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 1jki_1_A DATA FIRST_RESID 9 DATA SEQUENCE ITSVKVVTDK CTYKDNELLT KYSYENAVVT KTASGRFDVT PTVQDYVFKL DATA SEQUENCE DLKKPEKLGI MLIGLGGNNG STLVASVLAN KHNVEFQTKE GVKQPNYFGS DATA SEQUENCE MTQCSTLKLG IDAEGNDVYA PFNSLLPMVS PNDFVVSGWD INNADLYEAM DATA SEQUENCE QRSQVLEYDL QQRLKAKMSL VKPLPSIYYP DFIAANQDER ANNCINLDEK DATA SEQUENCE GNVTTRGKWT HLQRIRRDIQ NFKEENALDK VIVLWTANTE RYVEVSPGVN DATA SEQUENCE DTMENLLQSI KNDHEEIAPS TIFAAASILE GVPYINGSPQ NTFVPGLVQL DATA SEQUENCE AEHEGTFIAG DDLKSGQTKL KSVLAQFLVD AGIKPVSIAS YNHLGNNDGY DATA SEQUENCE NLSAPKQFRS KEISKSSVID DIIASNDILY NDKLGKKVDH CIVIKYMKPV DATA SEQUENCE GDSKVAMDEY YSELMLGGHN RISIHNVCED SLLATPLIID LLVMTEFCTR DATA SEQUENCE VSYKKVDPVK EDAGKFENFY PVLTFLSYWL KAPLTRPGFH PVNGLNKQRT DATA SEQUENCE ALENFLRLLI GLPSQNELRF EERLL 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.123 176.117 0.009 0.000 1.063 9 I CA 0.000 61.306 61.300 0.010 0.000 1.566 9 I CB 0.000 38.004 38.000 0.007 0.000 1.214 10 T N 4.454 119.015 114.554 0.012 0.000 2.907 10 T HA 0.916 5.269 4.350 0.004 0.000 0.284 10 T C -0.168 174.537 174.700 0.008 0.000 1.004 10 T CA -0.526 61.581 62.100 0.012 0.000 1.063 10 T CB 1.475 70.354 68.868 0.019 0.000 0.992 10 T HN 0.753 nan 8.240 nan 0.000 0.483 11 S N 0.546 116.247 115.700 0.003 0.000 2.615 11 S HA 0.731 5.203 4.470 0.004 0.000 0.269 11 S C -1.402 173.194 174.600 -0.007 0.000 1.161 11 S CA -0.873 57.326 58.200 -0.002 0.000 0.817 11 S CB 1.581 64.779 63.200 -0.003 0.000 1.131 11 S HN 0.656 nan 8.310 nan 0.000 0.467 12 V N 0.747 120.655 119.914 -0.010 0.000 2.656 12 V HA 0.873 4.995 4.120 0.004 0.000 0.307 12 V C -1.540 174.547 176.094 -0.011 0.000 1.051 12 V CA -0.554 61.738 62.300 -0.014 0.000 0.893 12 V CB 1.923 33.731 31.823 -0.025 0.000 0.999 12 V HN 1.059 nan 8.190 nan 0.000 0.426 13 K N 5.078 125.469 120.400 -0.015 0.000 2.425 13 K HA 0.605 4.928 4.320 0.004 0.000 0.259 13 K C -1.468 175.129 176.600 -0.003 0.000 0.978 13 K CA -0.359 55.918 56.287 -0.017 0.000 0.883 13 K CB 1.511 33.990 32.500 -0.035 0.000 1.110 13 K HN 0.491 nan 8.250 nan 0.000 0.436 14 V N 5.393 125.318 119.914 0.017 0.000 2.333 14 V HA 0.227 4.350 4.120 0.004 0.000 0.274 14 V C -0.123 175.992 176.094 0.036 0.000 1.028 14 V CA -1.077 61.235 62.300 0.021 0.000 0.851 14 V CB 1.417 33.255 31.823 0.024 0.000 1.000 14 V HN 0.504 nan 8.190 nan 0.000 0.456 15 V N 5.671 125.599 119.914 0.023 0.000 2.420 15 V HA 0.254 4.377 4.120 0.004 0.000 0.274 15 V C 0.597 176.715 176.094 0.040 0.000 1.003 15 V CA 1.047 63.362 62.300 0.027 0.000 1.092 15 V CB 0.304 32.138 31.823 0.017 0.000 1.002 15 V HN 1.039 nan 8.190 nan 0.000 0.473 16 T N 2.182 116.769 114.554 0.056 0.000 2.886 16 T HA 0.330 4.682 4.350 0.004 0.000 0.330 16 T C 0.160 174.902 174.700 0.070 0.000 1.488 16 T CA -0.090 62.047 62.100 0.061 0.000 1.054 16 T CB 1.840 70.749 68.868 0.068 0.000 1.348 16 T HN 0.719 nan 8.240 nan 0.000 0.489 17 D N 1.307 121.746 120.400 0.065 0.000 2.350 17 D HA 0.145 4.788 4.640 0.004 0.000 0.213 17 D C 1.191 177.535 176.300 0.073 0.000 1.031 17 D CA 0.212 54.251 54.000 0.065 0.000 0.861 17 D CB 0.107 40.939 40.800 0.052 0.000 0.926 17 D HN 0.574 nan 8.370 nan 0.000 0.520 18 K N -0.559 119.890 120.400 0.082 0.000 2.504 18 K HA 0.107 4.430 4.320 0.004 0.000 0.195 18 K C -0.180 176.476 176.600 0.092 0.000 1.036 18 K CA 0.181 56.526 56.287 0.096 0.000 0.984 18 K CB 0.083 32.657 32.500 0.122 0.000 0.788 18 K HN 0.159 nan 8.250 nan 0.000 0.488 19 C N 1.844 121.194 119.300 0.082 0.000 2.340 19 C HA 0.372 4.835 4.460 0.004 0.000 0.323 19 C C 0.162 175.189 174.990 0.062 0.000 1.260 19 C CA -0.902 58.148 59.018 0.053 0.000 1.464 19 C CB 0.809 28.602 27.740 0.089 0.000 2.156 19 C HN 0.361 nan 8.230 nan 0.000 0.476 20 T N 0.572 115.107 114.554 -0.031 0.000 2.893 20 T HA 0.615 4.967 4.350 0.004 0.000 0.293 20 T C -1.123 173.470 174.700 -0.177 0.000 1.027 20 T CA -0.482 61.632 62.100 0.023 0.000 0.988 20 T CB 0.869 69.769 68.868 0.054 0.000 1.043 20 T HN 0.425 nan 8.240 nan 0.000 0.461 21 Y N 1.619 121.923 120.300 0.007 0.000 2.316 21 Y HA 0.614 5.167 4.550 0.004 0.000 0.331 21 Y C 0.799 176.697 175.900 -0.005 0.000 1.083 21 Y CA -0.448 57.650 58.100 -0.003 0.000 1.206 21 Y CB 1.120 39.577 38.460 -0.005 0.000 1.195 21 Y HN 0.624 nan 8.280 nan 0.000 0.497 22 K N 2.895 123.309 120.400 0.023 0.000 2.619 22 K HA 0.159 4.481 4.320 0.004 0.000 0.251 22 K C -1.501 175.099 176.600 -0.000 0.000 0.987 22 K CA -0.487 55.813 56.287 0.022 0.000 0.844 22 K CB 0.960 33.462 32.500 0.003 0.000 1.237 22 K HN 0.678 nan 8.250 nan 0.000 0.447 23 D N 2.861 123.271 120.400 0.018 0.000 2.689 23 D HA -0.200 4.442 4.640 0.004 0.000 0.237 23 D C -0.340 175.959 176.300 -0.002 0.000 1.148 23 D CA 1.464 55.467 54.000 0.004 0.000 0.656 23 D CB -0.985 39.808 40.800 -0.012 0.000 1.050 23 D HN 0.927 nan 8.370 nan 0.000 0.426 24 N N -0.372 118.343 118.700 0.025 0.000 2.754 24 N HA -0.222 4.520 4.740 0.004 0.000 0.248 24 N C -1.232 174.260 175.510 -0.030 0.000 1.093 24 N CA 1.550 54.613 53.050 0.022 0.000 0.699 24 N CB -0.190 38.301 38.487 0.005 0.000 1.016 24 N HN 0.567 nan 8.380 nan 0.000 0.552 25 E N -0.119 120.042 120.200 -0.065 0.000 2.275 25 E HA 0.327 4.680 4.350 0.004 0.000 0.270 25 E C -1.043 175.417 176.600 -0.234 0.000 0.882 25 E CA -0.976 55.337 56.400 -0.145 0.000 0.758 25 E CB 1.811 31.419 29.700 -0.154 0.000 1.195 25 E HN 0.171 nan 8.360 nan 0.000 0.419 26 L N 4.022 125.065 121.223 -0.301 0.000 2.289 26 L HA 0.438 4.780 4.340 0.004 0.000 0.285 26 L C -1.464 175.240 176.870 -0.276 0.000 1.049 26 L CA -0.243 54.323 54.840 -0.456 0.000 0.804 26 L CB 0.667 42.455 42.059 -0.452 0.000 1.195 26 L HN 0.482 nan 8.230 nan 0.000 0.428 27 L N 5.255 126.338 121.223 -0.234 0.000 2.325 27 L HA 0.612 4.955 4.340 0.004 0.000 0.281 27 L C -0.623 176.238 176.870 -0.015 0.000 1.004 27 L CA -0.282 54.513 54.840 -0.075 0.000 0.823 27 L CB 1.909 43.947 42.059 -0.035 0.000 1.236 27 L HN 0.629 nan 8.230 nan 0.000 0.415 28 T N 2.397 117.006 114.554 0.092 0.000 2.991 28 T HA 0.333 4.685 4.350 0.004 0.000 0.303 28 T C -0.638 174.207 174.700 0.241 0.000 1.015 28 T CA -0.843 61.340 62.100 0.137 0.000 1.007 28 T CB 1.764 70.703 68.868 0.118 0.000 1.034 28 T HN 0.352 nan 8.240 nan 0.000 0.446 29 K N 2.299 122.825 120.400 0.210 0.000 2.218 29 K HA 0.572 4.895 4.320 0.004 0.000 0.276 29 K C -1.121 175.702 176.600 0.372 0.000 1.022 29 K CA -0.748 55.684 56.287 0.241 0.000 0.946 29 K CB 0.934 33.526 32.500 0.153 0.000 1.000 29 K HN 0.619 nan 8.250 nan 0.000 0.468 30 Y N 0.073 120.542 120.300 0.280 0.000 2.482 30 Y HA 0.239 4.792 4.550 0.004 0.000 0.334 30 Y C -1.310 174.796 175.900 0.343 0.000 1.091 30 Y CA -0.737 57.557 58.100 0.324 0.000 1.027 30 Y CB 2.132 40.861 38.460 0.448 0.000 1.306 30 Y HN 0.560 nan 8.280 nan 0.000 0.446 31 S N 5.951 121.400 115.700 -0.419 0.000 2.448 31 S HA 0.291 4.763 4.470 0.004 0.000 0.320 31 S C -1.458 172.753 174.600 -0.648 0.000 1.071 31 S CA -0.384 57.608 58.200 -0.347 0.000 1.113 31 S CB -0.102 62.992 63.200 -0.176 0.000 0.972 31 S HN 0.635 nan 8.310 nan 0.000 0.465 32 Y N 4.556 124.678 120.300 -0.297 0.000 2.556 32 Y HA 0.297 4.849 4.550 0.004 0.000 0.352 32 Y C 0.296 176.216 175.900 0.034 0.000 1.006 32 Y CA -0.215 57.873 58.100 -0.020 0.000 1.277 32 Y CB 0.229 38.954 38.460 0.442 0.000 1.136 32 Y HN 0.590 nan 8.280 nan 0.000 0.523 33 E N 5.450 125.366 120.200 -0.473 0.000 2.130 33 E HA 0.106 4.459 4.350 0.004 0.000 0.284 33 E C -0.690 175.591 176.600 -0.531 0.000 1.018 33 E CA -0.354 55.809 56.400 -0.395 0.000 0.817 33 E CB 0.966 30.549 29.700 -0.196 0.000 1.078 33 E HN 0.680 nan 8.360 nan 0.000 0.396 34 N N 1.599 120.043 118.700 -0.427 0.000 3.512 34 N HA 0.725 5.468 4.740 0.004 0.000 0.360 34 N C -1.920 173.516 175.510 -0.123 0.000 1.593 34 N CA -0.646 52.241 53.050 -0.272 0.000 0.672 34 N CB 1.790 40.144 38.487 -0.222 0.000 2.105 34 N HN 0.406 nan 8.380 nan 0.000 0.645 35 A N -0.102 122.681 122.820 -0.063 0.000 2.560 35 A HA 0.507 4.829 4.320 0.004 0.000 0.300 35 A C -1.569 176.006 177.584 -0.014 0.000 1.062 35 A CA -0.508 51.508 52.037 -0.036 0.000 0.767 35 A CB 0.318 19.296 19.000 -0.035 0.000 1.288 35 A HN 0.252 nan 8.150 nan 0.000 0.396 36 V N 1.533 121.445 119.914 -0.004 0.000 2.716 36 V HA 0.727 4.850 4.120 0.004 0.000 0.304 36 V C -0.143 175.961 176.094 0.017 0.000 1.053 36 V CA -0.375 61.928 62.300 0.004 0.000 0.984 36 V CB 1.716 33.541 31.823 0.004 0.000 1.021 36 V HN 0.882 nan 8.190 nan 0.000 0.467 37 V N 2.165 122.098 119.914 0.031 0.000 2.808 37 V HA 0.721 4.843 4.120 0.004 0.000 0.308 37 V C -0.350 175.796 176.094 0.088 0.000 1.099 37 V CA -0.592 61.752 62.300 0.073 0.000 0.920 37 V CB 2.289 34.163 31.823 0.085 0.000 1.014 37 V HN 1.006 nan 8.190 nan 0.000 0.425 38 T N 0.312 114.929 114.554 0.105 0.000 2.893 38 T HA 0.640 4.993 4.350 0.004 0.000 0.293 38 T C -0.956 173.786 174.700 0.069 0.000 1.027 38 T CA -0.865 61.274 62.100 0.066 0.000 0.988 38 T CB 2.350 71.234 68.868 0.027 0.000 1.043 38 T HN 0.658 nan 8.240 nan 0.000 0.461 39 K N 1.731 122.131 120.400 -0.001 0.000 2.274 39 K HA 0.442 4.765 4.320 0.004 0.000 0.262 39 K C -0.613 175.871 176.600 -0.195 0.000 0.961 39 K CA -0.456 55.716 56.287 -0.193 0.000 0.833 39 K CB 1.304 33.562 32.500 -0.403 0.000 1.102 39 K HN 0.708 nan 8.250 nan 0.000 0.436 40 T N 3.074 117.500 114.554 -0.212 0.000 2.814 40 T HA 0.107 4.459 4.350 0.004 0.000 0.297 40 T C 1.443 176.048 174.700 -0.158 0.000 0.956 40 T CA 0.304 62.317 62.100 -0.144 0.000 1.123 40 T CB 1.289 70.097 68.868 -0.100 0.000 0.902 40 T HN 0.764 nan 8.240 nan 0.000 0.528 41 A N 3.966 126.722 122.820 -0.107 0.000 1.916 41 A HA -0.245 4.078 4.320 0.004 0.000 0.224 41 A C 2.393 179.922 177.584 -0.093 0.000 1.366 41 A CA 2.837 54.821 52.037 -0.087 0.000 0.692 41 A CB -1.433 17.533 19.000 -0.058 0.000 0.841 41 A HN 0.990 nan 8.150 nan 0.000 0.480 42 S N -1.391 114.260 115.700 -0.082 0.000 2.584 42 S HA 0.294 4.767 4.470 0.004 0.000 0.240 42 S C 1.426 175.964 174.600 -0.104 0.000 0.975 42 S CA 1.220 59.376 58.200 -0.074 0.000 0.949 42 S CB -0.873 62.295 63.200 -0.054 0.000 0.761 42 S HN 2.309 nan 8.310 nan 0.000 0.536 43 G N 1.217 109.914 108.800 -0.171 0.000 2.165 43 G HA2 -0.248 3.715 3.960 0.004 0.000 0.226 43 G HA3 -0.248 3.715 3.960 0.004 0.000 0.226 43 G C -0.133 174.575 174.900 -0.321 0.000 1.035 43 G CA -0.053 44.884 45.100 -0.273 0.000 0.744 43 G HN 0.727 nan 8.290 nan 0.000 0.501 44 R N -0.147 120.192 120.500 -0.268 0.000 2.265 44 R HA 0.625 4.967 4.340 0.004 0.000 0.319 44 R C -0.829 175.332 176.300 -0.233 0.000 1.006 44 R CA -0.703 55.300 56.100 -0.162 0.000 0.880 44 R CB 0.282 30.538 30.300 -0.073 0.000 1.077 44 R HN 0.019 nan 8.270 nan 0.000 0.454 45 F N 2.730 122.680 119.950 -0.001 0.000 2.410 45 F HA 0.255 4.784 4.527 0.004 0.000 0.349 45 F C 0.385 176.183 175.800 -0.002 0.000 1.117 45 F CA -0.404 57.595 58.000 -0.001 0.000 1.104 45 F CB 1.424 40.424 39.000 0.000 0.000 1.122 45 F HN 0.307 nan 8.300 nan 0.000 0.483 46 D N 3.190 123.683 120.400 0.156 0.000 2.280 46 D HA 0.354 4.996 4.640 0.004 0.000 0.236 46 D C -0.805 175.551 176.300 0.094 0.000 1.082 46 D CA -0.011 54.044 54.000 0.092 0.000 0.834 46 D CB 2.244 43.073 40.800 0.048 0.000 1.100 46 D HN 0.125 nan 8.370 nan 0.000 0.486 47 V N 2.796 122.752 119.914 0.071 0.000 2.350 47 V HA 0.323 4.446 4.120 0.004 0.000 0.285 47 V C 0.297 176.403 176.094 0.020 0.000 1.014 47 V CA -0.638 61.688 62.300 0.043 0.000 0.831 47 V CB 1.548 33.389 31.823 0.030 0.000 1.000 47 V HN 0.615 nan 8.190 nan 0.000 0.433 48 T N 3.871 118.432 114.554 0.012 0.000 2.788 48 T HA 0.597 4.949 4.350 0.004 0.000 0.296 48 T C -2.543 172.151 174.700 -0.010 0.000 1.009 48 T CA -2.278 59.823 62.100 0.002 0.000 0.949 48 T CB 1.560 70.431 68.868 0.004 0.000 0.946 48 T HN 0.353 nan 8.240 nan 0.000 0.453 49 P HA 0.322 nan 4.420 nan 0.000 0.269 49 P C -0.096 177.183 177.300 -0.034 0.000 1.211 49 P CA -0.073 63.008 63.100 -0.032 0.000 0.781 49 P CB 0.496 32.176 31.700 -0.034 0.000 0.877 50 T N 0.169 114.690 114.554 -0.055 0.000 2.865 50 T HA 0.654 5.006 4.350 0.004 0.000 0.294 50 T C -1.441 173.211 174.700 -0.080 0.000 1.119 50 T CA -0.548 61.524 62.100 -0.047 0.000 1.007 50 T CB 1.251 70.099 68.868 -0.033 0.000 1.225 50 T HN 0.266 nan 8.240 nan 0.000 0.515 51 V N 2.097 121.980 119.914 -0.051 0.000 2.966 51 V HA 0.733 4.856 4.120 0.004 0.000 0.288 51 V C -2.304 173.785 176.094 -0.008 0.000 1.380 51 V CA -0.461 61.807 62.300 -0.054 0.000 0.966 51 V CB 2.229 34.016 31.823 -0.061 0.000 1.115 51 V HN 0.864 nan 8.190 nan 0.000 0.436 52 Q N 3.723 123.544 119.800 0.035 0.000 2.263 52 Q HA 0.586 4.928 4.340 0.004 0.000 0.262 52 Q C -1.622 174.308 176.000 -0.116 0.000 0.984 52 Q CA -0.310 55.466 55.803 -0.046 0.000 0.813 52 Q CB 2.082 30.828 28.738 0.013 0.000 1.299 52 Q HN 0.824 nan 8.270 nan 0.000 0.428 53 D N 2.166 122.442 120.400 -0.207 0.000 2.294 53 D HA 0.480 5.122 4.640 0.004 0.000 0.250 53 D C -0.901 175.190 176.300 -0.349 0.000 1.058 53 D CA 0.348 54.266 54.000 -0.136 0.000 0.950 53 D CB 0.686 41.441 40.800 -0.075 0.000 1.158 53 D HN 0.431 nan 8.370 nan 0.000 0.453 54 Y N -0.813 119.516 120.300 0.049 0.000 2.534 54 Y HA 0.483 5.036 4.550 0.004 0.000 0.345 54 Y C -0.610 175.246 175.900 -0.072 0.000 1.031 54 Y CA -1.040 57.033 58.100 -0.044 0.000 1.022 54 Y CB 1.854 40.244 38.460 -0.117 0.000 1.292 54 Y HN 0.009 nan 8.280 nan 0.000 0.459 55 V N 3.523 123.443 119.914 0.010 0.000 2.448 55 V HA 0.425 4.547 4.120 0.004 0.000 