.074 0.000 2.446 419 M HA 0.617 5.100 4.480 0.004 0.000 0.294 419 M C -0.980 175.371 176.300 0.085 0.000 1.158 419 M CA -0.506 54.841 55.300 0.080 0.000 0.899 419 M CB 2.907 35.568 32.600 0.100 0.000 1.687 419 M HN 0.837 nan 8.290 nan 0.000 0.455 420 K N 3.364 123.815 120.400 0.085 0.000 2.507 420 K HA 0.651 4.973 4.320 0.004 0.000 0.251 420 K C -1.911 174.728 176.600 0.065 0.000 0.943 420 K CA -0.514 55.834 56.287 0.103 0.000 0.794 420 K CB 2.392 34.978 32.500 0.144 0.000 1.188 420 K HN 0.891 nan 8.250 nan 0.000 0.428 421 M N 5.348 124.976 119.600 0.048 0.000 2.227 421 M HA 0.329 4.811 4.480 0.004 0.000 0.335 421 M C -1.588 174.740 176.300 0.046 0.000 1.053 421 M CA -0.812 54.476 55.300 -0.020 0.000 0.973 421 M CB 1.537 34.079 32.600 -0.097 0.000 1.623 421 M HN 0.337 nan 8.290 nan 0.000 0.434 422 V N 5.072 124.997 119.914 0.017 0.000 2.370 422 V HA 0.426 4.548 4.120 0.004 0.000 0.283 422 V C -0.580 175.504 176.094 -0.016 0.000 1.023 422 V CA -0.583 61.739 62.300 0.036 0.000 0.857 422 V CB 1.065 32.946 31.823 0.096 0.000 0.985 422 V HN 0.973 nan 8.190 nan 0.000 0.443 423 C N 4.142 123.432 119.300 -0.017 0.000 2.456 423 C HA 0.928 5.390 4.460 0.004 0.000 0.325 423 C C 0.550 175.460 174.990 -0.133 0.000 1.217 423 C CA -0.675 58.306 59.018 -0.061 0.000 1.687 423 C CB 1.155 28.910 27.740 0.025 0.000 2.270 423 C HN 0.986 nan 8.230 nan 0.000 0.499 424 A N 3.425 126.096 122.820 -0.248 0.000 2.365 424 A HA 0.847 5.169 4.320 0.004 0.000 0.318 424 A C -0.240 177.156 177.584 -0.313 0.000 1.091 424 A CA -0.293 51.478 52.037 -0.443 0.000 0.763 424 A CB 0.379 18.703 19.000 -1.126 0.000 1.248 424 A HN 1.149 nan 8.150 nan 0.000 0.442 425 N N -0.274 118.284 118.700 -0.238 0.000 6.799 425 N HA -0.221 4.522 4.740 0.004 0.000 0.418 425 N C 0.829 176.296 175.510 -0.072 0.000 0.942 425 N CA 0.928 53.904 53.050 -0.124 0.000 1.476 425 N CB -0.147 38.268 38.487 -0.120 0.000 0.802 425 N HN 0.885 nan 8.380 nan 0.000 0.350 426 K N 1.457 121.832 120.400 -0.041 0.000 2.147 426 K HA -0.183 4.140 4.320 0.004 0.000 0.205 426 K C 1.507 178.095 176.600 -0.019 0.000 1.049 426 K CA 2.014 58.287 56.287 -0.022 0.000 0.936 426 K CB -0.120 32.373 32.500 -0.012 0.000 0.722 426 K HN 0.631 nan 8.250 nan 0.000 0.446 427 E N 0.758 120.941 120.200 -0.028 0.000 2.482 427 E HA -0.104 4.249 4.350 0.004 0.000 0.196 427 E C -0.612 175.969 176.600 -0.032 0.000 1.047 427 E CA 0.391 56.777 56.400 -0.023 0.000 0.869 427 E CB -0.218 29.470 29.700 -0.020 0.000 0.836 427 E HN 0.283 nan 8.360 nan 0.000 0.520 428 E N 1.189 121.361 120.200 -0.045 0.000 2.252 428 E HA -0.229 4.123 4.350 0.004 0.000 0.218 428 E C -0.568 175.988 176.600 -0.075 0.000 1.253 428 E CA 0.475 56.846 56.400 -0.047 0.000 0.705 428 E CB -1.188 28.513 29.700 0.002 0.000 1.172 428 E HN 0.358 nan 8.360 nan 