0.295 55 V C -1.071 175.031 176.094 0.014 0.000 1.025 55 V CA -0.872 61.464 62.300 0.060 0.000 0.859 55 V CB 1.229 33.105 31.823 0.088 0.000 0.988 55 V HN 0.487 nan 8.190 nan 0.000 0.431 56 F N 3.571 123.725 119.950 0.340 0.000 2.443 56 F HA 0.592 5.122 4.527 0.005 0.000 0.335 56 F C 0.257 176.103 175.800 0.077 0.000 1.104 56 F CA -0.712 57.438 58.000 0.251 0.000 1.013 56 F CB 1.747 40.817 39.000 0.116 0.000 1.136 56 F HN 0.267 nan 8.300 nan 0.000 0.470 57 K N 4.308 124.744 120.400 0.060 0.000 2.394 57 K HA 0.471 4.794 4.320 0.004 0.000 0.260 57 K C -1.591 174.882 176.600 -0.210 0.000 0.967 57 K CA -0.493 55.626 56.287 -0.280 0.000 0.855 57 K CB 1.021 32.977 32.500 -0.908 0.000 1.101 57 K HN 0.691 nan 8.250 nan 0.000 0.433 58 L N 4.593 125.690 121.223 -0.209 0.000 2.277 58 L HA 0.265 4.607 4.340 0.004 0.000 0.284 58 L C -0.671 176.066 176.870 -0.222 0.000 1.028 58 L CA -0.602 54.094 54.840 -0.240 0.000 0.835 58 L CB 1.066 42.976 42.059 -0.248 0.000 1.215 58 L HN 0.772 nan 8.230 nan 0.000 0.425 59 D N 5.288 125.560 120.400 -0.213 0.000 2.349 59 D HA 0.004 4.646 4.640 0.004 0.000 0.266 59 D C 1.046 177.266 176.300 -0.133 0.000 1.293 59 D CA 0.055 53.958 54.000 -0.162 0.000 0.926 59 D CB 0.949 41.663 40.800 -0.144 0.000 1.090 59 D HN 0.560 nan 8.370 nan 0.000 0.502 60 L N 3.459 124.626 121.223 -0.093 0.000 2.610 60 L HA -0.066 4.276 4.340 0.004 0.000 0.232 60 L C 1.100 177.959 176.870 -0.018 0.000 1.149 60 L CA 0.334 55.147 54.840 -0.045 0.000 0.872 60 L CB -0.432 41.628 42.059 0.002 0.000 0.992 60 L HN 0.337 nan 8.230 nan 0.000 0.447 61 K N 1.856 122.239 120.400 -0.029 0.000 2.250 61 K HA 0.217 4.540 4.320 0.004 0.000 0.285 61 K C -0.154 176.442 176.600 -0.007 0.000 1.097 61 K CA -0.517 55.763 56.287 -0.012 0.000 0.913 61 K CB 0.404 32.894 32.500 -0.018 0.000 1.179 61 K HN 0.083 nan 8.250 nan 0.000 0.462 62 K N 3.260 123.667 120.400 0.012 0.000 2.218 62 K HA 0.292 4.614 4.320 0.004 0.000 0.276 62 K C -2.058 174.558 176.600 0.026 0.000 1.022 62 K CA -1.765 54.538 56.287 0.026 0.000 0.946 62 K CB 0.272 32.805 32.500 0.055 0.000 1.000 62 K HN 0.390 nan 8.250 nan 0.000 0.468 63 P HA -0.056 nan 4.420 nan 0.000 0.265 63 P C -0.336 176.986 177.300 0.037 0.000 1.187 63 P CA 0.235 63.351 63.100 0.027 0.000 0.766 63 P CB 0.800 32.518 31.700 0.031 0.000 0.820 64 E N 0.834 121.049 120.200 0.024 0.000 2.274 64 E HA -0.082 4.271 4.350 0.004 0.000 0.194 64 E C 0.074 176.698 176.600 0.040 0.000 0.996 64 E CA 1.073 57.488 56.400 0.026 0.000 0.840 64 E CB 0.160 29.868 29.700 0.013 0.000 0.772 64 E HN 0.265 nan 8.360 nan 0.000 0.491 65 K N 0.407 120.833 120.400 0.044 0.000 2.513 65 K HA 0.374 4.697 4.320 0.004 0.000 0.251 65 K C -1.391 175.253 176.600 0.075 0.000 0.939 65 K CA -0.437 55.888 56.287 0.063 0.000 0.793 65 K CB 1.792 34.309 32.500 0.027 0.000 1.241 65 K HN -0.039 nan 8.250 nan 0.000 0.431 66 L N 1.790 123.096 121.223 0.137 0.000 2.322 66 L HA 0.624 4.966 4.340 0.004 0.000 0.281 66 L C 0.096 176.998 176.870 0.052 0.000 1.014 66 L CA -0.673 54.221 54.840 0.090 0.000 0.815 66 L CB 1.742 43.873 42.059 0.120 0.000 1.247 66 L HN 0.710 nan 8.230 nan 0.000 0.421 67 G N 5.168 114.003 108.800 0.060 0.000 2.403 67 G HA2 0.501 4.464 3.960 0.004 0.000 0.259 67 G HA3 0.501 4.464 3.960 0.004 0.000 0.259 67 G C -0.801 174.125 174.900 0.044 0.000 1.244 67 G CA -0.295 44.919 45.100 0.190 0.000 0.849 67 G HN 0.548 nan 8.290 nan 0.000 0.532 68 I N 1.961 122.513 120.570 -0.030 0.000 2.468 68 I HA 0.290 4.463 4.170 0.004 0.000 0.285 68 I C -0.066 175.870 176.117 -0.302 0.000 1.039 68 I CA -0.234 60.927 61.300 -0.233 0.000 1.074 68 I CB 2.023 39.738 38.000 -0.475 0.000 1.228 68 I HN 0.302 nan 8.210 nan 0.000 0.436 69 M N 7.150 126.572 119.600 -0.297 0.000 2.044 69 M HA 0.420 4.902 4.480 0.004 0.000 0.333 69 M C -1.284 174.980 176.300 -0.061 0.000 1.004 69 M CA -0.862 54.211 55.300 -0.379 0.000 0.954 69 M CB 1.282 33.563 32.600 -0.530 0.000 1.468 69 M HN 0.175 nan 8.290 nan 0.000 0.414 70 L N 4.943 126.095 121.223 -0.117 0.000 2.281 70 L HA 0.450 4.792 4.340 0.004 0.000 0.285 70 L C -0.095 176.763 176.870 -0.021 0.000 1.074 70 L CA -0.240 54.550 54.840 -0.082 0.000 0.817 70 L CB 0.459 42.436 42.059 -0.137 0.000 1.168 70 L HN 0.623 nan 8.230 nan 0.000 0.434 71 I N 3.207 123.652 120.570 -0.208 0.000 2.337 71 I HA 0.442 4.614 4.170 0.004 0.000 0.291 71 I C 1.037 176.769 176.117 -0.641 0.000 1.046 71 I CA 0.076 61.048 61.300 -0.546 0.000 1.324 71 I CB 0.674 38.012 38.000 -1.103 0.000 1.409 71 I HN 0.806 nan 8.210 nan 0.000 0.494 72 G N 4.609 113.149 108.800 -0.435 0.000 2.151 72 G HA2 -0.209 3.754 3.960 0.004 0.000 0.156 72 G HA3 -0.209 3.754 3.960 0.004 0.000 0.156 72 G C 0.425 175.194 174.900 -0.219 0.000 1.017 72 G CA -0.200 44.685 45.100 -0.358 0.000 0.686 72 G HN 0.576 nan 8.290 nan 0.000 0.503 73 L N 1.182 122.308 121.223 -0.162 0.000 2.127 73 L HA 0.181 4.524 4.340 0.004 0.000 0.211 73 L C 2.455 179.265 176.870 -0.100 0.000 1.089 73 L CA 3.314 58.081 54.840 -0.122 0.000 0.757 73 L CB -0.596 41.395 42.059 -0.114 0.000 0.899 73 L HN 0.473 nan 8.230 nan 0.000 0.434 74 G N -1.282 107.460 108.800 -0.098 0.000 2.848 74 G HA2 0.154 4.117 3.960 0.004 0.000 0.208 74 G HA3 0.154 4.117 3.960 0.004 0.000 0.208 74 G C 0.835 175.689 174.900 -0.077 0.000 1.152 74 G CA 0.351 45.403 45.100 -0.079 0.000 0.789 74 G HN 0.630 nan 8.290 nan 0.000 0.531 75 G N -0.236 108.511 108.800 -0.088 0.000 2.508 75 G HA2 0.158 4.120 3.960 0.004 0.000 0.278 75 G HA3 0.158 4.120 3.960 0.004 0.000 0.278 75 G C 0.846 175.713 174.900 -0.055 0.000 1.389 75 G CA -0.335 44.723 45.100 -0.071 0.000 1.050 75 G HN 0.276 nan 8.290 nan 0.000 0.522 76 N N -0.523 118.153 118.700 -0.039 0.000 2.188 76 N HA -0.130 4.613 4.740 0.004 0.000 0.184 76 N C 1.955 177.448 175.510 -0.029 0.000 1.018 76 N CA 0.972 54.004 53.050 -0.030 0.000 0.858 76 N CB -0.007 38.473 38.487 -0.011 0.000 0.989 76 N HN 0.499 nan 8.380 nan 0.000 0.426 77 N N 0.476 119.158 118.700 -0.030 0.000 2.135 77 N HA -0.063 4.679 4.740 0.004 0.000 0.186 77 N C 2.096 177.587 175.510 -0.032 0.000 1.027 77 N CA 0.660 53.697 53.050 -0.023 0.000 0.849 77 N CB -0.169 38.304 38.487 -0.023 0.000 1.002 77 N HN 0.152 nan 8.380 nan 0.000 0.425 78 G N 1.228 109.995 108.800 -0.056 0.000 2.553 78 G HA2 -0.365 3.597 3.960 0.004 0.000 0.218 78 G HA3 -0.365 3.597 3.960 0.004 0.000 0.218 78 G C 1.714 176.588 174.900 -0.043 0.000 1.195 78 G CA 1.612 46.673 45.100 -0.066 0.000 0.779 78 G HN 0.456 nan 8.290 nan 0.000 0.577 79 S N -0.269 115.404 115.700 -0.045 0.000 2.368 79 S HA -0.097 4.376 4.470 0.004 0.000 0.224 79 S C 2.268 176.850 174.600 -0.029 0.000 1.029 79 S CA 2.135 60.312 58.200 -0.037 0.000 0.988 79 S CB -0.868 62.303 63.200 -0.049 0.000 0.838 79 S HN 0.287 nan 8.310 nan 0.000 0.462 80 T N 3.272 117.809 114.554 -0.029 0.000 2.915 80 T HA 0.110 4.463 4.350 0.004 0.000 0.269 80 T C 1.711 176.411 174.700 -0.000 0.000 1.071 80 T CA 0.907 62.992 62.100 -0.026 0.000 1.132 80 T CB -0.458 68.397 68.868 -0.021 0.000 0.878 80 T HN 0.251 nan 8.240 nan 0.000 0.479 81 L N 1.821 123.052 121.223 0.013 0.000 1.955 81 L HA -0.117 4.225 4.340 0.004 0.000 0.213 81 L C 2.449 179.362 176.870 0.072 0.000 1.072 81 L CA 1.965 56.837 54.840 0.054 0.000 0.755 81 L CB -1.098 40.986 42.059 0.043 0.000 0.888 81 L HN 0.150 nan 8.230 nan 0.000 0.432 82 V N 0.823 120.764 119.914 0.046 0.000 2.324 82 V HA -0.311 3.812 4.120 0.004 0.000 0.250 82 V C 3.020 179.137 176.094 0.038 0.000 1.060 82 V CA 1.770 64.101 62.300 0.051 0.000 1.042 82 V CB -1.408 30.430 31.823 0.024 0.000 0.650 82 V HN 0.625 nan 8.190 nan 0.000 0.450 83 A N 0.872 123.696 122.820 0.008 0.000 1.940 83 A HA -0.230 4.092 4.320 0.004 0.000 0.219 83 A C 2.519 180.085 177.584 -0.031 0.000 1.176 83 A CA 2.503 54.529 52.037 -0.018 0.000 0.631 83 A CB -0.736 18.230 19.000 -0.057 0.000 0.814 83 A HN 0.708 nan 8.150 nan 0.000 0.446 84 S N -0.580 115.110 115.700 -0.016 0.000 2.387 84 S HA -0.076 4.396 4.470 0.004 0.000 0.226 84 S C 1.754 176.335 174.600 -0.031 0.000 1.026 84 S CA 1.142 59.309 58.200 -0.055 0.000 0.972 84 S CB -0.875 62.341 63.200 0.027 0.000 0.814 84 S HN 0.229 nan 8.310 nan 0.000 0.477 85 V N 2.075 122.040 119.914 0.086 0.000 2.237 85 V HA -0.135 3.988 4.120 0.004 0.000 0.245 85 V C 2.574 178.681 176.094 0.022 0.000 1.046 85 V CA 1.630 63.993 62.300 0.105 0.000 1.007 85 V CB -0.901 31.003 31.823 0.136 0.000 0.638 85 V HN 0.342 nan 8.190 nan 0.000 0.445 86 L N 0.311 121.563 121.223 0.049 0.000 2.051 86 L HA -0.221 4.122 4.340 0.004 0.000 0.214 86 L C 2.525 179.454 176.870 0.097 0.000 1.076 86 L CA 2.558 57.464 54.840 0.110 0.000 0.758 86 L CB -1.470 40.658 42.059 0.115 0.000 0.890 86 L HN 0.358 nan 8.230 nan 0.000 0.433 87 A N -1.177 121.643 122.820 0.000 0.000 1.897 87 A HA -0.169 4.154 4.320 0.004 0.000 0.215 87 A C 2.122 179.660 177.584 -0.078 0.000 1.181 87 A CA 1.707 53.730 52.037 -0.023 0.000 0.620 87 A CB -0.616 18.332 19.000 -0.087 0.000 0.821 87 A HN 0.527 nan 8.150 nan 0.000 0.443 88 N N -0.419 118.162 118.700 -0.199 0.000 2.171 88 N HA -0.089 4.654 4.740 0.004 0.000 0.184 88 N C 1.753 177.181 175.510 -0.138 0.000 1.021 88 N CA 1.284 54.176 53.050 -0.264 0.000 0.854 88 N CB -0.172 37.941 38.487 -0.622 0.000 0.994 88 N HN 0.518 nan 8.380 nan 0.000 0.426 89 K N 0.508 120.813 120.400 -0.159 0.000 2.103 89 K HA -0.157 4.165 4.320 0.004 0.000 0.207 89 K C 0.362 176.757 176.600 -0.342 0.000 1.048 89 K CA 1.457 57.574 56.287 -0.285 0.000 0.930 89 K CB -0.065 32.189 32.500 -0.411 0.000 0.716 89 K HN 0.473 nan 8.250 nan 0.000 0.444 90 H N 0.227 119.288 119.070 -0.015 0.000 2.505 90 H HA 0.230 4.789 4.556 0.004 0.000 0.286 90 H C -0.578 174.738 175.328 -0.019 0.000 1.072 90 H CA -0.307 55.732 56.048 -0.014 0.000 1.141 90 H CB 0.204 29.958 29.762 -0.013 0.000 1.550 90 H HN 0.225 nan 8.280 nan 0.000 0.547 91 N N 0.934 119.662 118.700 0.046 0.000 2.699 91 N HA -0.174 4.568 4.740 0.004 0.000 0.256 91 N C -0.065 175.468 175.510 0.037 0.000 0.993 91 N CA 0.779 53.839 53.050 0.018 0.000 0.759 91 N CB -1.024 37.467 38.487 0.007 0.000 0.906 91 N HN 0.332 nan 8.380 nan 0.000 0.541 92 V N 0.534 120.485 119.914 0.061 0.000 2.287 92 V HA 0.071 4.194 4.120 0.004 0.000 0.246 92 V C 1.041 177.214 176.094 0.132 0.000 1.165 92 V CA -0.607 61.740 62.300 0.077 0.000 1.088 92 V CB -0.234 31.633 31.823 0.073 0.000 1.242 92 V HN 0.339 nan 8.190 nan 0.000 0.497 93 E N 6.069 126.301 120.200 0.053 0.000 2.422 93 E HA 0.386 4.738 4.350 0.004 0.000 0.260 93 E C -0.579 176.070 176.600 0.082 0.000 1.108 93 E CA -0.341 56.044 56.400 -0.025 0.000 0.943 93 E CB 0.671 30.308 29.700 -0.106 0.000 0.961 93 E HN 0.816 nan 8.360 nan 0.000 0.443 94 F N -1.845 118.077 119.950 -0.046 0.000 2.619 94 F HA 0.390 4.920 4.527 0.004 0.000 0.308 94 F C -0.912 174.873 175.800 -0.025 0.000 1.097 94 F CA -1.414 56.564 58.000 -0.037 0.000 0.953 94 F CB 1.284 40.257 39.000 -0.044 0.000 1.287 94 F HN 0.218 nan 8.300 nan 0.000 0.446 95 Q N 1.669 121.551 119.800 0.136 0.000 2.260 95 Q HA 0.679 5.022 4.340 0.004 0.000 0.242 95 Q C -0.680 175.402 176.000 0.137 0.000 0.932 95 Q CA -0.090 55.745 55.803 0.054 0.000 0.891 95 Q CB 2.062 30.837 28.738 0.061 0.000 1.222 95 Q HN 0.969 nan 8.270 nan 0.000 0.453 96 T N 0.124 114.714 114.554 0.059 0.000 2.762 96 T HA 0.215 4.568 4.350 0.004 0.000 0.301 96 T C 0.650 175.379 174.700 0.049 0.000 1.299 96 T CA -0.654 61.505 62.100 0.097 0.000 1.005 96 T CB 1.151 70.078 68.868 0.100 0.000 1.377 96 T HN 0.413 nan 8.240 nan 0.000 0.504 97 K N 0.627 121.059 120.400 0.053 0.000 2.152 97 K HA -0.099 4.224 4.320 0.004 0.000 0.206 97 K C 0.946 177.557 176.600 0.018 0.000 1.048 97 K CA 1.512 57.819 56.287 0.033 0.000 0.933 97 K CB 0.021 32.541 32.500 0.033 0.000 0.721 97 K HN 0.422 nan 8.250 nan 0.000 0.447 98 E N -0.102 120.109 120.200 0.017 0.000 2.476 98 E HA 0.110 4.462 4.350 0.004 0.000 0.191 98 E C 0.482 177.069 176.600 -0.022 0.000 1.064 98 E CA 0.227 56.628 56.400 0.002 0.000 0.866 98 E CB 0.684 30.388 29.700 0.007 0.000 0.952 98 E HN 0.427 nan 8.360 nan 0.000 0.492 99 G N -0.430 108.353 108.800 -0.028 0.000 2.352 99 G HA2 -0.179 3.783 3.960 0.004 0.000 0.324 99 G HA3 -0.179 3.783 3.960 0.004 0.000 0.324 99 G C -1.187 173.646 174.900 -0.111 0.000 1.249 99 G CA -0.545 44.521 45.100 -0.056 0.000 1.053 99 G HN 0.302 nan 8.290 nan 0.000 0.492 100 V N 1.118 120.949 119.914 -0.139 0.000 2.432 100 V HA 0.693 4.816 4.120 0.004 0.000 0.271 100 V C -0.276 175.611 176.094 -0.344 0.000 1.046 100 V CA -0.398 61.768 62.300 -0.224 0.000 0.945 100 V CB 0.958 32.690 31.823 -0.151 0.000 0.992 100 V HN 0.673 nan 8.190 nan 0.000 0.471 101 K N 4.921 124.924 120.400 -0.662 0.000 2.164 101 K HA 0.520 4.842 4.320 0.004 0.000 0.258 101 K C -0.476 175.702 176.600 -0.703 0.000 0.951 101 K CA -0.631 55.213 56.287 -0.738 0.000 0.844 101 K CB 1.677 33.550 32.500 -1.046 0.000 1.099 101 K HN 0.680 nan 8.250 nan 0.000 0.435 102 Q N 2.057 121.634 119.800 -0.373 0.000 2.259 102 Q HA 0.357 4.699 4.340 0.004 0.000 0.249 102 Q C -2.085 173.815 176.000 -0.168 0.000 0.914 102 Q CA -2.106 53.559 55.803 -0.230 0.000 0.904 102 Q CB 0.343 28.987 28.738 -0.157 0.000 1.213 102 Q HN 0.297 nan 8.270 nan 0.000 0.428 103 P HA 0.143 nan 4.420 nan 0.000 0.272 103 P C -0.453 176.711 177.300 -0.227 0.000 1.230 103 P CA -0.145 62.938 63.100 -0.028 0.000 0.788 103 P CB 0.706 32.373 31.700 -0.056 0.000 0.949 104 N N -0.501 117.997 118.700 -0.338 0.000 3.277 104 N HA 0.189 4.932 4.740 0.004 0.000 0.278 104 N C -1.301 173.997 175.510 -0.352 0.000 1.544 104 N CA -0.643 52.175 53.050 -0.387 0.000 0.869 104 N CB 0.573 38.682 38.487 -0.630 0.000 1.584 104 N HN 0.148 nan 8.380 nan 0.000 0.564 105 Y N 0.132 120.419 120.300 -0.022 0.000 2.713 105 Y HA 0.437 4.989 4.550 0.004 0.000 0.269 105 Y C -0.284 175.748 175.900 0.221 0.000 1.106 105 Y CA -0.799 57.332 58.100 0.052 0.000 1.174 105 Y CB -0.067 38.403 38.460 0.017 0.000 1.186 105 Y HN 0.329 nan 8.280 nan 0.000 0.555 106 F N 0.596 120.613 119.950 0.113 0.000 2.629 106 F HA 0.166 4.695 4.527 0.004 0.000 0.369 106 F C 1.567 177.413 175.800 0.076 0.000 1.125 106 F CA 1.037 59.082 58.000 0.075 0.000 1.330 106 F CB 0.506 39.539 39.000 0.055 0.000 1.071 106 F HN 0.475 nan 8.300 nan 0.000 0.595 107 G N 1.651 110.575 108.800 0.207 0.000 2.176 107 G HA2 -0.275 3.688 3.960 0.004 0.000 0.232 107 G HA3 -0.275 3.688 3.960 0.004 0.000 0.232 107 G C 0.028 175.004 174.900 0.126 0.000 0.986 107 G CA 0.049 45.231 45.100 0.137 0.000 0.643 107 G HN 0.760 nan 8.290 nan 0.000 0.522 108 S N 0.371 116.142 115.700 0.119 0.000 2.457 108 S HA 0.632 5.105 4.470 0.004 0.000 0.289 108 S C 1.525 176.124 174.600 -0.001 0.000 1.163 108 S CA 0.252 58.485 58.200 0.055 0.000 1.078 108 S CB 0.875 64.070 63.200 -0.008 0.000 0.987 108 S HN 0.339 nan 8.310 nan 0.000 0.482 109 M N 4.414 124.015 119.600 0.002 0.000 2.123 109 M HA -0.080 4.403 4.480 0.004 0.000 0.263 109 M C 2.145 178.172 176.300 -0.455 0.000 1.069 109 M CA 2.454 57.652 55.300 -0.170 0.000 1.133 109 M CB -1.262 31.264 32.600 -0.123 0.000 1.356 109 M HN 0.909 nan 8.290 nan 0.000 0.415 110 T N -0.951 113.337 114.554 -0.443 0.000 2.788 110 T HA -0.156 4.197 4.350 0.004 0.000 0.268 110 T C 1.592 176.189 174.700 -0.171 0.000 1.044 110 T CA 1.206 63.042 62.100 -0.440 0.000 1.139 110 T CB -0.294 68.437 68.868 -0.229 0.000 0.867 110 T HN 0.467 nan 8.240 nan 0.000 0.454 111 Q N -0.589 119.129 119.800 -0.138 0.000 2.373 111 Q HA 0.281 4.623 4.340 0.004 0.000 0.210 111 Q C 2.085 178.092 176.000 0.011 0.000 0.913 111 Q CA 0.506 56.273 55.803 -0.059 0.000 0.911 111 Q CB -0.191 28.496 28.738 -0.084 0.000 1.040 111 Q HN 0.610 nan 8.270 nan 0.000 0.521 112 C N 1.080 120.379 119.300 -0.002 0.000 3.392 112 C HA 0.245 4.708 4.460 0.004 0.000 0.301 112 C C 1.260 176.235 174.990 -0.023 0.000 1.354 112 C CA -0.289 58.743 59.018 0.023 0.000 1.732 112 C CB 0.072 27.857 27.740 0.076 0.000 2.269 112 C HN 0.395 nan 8.230 nan 0.000 0.673 113 S N 1.028 116.700 115.700 -0.045 0.000 2.617 113 S HA 0.623 5.096 4.470 0.004 0.000 0.283 113 S C -0.053 174.592 174.600 0.076 0.000 1.189 113 S CA -0.025 58.162 58.200 -0.022 0.000 1.036 113 S CB 1.214 64.377 63.200 -0.062 0.000 1.014 113 S HN 0.500 nan 8.310 nan 0.000 0.522 114 T N 0.270 114.879 114.554 0.091 0.000 2.923 114 T HA 0.742 5.094 4.350 0.004 0.000 0.281 114 T C -0.400 174.453 174.700 0.255 0.000 0.995 114 T CA -0.976 61.224 62.100 0.167 0.000 0.985 114 T CB 0.467 69.419 68.868 0.141 0.000 1.114 114 T HN 0.672 nan 8.240 nan 0.000 0.548 115 L N 0.413 121.804 121.223 0.280 0.000 2.455 115 L HA 0.499 4.841 4.340 0.004 0.000 0.264 115 L C -0.347 176.516 176.870 -0.011 0.000 0.968 115 L CA -1.133 53.805 54.840 0.163 0.000 0.827 115 L CB 2.611 44.677 42.059 0.013 0.000 1.317 115 L HN 0.770 nan 8.230 nan 0.000 0.407 116 K N 2.706 122.939 120.400 -0.278 0.000 2.349 116 K HA 0.309 4.631 4.320 0.004 0.000 0.288 116 K C 0.263 176.663 176.600 -0.334 0.000 1.058 116 K CA -0.270 55.579 56.287 -0.730 0.000 0.953 116 K CB 0.953 33.014 32.500 -0.733 0.000 0.997 116 K HN 0.657 nan 8.250 nan 0.000 0.477 117 L N 2.873 123.927 121.223 -0.283 0.000 2.253 117 L HA 0.216 4.559 4.340 0.004 0.000 0.205 117 L C 1.187 177.973 176.870 -0.140 0.000 1.078 117 L CA 0.731 55.474 54.840 -0.162 0.000 0.805 117 L CB 0.284 42.274 42.059 -0.114 0.000 0.963 117 L HN 1.006 nan 8.230 nan 0.000 0.459 118 G N -0.246 108.457 108.800 -0.161 0.000 2.498 118 G HA2 0.245 4.207 3.960 0.004 0.000 0.181 118 G HA3 0.245 4.207 3.960 0.004 0.000 0.181 118 G C -1.544 173.293 174.900 -0.104 0.000 1.169 118 G CA -0.200 44.833 45.100 -0.112 0.000 0.992 118 G HN 0.023 nan 8.290 nan 0.000 0.490 119 I N -1.001 119.534 120.570 -0.058 0.000 3.170 119 I HA 0.801 4.974 4.170 0.004 0.000 0.312 119 I C -0.828 175.278 176.117 -0.018 0.000 1.085 119 I CA -1.089 60.190 61.300 -0.035 0.000 0.999 119 I CB 2.359 40.348 38.000 -0.019 0.000 1.233 119 I HN 0.635 nan 8.210 nan 0.000 0.467 120 D N 2.168 122.566 120.400 -0.004 0.000 2.588 120 D HA 0.422 5.064 4.640 0.004 0.000 0.268 120 D C 1.093 177.396 176.300 0.006 0.000 1.176 120 D CA -0.224 53.777 54.000 0.002 0.000 1.080 120 D CB 1.098 41.904 40.800 0.009 0.000 1.186 120 D HN 0.694 nan 8.370 nan 0.000 0.619 121 A N -0.063 122.761 122.820 0.008 0.000 1.894 121 A HA -0.216 4.106 4.320 0.004 0.000 0.220 121 A C 0.945 178.536 177.584 0.012 0.000 1.237 121 A CA 1.886 53.929 52.037 0.009 0.000 0.660 121 A CB -1.068 17.937 19.000 0.009 0.000 0.835 121 A HN 0.672 nan 8.150 nan 0.000 0.461 122 E N -0.029 120.179 120.200 0.014 0.000 2.200 122 E HA 0.377 4.730 4.350 0.004 0.000 0.283 122 E C 0.872 177.483 176.600 0.018 0.000 1.015 122 E CA -0.132 56.277 56.400 0.016 0.000 0.819 122 E CB 0.177 29.887 29.700 0.017 0.000 1.081 122 E HN 0.336 nan 8.360 nan 0.000 0.397 123 G N 3.888 112.699 108.800 0.019 0.000 3.639 123 G HA2 -0.331 3.632 3.960 0.004 0.000 0.212 123 G HA3 -0.331 3.632 3.960 0.004 0.000 0.212 123 G C 0.208 175.120 174.900 0.020 0.000 1.127 123 G CA 0.446 45.557 45.100 0.020 0.000 0.681 123 G HN 0.620 nan 8.290 nan 0.000 0.674 124 N N 1.672 120.386 118.700 0.023 0.000 2.399 124 N HA 0.208 4.950 4.740 0.004 0.000 0.259 124 N C -0.793 174.737 175.510 0.033 0.000 1.160 124 N CA -0.746 52.324 53.050 0.033 0.000 0.946 124 N CB 0.610 39.119 38.487 0.037 0.000 1.156 124 N HN 0.047 nan 8.380 nan 0.000 0.489 125 D N 1.384 121.807 120.400 0.039 0.000 2.795 125 D HA -0.098 4.545 4.640 0.004 0.000 0.221 125 D C -0.361 175.965 176.300 0.044 0.000 1.108 125 D CA 0.731 54.740 54.000 0.015 0.000 0.832 125 D CB 0.562 41.432 40.800 0.116 0.000 1.183 125 D HN 0.033 nan 8.370 nan 0.000 0.503 126 V N 3.420 123.288 119.914 -0.077 0.000 2.487 126 V HA 0.301 4.423 4.120 0.004 0.000 0.298 126 V C -0.615 175.384 176.094 -0.159 0.000 1.028 126 V CA -0.699 61.589 62.300 -0.020 0.000 0.860 126 V CB 0.961 32.766 31.823 -0.030 0.000 0.991 126 V HN 0.370 nan 8.190 nan 0.000 0.427 127 Y N 2.431 122.728 120.300 -0.004 0.000 2.487 127 Y HA 0.835 5.388 4.550 0.005 0.000 0.337 127 Y C 0.413 176.311 175.900 -0.003 0.000 1.076 127 Y CA -0.441 57.657 58.100 -0.004 0.000 1.115 127 Y CB 2.179 40.639 38.460 -0.000 0.000 1.235 127 Y HN 0.728 nan 8.280 nan 0.000 0.468 128 A N 2.581 125.488 122.820 0.145 0.000 2.527 128 A HA 0.791 5.113 4.320 0.004 0.000 0.293 128 A C -3.069 174.574 177.584 0.098 0.000 1.117 128 A CA -2.226 49.861 52.037 0.084 0.000 0.723 128 A CB 1.448 20.461 19.000 0.021 0.000 1.313 128 A HN 0.440 nan 8.150 nan 0.000 0.411 129 P HA 0.143 nan 4.420 nan 0.000 0.268 129 P C 0.388 177.761 177.300 0.122 0.000 1.204 129 P CA 0.063 63.223 63.100 0.101 0.000 0.768 129 P CB 0.202 31.946 31.700 0.074 0.000 0.842 130 F N 3.933 123.869 119.950 -0.024 0.000 2.250 130 F HA -0.230 4.299 4.527 0.004 0.000 0.301 130 F C 1.426 177.174 175.800 -0.087 0.000 1.077 130 F CA 1.513 59.478 58.000 -0.058 0.000 1.348 130 F CB 0.055 39.019 39.000 -0.060 0.000 1.040 130 F HN 0.297 nan 8.300 nan 0.000 0.509 131 N N -0.457 118.370 118.700 0.212 0.000 2.251 131 N HA -0.004 4.739 4.740 0.004 0.000 0.217 131 N C 0.720 176.243 175.510 0.021 0.000 1.124 131 N CA 0.683 53.800 53.050 0.111 0.000 0.843 131 N CB -0.686 37.870 38.487 0.115 0.000 1.024 131 N HN 0.246 nan 8.380 nan 0.000 0.501 132 S N -1.079 114.623 115.700 0.003 0.000 2.540 132 S HA 0.200 4.672 4.470 0.004 0.000 0.218 132 S C 1.329 175.911 174.600 -0.031 0.000 0.977 132 S CA -0.366 57.831 58.200 -0.004 0.000 0.918 132 S CB -0.108 63.098 63.200 0.010 0.000 0.806 132 S HN 0.052 nan 8.310 nan 0.000 0.496 133 L N 0.949 122.122 121.223 -0.084 0.000 2.049 133 L HA 0.438 4.781 4.340 0.004 0.000 0.203 133 L C 0.702 177.544 176.870 -0.047 0.000 1.074 133 L CA 1.430 56.211 54.840 -0.098 0.000 0.749 133 L CB -0.363 41.580 42.059 -0.195 0.000 0.907 133 L HN 0.363 nan 8.230 nan 0.000 0.439 134 L N -0.609 120.594 121.223 -0.034 0.000 2.350 134 L HA 0.415 4.757 4.340 0.004 0.000 0.260 134 L C -2.324 174.619 176.870 0.121 0.000 1.015 134 L CA -1.956 52.930 54.840 0.076 0.000 0.821 134 L CB 1.819 43.997 42.059 0.199 0.000 1.370 134 L HN -0.109 nan 8.230 nan 0.000 0.416 135 P HA 0.108 nan 4.420 nan 0.000 0.265 135 P C -1.223 176.205 177.300 0.214 0.000 1.222 135 P CA 0.315 63.498 63.100 0.139 0.000 0.767 135 P CB 0.605 32.362 31.700 0.095 0.000 0.801 136 M N 2.903 122.593 119.600 0.149 0.000 2.530 136 M HA 0.260 4.742 4.480 0.004 0.000 0.307 136 M C -0.089 176.276 176.300 0.108 0.000 1.161 136 M CA -1.309 54.095 55.300 0.174 0.000 0.903 136 M CB 2.949 35.614 32.600 0.108 0.000 1.711 136 M HN 0.045 nan 8.290 nan 0.000 0.451 137 V N 2.475 122.467 119.914 0.130 0.000 2.529 137 V HA 0.151 4.273 4.120 0.004 0.000 0.292 137 V C 0.121 176.215 176.094 -0.001 0.000 1.028 137 V CA 0.292 62.651 62.300 0.099 0.000 1.074 137 V CB 1.265 33.199 31.823 0.185 0.000 0.958 137 V HN 0.903 nan 8.190 nan 0.000 0.481 138 S N 8.530 124.186 115.700 -0.073 0.000 2.545 138 S HA 0.426 4.898 4.470 0.004 0.000 0.275 138 S C -1.030 173.270 174.600 -0.500 0.000 1.299 138 S CA -0.849 57.221 58.200 -0.218 0.000 1.048 138 S CB 1.374 64.484 63.200 -0.151 0.000 0.938 138 S HN 0.810 nan 8.310 nan 0.000 0.496 139 P HA -0.100 nan 4.420 nan 0.000 0.225 139 P C 0.430 177.308 177.300 -0.703 0.000 1.148 139 P CA 1.068 63.313 63.100 -1.425 0.000 0.779 139 P CB -0.368 30.571 31.700 -1.269 0.000 0.780 140 N N 0.005 118.519 118.700 -0.311 0.000 2.635 140 N HA -0.093 4.650 4.740 0.004 0.000 0.191 140 N C 0.658 176.115 175.510 -0.088 0.000 1.155 140 N CA 0.434 53.416 53.050 -0.112 0.000 0.927 140 N CB -0.247 38.213 38.487 -0.045 0.000 0.976 140 N HN 0.184 nan 8.380 nan 0.000 0.448 141 D N -0.519 119.825 120.400 -0.093 0.000 2.469 141 D HA 0.088 4.730 4.640 0.004 0.000 0.215 141 D C -0.097 176.348 176.300 0.243 0.000 1.154 141 D CA -0.099 53.933 54.000 0.052 0.000 0.832 141 D CB 0.332 41.159 40.800 0.045 0.000 1.008 141 D HN 0.183 nan 8.370 nan 0.000 0.506 142 F N 0.853 120.809 119.950 0.009 0.000 2.410 142 F HA 0.277 4.807 4.527 0.004 0.000 0.334 142 F C 0.749 176.575 175.800 0.044 0.000 1.134 142 F CA -0.500 57.516 58.000 0.026 0.000 1.227 142 F CB 1.330 40.342 39.000 0.020 0.000 1.194 142 F HN -0.380 nan 8.300 nan 0.000 0.571 143 V N 3.470 123.530 119.914 0.243 0.000 2.482 143 V HA 0.304 4.427 4.120 0.004 0.000 0.295 143 V C -0.554 175.680 176.094 0.233 0.000 1.026 143 V CA -0.630 61.786 62.300 0.193 0.000 0.856 143 V CB 1.802 33.688 31.823 0.106 0.000 1.001 143 V HN 0.445 nan 8.190 nan 0.000 0.424 144 V N 4.010 124.028 119.914 0.173 0.000 2.495 144 V HA 0.834 4.957 4.120 0.004 0.000 0.298 144 V C 0.139 176.218 176.094 -0.025 0.000 1.031 144 V CA -0.059 62.272 62.300 0.051 0.000 0.871 144 V CB 1.691 33.534 31.823 0.034 0.000 0.988 144 V HN 0.913 nan 8.190 nan 0.000 0.432 145 S N 2.721 118.255 115.700 -0.277 0.000 3.144 145 S HA 1.011 5.484 4.470 0.004 0.000 0.325 145 S C -0.260 174.024 174.600 -0.527 0.000 1.161 145 S CA 0.286 58.256 58.200 -0.383 0.000 0.920 145 S CB 1.698 64.684 63.200 -0.357 0.000 1.340 145 S HN 1.906 nan 8.310 nan 0.000 0.681 146 G N -0.670 107.724 108.800 -0.677 0.000 2.356 146 G HA2 0.262 4.224 3.960 0.004 0.000 0.288 146 G HA3 0.262 4.224 3.960 0.004 0.000 0.288 146 G C -2.071 172.519 174.900 -0.517 0.000 1.302 146 G CA -0.534 44.194 45.100 -0.620 0.000 0.887 146 G HN 0.629 nan 8.290 nan 0.000 0.521 147 W N -0.301 120.889 121.300 -0.183 0.000 2.902 147 W HA 0.732 5.395 4.660 0.004 0.000 0.346 147 W C -1.037 175.363 176.519 -0.199 0.000 1.139 147 W CA -0.412 56.853 57.345 -0.133 0.000 1.139 147 W CB 2.497 31.931 29.460 -0.044 0.000 1.439 147 W HN 0.584 nan 8.180 nan 0.000 0.558 148 D N 0.990 121.452 120.400 0.103 0.000 2.795 148 D HA 0.093 4.736 4.640 0.004 0.000 0.206 148 D C 0.465 176.758 176.300 -0.012 0.000 1.278 148 D CA -0.361 53.621 54.000 -0.029 0.000 0.839 148 D CB 1.774 42.540 40.800 -0.058 0.000 1.700 148 D HN 0.434 nan 8.370 nan 0.000 0.549 149 I N 0.361 120.900 120.570 -0.052 0.000 3.164 149 I HA 0.018 4.191 4.170 0.004 0.000 0.278 149 I C 0.210 176.273 176.117 -0.089 0.000 1.320 149 I CA 0.517 61.778 61.300 -0.064 0.000 1.422 149 I CB -0.392 37.525 38.000 -0.139 0.000 1.066 149 I HN 0.017 nan 8.210 nan 0.000 0.503 150 N N 1.728 120.387 118.700 -0.069 0.000 2.346 150 N HA 0.194 4.936 4.740 0.004 0.000 0.289 150 N C 0.337 175.823 175.510 -0.039 0.000 1.027 150 N CA -0.762 52.250 53.050 -0.063 0.000 0.864 150 N CB 1.092 39.536 38.487 -0.072 0.000 1.370 150 N HN 0.150 nan 8.380 nan 0.000 0.481 151 N N 2.165 120.848 118.700 -0.028 0.000 2.571 151 N HA 0.054 4.797 4.740 0.004 0.000 0.189 151 N C 0.103 175.603 175.510 -0.017 0.000 1.154 151 N CA -0.104 52.936 53.050 -0.017 0.000 0.907 151 N CB 0.010 38.493 38.487 -0.007 0.000 0.977 151 N HN 0.490 nan 8.380 nan 0.000 0.449 152 A N 0.900 123.706 122.820 -0.024 0.000 2.531 152 A HA 0.180 4.503 4.320 0.004 0.000 0.236 152 A C 0.208 177.783 177.584 -0.015 0.000 1.062 152 A CA -0.239 51.786 52.037 -0.020 0.000 0.760 152 A CB -0.203 18.778 19.000 -0.032 0.000 0.995 152 A HN 0.632 nan 8.150 nan 0.000 0.501 