0.000 0.369 429 K N 0.958 121.301 120.400 -0.095 0.000 2.472 429 K HA 0.081 4.404 4.320 0.004 0.000 0.280 429 K C -0.045 176.490 176.600 -0.108 0.000 1.028 429 K CA -0.068 56.167 56.287 -0.087 0.000 1.045 429 K CB 0.655 33.098 32.500 -0.095 0.000 0.902 429 K HN -0.004 nan 8.250 nan 0.000 0.478 430 V N 7.011 126.867 119.914 -0.097 0.000 2.387 430 V HA -0.023 4.099 4.120 0.004 0.000 0.260 430 V C 1.044 177.102 176.094 -0.061 0.000 1.054 430 V CA -0.069 62.148 62.300 -0.137 0.000 0.967 430 V CB 0.628 32.290 31.823 -0.268 0.000 1.036 430 V HN 0.772 nan 8.190 nan 0.000 0.481 431 V N 2.137 122.020 119.914 -0.052 0.000 3.660 431 V HA 0.645 4.767 4.120 0.004 0.000 0.276 431 V C 0.761 176.866 176.094 0.018 0.000 1.317 431 V CA 0.707 63.015 62.300 0.013 0.000 1.097 431 V CB 0.153 32.014 31.823 0.063 0.000 0.863 431 V HN 0.771 nan 8.190 nan 0.000 0.438 432 G N 0.059 108.839 108.800 -0.035 0.000 2.759 432 G HA2 0.711 4.673 3.960 0.004 0.000 0.297 432 G HA3 0.711 4.673 3.960 0.004 0.000 0.297 432 G C -1.639 173.082 174.900 -0.298 0.000 1.434 432 G CA -0.660 44.365 45.100 -0.125 0.000 0.980 432 G HN 0.170 nan 8.290 nan 0.000 0.531 433 I N 2.041 122.288 120.570 -0.539 0.000 2.533 433 I HA 0.447 4.619 4.170 0.004 0.000 0.290 433 I C -1.030 174.651 176.117 -0.726 0.000 1.056 433 I CA -0.899 60.122 61.300 -0.465 0.000 1.057 433 I CB 2.452 40.323 38.000 -0.216 0.000 1.240 433 I HN 0.413 nan 8.210 nan 0.000 0.423 434 H N 7.803 126.867 119.070 -0.010 0.000 2.782 434 H HA 0.696 5.255 4.556 0.004 0.000 0.347 434 H C -0.941 174.390 175.328 0.005 0.000 1.038 434 H CA -0.721 55.334 56.048 0.013 0.000 1.255 434 H CB 2.228 32.008 29.762 0.030 0.000 1.623 434 H HN 0.591 nan 8.280 nan 0.000 0.525 435 M N 1.033 120.691 119.600 0.097 0.000 2.578 435 M HA 0.502 4.985 4.480 0.004 0.000 0.276 435 M C -1.732 174.584 176.300 0.026 0.000 1.245 435 M CA -0.928 54.401 55.300 0.048 0.000 0.871 435 M CB 3.634 36.242 32.600 0.013 0.000 1.722 435 M HN 0.439 nan 8.290 nan 0.000 0.473 436 Q N 0.803 120.604 119.800 0.002 0.000 2.289 436 Q HA 0.809 5.151 4.340 0.004 0.000 0.270 436 Q C -1.303 174.678 176.000 -0.031 0.000 1.038 436 Q CA -0.261 55.532 55.803 -0.017 0.000 0.812 436 Q CB 2.793 31.517 28.738 -0.023 0.000 1.300 436 Q HN 1.219 nan 8.270 nan 0.000 0.427 437 G N 1.893 110.687 108.800 -0.009 0.000 2.328 437 G HA2 0.166 4.128 3.960 0.004 0.000 0.299 437 G HA3 0.166 4.128 3.960 0.004 0.000 0.299 437 G C -1.563 173.366 174.900 0.048 0.000 1.435 437 G CA -1.100 43.995 45.100 -0.008 0.000 0.865 437 G HN 0.619 nan 8.290 nan 0.000 0.601 438 L N 1.183 122.447 121.223 0.069 0.000 2.601 438 L HA 0.305 4.648 4.340 0.004 0.000 0.277 438 L C 1.799 178.726 176.870 0.095 0.000 1.219 438 L CA 1.854 56.743 54.840 0.082 0.000 0.915 438 L CB 0.430 42.517 42.059 0.047 0.000 1.160 