153 D N 0.819 121.221 120.400 0.003 0.000 2.398 153 D HA 0.247 4.889 4.640 0.004 0.000 0.247 153 D C 0.547 176.855 176.300 0.013 0.000 1.227 153 D CA -0.662 53.346 54.000 0.014 0.000 0.980 153 D CB 0.269 41.090 40.800 0.036 0.000 1.106 153 D HN 0.141 nan 8.370 nan 0.000 0.493 154 L N -0.343 120.892 121.223 0.020 0.000 2.291 154 L HA -0.020 4.322 4.340 0.004 0.000 0.214 154 L C 1.734 178.627 176.870 0.038 0.000 1.120 154 L CA 1.119 55.965 54.840 0.011 0.000 0.799 154 L CB -1.289 40.773 42.059 0.005 0.000 0.925 154 L HN 0.571 nan 8.230 nan 0.000 0.446 155 Y N 0.694 120.970 120.300 -0.040 0.000 2.220 155 Y HA -0.184 4.368 4.550 0.004 0.000 0.291 155 Y C 2.295 178.173 175.900 -0.037 0.000 1.129 155 Y CA 1.637 59.710 58.100 -0.044 0.000 1.161 155 Y CB -0.050 38.383 38.460 -0.044 0.000 0.997 155 Y HN 0.312 nan 8.280 nan 0.000 0.522 156 E N 0.068 120.221 120.200 -0.077 0.000 2.153 156 E HA -0.168 4.185 4.350 0.004 0.000 0.194 156 E C 2.324 178.821 176.600 -0.171 0.000 0.988 156 E CA 0.925 57.225 56.400 -0.167 0.000 0.811 156 E CB -0.275 29.400 29.700 -0.042 0.000 0.746 156 E HN 0.568 nan 8.360 nan 0.000 0.466 157 A N 1.125 123.879 122.820 -0.110 0.000 1.898 157 A HA -0.136 4.186 4.320 0.004 0.000 0.216 157 A C 2.151 179.665 177.584 -0.118 0.000 1.181 157 A CA 1.089 53.069 52.037 -0.094 0.000 0.620 157 A CB -0.359 18.603 19.000 -0.063 0.000 0.819 157 A HN 0.123 nan 8.150 nan 0.000 0.442 158 M N -0.888 118.627 119.600 -0.141 0.000 2.159 158 M HA -0.211 4.272 4.480 0.004 0.000 0.263 158 M C 2.466 178.659 176.300 -0.178 0.000 1.063 158 M CA 1.416 56.634 55.300 -0.138 0.000 1.110 158 M CB -0.365 32.163 32.600 -0.119 0.000 1.374 158 M HN 0.518 nan 8.290 nan 0.000 0.411 159 Q N -0.187 119.439 119.800 -0.290 0.000 1.993 159 Q HA -0.236 4.106 4.340 0.004 0.000 0.202 159 Q C 2.097 178.012 176.000 -0.143 0.000 0.984 159 Q CA 1.765 57.405 55.803 -0.271 0.000 0.837 159 Q CB -0.357 28.151 28.738 -0.384 0.000 0.902 159 Q HN 0.486 nan 8.270 nan 0.000 0.423 160 R N 0.160 120.580 120.500 -0.133 0.000 2.120 160 R HA -0.104 4.239 4.340 0.004 0.000 0.234 160 R C 2.045 178.309 176.300 -0.060 0.000 1.123 160 R CA 1.646 57.694 56.100 -0.086 0.000 0.975 160 R CB -0.053 30.199 30.300 -0.081 0.000 0.866 160 R HN 0.039 nan 8.270 nan 0.000 0.446 161 S N 0.660 116.322 115.700 -0.064 0.000 2.387 161 S HA -0.082 4.391 4.470 0.004 0.000 0.226 161 S C 0.120 174.702 174.600 -0.031 0.000 1.026 161 S CA 1.000 59.174 58.200 -0.042 0.000 0.972 161 S CB 0.054 63.225 63.200 -0.047 0.000 0.814 161 S HN 0.502 nan 8.310 nan 0.000 0.477 162 Q N -0.573 119.203 119.800 -0.040 0.000 2.475 162 Q HA -0.164 4.178 4.340 0.004 0.000 0.280 162 Q C 0.679 176.669 176.000 -0.018 0.000 1.234 162 Q CA 0.453 56.242 55.803 -0.024 0.000 0.873 162 Q CB -2.402 26.329 28.738 -0.011 0.000 1.256 162 Q HN 0.393 nan 8.270 nan 0.000 0.475 163 V N -0.988 118.908 119.914 -0.031 0.000 2.331 163 V HA -0.056 4.066 4.120 0.004 0.000 0.242 163 V C 1.087 177.154 176.094 -0.045 0.000 1.034 163 V CA 1.184 63.466 62.300 -0.030 0.000 1.027 163 V CB -0.063 31.740 31.823 -0.033 0.000 0.667 163 V HN 0.297 nan 8.190 nan 0.000 0.457 164 L N 0.154 121.332 121.223 -0.075 0.000 2.399 164 L HA 0.400 4.742 4.340 0.004 0.000 0.265 164 L C 0.553 177.360 176.870 -0.104 0.000 1.089 164 L CA -0.656 54.111 54.840 -0.123 0.000 0.802 164 L CB 0.081 42.026 42.059 -0.190 0.000 1.180 164 L HN 0.239 nan 8.230 nan 0.000 0.454 165 E N 0.295 120.413 120.200 -0.137 0.000 2.534 165 E HA -0.218 4.135 4.350 0.004 0.000 0.264 165 E C 0.493 177.083 176.600 -0.017 0.000 0.981 165 E CA 0.573 56.945 56.400 -0.046 0.000 0.948 165 E CB 0.394 30.071 29.700 -0.038 0.000 0.934 165 E HN 0.475 nan 8.360 nan 0.000 0.459 166 Y N 3.518 123.809 120.300 -0.015 0.000 2.207 166 Y HA -0.280 4.272 4.550 0.004 0.000 0.287 166 Y C 1.906 177.820 175.900 0.023 0.000 1.156 166 Y CA 2.485 60.586 58.100 0.002 0.000 1.182 166 Y CB 0.033 38.502 38.460 0.014 0.000 0.979 166 Y HN 0.641 nan 8.280 nan 0.000 0.521 167 D N -0.375 120.053 120.400 0.047 0.000 2.117 167 D HA -0.192 4.451 4.640 0.004 0.000 0.197 167 D C 2.088 178.351 176.300 -0.062 0.000 0.987 167 D CA 1.219 55.227 54.000 0.013 0.000 0.829 167 D CB -0.349 40.535 40.800 0.141 0.000 0.961 167 D HN 0.350 nan 8.370 nan 0.000 0.460 168 L N 0.711 121.879 121.223 -0.092 0.000 1.994 168 L HA -0.150 4.193 4.340 0.004 0.000 0.208 168 L C 2.221 178.992 176.870 -0.166 0.000 1.071 168 L CA 1.780 56.513 54.840 -0.179 0.000 0.745 168 L CB -0.905 40.852 42.059 -0.503 0.000 0.892 168 L HN 0.135 nan 8.230 nan 0.000 0.431 169 Q N -1.160 118.526 119.800 -0.190 0.000 2.152 169 Q HA -0.271 4.072 4.340 0.004 0.000 0.206 169 Q C 2.117 178.062 176.000 -0.091 0.000 0.985 169 Q CA 1.621 57.347 55.803 -0.128 0.000 0.863 169 Q CB -0.303 28.342 28.738 -0.154 0.000 0.904 169 Q HN 0.577 nan 8.270 nan 0.000 0.422 170 Q N 0.552 120.217 119.800 -0.225 0.000 2.079 170 Q HA -0.072 4.270 4.340 0.004 0.000 0.200 170 Q C 1.978 177.906 176.000 -0.119 0.000 0.974 170 Q CA 1.270 56.954 55.803 -0.199 0.000 0.840 170 Q CB -0.181 28.385 28.738 -0.287 0.000 0.898 170 Q HN 0.430 nan 8.270 nan 0.000 0.430 171 R N 0.090 120.540 120.500 -0.082 0.000 2.193 171 R HA -0.010 4.333 4.340 0.004 0.000 0.229 171 R C 2.004 178.266 176.300 -0.063 0.000 1.110 171 R CA 0.721 56.787 56.100 -0.056 0.000 0.988 171 R CB -0.173 30.119 30.300 -0.014 0.000 0.871 171 R HN 0.200 nan 8.270 nan 0.000 0.458 172 L N 0.435 121.622 121.223 -0.059 0.000 2.585 172 L HA 0.089 4.431 4.340 0.004 0.000 0.226 172 L C 2.350 179.190 176.870 -0.050 0.000 1.113 172 L CA 0.166 54.980 54.840 -0.043 0.000 0.876 172 L CB -0.095 41.951 42.059 -0.022 0.000 1.072 172 L HN 0.091 nan 8.230 nan 0.000 0.468 173 K N 1.297 121.636 120.400 -0.102 0.000 2.032 173 K HA -0.222 4.100 4.320 0.004 0.000 0.209 173 K C 2.123 178.569 176.600 -0.256 0.000 1.048 173 K CA 1.623 57.747 56.287 -0.272 0.000 0.927 173 K CB -0.020 32.172 32.500 -0.514 0.000 0.712 173 K HN 0.275 nan 8.250 nan 0.000 0.441 174 A N 1.639 124.344 122.820 -0.192 0.000 1.858 174 A HA -0.197 4.125 4.320 0.004 0.000 0.216 174 A C 1.937 179.458 177.584 -0.105 0.000 1.190 174 A CA 1.900 53.846 52.037 -0.151 0.000 0.617 174 A CB -0.410 18.516 19.000 -0.123 0.000 0.827 174 A HN 0.357 nan 8.150 nan 0.000 0.443 175 K N -0.631 119.718 120.400 -0.085 0.000 2.057 175 K HA -0.068 4.255 4.320 0.004 0.000 0.206 175 K C 2.132 178.719 176.600 -0.021 0.000 1.050 175 K CA 1.537 57.793 56.287 -0.051 0.000 0.935 175 K CB -0.354 32.117 32.500 -0.048 0.000 0.715 175 K HN 0.469 nan 8.250 nan 0.000 0.439 176 M N 1.073 120.671 119.600 -0.003 0.000 2.159 176 M HA -0.114 4.369 4.480 0.004 0.000 0.263 176 M C 2.158 178.487 176.300 0.049 0.000 1.063 176 M CA 1.422 56.745 55.300 0.037 0.000 1.110 176 M CB -0.875 31.776 32.600 0.084 0.000 1.374 176 M HN 0.020 nan 8.290 nan 0.000 0.411 177 S N 1.597 117.316 115.700 0.031 0.000 2.423 177 S HA -0.115 4.358 4.470 0.004 0.000 0.238 177 S C 1.928 176.535 174.600 0.011 0.000 1.028 177 S CA 1.171 59.390 58.200 0.032 0.000 1.000 177 S CB -0.622 62.549 63.200 -0.048 0.000 0.797 177 S HN 0.472 nan 8.310 nan 0.000 0.487 178 L N 1.168 122.387 121.223 -0.006 0.000 2.395 178 L HA 0.070 4.412 4.340 0.004 0.000 0.218 178 L C 0.203 177.073 176.870 -0.001 0.000 1.130 178 L CA 0.194 55.029 54.840 -0.007 0.000 0.826 178 L CB -0.366 41.684 42.059 -0.014 0.000 0.941 178 L HN 0.121 nan 8.230 nan 0.000 0.451 179 V N 1.423 121.340 119.914 0.004 0.000 2.432 179 V HA 0.162 4.285 4.120 0.004 0.000 0.271 179 V C 0.067 176.154 176.094 -0.012 0.000 1.046 179 V CA -0.353 61.945 62.300 -0.004 0.000 0.945 179 V CB 0.907 32.729 31.823 -0.001 0.000 0.992 179 V HN 0.182 nan 8.190 nan 0.000 0.471 180 K N 6.529 126.915 120.400 -0.024 0.000 2.376 180 K HA 0.511 4.834 4.320 0.004 0.000 0.257 180 K C -2.743 173.826 176.600 -0.052 0.000 0.939 180 K CA -1.696 54.575 56.287 -0.027 0.000 0.809 180 K CB 2.408 34.899 32.500 -0.016 0.000 1.121 180 K HN 0.388 nan 8.250 nan 0.000 0.425 181 P HA 0.151 nan 4.420 nan 0.000 0.275 181 P C -0.322 176.943 177.300 -0.059 0.000 1.227 181 P CA -0.351 62.703 63.100 -0.075 0.000 0.781 181 P CB 0.663 32.330 31.700 -0.055 0.000 0.906 182 L N 4.542 125.698 121.223 -0.112 0.000 2.467 182 L HA 0.198 4.541 4.340 0.004 0.000 0.270 182 L C -1.838 175.101 176.870 0.114 0.000 1.205 182 L CA -1.893 52.916 54.840 -0.052 0.000 0.828 182 L CB -0.617 41.305 42.059 -0.229 0.000 1.101 182 L HN 0.224 nan 8.230 nan 0.000 0.479 183 P HA 0.037 nan 4.420 nan 0.000 0.268 183 P C -0.536 176.927 177.300 0.272 0.000 1.208 183 P CA 0.035 63.227 63.100 0.154 0.000 0.777 183 P CB 0.964 32.732 31.700 0.113 0.000 0.875 184 S N 0.889 116.704 115.700 0.191 0.000 2.900 184 S HA 0.661 5.134 4.470 0.004 0.000 0.320 184 S C -0.953 173.704 174.600 0.094 0.000 1.130 184 S CA -0.871 57.453 58.200 0.206 0.000 0.863 184 S CB 0.542 63.848 63.200 0.177 0.000 1.295 184 S HN 0.225 nan 8.310 nan 0.000 0.596 185 I N 2.325 122.939 120.570 0.073 0.000 2.339 185 I HA 0.337 4.510 4.170 0.004 0.000 0.290 185 I C -1.282 174.817 176.117 -0.031 0.000 0.994 185 I CA -0.499 60.742 61.300 -0.099 0.000 1.191 185 I CB 1.300 39.105 38.000 -0.325 0.000 1.343 185 I HN 0.628 nan 8.210 nan 0.000 0.458 186 Y N 7.574 127.811 120.300 -0.105 0.000 2.388 186 Y HA 0.436 4.988 4.550 0.004 0.000 0.328 186 Y C -1.304 174.687 175.900 0.152 0.000 0.963 186 Y CA -0.704 57.388 58.100 -0.013 0.000 1.240 186 Y CB 0.719 39.205 38.460 0.044 0.000 1.118 186 Y HN 0.425 nan 8.280 nan 0.000 0.484 187 Y N 8.294 128.439 120.300 -0.258 0.000 2.356 187 Y HA 0.243 4.796 4.550 0.004 0.000 0.334 187 Y C -1.798 173.910 175.900 -0.321 0.000 0.958 187 Y CA -2.617 55.333 58.100 -0.250 0.000 1.196 187 Y CB 1.444 39.925 38.460 0.034 0.000 1.137 187 Y HN 0.613 nan 8.280 nan 0.000 0.485 188 P HA -0.233 nan 4.420 nan 0.000 0.215 188 P C 0.527 177.839 177.300 0.021 0.000 1.163 188 P CA 1.984 64.912 63.100 -0.287 0.000 0.894 188 P CB 0.225 31.811 31.700 -0.190 0.000 0.791 189 D N -1.364 119.060 120.400 0.040 0.000 2.271 189 D HA -0.194 4.449 4.640 0.004 0.000 0.207 189 D C 1.149 177.365 176.300 -0.139 0.000 0.983 189 D CA 1.094 55.045 54.000 -0.081 0.000 0.878 189 D CB -1.149 39.526 40.800 -0.207 0.000 0.920 189 D HN 0.289 nan 8.370 nan 0.000 0.479 190 F N 0.224 120.202 119.950 0.048 0.000 2.776 190 F HA 0.279 4.808 4.527 0.004 0.000 0.300 190 F C 1.103 176.951 175.800 0.081 0.000 1.116 190 F CA -0.247 57.791 58.000 0.065 0.000 1.375 190 F CB -0.040 39.004 39.000 0.074 0.000 1.109 190 F HN -0.033 nan 8.300 nan 0.000 0.585 191 I N -3.282 117.442 120.570 0.255 0.000 3.239 191 I HA 0.809 4.982 4.170 0.004 0.000 0.314 191 I C 0.042 176.235 176.117 0.126 0.000 1.126 191 I CA -2.024 59.395 61.300 0.198 0.000 0.973 191 I CB 1.046 39.185 38.000 0.232 0.000 1.252 191 I HN -0.268 nan 8.210 nan 0.000 0.463 192 A N 1.437 124.300 122.820 0.072 0.000 2.565 192 A HA 0.381 4.704 4.320 0.004 0.000 0.237 192 A C 1.426 179.020 177.584 0.016 0.000 1.053 192 A CA 0.478 52.517 52.037 0.002 0.000 0.755 192 A CB 0.049 18.996 19.000 -0.089 0.000 0.980 192 A HN 1.180 nan 8.150 nan 0.000 0.506 193 A N 2.608 125.429 122.820 0.002 0.000 2.084 193 A HA -0.208 4.115 4.320 0.004 0.000 0.221 193 A C 1.563 179.167 177.584 0.032 0.000 1.161 193 A CA 1.963 54.019 52.037 0.031 0.000 0.653 193 A CB -0.776 18.232 19.000 0.014 0.000 0.802 193 A HN 1.154 nan 8.150 nan 0.000 0.457 194 N N -0.954 117.722 118.700 -0.040 0.000 2.449 194 N HA -0.035 4.707 4.740 0.004 0.000 0.191 194 N C 0.987 176.524 175.510 0.045 0.000 1.161 194 N CA 0.530 53.561 53.050 -0.031 0.000 0.863 194 N CB -0.134 38.214 38.487 -0.233 0.000 0.980 194 N HN 0.399 nan 8.380 nan 0.000 0.458 195 Q N -0.075 119.756 119.800 0.051 0.000 2.392 195 Q HA 0.056 4.398 4.340 0.004 0.000 0.203 195 Q C -0.442 175.559 176.000 0.000 0.000 0.917 195 Q CA 0.179 56.010 55.803 0.046 0.000 0.939 195 Q CB -0.009 28.770 28.738 0.068 0.000 1.063 195 Q HN 0.454 nan 8.270 nan 0.000 0.516 196 D N 2.328 122.774 120.400 0.077 0.000 2.417 196 D HA 0.042 4.685 4.640 0.004 0.000 0.250 196 D C -0.137 176.171 176.300 0.014 0.000 1.166 196 D CA 0.591 54.631 54.000 0.067 0.000 0.881 196 D CB 0.462 41.356 40.800 0.158 0.000 1.164 196 D HN -0.078 nan 8.370 nan 0.000 0.467 197 E N 3.474 123.647 120.200 -0.045 0.000 4.459 197 E HA -0.165 4.188 4.350 0.004 0.000 0.192 197 E C -0.469 176.100 176.600 -0.052 0.000 1.233 197 E CA 0.363 56.746 56.400 -0.028 0.000 1.053 197 E CB -1.470 28.238 29.700 0.013 0.000 1.053 197 E HN 0.899 nan 8.360 nan 0.000 0.399 198 R N 0.650 121.087 120.500 -0.104 0.000 1.667 198 R HA 0.095 4.437 4.340 0.004 0.000 0.031 198 R C 0.061 176.262 176.300 -0.165 0.000 0.819 198 R CA 0.498 56.536 56.100 -0.104 0.000 3.436 198 R CB -0.767 29.473 30.300 -0.099 0.000 0.822 198 R HN 0.330 nan 8.270 nan 0.000 0.571 199 A N 2.780 125.432 122.820 -0.280 0.000 3.076 199 A HA 0.061 4.384 4.320 0.004 0.000 0.269 199 A C 0.249 177.733 177.584 -0.167 0.000 1.916 199 A CA 0.561 52.366 52.037 -0.387 0.000 1.492 199 A CB -1.461 17.021 19.000 -0.863 0.000 1.000 199 A HN 0.603 nan 8.150 nan 0.000 0.615 200 N N -0.565 118.075 118.700 -0.101 0.000 2.282 200 N HA 0.089 4.832 4.740 0.004 0.000 0.240 200 N C -0.075 175.426 175.510 -0.015 0.000 1.182 200 N CA -0.337 52.690 53.050 -0.039 0.000 0.874 200 N CB 0.187 38.657 38.487 -0.028 0.000 1.126 200 N HN 0.517 nan 8.380 nan 0.000 0.516 201 N N 0.662 119.353 118.700 -0.015 0.000 2.646 201 N HA 0.205 4.947 4.740 0.004 0.000 0.296 201 N C -1.151 174.385 175.510 