438 L HN 1.980 nan 8.230 nan 0.000 0.494 439 G N 1.577 110.444 108.800 0.113 0.000 2.225 439 G HA2 -0.292 3.671 3.960 0.004 0.000 0.254 439 G HA3 -0.292 3.671 3.960 0.004 0.000 0.254 439 G C 0.865 175.825 174.900 0.101 0.000 0.988 439 G CA 0.197 45.366 45.100 0.114 0.000 0.625 439 G HN 0.712 nan 8.290 nan 0.000 0.527 440 C N 2.100 121.445 119.300 0.074 0.000 2.432 440 C HA 0.043 4.505 4.460 0.004 0.000 0.282 440 C C 2.746 177.733 174.990 -0.005 0.000 1.388 440 C CA 1.342 60.384 59.018 0.039 0.000 1.777 440 C CB -0.789 26.957 27.740 0.010 0.000 1.882 440 C HN 0.781 nan 8.230 nan 0.000 0.520 441 D N 1.133 121.514 120.400 -0.032 0.000 2.123 441 D HA -0.180 4.462 4.640 0.004 0.000 0.196 441 D C 1.518 177.821 176.300 0.005 0.000 0.992 441 D CA 1.459 55.400 54.000 -0.098 0.000 0.833 441 D CB -0.546 40.212 40.800 -0.070 0.000 0.954 441 D HN 0.447 nan 8.370 nan 0.000 0.455 442 E N -0.525 119.716 120.200 0.067 0.000 2.452 442 E HA 0.095 4.447 4.350 0.004 0.000 0.197 442 E C 1.960 178.605 176.600 0.075 0.000 1.022 442 E CA -0.145 56.300 56.400 0.075 0.000 0.890 442 E CB 0.147 29.901 29.700 0.090 0.000 0.918 442 E HN 0.408 nan 8.360 nan 0.000 0.496 443 M N 0.322 119.982 119.600 0.100 0.000 2.388 443 M HA -0.042 4.441 4.480 0.004 0.000 0.265 443 M C 1.915 178.352 176.300 0.229 0.000 1.088 443 M CA 0.598 55.999 55.300 0.167 0.000 1.134 443 M CB 0.199 32.918 32.600 0.199 0.000 1.384 443 M HN 0.092 nan 8.290 nan 0.000 0.447 444 L N 0.639 121.952 121.223 0.150 0.000 2.109 444 L HA -0.143 4.199 4.340 0.004 0.000 0.207 444 L C 2.271 179.222 176.870 0.135 0.000 1.086 444 L CA 1.806 56.745 54.840 0.165 0.000 0.760 444 L CB -0.746 41.345 42.059 0.052 0.000 0.910 444 L HN 0.339 nan 8.230 nan 0.000 0.437 445 Q N -0.273 119.562 119.800 0.058 0.000 2.077 445 Q HA -0.154 4.188 4.340 0.004 0.000 0.206 445 Q C 2.098 178.090 176.000 -0.014 0.000 0.989 445 Q CA 2.273 58.086 55.803 0.017 0.000 0.853 445 Q CB -0.886 27.852 28.738 0.000 0.000 0.907 445 Q HN 0.528 nan 8.270 nan 0.000 0.418 446 G N -1.233 107.522 108.800 -0.075 0.000 2.408 446 G HA2 -0.214 3.748 3.960 0.004 0.000 0.217 446 G HA3 -0.214 3.748 3.960 0.004 0.000 0.217 446 G C 1.072 175.831 174.900 -0.234 0.000 1.150 446 G CA 0.649 45.631 45.100 -0.197 0.000 0.776 446 G HN 0.415 nan 8.290 nan 0.000 0.542 447 F N 1.681 121.598 119.950 -0.055 0.000 2.171 447 F HA 0.027 4.556 4.527 0.004 0.000 0.300 447 F C 3.033 178.838 175.800 0.009 0.000 1.090 447 F CA 0.801 58.780 58.000 -0.034 0.000 1.293 447 F CB -0.077 38.946 39.000 0.037 0.000 1.013 447 F HN 0.233 nan 8.300 nan 0.000 0.486 448 A N -0.056 122.853 122.820 0.148 0.000 1.933 448 A HA -0.125 4.197 4.320 0.004 0.000 0.218 448 A C 2.315 179.923 177.584 0.040 0.000 1.175 448 A CA 1.775 53.858 52.037 0.078 0.000 0.628 448 A CB -1.169 17.854 19.000 0.037 0.000 0.814 448 A HN 0.177 nan 8.150 nan 0.000 0.444 449 V N -0.103 119.811 119.914 0.001 0.000 2.343 449 V HA -0.265 3.858 4.120 0.004 0.000 0.247 449 V C 3.050 179.140 176.094 -0.006 0.000 1.051 449 V CA 1.956 64.244 62.300 -0.020 0.000 1.036 449 V CB -1.293 30.496 31.823 -0.057 0.000 0.654 449 V HN 0.617 nan 8.190 nan 0.000 0.451 450 A N -0.200 122.614 122.820 -0.009 0.000 1.902 450 A HA -0.162 4.161 4.320 0.004 0.000 0.217 450 A C 2.406 180.061 177.584 0.118 0.000 1.181 450 A CA 2.117 54.170 52.037 0.028 0.000 0.623 450 A CB -0.717 18.264 19.000 -0.031 0.000 0.818 450 A HN 0.332 nan 8.150 nan 0.000 0.443 451 V N 0.185 120.193 119.914 0.156 0.000 2.295 451 V HA -0.263 3.860 4.120 0.004 0.000 0.246 451 V C 2.563 178.701 176.094 0.074 0.000 1.049 451 V CA 2.478 64.859 62.300 0.135 0.000 1.024 451 V CB -0.649 31.245 31.823 0.118 0.000 0.648 451 V HN 0.645 nan 8.190 nan 0.000 0.447 452 K N 0.006 120.434 120.400 0.047 0.000 2.152 452 K HA -0.114 4.209 4.320 0.004 0.000 0.206 452 K C 1.901 178.515 176.600 0.023 0.000 1.048 452 K CA 1.699 58.001 56.287 0.025 0.000 0.933 452 K CB -0.319 32.184 32.500 0.006 0.000 0.721 452 K HN 0.421 nan 8.250 nan 0.000 0.447 453 M N -1.011 118.605 119.600 0.027 0.000 2.619 453 M HA 0.102 4.584 4.480 0.004 0.000 0.251 453 M C 0.713 177.034 176.300 0.035 0.000 1.106 453 M CA 0.895 56.209 55.300 0.023 0.000 1.086 453 M CB 0.345 32.953 32.600 0.014 0.000 1.465 453 M HN 0.419 nan 8.290 nan 0.000 0.506 454 G N 1.103 109.933 108.800 0.049 0.000 2.171 454 G HA2 -0.162 3.800 3.960 0.004 0.000 0.238 454 G HA3 -0.162 3.800 3.960 0.004 0.000 0.238 454 G C 0.123 175.062 174.900 0.065 0.000 1.039 454 G CA -0.066 45.064 45.100 0.050 0.000 0.759 454 G HN 0.712 nan 8.290 nan 0.000 0.501 455 A N 0.119 123.005 122.820 0.111 0.000 2.520 455 A HA 0.621 4.943 4.320 0.004 0.000 0.235 455 A C 1.153 178.809 177.584 0.120 0.000 1.065 455 A CA 1.485 53.623 52.037 0.169 0.000 0.764 455 A CB 0.183 19.400 19.000 0.362 0.000 1.002 455 A HN 1.959 nan 8.150 nan 0.000 0.502 456 T N -0.718 113.898 114.554 0.104 0.000 2.937 456 T HA 0.477 4.830 4.350 0.004 0.000 0.283 456 T C 0.939 175.651 174.700 0.019 0.000 1.012 456 T CA -0.184 61.932 62.100 0.027 0.000 0.997 456 T CB 1.216 70.093 68.868 0.015 0.000 1.136 456 T HN 0.596 nan 8.240 nan 0.000 0.551 457 K N 0.828 121.172 120.400 -0.092 0.000 2.097 457 K HA 0.043 4.366 4.320 0.004 0.000 0.206 457 K C 2.298 178.887 176.600 -0.020 0.000 1.049 457 K CA 1.882 58.071 56.287 -0.164 0.000 0.933 457 K CB -1.162 31.199 32.500 -0.232 0.000 0.717 457 K HN 0.713 nan 8.250 nan 0.000 0.442 458 A N 1.100 123.922 122.820 0.003 0.000 1.940 458 A HA -0.197 4.125 4.320 0.004 0.000 0.219 458 A C 1.752 179.383 177.584 0.078 0.000 1.176 458 A CA 2.039 54.093 52.037 0.027 0.000 0.631 