0.043 0.000 1.886 201 N CA -0.531 52.529 53.050 0.015 0.000 0.855 201 N CB 0.544 39.037 38.487 0.010 0.000 1.336 201 N HN 0.188 nan 8.380 nan 0.000 0.496 202 C N 0.654 119.987 119.300 0.056 0.000 2.382 202 C HA 0.399 4.862 4.460 0.004 0.000 0.363 202 C C 2.120 177.147 174.990 0.062 0.000 1.213 202 C CA -0.720 58.346 59.018 0.079 0.000 2.363 202 C CB 0.288 28.103 27.740 0.125 0.000 2.397 202 C HN 0.566 nan 8.230 nan 0.000 0.573 203 I N 0.055 120.646 120.570 0.034 0.000 4.035 203 I HA 0.137 4.309 4.170 0.004 0.000 0.321 203 I C 0.647 176.762 176.117 -0.002 0.000 1.289 203 I CA 0.240 61.559 61.300 0.031 0.000 1.236 203 I CB -0.385 37.638 38.000 0.038 0.000 1.076 203 I HN 0.701 nan 8.210 nan 0.000 0.418 204 N N 4.062 122.704 118.700 -0.097 0.000 3.050 204 N HA 0.243 4.986 4.740 0.004 0.000 0.289 204 N C -0.789 174.750 175.510 0.049 0.000 1.209 204 N CA 0.014 52.973 53.050 -0.152 0.000 1.154 204 N CB 0.323 38.554 38.487 -0.426 0.000 1.444 204 N HN 0.466 nan 8.380 nan 0.000 0.529 205 L N 1.062 122.335 121.223 0.083 0.000 2.296 205 L HA 0.288 4.630 4.340 0.004 0.000 0.286 205 L C 0.671 177.595 176.870 0.089 0.000 1.023 205 L CA -1.117 53.775 54.840 0.086 0.000 0.812 205 L CB 1.193 43.295 42.059 0.072 0.000 1.223 205 L HN 0.264 nan 8.230 nan 0.000 0.421 206 D N 1.615 122.062 120.400 0.078 0.000 2.158 206 D HA -0.048 4.595 4.640 0.004 0.000 0.275 206 D C 0.826 177.158 176.300 0.054 0.000 1.170 206 D CA -0.042 53.998 54.000 0.067 0.000 1.007 206 D CB 0.362 41.195 40.800 0.055 0.000 1.144 206 D HN 0.340 nan 8.370 nan 0.000 0.509 207 E N -0.955 119.271 120.200 0.044 0.000 2.338 207 E HA -0.039 4.314 4.350 0.004 0.000 0.197 207 E C -0.106 176.515 176.600 0.035 0.000 1.007 207 E CA 0.876 57.299 56.400 0.037 0.000 0.849 207 E CB -0.230 29.489 29.700 0.031 0.000 0.774 207 E HN 0.347 nan 8.360 nan 0.000 0.506 208 K N -2.454 117.969 120.400 0.038 0.000 3.002 208 K HA 0.149 4.472 4.320 0.004 0.000 0.504 208 K C -0.065 176.557 176.600 0.036 0.000 1.288 208 K CA 0.682 56.990 56.287 0.036 0.000 1.042 208 K CB -0.328 32.191 32.500 0.031 0.000 1.524 208 K HN 0.084 nan 8.250 nan 0.000 0.421 209 G N 2.425 111.250 108.800 0.041 0.000 3.345 209 G HA2 -0.051 3.911 3.960 0.004 0.000 0.199 209 G HA3 -0.051 3.911 3.960 0.004 0.000 0.199 209 G C 0.244 175.175 174.900 0.053 0.000 1.057 209 G CA 0.543 45.668 45.100 0.042 0.000 0.865 209 G HN 0.904 nan 8.290 nan 0.000 0.449 210 N N -1.149 117.584 118.700 0.057 0.000 1.935 210 N HA -0.195 4.547 4.740 0.004 0.000 0.225 210 N C 0.422 175.982 175.510 0.083 0.000 0.799 210 N CA 0.730 53.822 53.050 0.070 0.000 1.427 210 N CB -1.365 37.167 38.487 0.076 0.000 1.751 210 N HN 1.101 nan 8.380 nan 0.000 0.362 211 V N 1.976 121.954 119.914 0.107 0.000 2.814 211 V HA 0.159 4.281 4.120 0.004 0.000 0.298 211 V C 0.757 176.897 176.094 0.077 0.000 1.195 211 V CA 1.982 64.355 62.300 0.121 0.000 1.323 211 V CB -0.531 31.397 31.823 0.174 0.000 0.842 211 V HN 0.727 nan 8.190 nan 0.000 0.494 212 T N 3.009 117.606 114.554 0.072 0.000 3.047 212 T HA 0.335 4.687 4.350 0.004 0.000 0.340 212 T C 0.445 175.160 174.700 0.026 0.000 1.421 212 T CA 0.003 62.128 62.100 0.042 0.000 1.090 212 T CB 1.584 70.488 68.868 0.060 0.000 1.292 212 T HN 0.856 nan 8.240 nan 0.000 0.480 213 T N 1.031 115.532 114.554 -0.088 0.000 3.144 213 T HA 0.257 4.610 4.350 0.004 0.000 0.249 213 T C 0.759 175.396 174.700 -0.105 0.000 1.089 213 T CA -0.279 61.657 62.100 -0.274 0.000 0.989 213 T CB -0.162 68.441 68.868 -0.441 0.000 0.992 213 T HN 0.567 nan 8.240 nan 0.000 0.540 214 R N 0.854 121.350 120.500 -0.006 0.000 2.441 214 R HA 0.468 4.811 4.340 0.004 0.000 0.284 214 R C 0.877 177.156 176.300 -0.034 0.000 1.070 214 R CA 0.768 56.858 56.100 -0.015 0.000 1.047 214 R CB -0.040 30.262 30.300 0.003 0.000 1.016 214 R HN 0.379 nan 8.270 nan 0.000 0.477 215 G N 3.213 111.930 108.800 -0.139 0.000 2.165 215 G HA2 -0.237 3.725 3.960 0.004 0.000 0.226 215 G HA3 -0.237 3.725 3.960 0.004 0.000 0.226 215 G C 0.428 174.871 174.900 -0.763 0.000 1.035 215 G CA 0.289 45.197 45.100 -0.320 0.000 0.744 215 G HN 0.756 nan 8.290 nan 0.000 0.501 216 K N -1.092 119.078 120.400 -0.384 0.000 2.147 216 K HA -0.080 4.242 4.320 0.004 0.000 0.205 216 K C 2.025 178.549 176.600 -0.127 0.000 1.049 216 K CA 1.279 57.434 56.287 -0.220 0.000 0.936 216 K CB -0.048 32.481 32.500 0.049 0.000 0.722 216 K HN 0.626 nan 8.250 nan 0.000 0.446 217 W N 2.417 123.604 121.300 -0.187 0.000 2.381 217 W HA -0.202 4.460 4.660 0.004 0.000 0.301 217 W C 2.050 178.505 176.519 -0.107 0.000 1.205 217 W CA 2.250 59.528 57.345 -0.112 0.000 1.285 217 W CB -0.234 29.176 29.460 -0.082 0.000 1.133 217 W HN 0.205 nan 8.180 nan 0.000 0.521 218 T N -2.155 112.312 114.554 -0.144 0.000 2.746 218 T HA -0.270 4.083 4.350 0.004 0.000 0.267 218 T C 1.467 176.094 174.700 -0.122 0.000 1.039 218 T CA 1.938 63.958 62.100 -0.132 0.000 1.142 218 T CB -1.169 67.673 68.868 -0.044 0.000 0.866 218 T HN 0.363 nan 8.240 nan 0.000 0.444 219 H N 0.899 119.911 119.070 -0.097 0.000 2.289 219 H HA -0.029 4.529 4.556 0.004 0.000 0.296 219 H C 2.442 177.607 175.328 -0.271 0.000 1.091 219 H CA 1.121 57.090 56.048 -0.132 0.000 1.274 219 H CB -0.264 29.463 29.762 -0.059 0.000 1.364 219 H HN 0.112 nan 8.280 nan 0.000 0.490 220 L N 1.410 122.482 121.223 -0.252 0.000 1.990 220 L HA -0.249 4.094 4.340 0.004 0.000 0.213 220 L C 2.036 178.657 176.870 -0.415 0.000 1.072 220 L CA 1.742 56.324 54.840 -0.430 0.000 0.755 220 L CB -1.028 40.634 42.059 -0.662 0.000 0.889 220 L HN 0.373 nan 8.230 nan 0.000 0.432 221 Q N -0.451 119.063 119.800 -0.476 0.000 2.112 221 Q HA -0.267 4.076 4.340 0.004 0.000 0.206 221 Q C 2.304 178.217 176.000 -0.146 0.000 0.987 221 Q CA 1.877 57.494 55.803 -0.310 0.000 0.858 221 Q CB -0.600 27.985 28.738 -0.254 0.000 0.905 221 Q HN 0.413 nan 8.270 nan 0.000 0.420 222 R N 1.235 121.671 120.500 -0.106 0.000 2.066 222 R HA -0.069 4.273 4.340 0.004 0.000 0.232 222 R C 2.153 178.454 176.300 0.001 0.000 1.131 222 R CA 1.177 57.265 56.100 -0.021 0.000 0.955 222 R CB -0.753 29.558 30.300 0.018 0.000 0.851 222 R HN 0.209 nan 8.270 nan 0.000 0.432 223 I N 1.000 121.510 120.570 -0.100 0.000 2.208 223 I HA -0.263 3.910 4.170 0.004 0.000 0.245 223 I C 2.213 178.367 176.117 0.061 0.000 1.097 223 I CA 1.489 62.754 61.300 -0.060 0.000 1.363 223 I CB -1.007 36.710 38.000 -0.471 0.000 1.051 223 I HN 0.221 nan 8.210 nan 0.000 0.413 224 R N 0.112 120.593 120.500 -0.032 0.000 2.083 224 R HA -0.148 4.195 4.340 0.004 0.000 0.237 224 R C 2.452 178.794 176.300 0.069 0.000 1.137 224 R CA 0.924 57.035 56.100 0.018 0.000 0.951 224 R CB -0.389 29.885 30.300 -0.042 0.000 0.851 224 R HN 0.188 nan 8.270 nan 0.000 0.434 225 R N 1.232 121.763 120.500 0.051 0.000 2.105 225 R HA -0.124 4.218 4.340 0.004 0.000 0.239 225 R C 1.444 177.812 176.300 0.114 0.000 1.135 225 R CA 1.542 57.685 56.100 0.071 0.000 0.967 225 R CB -0.647 29.684 30.300 0.051 0.000 0.861 225 R HN 0.269 nan 8.270 nan 0.000 0.442 226 D N 0.213 120.713 120.400 0.167 0.000 2.104 226 D HA -0.157 4.485 4.640 0.004 0.000 0.194 226 D C 2.040 178.460 176.300 0.199 0.000 0.994 226 D CA 1.185 55.303 54.000 0.197 0.000 0.830 226 D CB -0.261 40.753 40.800 0.356 0.000 0.959 226 D HN 0.247 nan 8.370 nan 0.000 0.452 227 I N 0.721 121.448 120.570 0.262 0.000 2.163 227 I HA -0.309 3.863 4.170 0.004 0.000 0.243 227 I C 2.540 178.783 176.117 0.209 0.000 1.085 227 I CA 1.234 62.688 61.300 0.256 0.000 1.347 227 I CB -0.238 37.914 38.000 0.253 0.000 1.044 227 I HN -0.041 nan 8.210 nan 0.000 0.408 228 Q N 0.603 120.487 119.800 0.140 0.000 2.030 228 Q HA -0.236 4.106 4.340 0.004 0.000 0.204 228 Q C 2.021 178.066 176.000 0.075 0.000 0.986 228 Q CA 2.209 58.065 55.803 0.087 0.000 0.843 228 Q CB -0.326 28.450 28.738 0.062 0.000 0.904 228 Q HN 0.552 nan 8.270 nan 0.000 0.420 229 N N -0.325 118.426 118.700 0.085 0.000 2.061 229 N HA -0.215 4.528 4.740 0.004 0.000 0.193 229 N C 1.606 177.148 175.510 0.055 0.000 1.030 229 N CA 1.168 54.254 53.050 0.061 0.000 0.856 229 N CB -0.255 38.271 38.487 0.066 0.000 1.023 229 N HN 0.148 nan 8.380 nan 0.000 0.424 230 F N 2.264 122.190 119.950 -0.040 0.000 2.126 230 F HA -0.135 4.394 4.527 0.004 0.000 0.299 230 F C 2.227 178.000 175.800 -0.045 0.000 1.096 230 F CA 1.421 59.381 58.000 -0.067 0.000 1.255 230 F CB -0.154 38.776 39.000 -0.117 0.000 0.997 230 F HN -0.152 nan 8.300 nan 0.000 0.479 231 K N 0.270 120.578 120.400 -0.155 0.000 2.009 231 K HA -0.257 4.065 4.320 0.004 0.000 0.210 231 K C 2.140 178.611 176.600 -0.216 0.000 1.049 231 K CA 2.262 58.417 56.287 -0.220 0.000 0.929 231 K CB -0.306 32.176 32.500 -0.030 0.000 0.714 231 K HN 0.591 nan 8.250 nan 0.000 0.440 232 E N 0.331 120.458 120.200 -0.122 0.000 2.072 232 E HA -0.197 4.155 4.350 0.004 0.000 0.191 232 E C 1.704 178.236 176.600 -0.113 0.000 0.985 232 E CA 1.138 57.483 56.400 -0.091 0.000 0.801 232 E CB -0.246 29.426 29.700 -0.046 0.000 0.750 232 E HN 0.353 nan 8.360 nan 0.000 0.452 233 E N 0.761 120.882 120.200 -0.132 0.000 2.160 233 E HA -0.106 4.247 4.350 0.004 0.000 0.195 233 E C 1.346 177.848 176.600 -0.162 0.000 0.991 233 E CA 0.987 57.314 56.400 -0.121 0.000 0.810 233 E CB -0.063 29.579 29.700 -0.097 0.000 0.742 233 E HN 0.333 nan 8.360 nan 0.000 0.466 234 N N -0.608 117.932 118.700 -0.267 0.000 2.187 234 N HA 0.174 4.916 4.740 0.004 0.000 0.212 234 N C -0.211 175.191 175.510 -0.180 0.000 1.152 234 N CA 0.605 53.503 53.050 -0.253 0.000 0.872 234 N CB 1.394 39.616 38.487 -0.442 0.000 1.025 234 N HN 0.018 nan 8.380 nan 0.000 0.514 235 A N 0.758 123.487 122.820 -0.152 0.000 2.739 235 A HA -0.187 4.135 4.320 0.004 0.000 0.296 235 A C -0.526 176.997 177.584 -0.101 0.000 1.488 235 A CA 0.598 52.575 52.037 -0.100 0.000 0.746 235 A CB -1.913 17.045 19.000 -0.070 0.000 1.047 235 A HN 0.153 nan 8.150 nan 0.000 0.477 236 L N -0.224 120.917 121.223 -0.135 0.000 2.334 236 L HA 0.621 4.963 4.340 0.004 0.000 0.273 236 L C 0.956 177.784 176.870 -0.070 0.000 1.013 236 L CA -0.114 54.661 54.840 -0.108 0.000 0.816 236 L CB 1.506 43.466 42.059 -0.166 0.000 1.278 236 L HN 0.369 nan 8.230 nan 0.000 0.431 237 D N 0.339 120.716 120.400 -0.038 0.000 2.379 237 D HA 0.092 4.734 4.640 0.004 0.000 0.218 237 D C 0.113 176.410 176.300 -0.006 0.000 1.006 237 D CA 0.731 54.718 54.000 -0.022 0.000 0.893 237 D CB 0.864 41.652 40.800 -0.019 0.000 1.019 237 D HN 0.343 nan 8.370 nan 0.000 0.503 238 K N 1.008 121.409 120.400 0.002 0.000 2.292 238 K HA 0.588 4.910 4.320 0.004 0.000 0.257 238 K C -0.948 175.678 176.600 0.044 0.000 0.940 238 K CA -0.574 55.723 56.287 0.018 0.000 0.811 238 K CB 3.380 35.887 32.500 0.012 0.000 1.120 238 K HN -0.242 nan 8.250 nan 0.000 0.428 239 V N 4.202 124.155 119.914 0.065 0.000 2.789 239 V HA 0.511 4.634 4.120 0.004 0.000 0.311 239 V C -0.639 175.495 176.094 0.066 0.000 1.073 239 V CA -0.876 61.486 62.300 0.103 0.000 0.921 239 V CB 2.237 34.181 31.823 0.201 0.000 1.009 239 V HN 0.649 nan 8.190 nan 0.000 0.426 240 I N 3.410 123.992 120.570 0.019 0.000 2.465 240 I HA 0.496 4.669 4.170 0.004 0.000 0.291 240 I C -0.652 175.473 176.117 0.013 0.000 1.014 240 I CA -0.864 60.444 61.300 0.012 0.000 1.093 240 I CB 2.213 40.182 38.000 -0.050 0.000 1.267 240 I HN 0.258 nan 8.210 nan 0.000 0.431 241 V N 7.122 127.086 119.914 0.083 0.000 2.439 241 V HA 0.424 4.547 4.120 0.004 0.000 0.282 241 V C -0.324 175.692 176.094 -0.130 0.000 1.039 241 V CA -0.519 61.841 62.300 0.100 0.000 0.913 241 V CB 1.759 33.779 31.823 0.328 0.000 0.983 241 V HN 0.465 nan 8.190 nan 0.000 0.460 242 L N 5.365 126.495 121.223 -0.156 0.000 2.406 242 L HA 0.521 4.864 4.340 0.004 0.000 0.272 242 L C -0.996 175.752 176.870 -0.203 0.000 0.980 242 L CA -0.395 54.300 54.840 -0.241 0.000 0.831 242 L CB 1.385 43.347 42.059 -0.163 0.000 1.253 242 L HN 0.802 nan 8.230 nan 0.000 0.406 243 W N 5.438 126.502 121.300 -0.395 0.000 2.388 243 W HA 0.324 4.987 4.660 0.004 0.000 0.308 243 W C -0.455 175.956 176.519 -0.179 0.000 1.263 243 W CA -0.153 57.028 57.345 -0.274 0.000 1.286 243 W CB 1.381 30.708 29.460 -0.221 0.000 1.294 243 W HN 0.625 nan 8.180 nan 0.000 0.493 244 T N 4.711 118.949 114.554 -0.526 0.000 3.748 244 T HA 0.474 4.827 4.350 0.004 0.000 0.281 244 T C -0.129 174.301 174.700 -0.450 0.000 0.977 244 T CA -0.010 61.905 62.100 -0.308 0.000 1.056 244 T CB -0.889 67.874 68.868 -0.174 0.000 1.138 244 T HN 0.464 nan 8.240 nan 0.000 0.498 245 A N 1.226 123.523 122.820 -0.872 0.000 2.298 245 A HA 0.675 4.997 4.320 0.004 0.000 0.302 245 A C 0.189 177.706 177.584 -0.111 0.000 1.177 245 A CA -0.824 50.827 52.037 -0.642 0.000 0.912 245 A CB 0.374 18.692 19.000 -1.136 0.000 1.331 245 A HN 0.716 nan 8.150 nan 0.000 0.504 246 N N 0.540 119.243 118.700 0.005 0.000 2.454 246 N HA 0.119 4.862 4.740 0.004 0.000 0.260 246 N C -0.525 175.161 175.510 0.293 0.000 1.218 246 N CA 0.173 53.302 53.050 0.132 0.000 0.904 246 N CB 0.195 38.751 38.487 0.115 0.000 1.065 246 N HN 0.554 nan 8.380 nan 0.000 0.462 247 T N 2.356 117.045 114.554 0.224 0.000 2.765 247 T HA -0.080 4.272 4.350 0.004 0.000 0.275 247 T C 0.456 175.259 174.700 0.171 0.000 1.007 247 T CA 0.674 62.884 62.100 0.184 0.000 1.175 247 T CB 0.055 68.997 68.868 0.123 0.000 0.993 247 T HN 0.413 nan 8.240 nan 0.000 0.510 248 E N 1.605 121.880 120.200 0.125 0.000 2.267 248 E HA 0.356 4.708 4.350 0.004 0.000 0.258 248 E C 0.416 177.111 176.600 0.158 0.000 1.074 248 E CA -1.059 55.432 56.400 0.151 0.000 0.915 248 E CB 0.840 30.590 29.700 0.083 0.000 1.186 248 E HN 0.583 nan 8.360 nan 0.000 0.439 249 R N 0.899 121.522 120.500 0.205 0.000 2.340 249 R HA 0.183 4.526 4.340 0.004 0.000 0.300 249 R C -0.810 175.630 176.300 0.235 0.000 1.069 249 R CA -0.578 55.630 56.100 0.179 0.000 0.984 249 R CB 0.178 30.532 30.300 0.090 0.000 1.003 249 R HN 0.417 nan 8.270 nan 0.000 0.459 250 Y N 2.030 122.345 120.300 0.026 0.000 2.986 250 Y HA -0.093 4.460 4.550 0.004 0.000 0.342 250 Y C 0.951 176.881 175.900 0.050 0.000 1.275 250 Y CA 0.331 58.441 58.100 0.017 0.000 1.527 250 Y CB 0.449 38.907 38.460 -0.003 0.000 1.296 250 Y HN 0.528 nan 8.280 nan 0.000 0.628 251 V N 0.740 120.748 119.914 0.156 0.000 2.713 251 V HA 0.429 4.551 4.120 0.004 0.000 0.307 251 V C -0.094 176.084 176.094 0.140 0.000 1.052 251 V CA -1.406 60.991 62.300 0.161 0.000 0.967 251 V CB 1.797 33.720 31.823 0.168 0.000 1.019 251 V HN 0.704 nan 8.190 nan 0.000 0.459 252 E N 1.728 121.999 120.200 0.119 0.000 2.257 252 E HA 0.286 4.638 4.350 0.004 0.000 0.278 252 E C -0.996 175.659 176.600 0.091 0.000 1.049 252 E CA -0.298 56.162 56.400 0.101 0.000 0.876 252 E CB 1.689 31.437 29.700 0.079 0.000 1.035 252 E HN 0.683 nan 8.360 nan 0.000 0.419 253 V N 4.317 124.277 119.914 0.077 0.000 2.387 253 V HA 0.079 4.201 4.120 0.004 0.000 0.260 253 V C 0.027 176.148 176.094 0.045 0.000 1.054 253 V CA 0.118 62.451 62.300 0.055 0.000 0.967 253 V CB 0.924 32.779 31.823 0.052 0.000 1.036 253 V HN 0.522 nan 8.190 nan 0.000 0.481 254 S N 7.165 122.883 115.700 0.031 0.000 2.536 254 S HA 0.506 4.979 4.470 0.004 0.000 0.298 254 S C -2.551 172.047 174.600 -0.004 0.000 1.083 254 S CA -1.117 57.096 58.200 0.021 0.000 0.995 254 S CB 2.254 65.476 63.200 0.037 0.000 1.058 254 S HN 0.612 nan 8.310 nan 0.000 0.488 255 P HA 0.214 nan 4.420 nan 0.000 0.259 255 P C 0.555 177.843 177.300 -0.021 0.000 1.635 255 P CA 0.477 63.573 63.100 -0.006 0.000 1.199 255 P CB -0.426 31.276 31.700 0.003 0.000 1.850 256 G N 1.349 110.124 108.800 -0.042 0.000 2.902 256 G HA2 -0.175 3.787 3.960 0.004 0.000 0.215 256 G HA3 -0.175 3.787 3.960 0.004 0.000 0.215 256 G C 0.374 175.204 174.900 -0.116 0.000 0.976 256 G CA 0.211 45.276 45.100 -0.059 0.000 0.794 256 G HN 0.452 nan 8.290 nan 0.000 0.557 257 V N -0.349 119.470 119.914 -0.158 0.000 2.854 257 V HA 0.426 4.549 4.120 0.004 0.000 0.236 257 V C 0.868 176.859 176.094 -0.171 0.000 1.157 257 V CA 1.811 63.933 62.300 -0.298 0.000 1.187 257 V CB 0.027 31.471 31.823 -0.632 0.000 0.949 257 V HN 0.602 nan 8.190 nan 0.000 0.488 258 N N -0.359 118.283 118.700 -0.097 0.000 2.536 258 N HA 0.161 4.903 4.740 0.004 0.000 0.286 258 N C -0.163 175.341 175.510 -0.010 0.000 1.577 258 N CA 0.397 53.425 53.050 -0.038 0.000 0.883 258 N CB 0.472 38.950 38.487 -0.015 0.000 1.390 258 N HN 0.547 nan 8.380 nan 0.000 0.491 259 D N -0.328 120.063 120.400 -0.014 0.000 2.301 259 D HA -0.008 4.634 4.640 0.004 0.000 0.206 259 D C 0.467 176.773 176.300 0.009 0.000 0.979 259 D CA 0.912 54.914 54.000 0.003 0.000 0.874 259 D CB 0.234 41.034 40.800 0.001 0.000 0.968 259 D HN 0.161 nan 8.370 nan 0.000 0.510 260 T N -0.901 113.653 114.554 -0.001 0.000 2.903 260 T HA 0.336 4.689 4.350 0.004 0.000 0.299 260 T C 0.718 175.418 174.700 0.000 0.000 1.093 260 T CA -0.670 61.432 62.100 0.003 0.000 1.002 260 T CB 1.461 70.326 68.868 -0.005 0.000 1.127 260 T HN -0.028 nan 8.240 nan 0.000 0.488 261 M N 2.298 121.901 119.600 0.006 0.000 2.151 261 M HA -0.215 4.268 4.480 0.004 0.000 0.256 261 M C 1.599 177.893 176.300 -0.011 0.000 1.072 261 M CA 2.527 57.830 55.300 0.005 0.000 1.090 261 M CB -0.279 32.317 32.600 -0.007 0.000 1.294 261 M HN 0.763 nan 8.290 nan 0.000 0.415 262 E N 0.742 120.922 120.200 -0.033 0.000 2.085 262 E HA -0.168 4.184 4.350 0.004 0.000 0.194 262 E C 1.647 178.223 176.600 -0.041 0.000 0.994 262 E CA 2.117 58.491 56.400 -0.044 0.000 0.801 262 E CB -0.546 29.123 29.700 -0.051 0.000 0.743 262 E HN 0.710 nan 8.360 nan 0.000 0.453 263 N N -0.108 118.571 118.700 -0.036 0.000 2.058 263 N HA -0.156 4.587 4.740 0.004 0.000 0.191 263 N C 1.738 177.222 175.510 -0.043 0.000 1.037 263 N CA 0.722 53.743 53.050 -0.048 0.000 0.848 263 N CB -0.156 38.300 38.487 -0.052 0.000 1.021 263 N HN 0.005 nan 8.380 nan 0.000 0.422 264 L N 1.926 123.137 121.223 -0.020 0.000 1.941 264 L HA -0.194 4.148 4.340 0.004 0.000 0.224 264 L C 1.980 178.874 176.870 0.041 0.000 1.081 264 L CA 1.593 56.437 54.840 0.007 0.000 0.784 264 L CB -0.814 41.261 42.059 0.025 0.000 0.894 264 L HN 0.224 nan 8.230 nan 0.000 0.436 265 L N -0.849 120.412 121.223 0.063 0.000 2.369 265 L HA -0.272 4.070 4.340 0.004 0.000 0.220 265 L C 2.448 179.320 176.870 0.004 0.000 1.119 265 L CA 1.470 56.382 54.840 0.119 0.000 0.780 265 L CB -0.473 41.645 42.059 0.098 0.000 0.906 265 L HN 0.566 nan 8.230 nan 0.000 0.442 266 Q N -0.842 118.935 119.800 -0.038 0.000 2.324 266 Q HA -0.038 4.304 4.340 0.004 0.000 0.207 266 Q C 2.201 178.183 176.000 -0.031 0.000 0.928 266 Q CA 1.249 57.001 55.803 -0.085 0.000 0.890 266 Q CB 0.153 28.834 28.738 -0.095 0.000 1.001 266 Q HN 0.240 nan 8.270 nan 0.000 0.517 267 S N 0.584 116.275 115.700 -0.015 0.000 2.402 267 S HA -0.151 4.321 4.470 0.004 0.000 0.233 267 S C 1.750 176.409 174.600 0.098 0.000 1.030 267 S CA 1.366 59.576 58.200 0.017 0.000 1.003 267 S CB -0.344 62.813 63.200 -0.072 0.000 0.813 267 S HN 0.392 nan 8.310 nan 0.000 0.477 268 I N 1.501 122.142 120.570 0.118 0.000 2.072 268 I HA -0.227 3.945 4.170 0.004 0.000 0.235 268 I C 2.366 178.602 176.117 0.199 0.000 1.058 268 I CA 1.299 62.715 61.300 0.193 0.000 1.320 268 I CB -0.358 37.831 38.000 0.316 0.000 1.047 268 I HN 0.216 nan 8.210 nan 0.000 0.397 269 K N 0.684 121.200 120.400 0.193 0.000 2.173 269 K HA -0.236 4.087 4.320 0.004 0.000 0.207 269 K C 1.416 178.031 176.600 0.025 0.000 1.046 269 K CA 1.865 58.189 56.287 0.062 0.000 0.929 269 K CB -0.577 31.748 32.500 -0.291 0.000 0.720 269 K HN 0.508 nan 8.250 nan 0.000 0.453 270 N N 0.633 119.349 118.700 0.027 0.000 2.398 270 N HA -0.060 4.683 4.740 0.004 0.000 0.188 270 N C -0.820 174.720 175.510 0.049 0.000 1.122 270 N CA -0.106 52.961 53.050 0.029 0.000 0.866 270 N CB 0.347 38.860 38.487 0.043 0.000 0.970 270 N HN 0.061 nan 8.380 nan 0.000 0.462 271 D N 0.365 120.802 120.400 0.062 0.000 2.746 271 D HA -0.202 4.441 4.640 0.004 0.000 0.236 271 D C -0.213 176.122 176.300 0.058 0.000 1.129 271 D CA 0.904 54.924 54.000 0.033 0.000 0.691 271 D CB -1.881 38.906 40.800 -0.022 0.000 1.077 271 D HN 0.506 nan 8.370 nan 0.000 0.432 272 H N 0.964 120.047 119.070 0.023 0.000 2.928 272 H HA 0.051 4.610 4.556 0.004 0.000 0.338 272 H C 1.591 176.959 175.328 0.067 0.000 1.047 272 H CA 0.497 56.566 56.048 0.034 0.000 1.435 272 H CB 0.857 30.644 29.762 0.041 0.000 1.428 272 H HN -0.069 nan 8.280 nan 0.000 0.590 273 E N 3.628 123.683 120.200 -0.242 0.000 2.333 273 E HA -0.173 4.179 4.350 0.004 0.000 0.198 273 E C 0.710 177.435 176.600 0.208 0.000 1.007 273 E CA 0.946 57.321 56.400 -0.043 0.000 0.845 273 E CB 0.066 29.659 29.700 -0.179 0.000 0.766 273 E HN 0.768 nan 8.360 nan 0.000 0.507 274 E N 0.251 120.647 120.200 0.327 0.000 2.476 274 E HA 0.052 4.405 4.350 0.004 0.000 0.191 274 E C 0.033 176.838 176.600 0.341 0.000 1.064 274 E CA -0.113 56.531 56.400 0.406 0.000 0.866 274 E CB 0.400 30.356 29.700 0.427 0.000 0.952 274 E HN 0.051 nan 8.360 nan 0.000 0.492 275 I N 1.835 122.593 120.570 0.313 0.000 2.306 275 I HA 0.261 4.434 4.170 0.004 0.000 0.288 275 I C 0.322 176.458 176.117 0.032 0.000 1.036 275 I CA -0.473 60.922 61.300 0.159 0.000 1.221 275 I CB 0.487 38.580 38.000 0.154 0.000 1.385 275 I HN -0.103 nan 8.210 nan 0.000 0.472 276 A N 8.833 131.499 122.820 -0.256 0.000 2.269 276 A HA 0.669 4.991 4.320 0.004 0.000 0.319 276 A C -1.686 175.602 177.584 -0.494 0.000 1.110 276 A CA -1.400 50.128 52.037 -0.847 0.000 0.847 276 A CB 0.462 18.916 19.000 -0.910 0.000 1.161 276 A HN 0.457 nan 8.150 nan 0.000 0.497 277 P HA -0.212 nan 4.420 nan 0.000 0.216 277 P C 1.783 179.080 177.300 -0.004 0.000 1.153 277 P CA 2.504 65.393 63.100 -0.351 0.000 0.858 277 P CB 0.088 31.631 31.700 -0.262 0.000 0.789 278 S N -2.076 113.471 115.700 -0.255 0.000 2.402 278 S HA -0.143 4.330 4.470 0.004 0.000 0.229 278 S C 1.854 176.279 174.600 -0.291 0.000 1.021 278 S CA 1.862 59.824 58.200 -0.398 0.000 0.974 278 S CB -1.937 60.490 63.200 -1.288 0.000 0.800 278 S HN 0.116 nan 8.310 nan 0.000 0.484 279 T N 2.827 117.201 114.554 -0.299 0.000 2.635 279 T HA -0.048 4.304 4.350 0.004 0.000 0.267 279 T C 1.690 176.274 174.700 -0.194 0.000 1.040 279 T CA 1.770 63.735 62.100 -0.225 0.000 1.156 279 T CB -0.580 68.197 68.868 -0.151 0.000 0.863 279 T HN 0.337 nan 8.240 nan 0.000 0.430 280 I N 0.243 120.705 120.570 -0.181 0.000 2.226 280 I HA -0.070 4.103 4.170 0.004 0.000 0.245 280 I C 1.983 177.905 176.117 -0.326 0.000 1.100 280 I CA 1.310 62.462 61.300 -0.246 0.000 1.374 280 I CB -0.495 37.330 38.000 -0.291 0.000 1.057 280 I HN 0.138 nan 8.210 nan 0.000 0.413 281 F N 0.195 119.986 119.950 -0.266 0.000 2.216 281 F HA -0.224 4.306 4.527 0.005 0.000 0.300 281 F C 2.442 177.967 175.800 -0.458 0.000 1.085 281 F CA 1.284 59.117 58.000 -0.279 0.000 1.326 281 F CB -0.691 38.257 39.000 -0.087 0.000 1.027 281 F HN 0.027 nan 8.300 nan 0.000 0.497 282 A N -0.123 122.367 122.820 -0.550 0.000 1.873 282 A HA -0.025 4.298 4.320 0.004 0.000 0.215 282 A C 2.360 179.728 177.584 -0.360 0.000 1.186 282 A CA 1.531 53.023 52.037 -0.908 0.000 0.616 282 A CB -1.257 17.329 19.000 -0.691 0.000 0.823 282 A HN 0.278 nan 8.150 nan 0.000 0.442 283 A N -0.407 122.277 122.820 -0.228 0.000 2.015 283 A HA 0.256 4.579 4.320 0.004 0.000 0.219 283 A C 2.360 179.875 177.584 -0.115 0.000 1.163 283 A CA 1.779 53.742 52.037 -0.123 0.000 0.646 283 A CB -0.700 18.248 19.000 -0.086 0.000 0.806 283 A HN 0.949 nan 8.150 nan 0.000 0.448 284 A N -0.343 122.380 122.820 -0.161 0.000 1.970 284 A HA 0.046 4.368 4.320 0.004 0.000 0.216 284 A C 2.326 179.894 177.584 -0.026 0.000 1.170 284 A CA 1.691 53.649 52.037 -0.131 0.000 0.645 284 A CB -0.536 18.339 19.000 -0.207 0.000 0.816 284 A HN 0.490 nan 8.150 nan 0.000 0.447 285 S N -0.111 115.596 115.700 0.012 0.000 2.436 285 S HA 0.037 4.510 4.470 0.004 0.000 0.228 285 S C 1.723 176.379 174.600 0.093 0.000 1.014 285 S CA 0.963 59.235 58.200 0.121 0.000 0.950 285 S CB -0.364 63.006 63.200 0.283 0.000 0.784 285 S HN 0.499 nan 8.310 nan 0.000 0.504 286 I N 1.068 121.668 120.570 0.049 0.000 2.233 286 I HA -0.100 4.072 4.170 0.004 0.000 0.243 286 I C 1.750 177.891 176.117 0.041 0.000 1.093 286 I CA 0.817 62.147 61.300 0.049 0.000 1.380 286 I CB -0.182 37.835 38.000 0.029 0.000 1.067 286 I HN 0.207 nan 8.210 nan 0.000 0.413 287 L N 0.260 121.499 121.223 0.027 0.000 2.549 287 L HA -0.148 4.194 4.340 0.004 0.000 0.230 287 L C 1.821 178.711 176.870 0.032 0.000 1.162 287 L CA 1.666 56.525 54.840 0.032 0.000 0.834 287 L CB -0.746 41.317 42.059 0.007 0.000 0.947 287 L HN 0.246 nan 8.230 nan 0.000 0.452 288 E N -1.427 118.796 120.200 0.039 0.000 2.562 288 E HA 0.262 4.614 4.350 0.004 0.000 0.214 288 E C 1.322 177.948 176.600 0.044 0.000 0.979 288 E CA 0.641 57.069 56.400 0.046 0.000 1.002 288 E CB 0.434 30.175 29.700 0.069 0.000 1.048 288 E HN 0.231 nan 8.360 nan 0.000 0.488 289 G N 1.911 110.735 108.800 0.040 0.000 2.176 289 G HA2 -0.268 3.694 3.960 0.004 0.000 0.252 289 G HA3 -0.268 3.694 3.960 0.004 0.000 0.252 289 G C 0.428 175.348 174.900 0.033 0.000 1.024 289 G CA 0.622 45.735 45.100 0.022 0.000 0.755 289 G HN 0.231 nan 8.290 nan 0.000 0.507 290 V N -2.911 117.051 119.914 0.080 0.000 2.513 290 V HA 0.828 4.951 4.120 0.004 0.000 0.299 290 V C -2.022 174.161 176.094 0.148 0.000 1.035 290 V CA -3.219 59.141 62.300 0.099 0.000 0.889 290 V CB 2.075 33.979 31.823 0.134 0.000 0.988 290 V HN 0.007 nan 8.190 nan 0.000 0.440 291 P HA 0.161 nan 4.420 nan 0.000 0.264 291 P C -1.419 176.037 177.300 0.260 0.000 1.193 291 P CA 0.547 63.775 63.100 0.213 0.000 0.763 291 P CB -0.037 31.783 31.700 0.199 0.000 0.810 292 Y N 4.178 124.572 120.300 0.156 0.000 2.341 292 Y HA 0.535 5.088 4.550 0.004 0.000 0.338 292 Y C -0.478 175.553 175.900 0.219 0.000 0.965 292 Y CA -0.639 57.574 58.100 0.189 0.000 1.108 292 Y CB 0.864 39.457 38.460 0.222 0.000 1.180 292 Y HN 0.211 nan 8.280 nan 0.000 0.458 293 I N 6.264 126.658 120.570 -0.292 0.000 2.362 293 I HA 0.219 4.392 4.170 0.004 0.000 0.289 293 I C -0.488 175.513 176.117 -0.195 0.000 0.994 293 I CA -0.590 60.653 61.300 -0.095 0.000 1.158 293 I CB 1.482 39.435 38.000 -0.079 0.000 1.315 293 I HN 0.651 nan 8.210 nan 0.000 0.451 294 N N 4.808 123.577 118.700 0.115 0.000 2.469 294 N HA 0.192 4.935 4.740 0.004 0.000 0.239 294 N C 0.912 176.458 175.510 0.060 0.000 1.053 294 N CA -0.208 52.863 53.050 0.036 0.000 0.937 294 N CB 1.005 39.416 38.487 -0.127 0.000 1.163 294 N HN 0.891 nan 8.380 nan 0.000 0.509 295 G N 1.662 110.533 108.800 0.119 0.000 2.985 295 G HA2 0.028 3.991 3.960 0.004 0.000 0.209 295 G HA3 0.028 3.991 3.960 0.004 0.000 0.209 295 G C 0.036 175.018 174.900 0.137 0.000 1.165 295 G CA -0.002 45.171 45.100 0.121 0.000 0.776 295 G HN 0.463 nan 8.290 nan 0.000 0.541 296 S N -0.071 115.704 115.700 0.124 0.000 2.739 296 S HA 0.502 4.974 4.470 0.004 0.000 0.306 296 S C -1.857 172.733 174.600 -0.017 0.000 1.115 296 S CA -1.050 57.204 58.200 0.091 0.000 0.985 296 S CB 2.636 65.942 63.200 0.177 0.000 1.133 296 S HN -0.016 nan 8.310 nan 0.000 0.541 297 P HA 0.023 nan 4.420 nan 0.000 0.251 297 P C 0.124 177.398 177.300 -0.043 0.000 1.223 297 P CA 0.207 63.308 63.100 0.002 0.000 0.796 297 P CB 0.071 31.800 31.700 0.049 