458 A CB -0.709 18.300 19.000 0.015 0.000 0.814 458 A HN 0.485 nan 8.150 nan 0.000 0.446 459 D N -0.935 119.541 120.400 0.125 0.000 2.144 459 D HA -0.115 4.527 4.640 0.004 0.000 0.199 459 D C 1.584 177.993 176.300 0.183 0.000 0.984 459 D CA 1.076 55.159 54.000 0.138 0.000 0.834 459 D CB -0.350 40.541 40.800 0.153 0.000 0.955 459 D HN 0.451 nan 8.370 nan 0.000 0.465 460 F N 1.718 121.671 119.950 0.005 0.000 2.113 460 F HA -0.111 4.419 4.527 0.004 0.000 0.297 460 F C 2.161 177.964 175.800 0.005 0.000 1.103 460 F CA 0.912 58.930 58.000 0.030 0.000 1.248 460 F CB -0.475 38.542 39.000 0.030 0.000 0.999 460 F HN -0.132 nan 8.300 nan 0.000 0.475 461 D N -0.498 120.006 120.400 0.175 0.000 2.269 461 D HA -0.105 4.538 4.640 0.004 0.000 0.208 461 D C 1.543 177.869 176.300 0.042 0.000 0.963 461 D CA 0.689 54.731 54.000 0.070 0.000 0.864 461 D CB -0.476 40.330 40.800 0.010 0.000 0.936 461 D HN 0.234 nan 8.370 nan 0.000 0.505 462 N N -0.020 118.705 118.700 0.042 0.000 2.515 462 N HA -0.033 4.710 4.740 0.004 0.000 0.185 462 N C -0.034 175.477 175.510 0.003 0.000 1.109 462 N CA 0.411 53.471 53.050 0.017 0.000 0.903 462 N CB 0.176 38.672 38.487 0.015 0.000 0.969 462 N HN 0.044 nan 8.380 nan 0.000 0.450 463 T N 1.096 115.651 114.554 0.002 0.000 2.767 463 T HA 0.296 4.648 4.350 0.004 0.000 0.288 463 T C 0.446 175.140 174.700 -0.010 0.000 0.963 463 T CA -0.513 61.571 62.100 -0.026 0.000 1.019 463 T CB 2.076 70.901 68.868 -0.071 0.000 0.923 463 T HN -0.256 nan 8.240 nan 0.000 0.468 464 V N 3.366 123.271 119.914 -0.015 0.000 2.655 464 V HA 0.342 4.464 4.120 0.004 0.000 0.300 464 V C 1.020 177.115 176.094 0.002 0.000 1.044 464 V CA -0.620 61.676 62.300 -0.006 0.000 1.095 464 V CB 0.303 32.121 31.823 -0.009 0.000 0.952 464 V HN 1.101 nan 8.190 nan 0.000 0.485 465 A N 6.180 129.009 122.820 0.016 0.000 2.406 465 A HA 0.566 4.888 4.320 0.004 0.000 0.243 465 A C -0.205 177.406 177.584 0.045 0.000 1.082 465 A CA -0.196 51.863 52.037 0.037 0.000 0.786 465 A CB 0.029 19.051 19.000 0.037 0.000 1.029 465 A HN 0.749 nan 8.150 nan 0.000 0.495 466 I N 1.026 121.636 120.570 0.066 0.000 2.362 466 I HA 0.314 4.487 4.170 0.004 0.000 0.289 466 I C -0.292 175.900 176.117 0.124 0.000 0.994 466 I CA -0.161 61.183 61.300 0.074 0.000 1.158 466 I CB 1.336 39.364 38.000 0.047 0.000 1.315 466 I HN 0.798 nan 8.210 nan 0.000 0.451 467 H N 7.219 126.297 119.070 0.013 0.000 2.572 467 H HA 0.619 5.178 4.556 0.004 0.000 0.359 467 H C -2.520 172.820 175.328 0.020 0.000 1.134 467 H CA -1.836 54.220 56.048 0.014 0.000 1.187 467 H CB 1.792 31.558 29.762 0.006 0.000 1.597 467 H HN 0.317 nan 8.280 nan 0.000 0.524 468 P HA 0.288 nan 4.420 nan 0.000 0.293 468 P C -1.227 175.983 177.300 -0.149 0.000 1.313 468 P CA -0.588 62.152 63.100 -0.600 0.000 0.787 468 P CB 1.216 32.501 