0.000 1.068 298 Q N 2.132 121.848 119.800 -0.139 0.000 2.524 298 Q HA -0.013 4.329 4.340 0.004 0.000 0.246 298 Q C -0.142 175.482 176.000 -0.627 0.000 1.063 298 Q CA 0.492 56.103 55.803 -0.320 0.000 0.945 298 Q CB -0.342 28.239 28.738 -0.262 0.000 1.292 298 Q HN 0.082 nan 8.270 nan 0.000 0.518 299 N N 0.795 118.919 118.700 -0.960 0.000 2.918 299 N HA 0.002 4.745 4.740 0.004 0.000 0.247 299 N C 0.509 175.720 175.510 -0.500 0.000 1.117 299 N CA 0.203 52.826 53.050 -0.711 0.000 1.005 299 N CB 0.760 38.796 38.487 -0.751 0.000 1.297 299 N HN 0.769 nan 8.380 nan 0.000 0.513 300 T N -1.086 113.100 114.554 -0.613 0.000 2.942 300 T HA 0.051 4.404 4.350 0.004 0.000 0.265 300 T C 0.352 174.794 174.700 -0.429 0.000 1.062 300 T CA 0.304 62.038 62.100 -0.609 0.000 1.139 300 T CB -0.552 67.843 68.868 -0.789 0.000 0.883 300 T HN 0.326 nan 8.240 nan 0.000 0.468 301 F N 4.442 124.317 119.950 -0.125 0.000 2.661 301 F HA 0.377 4.906 4.527 0.004 0.000 0.356 301 F C 0.709 176.476 175.800 -0.056 0.000 1.244 301 F CA -1.372 56.585 58.000 -0.071 0.000 1.290 301 F CB -0.372 38.609 39.000 -0.032 0.000 1.677 301 F HN 0.020 nan 8.300 nan 0.000 0.649 302 V N 0.141 120.110 119.914 0.092 0.000 3.051 302 V HA 0.108 4.231 4.120 0.004 0.000 0.306 302 V C -1.294 174.848 176.094 0.079 0.000 1.083 302 V CA -1.518 60.814 62.300 0.053 0.000 1.104 302 V CB 0.509 32.341 31.823 0.016 0.000 1.027 302 V HN 0.169 nan 8.190 nan 0.000 0.483 303 P HA -0.146 nan 4.420 nan 0.000 0.216 303 P C 1.603 178.936 177.300 0.056 0.000 1.153 303 P CA 2.287 65.425 63.100 0.064 0.000 0.858 303 P CB -0.189 31.543 31.700 0.054 0.000 0.789 304 G N -0.143 108.682 108.800 0.041 0.000 2.422 304 G HA2 -0.217 3.746 3.960 0.004 0.000 0.218 304 G HA3 -0.217 3.746 3.960 0.004 0.000 0.218 304 G C 1.486 176.413 174.900 0.045 0.000 1.146 304 G CA 0.378 45.498 45.100 0.033 0.000 0.769 304 G HN 0.224 nan 8.290 nan 0.000 0.547 305 L N 0.621 121.878 121.223 0.056 0.000 2.270 305 L HA 0.213 4.556 4.340 0.004 0.000 0.210 305 L C 2.788 179.699 176.870 0.068 0.000 1.104 305 L CA 0.861 55.741 54.840 0.066 0.000 0.804 305 L CB -0.133 41.978 42.059 0.087 0.000 0.937 305 L HN 0.067 nan 8.230 nan 0.000 0.450 306 V N -0.589 119.367 119.914 0.070 0.000 2.515 306 V HA -0.283 3.839 4.120 0.004 0.000 0.250 306 V C 2.495 178.615 176.094 0.042 0.000 1.058 306 V CA 1.734 64.053 62.300 0.032 0.000 1.064 306 V CB -0.511 31.342 31.823 0.050 0.000 0.675 306 V HN 0.577 nan 8.190 nan 0.000 0.461 307 Q N -0.357 119.480 119.800 0.062 0.000 2.050 307 Q HA -0.194 4.149 4.340 0.004 0.000 0.202 307 Q C 2.336 178.391 176.000 0.092 0.000 0.980 307 Q CA 1.651 57.500 55.803 0.076 0.000 0.840 307 Q CB -0.130 28.646 28.738 0.063 0.000 0.898 307 Q HN 0.603 nan 8.270 nan 0.000 0.424 308 L N 0.056 121.327 121.223 0.081 0.000 2.201 308 L HA -0.098 4.245 4.340 0.004 0.000 0.212 308 L C 2.086 179.012 176.870 0.094 0.000 1.105 308 L CA 1.357 56.262 54.840 0.108 0.000 0.775 308 L CB -0.503 41.606 42.059 0.083 0.000 0.913 308 L HN 0.314 nan 8.230 nan 0.000 0.440 309 A N -0.314 122.534 122.820 0.047 0.000 1.929 309 A HA -0.191 4.131 4.320 0.004 0.000 0.216 309 A C 2.008 179.594 177.584 0.003 0.000 1.176 309 A CA 1.253 53.298 52.037 0.013 0.000 0.628 309 A CB -0.292 18.684 19.000 -0.040 0.000 0.816 309 A HN 0.529 nan 8.150 nan 0.000 0.444 310 E N -1.311 118.897 120.200 0.014 0.000 2.047 310 E HA -0.183 4.169 4.350 0.004 0.000 0.191 310 E C 1.998 178.634 176.600 0.060 0.000 0.987 310 E CA 0.971 57.383 56.400 0.020 0.000 0.799 310 E CB -0.301 29.443 29.700 0.072 0.000 0.752 310 E HN 0.788 nan 8.360 nan 0.000 0.449 311 H N 0.353 119.439 119.070 0.026 0.000 2.457 311 H HA -0.056 4.502 4.556 0.004 0.000 0.294 311 H C 1.258 176.602 175.328 0.026 0.000 1.064 311 H CA 0.965 57.031 56.048 0.030 0.000 1.330 311 H CB 0.559 30.340 29.762 0.031 0.000 1.395 311 H HN 0.079 nan 8.280 nan 0.000 0.541 312 E N -0.093 120.059 120.200 -0.080 0.000 2.400 312 E HA 0.078 4.430 4.350 0.004 0.000 0.195 312 E C 0.985 177.526 176.600 -0.098 0.000 1.012 312 E CA 0.657 56.992 56.400 -0.108 0.000 0.875 312 E CB 0.247 29.953 29.700 0.010 0.000 0.859 312 E HN 0.612 nan 8.360 nan 0.000 0.498 313 G N 2.174 110.935 108.800 -0.064 0.000 2.353 313 G HA2 -0.219 3.744 3.960 0.004 0.000 0.294 313 G HA3 -0.219 3.744 3.960 0.004 0.000 0.294 313 G C -0.143 174.749 174.900 -0.013 0.000 1.077 313 G CA 0.690 45.770 45.100 -0.033 0.000 1.098 313 G HN 0.117 nan 8.290 nan 0.000 0.511 314 T N 0.470 115.039 114.554 0.024 0.000 2.881 314 T HA 0.501 4.854 4.350 0.004 0.000 0.290 314 T C 0.251 175.081 174.700 0.217 0.000 1.000 314 T CA -0.641 61.493 62.100 0.057 0.000 0.978 314 T CB 1.216 70.113 68.868 0.047 0.000 0.997 314 T HN 0.287 nan 8.240 nan 0.000 0.443 315 F N 3.790 123.736 119.950 -0.006 0.000 2.590 315 F HA 0.210 4.739 4.527 0.004 0.000 0.389 315 F C 1.007 176.791 175.800 -0.028 0.000 1.049 315 F CA -0.526 57.460 58.000 -0.023 0.000 1.199 315 F CB 0.261 39.276 39.000 0.024 0.000 1.058 315 F HN 0.441 nan 8.300 nan 0.000 0.556 316 I N 1.490 122.081 120.570 0.035 0.000 3.002 316 I HA 1.009 5.181 4.170 0.004 0.000 0.310 316 I C -0.858 175.125 176.117 -0.223 0.000 1.087 316 I CA -0.772 60.450 61.300 -0.131 0.000 1.017 316 I CB 2.275 40.023 38.000 -0.421 0.000 1.226 316 I HN 0.564 nan 8.210 nan 0.000 0.443 317 A N 1.959 124.674 122.820 -0.174 0.000 2.515 317 A HA 0.871 5.193 4.320 0.004 0.000 0.292 317 A C -0.182 177.534 177.584 0.221 0.000 1.065 317 A CA -0.082 51.936 52.037 -0.032 0.000 0.641 317 A CB 0.385 19.390 19.000 0.009 0.000 1.306 317 A HN 2.461 nan 8.150 nan 0.000 0.441 318 G N -0.750 108.161 108.800 0.185 0.000 2.512 318 G HA2 0.453 4.415 3.960 0.004 0.000 0.210 318 G HA3 0.453 4.415 3.960 0.004 0.000 0.210 318 G C -0.607 174.418 174.900 0.209 0.000 1.295 318 G CA 1.001 46.230 45.100 0.216 0.000 0.934 318 G HN 2.391 nan 8.290 nan 0.000 0.554 319 D N -0.081 120.410 120.400 0.152 0.000 2.815 319 D HA 0.360 5.002 4.640 0.004 0.000 0.190 319 D C -0.518 175.813 176.300 0.052 0.000 1.173 319 D CA 1.484 55.525 54.000 0.068 0.000 0.743 319 D CB -0.665 40.177 40.800 0.070 0.000 0.447 319 D HN 1.179 nan 8.370 nan 0.000 0.312 320 D N 0.582 121.006 120.400 0.040 0.000 10.781 320 D HA -0.194 4.448 4.640 0.004 0.000 0.338 320 D C -0.677 175.662 176.300 0.064 0.000 3.118 320 D CA 0.041 54.070 54.000 0.047 0.000 2.702 320 D CB 0.395 41.214 40.800 0.030 0.000 1.194 320 D HN 0.360 nan 8.370 nan 0.000 0.935 321 L N 3.552 124.816 121.223 0.068 0.000 2.418 321 L HA 0.122 4.465 4.340 0.004 0.000 0.274 321 L C 0.651 177.558 176.870 0.061 0.000 1.135 321 L CA 0.662 55.548 54.840 0.078 0.000 0.870 321 L CB 0.350 42.449 42.059 0.068 0.000 1.154 321 L HN 0.367 nan 8.230 nan 0.000 0.462 322 K N 4.072 124.513 120.400 0.069 0.000 2.250 322 K HA 0.055 4.378 4.320 0.004 0.000 0.285 322 K C 0.972 177.573 176.600 0.001 0.000 1.097 322 K CA -0.063 56.230 56.287 0.010 0.000 0.913 322 K CB 0.578 33.047 32.500 -0.051 0.000 1.179 322 K HN 0.879 nan 8.250 nan 0.000 0.462 323 S N 2.330 118.030 115.700 -0.000 0.000 4.255 323 S HA -0.283 4.189 4.470 0.004 0.000 0.537 323 S C 1.241 175.841 174.600 -0.001 0.000 0.923 323 S CA 2.205 60.405 58.200 -0.000 0.000 3.384 323 S CB -0.299 62.893 63.200 -0.013 0.000 2.351 323 S HN 0.973 nan 8.310 nan 0.000 0.350 324 G N -1.520 107.271 108.800 -0.014 0.000 4.044 324 G HA2 0.009 3.972 3.960 0.004 0.000 0.189 324 G HA3 0.009 3.972 3.960 0.004 0.000 0.189 324 G C 0.721 175.613 174.900 -0.014 0.000 0.838 324 G CA 0.940 46.034 45.100 -0.011 0.000 0.876 324 G HN 0.579 nan 8.290 nan 0.000 0.419 325 Q N 0.475 120.269 119.800 -0.011 0.000 2.107 325 Q HA 0.031 4.374 4.340 0.004 0.000 0.195 325 Q C 2.107 178.104 176.000 -0.004 0.000 0.964 325 Q CA 1.788 57.588 55.803 -0.006 0.000 0.833 325 Q CB -0.074 28.658 28.738 -0.010 0.000 0.910 325 Q HN 0.261 nan 8.270 nan 0.000 0.465 326 T N 1.339 115.883 114.554 -0.017 0.000 2.962 326 T HA -0.048 4.304 4.350 0.004 0.000 0.270 326 T C 1.536 176.211 174.700 -0.041 0.000 1.088 326 T CA 0.925 63.010 62.100 -0.025 0.000 1.127 326 T CB 0.039 68.885 68.868 -0.036 0.000 0.883 326 T HN 0.234 nan 8.240 nan 0.000 0.493 327 K N 0.793 121.155 120.400 -0.063 0.000 1.967 327 K HA 0.068 4.391 4.320 0.004 0.000 0.212 327 K C 2.208 178.769 176.600 -0.064 0.000 1.044 327 K CA 0.971 57.195 56.287 -0.105 0.000 0.942 327 K CB -0.512 31.907 32.500 -0.135 0.000 0.726 327 K HN 0.184 nan 8.250 nan 0.000 0.440 328 L N 1.527 122.727 121.223 -0.039 0.000 2.103 328 L HA -0.315 4.028 4.340 0.004 0.000 0.215 328 L C 2.303 179.188 176.870 0.025 0.000 1.080 328 L CA 1.577 56.409 54.840 -0.014 0.000 0.764 328 L CB -0.179 41.879 42.059 -0.002 0.000 0.890 328 L HN 0.245 nan 8.230 nan 0.000 0.435 329 K N -1.228 119.211 120.400 0.064 0.000 2.063 329 K HA -0.185 4.138 4.320 0.004 0.000 0.208 329 K C 2.271 178.935 176.600 0.107 0.000 1.048 329 K CA 1.732 58.113 56.287 0.157 0.000 0.928 329 K CB -0.101 32.479 32.500 0.133 0.000 0.713 329 K HN 0.228 nan 8.250 nan 0.000 0.442 330 S N 0.126 115.847 115.700 0.036 0.000 2.345 330 S HA -0.088 4.385 4.470 0.004 0.000 0.219 330 S C 1.976 176.585 174.600 0.014 0.000 1.031 330 S CA 0.885 59.095 58.200 0.017 0.000 0.984 330 S CB -0.092 63.095 63.200 -0.022 0.000 0.874 330 S HN 0.046 nan 8.310 nan 0.000 0.451 331 V N 2.746 122.656 119.914 -0.007 0.000 2.250 331 V HA -0.231 3.891 4.120 0.004 0.000 0.253 331 V C 2.372 178.475 176.094 0.014 0.000 1.065 331 V CA 1.666 63.963 62.300 -0.004 0.000 1.039 331 V CB -0.660 31.144 31.823 -0.032 0.000 0.647 331 V HN 0.421 nan 8.190 nan 0.000 0.446 332 L N -0.281 120.927 121.223 -0.026 0.000 1.994 332 L HA -0.177 4.165 4.340 0.004 0.000 0.208 332 L C 2.703 179.553 176.870 -0.034 0.000 1.071 332 L CA 2.622 57.413 54.840 -0.082 0.000 0.745 332 L CB -1.472 40.462 42.059 -0.208 0.000 0.892 332 L HN 0.423 nan 8.230 nan 0.000 0.431 333 A N -1.051 121.763 122.820 -0.010 0.000 1.978 333 A HA -0.280 4.043 4.320 0.004 0.000 0.220 333 A C 2.152 179.777 177.584 0.070 0.000 1.170 333 A CA 1.849 53.918 52.037 0.053 0.000 0.636 333 A CB -0.415 18.661 19.000 0.126 0.000 0.810 333 A HN 0.486 nan 8.150 nan 0.000 0.448 334 Q N -1.213 118.633 119.800 0.076 0.000 2.049 334 Q HA -0.074 4.268 4.340 0.004 0.000 0.198 334 Q C 1.709 177.770 176.000 0.102 0.000 0.971 334 Q CA 1.773 57.620 55.803 0.073 0.000 0.833 334 Q CB -0.561 28.214 28.738 0.063 0.000 0.896 334 Q HN 0.623 nan 8.270 nan 0.000 0.434 335 F N 0.165 120.097 119.950 -0.031 0.000 2.043 335 F HA -0.307 4.222 4.527 0.004 0.000 0.297 335 F C 1.484 177.268 175.800 -0.028 0.000 1.118 335 F CA 1.490 59.471 58.000 -0.032 0.000 1.202 335 F CB -0.728 38.242 39.000 -0.051 0.000 0.965 335 F HN 0.198 nan 8.300 nan 0.000 0.482 336 L N 0.418 121.558 121.223 -0.137 0.000 1.971 336 L HA -0.234 4.109 4.340 0.004 0.000 0.215 336 L C 2.577 179.354 176.870 -0.156 0.000 1.072 336 L CA 1.721 56.429 54.840 -0.219 0.000 0.758 336 L CB -1.444 40.605 42.059 -0.018 0.000 0.889 336 L HN 0.142 nan 8.230 nan 0.000 0.433 337 V N -0.367 119.528 119.914 -0.031 0.000 2.720 337 V HA -0.240 3.882 4.120 0.004 0.000 0.256 337 V C 1.698 177.772 176.094 -0.033 0.000 1.082 337 V CA 1.577 63.887 62.300 0.017 0.000 1.101 337 V CB -0.616 31.269 31.823 0.105 0.000 0.693 337 V HN 0.441 nan 8.190 nan 0.000 0.479 338 D N 0.066 120.420 120.400 -0.077 0.000 2.348 338 D HA 0.111 4.754 4.640 0.004 0.000 0.211 338 D C 1.812 178.034 176.300 -0.130 0.000 0.998 338 D CA 1.010 54.967 54.000 -0.071 0.000 0.873 338 D CB 0.120 40.893 40.800 -0.046 0.000 0.925 338 D HN 0.457 nan 8.370 nan 0.000 0.524 339 A N -0.139 122.542 122.820 -0.231 0.000 2.275 339 A HA 0.485 4.808 4.320 0.004 0.000 0.212 339 A C 1.542 179.028 177.584 -0.163 0.000 1.201 339 A CA 0.552 52.437 52.037 -0.253 0.000 0.843 339 A CB -0.191 18.529 19.000 -0.468 0.000 0.873 339 A HN 0.152 nan 8.150 nan 0.000 0.492 340 G N -0.430 108.297 108.800 -0.120 0.000 2.212 340 G HA2 -0.206 3.756 3.960 0.004 0.000 0.255 340 G HA3 -0.206 3.756 3.960 0.004 0.000 0.255 340 G C -0.119 174.719 174.900 -0.104 0.000 1.062 340 G CA 0.368 45.414 45.100 -0.090 0.000 0.815 340 G HN 0.457 nan 8.290 nan 0.000 0.497 341 I N -0.343 120.163 120.570 -0.106 0.000 2.441 341 I HA 0.418 4.590 4.170 0.004 0.000 0.295 341 I C 0.461 176.543 176.117 -0.060 0.000 0.994 341 I CA -0.819 60.421 61.300 -0.099 0.000 1.144 341 I CB 1.938 39.870 38.000 -0.113 0.000 1.314 341 I HN 0.024 nan 8.210 nan 0.000 0.445 342 K N 8.011 128.358 120.400 -0.089 0.000 2.354 342 K HA 0.398 4.720 4.320 0.004 0.000 0.257 342 K C -2.481 174.142 176.600 0.038 0.000 1.062 342 K CA -1.759 54.481 56.287 -0.079 0.000 0.971 342 K CB 0.879 33.219 32.500 -0.267 0.000 1.305 342 K HN 0.160 nan 8.250 nan 0.000 0.449 343 P HA -0.091 nan 4.420 nan 0.000 0.263 343 P C 0.153 177.611 177.300 0.263 0.000 1.195 343 P CA 0.067 63.311 63.100 0.241 0.000 0.762 343 P CB 1.427 33.304 31.700 0.295 0.000 0.799 344 V N 2.424 122.458 119.914 0.200 0.000 3.570 344 V HA 0.203 4.326 4.120 0.004 0.000 0.257 344 V C 0.411 176.623 176.094 0.197 0.000 1.272 344 V CA 0.886 63.302 62.300 0.193 0.000 1.079 344 V CB 0.515 32.414 31.823 0.127 0.000 0.829 344 V HN 0.500 nan 8.190 nan 0.000 0.454 345 S N 0.108 115.940 115.700 0.220 0.000 2.575 345 S HA 0.709 5.181 4.470 0.004 0.000 0.278 345 S C -1.073 173.599 174.600 0.120 0.000 1.139 345 S CA -0.516 57.788 58.200 0.173 0.000 0.954 345 S CB 1.411 64.741 63.200 0.216 0.000 1.054 345 S HN 0.285 nan 8.310 nan 0.000 0.483 346 I N 3.596 124.181 120.570 0.026 0.000 2.517 346 I HA 