31.700 -0.691 0.000 0.910 469 T N -2.028 112.512 114.554 -0.023 0.000 2.841 469 T HA 0.360 4.712 4.350 0.004 0.000 0.296 469 T C 0.822 175.584 174.700 0.102 0.000 1.166 469 T CA -0.546 61.587 62.100 0.054 0.000 1.007 469 T CB 1.169 70.081 68.868 0.073 0.000 1.253 469 T HN -0.023 nan 8.240 nan 0.000 0.511 470 S N 0.710 116.514 115.700 0.174 0.000 2.387 470 S HA -0.071 4.401 4.470 0.004 0.000 0.226 470 S C 2.338 177.072 174.600 0.224 0.000 1.026 470 S CA 1.384 59.754 58.200 0.284 0.000 0.972 470 S CB -0.588 62.836 63.200 0.374 0.000 0.814 470 S HN 0.952 nan 8.310 nan 0.000 0.477 471 S N 2.644 118.460 115.700 0.192 0.000 2.419 471 S HA -0.218 4.254 4.470 0.004 0.000 0.235 471 S C 1.721 176.443 174.600 0.205 0.000 1.019 471 S CA 1.324 59.659 58.200 0.224 0.000 0.982 471 S CB -0.670 62.673 63.200 0.239 0.000 0.789 471 S HN 0.806 nan 8.310 nan 0.000 0.490 472 E N 1.139 121.423 120.200 0.141 0.000 2.265 472 E HA -0.163 4.189 4.350 0.004 0.000 0.196 472 E C 1.538 178.183 176.600 0.075 0.000 0.996 472 E CA 1.040 57.507 56.400 0.112 0.000 0.832 472 E CB -0.349 29.406 29.700 0.092 0.000 0.756 472 E HN 0.448 nan 8.360 nan 0.000 0.491 473 E N 0.734 120.955 120.200 0.035 0.000 2.204 473 E HA -0.144 4.208 4.350 0.004 0.000 0.195 473 E C 1.894 178.522 176.600 0.047 0.000 0.990 473 E CA 0.543 56.937 56.400 -0.010 0.000 0.821 473 E CB -0.134 29.514 29.700 -0.087 0.000 0.750 473 E HN 0.292 nan 8.360 nan 0.000 0.477 474 L N 0.502 121.765 121.223 0.066 0.000 2.313 474 L HA -0.069 4.274 4.340 0.004 0.000 0.214 474 L C 2.009 178.986 176.870 0.177 0.000 1.119 474 L CA 0.892 55.753 54.840 0.035 0.000 0.809 474 L CB 0.021 41.940 42.059 -0.233 0.000 0.933 474 L HN 0.022 nan 8.230 nan 0.000 0.449 475 V N -5.111 114.921 119.914 0.197 0.000 3.542 475 V HA 0.207 4.329 4.120 0.004 0.000 0.296 475 V C 1.194 177.342 176.094 0.091 0.000 1.364 475 V CA 0.802 63.226 62.300 0.207 0.000 1.118 475 V CB -0.459 31.471 31.823 0.178 0.000 0.972 475 V HN 0.427 nan 8.190 nan 0.000 0.430 476 T N 0.368 114.949 114.554 0.045 0.000 3.337 476 T HA 0.431 4.783 4.350 0.004 0.000 0.299 476 T C 0.170 174.860 174.700 -0.017 0.000 0.998 476 T CA -0.301 61.800 62.100 0.003 0.000 0.948 476 T CB -0.487 68.378 68.868 -0.006 0.000 1.170 476 T HN 0.410 nan 8.240 nan 0.000 0.508 477 L N 2.349 123.552 121.223 -0.034 0.000 2.426 477 L HA 0.524 4.866 4.340 0.004 0.000 0.271 477 L C 0.827 177.647 176.870 -0.084 0.000 1.169 477 L CA -0.136 54.680 54.840 -0.039 0.000 0.836 477 L CB 0.563 42.584 42.059 -0.064 0.000 1.112 477 L HN 0.186 nan 8.230 nan 0.000 0.465 478 R N 0.000 120.522 120.500 0.037 0.000 2.786 478 R HA 0.000 4.342 4.340 0.004 0.000 0.208 478 R CA 0.000 56.151 56.100 0.084 0.000 0.921 478 R CB 0.000 30.329 30.300 0.049 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535