0.439 4.611 4.170 0.004 0.000 0.280 346 I C -0.141 175.859 176.117 -0.195 0.000 1.061 346 I CA -0.635 60.560 61.300 -0.175 0.000 1.091 346 I CB 1.523 39.432 38.000 -0.152 0.000 1.205 346 I HN 0.680 nan 8.210 nan 0.000 0.459 347 A N 4.125 126.791 122.820 -0.258 0.000 2.260 347 A HA 0.690 5.013 4.320 0.004 0.000 0.308 347 A C -0.136 177.172 177.584 -0.461 0.000 1.254 347 A CA -0.271 51.558 52.037 -0.347 0.000 0.874 347 A CB 0.736 19.601 19.000 -0.225 0.000 1.153 347 A HN 0.551 nan 8.150 nan 0.000 0.527 348 S N 1.946 117.334 115.700 -0.521 0.000 2.520 348 S HA 0.560 5.033 4.470 0.004 0.000 0.324 348 S C -1.271 173.086 174.600 -0.404 0.000 1.069 348 S CA -0.087 57.897 58.200 -0.360 0.000 1.121 348 S CB -0.112 62.969 63.200 -0.197 0.000 0.971 348 S HN 0.519 nan 8.310 nan 0.000 0.463 349 Y N 2.244 122.551 120.300 0.013 0.000 2.446 349 Y HA 0.530 5.083 4.550 0.004 0.000 0.338 349 Y C 0.435 176.352 175.900 0.028 0.000 1.055 349 Y CA -1.061 57.062 58.100 0.040 0.000 1.101 349 Y CB 1.503 39.992 38.460 0.048 0.000 1.221 349 Y HN 0.549 nan 8.280 nan 0.000 0.460 350 N N 1.315 120.156 118.700 0.235 0.000 2.324 350 N HA 0.328 5.071 4.740 0.004 0.000 0.285 350 N C -1.871 173.739 175.510 0.166 0.000 1.076 350 N CA -0.880 52.244 53.050 0.123 0.000 0.864 350 N CB 1.691 40.244 38.487 0.109 0.000 1.632 350 N HN 0.729 nan 8.380 nan 0.000 0.478 351 H N 1.535 120.657 119.070 0.086 0.000 2.930 351 H HA 0.711 5.269 4.556 0.004 0.000 0.371 351 H C -1.495 173.879 175.328 0.076 0.000 1.169 351 H CA -0.908 55.190 56.048 0.083 0.000 1.157 351 H CB 1.497 31.290 29.762 0.052 0.000 1.789 351 H HN 0.516 nan 8.280 nan 0.000 0.547 352 L N -0.913 120.448 121.223 0.229 0.000 2.582 352 L HA 0.710 5.052 4.340 0.004 0.000 0.257 352 L C -0.514 176.495 176.870 0.231 0.000 0.974 352 L CA -0.962 53.980 54.840 0.170 0.000 0.851 352 L CB 2.279 44.415 42.059 0.128 0.000 1.424 352 L HN 0.790 nan 8.230 nan 0.000 0.412 353 G N 0.642 109.544 108.800 0.171 0.000 4.098 353 G HA2 0.287 4.250 3.960 0.004 0.000 0.300 353 G HA3 0.287 4.250 3.960 0.004 0.000 0.300 353 G C -0.343 174.730 174.900 0.287 0.000 1.187 353 G CA -0.220 44.984 45.100 0.175 0.000 0.964 353 G HN 0.762 nan 8.290 nan 0.000 0.559 354 N N -1.040 117.829 118.700 0.281 0.000 2.671 354 N HA 0.190 4.933 4.740 0.004 0.000 0.303 354 N C 0.926 176.544 175.510 0.181 0.000 1.277 354 N CA -1.176 51.980 53.050 0.177 0.000 0.933 354 N CB 0.452 39.000 38.487 0.102 0.000 1.190 354 N HN -0.109 nan 8.380 nan 0.000 0.600 355 N N -0.613 118.149 118.700 0.102 0.000 2.223 355 N HA -0.156 4.587 4.740 0.004 0.000 0.185 355 N C 0.185 175.753 175.510 0.096 0.000 1.016 355 N CA 1.319 54.432 53.050 0.106 0.000 0.863 355 N CB -0.253 38.273 38.487 0.064 0.000 0.983 355 N HN 0.511 nan 8.380 nan 0.000 0.429 356 D N -0.673 119.776 120.400 0.081 0.000 2.103 356 D HA -0.127 4.515 4.640 0.004 0.000 0.190 356 D C 1.862 178.213 176.300 0.084 0.000 0.997 356 D CA 1.757 55.802 54.000 0.075 0.000 0.833 356 D CB -1.131 39.713 40.800 0.073 0.000 0.961 356 D HN 0.428 nan 8.370 nan 0.000 0.447 357 G N -1.113 107.760 108.800 0.122 0.000 2.511 357 G HA2 -0.224 3.738 3.960 0.004 0.000 0.217 357 G HA3 -0.224 3.738 3.960 0.004 0.000 0.217 357 G C 1.425 176.299 174.900 -0.043 0.000 1.133 357 G CA 0.095 45.283 45.100 0.146 0.000 0.792 357 G HN 0.211 nan 8.290 nan 0.000 0.539 358 Y N 1.450 121.491 120.300 -0.432 0.000 2.263 358 Y HA -0.025 4.528 4.550 0.004 0.000 0.292 358 Y C 2.406 178.101 175.900 -0.341 0.000 1.130 358 Y CA 1.447 59.035 58.100 -0.854 0.000 1.179 358 Y CB -0.263 37.766 38.460 -0.719 0.000 0.998 358 Y HN 0.303 nan 8.280 nan 0.000 0.532 359 N N -0.101 118.506 118.700 -0.155 0.000 2.250 359 N HA -0.125 4.617 4.740 0.004 0.000 0.181 359 N C 1.726 177.194 175.510 -0.070 0.000 1.017 359 N CA 0.987 53.955 53.050 -0.135 0.000 0.866 359 N CB -0.127 38.353 38.487 -0.013 0.000 0.985 359 N HN 0.410 nan 8.380 nan 0.000 0.429 360 L N 1.113 122.340 121.223 0.006 0.000 2.275 360 L HA -0.076 4.267 4.340 0.004 0.000 0.215 360 L C 2.328 179.251 176.870 0.089 0.000 1.119 360 L CA 0.801 55.703 54.840 0.104 0.000 0.790 360 L CB -0.509 41.659 42.059 0.181 0.000 0.919 360 L HN 0.238 nan 8.230 nan 0.000 0.443 361 S N -0.052 115.631 115.700 -0.029 0.000 2.571 361 S HA 0.024 4.496 4.470 0.004 0.000 0.245 361 S C 0.786 175.343 174.600 -0.071 0.000 0.976 361 S CA 0.305 58.472 58.200 -0.056 0.000 0.954 361 S CB -0.506 62.635 63.200 -0.099 0.000 0.756 361 S HN 0.284 nan 8.310 nan 0.000 0.535 362 A N 2.081 124.877 122.820 -0.040 0.000 2.330 362 A HA 0.707 5.029 4.320 0.004 0.000 0.327 362 A C -1.327 176.296 177.584 0.065 0.000 1.155 362 A CA -2.062 49.964 52.037 -0.018 0.000 0.803 362 A CB 1.210 20.191 19.000 -0.032 0.000 1.208 362 A HN 0.261 nan 8.150 nan 0.000 0.477 363 P HA -0.089 nan 4.420 nan 0.000 0.230 363 P C 0.556 177.945 177.300 0.148 0.000 1.158 363 P CA 1.027 64.211 63.100 0.141 0.000 0.769 363 P CB 0.314 32.058 31.700 0.073 0.000 0.807 364 K N -0.439 120.012 120.400 0.086 0.000 2.305 364 K HA -0.001 4.321 4.320 0.004 0.000 0.199 364 K C 2.039 178.685 176.600 0.077 0.000 1.047 364 K CA 1.064 57.388 56.287 0.062 0.000 0.976 364 K CB -0.319 32.201 32.500 0.034 0.000 0.765 364 K HN 0.077 nan 8.250 nan 0.000 0.474 365 Q N -1.486 118.375 119.800 0.101 0.000 2.391 365 Q HA 0.200 4.543 4.340 0.004 0.000 0.211 365 Q C 1.394 177.453 176.000 0.099 0.000 0.908 365 Q CA 0.350 56.215 55.803 0.104 0.000 0.920 365 Q CB -0.065 28.733 28.738 0.099 0.000 1.056 365 Q HN 0.270 nan 8.270 nan 0.000 0.523 366 F N 0.418 120.377 119.950 0.014 0.000 2.367 366 F HA 0.026 4.555 4.527 0.004 0.000 0.298 366 F C 1.855 177.652 175.800 -0.006 0.000 1.094 366 F CA 0.758 58.764 58.000 0.011 0.000 1.409 366 F CB 0.294 39.299 39.000 0.008 0.000 1.064 366 F HN -0.119 nan 8.300 nan 0.000 0.528 367 R N 0.508 120.946 120.500 -0.104 0.000 2.081 367 R HA -0.101 4.242 4.340 0.004 0.000 0.235 367 R C 2.494 178.607 176.300 -0.311 0.000 1.131 367 R CA 1.679 57.650 56.100 -0.214 0.000 0.960 367 R CB -1.072 29.157 30.300 -0.118 0.000 0.856 367 R HN 0.239 nan 8.270 nan 0.000 0.436 368 S N 0.253 115.845 115.700 -0.179 0.000 2.370 368 S HA -0.173 4.299 4.470 0.004 0.000 0.226 368 S C 1.755 176.316 174.600 -0.065 0.000 1.033 368 S CA 1.622 59.818 58.200 -0.005 0.000 1.011 368 S CB -0.202 63.134 63.200 0.227 0.000 0.852 368 S HN 0.177 nan 8.310 nan 0.000 0.457 369 K N 1.308 121.596 120.400 -0.187 0.000 2.001 369 K HA 0.017 4.340 4.320 0.004 0.000 0.208 369 K C 2.170 178.572 176.600 -0.331 0.000 1.048 369 K CA 1.270 57.423 56.287 -0.223 0.000 0.932 369 K CB -0.249 32.100 32.500 -0.251 0.000 0.715 369 K HN 0.322 nan 8.250 nan 0.000 0.437 370 E N -0.043 119.804 120.200 -0.589 0.000 2.085 370 E HA -0.214 4.138 4.350 0.004 0.000 0.194 370 E C 1.861 178.304 176.600 -0.261 0.000 0.994 370 E CA 1.310 57.424 56.400 -0.477 0.000 0.801 370 E CB -0.122 29.224 29.700 -0.590 0.000 0.743 370 E HN 0.248 nan 8.360 nan 0.000 0.453 371 I N 0.685 121.108 120.570 -0.246 0.000 2.361 371 I HA -0.210 3.963 4.170 0.004 0.000 0.251 371 I C 1.961 178.025 176.117 -0.088 0.000 1.133 371 I CA 1.345 62.538 61.300 -0.178 0.000 1.413 371 I CB -0.332 37.491 38.000 -0.294 0.000 1.073 371 I HN -0.066 nan 8.210 nan 0.000 0.424 372 S N 0.599 116.258 115.700 -0.068 0.000 2.382 372 S HA -0.193 4.280 4.470 0.004 0.000 0.228 372 S C 2.005 176.564 174.600 -0.068 0.000 1.027 372 S CA 1.320 59.500 58.200 -0.033 0.000 0.991 372 S CB -0.398 62.785 63.200 -0.027 0.000 0.823 372 S HN 0.500 nan 8.310 nan 0.000 0.469 373 K N 1.717 122.049 120.400 -0.114 0.000 2.296 373 K HA 0.072 4.395 4.320 0.004 0.000 0.200 373 K C 1.144 177.637 176.600 -0.179 0.000 1.048 373 K CA 0.407 56.609 56.287 -0.141 0.000 0.966 373 K CB -0.282 32.117 32.500 -0.169 0.000 0.754 373 K HN 0.290 nan 8.250 nan 0.000 0.466 374 S N 0.712 116.316 115.700 -0.160 0.000 3.797 374 S HA 0.011 4.484 4.470 0.004 0.000 0.187 374 S C 0.455 174.996 174.600 -0.097 0.000 1.165 374 S CA 0.650 58.767 58.200 -0.138 0.000 1.013 374 S CB -0.547 62.597 63.200 -0.094 0.000 1.456 374 S HN 0.369 nan 8.310 nan 0.000 0.442 375 S N 0.507 116.139 115.700 -0.114 0.000 1.540 375 S HA -0.046 4.427 4.470 0.004 0.000 0.173 375 S C 1.064 175.612 174.600 -0.086 0.000 0.670 375 S CA 0.493 58.643 58.200 -0.083 0.000 1.643 375 S CB -0.840 62.327 63.200 -0.055 0.000 0.977 375 S HN 0.380 nan 8.310 nan 0.000 0.367 376 V N 3.297 123.151 119.914 -0.100 0.000 2.216 376 V HA -0.080 4.042 4.120 0.004 0.000 0.243 376 V C 2.256 178.299 176.094 -0.084 0.000 1.044 376 V CA 1.799 64.049 62.300 -0.083 0.000 0.995 376 V CB -0.685 31.088 31.823 -0.083 0.000 0.633 376 V HN 0.538 nan 8.190 nan 0.000 0.446 377 I N 1.398 121.905 120.570 -0.105 0.000 2.399 377 I HA -0.261 3.912 4.170 0.004 0.000 0.254 377 I C 1.998 178.045 176.117 -0.117 0.000 1.146 377 I CA 1.939 63.185 61.300 -0.090 0.000 1.412 377 I CB -1.264 36.697 38.000 -0.064 0.000 1.076 377 I HN 0.481 nan 8.210 nan 0.000 0.432 378 D N 0.082 120.423 120.400 -0.099 0.000 2.269 378 D HA -0.138 4.505 4.640 0.004 0.000 0.208 378 D C 1.647 177.888 176.300 -0.097 0.000 0.963 378 D CA 0.843 54.786 54.000 -0.095 0.000 0.864 378 D CB -0.093 40.663 40.800 -0.074 0.000 0.936 378 D HN 0.359 nan 8.370 nan 0.000 0.505 379 D N -0.133 120.218 120.400 -0.080 0.000 2.240 379 D HA 0.065 4.707 4.640 0.004 0.000 0.206 379 D C 2.092 178.361 176.300 -0.051 0.000 0.963 379 D CA 0.234 54.203 54.000 -0.052 0.000 0.863 379 D CB 0.237 41.020 40.800 -0.027 0.000 0.973 379 D HN 0.260 nan 8.370 nan 0.000 0.501 380 I N 0.855 121.380 120.570 -0.075 0.000 2.406 380 I HA -0.125 4.048 4.170 0.004 0.000 0.249 380 I C 2.381 178.420 176.117 -0.129 0.000 1.122 380 I CA 0.402 61.663 61.300 -0.065 0.000 1.431 380 I CB 0.114 38.087 38.000 -0.044 0.000 1.087 380 I HN -0.079 nan 8.210 nan 0.000 0.424 381 I N 1.156 121.553 120.570 -0.288 0.000 2.099 381 I HA -0.335 3.838 4.170 0.004 0.000 0.239 381 I C 2.899 178.935 176.117 -0.135 0.000 1.066 381 I CA 1.676 62.661 61.300 -0.525 0.000 1.324 381 I CB -0.593 37.075 38.000 -0.554 0.000 1.037 381 I HN 0.186 nan 8.210 nan 0.000 0.401 382 A N 0.863 123.641 122.820 -0.070 0.000 1.958 382 A HA -0.291 4.032 4.320 0.004 0.000 0.221 382 A C 2.389 179.999 177.584 0.043 0.000 1.178 382 A CA 2.534 54.575 52.037 0.007 0.000 0.642 382 A CB -0.973 18.030 19.000 0.005 0.000 0.816 382 A HN 0.599 nan 8.150 nan 0.000 0.453 383 S N -1.089 114.631 115.700 0.032 0.000 2.547 383 S HA -0.036 4.437 4.470 0.004 0.000 0.235 383 S C 0.588 175.229 174.600 0.068 0.000 0.980 383 S CA 0.826 59.051 58.200 0.042 0.000 0.941 383 S CB -0.280 62.935 63.200 0.026 0.000 0.763 383 S HN 0.487 nan 8.310 nan 0.000 0.532 384 N N 1.439 120.210 118.700 0.119 0.000 2.640 384 N HA 0.168 4.910 4.740 0.004 0.000 0.262 384 N C -1.088 174.535 175.510 0.189 0.000 1.174 384 N CA -0.136 53.002 53.050 0.147 0.000 0.791 384 N CB 1.646 40.237 38.487 0.173 0.000 1.279 384 N HN 0.336 nan 8.380 nan 0.000 0.535 385 D N 2.236 122.713 120.400 0.128 0.000 2.340 385 D HA 0.078 4.720 4.640 0.004 0.000 0.220 385 D C 1.477 177.816 176.300 0.065 0.000 1.039 385 D CA 0.108 54.177 54.000 0.114 0.000 0.866 385 D CB 0.323 41.184 40.800 0.103 0.000 0.913 385 D HN 0.496 nan 8.370 nan 0.000 0.523 386 I N -0.421 120.177 120.570 0.047 0.000 2.333 386 I HA -0.140 4.033 4.170 0.004 0.000 0.246 386 I C 1.663 177.748 176.117 -0.053 0.000 1.106 386 I CA 0.413 61.715 61.300 0.005 0.000 1.411 386 I CB 0.059 38.059 38.000 -0.001 0.000 1.082 386 I HN 0.023 nan 8.210 nan 0.000 0.420 387 L N -0.305 120.867 121.223 -0.084 0.000 2.049 387 L HA -0.033 4.310 4.340 0.004 0.000 0.203 387 L C 0.119 176.717 176.870 -0.453 0.000 1.074 387 L CA 1.507 56.166 54.840 -0.303 0.000 0.749 387 L CB -0.652 41.178 42.059 -0.381 0.000 0.907 387 L HN 0.085 nan 8.230 nan 0.000 0.439 388 Y N 0.310 120.615 120.300 0.007 0.000 2.334 388 Y HA 0.484 5.037 4.550 0.004 0.000 0.336 388 Y C 0.139 176.048 175.900 0.015 0.000 0.960 388 Y CA -1.258 56.849 58.100 0.012 0.000 1.164 388 Y CB 0.567 39.038 38.460 0.018 0.000 1.155 388 Y HN 0.235 nan 8.280 nan 0.000 0.478 389 N N -0.854 117.906 118.700 0.099 0.000 3.106 389 N HA 0.235 4.978 4.740 0.004 0.000 0.253 389 N C -0.727 174.812 175.510 0.048 0.000 1.506 389 N CA -0.885 52.205 53.050 0.067 0.000 0.876 389 N CB 0.685 39.193 38.487 0.035 0.000 1.452 389 N HN 0.225 nan 8.380 nan 0.000 0.542 390 D N -0.611 119.810 120.400 0.035 0.000 2.219 390 D HA -0.027 4.616 4.640 0.004 0.000 0.205 390 D C 1.218 177.528 176.300 0.015 0.000 0.970 390 D CA 1.122 55.138 54.000 0.026 0.000 0.851 390 D CB 0.231 41.044 40.800 0.021 0.000 0.943 390 D HN 0.548 nan 8.370 nan 0.000 0.488 391 K N 0.376 120.781 120.400 0.008 0.000 1.980 391 K HA 0.075 4.397 4.320 0.004 0.000 0.208 391 K C 1.491 178.085 176.600 -0.010 0.000 1.043 391 K CA 0.695 56.981 56.287 -0.002 0.000 0.938 391 K CB 0.036 32.531 32.500 -0.007 0.000 0.724 391 K HN 0.045 nan 8.250 nan 0.000 0.438 392 L N 0.672 121.881 121.223 -0.023 0.000 2.610 392 L HA 0.225 4.568 4.340 0.004 0.000 0.232 392 L C 0.538 177.391 176.870 -0.029 0.000 1.149 392 L CA 0.055 54.869 54.840 -0.042 0.000 0.872 392 L CB -0.930 41.078 42.059 -0.084 0.000 0.992 392 L HN 0.495 nan 8.230 nan 0.000 0.447 393 G N 2.110 110.912 108.800 0.004 0.000 2.767 393 G HA2 -0.228 3.735 3.960 0.004 0.000 0.686 393 G HA3 -0.228 3.735 3.960 0.004 0.000 0.686 393 G C 0.026 174.976 174.900 0.084 0.000 1.213 393 G CA -0.094 45.028 45.100 0.037 0.000 0.803 393 G HN 0.539 nan 8.290 nan 0.000 0.603 394 K N 0.011 120.494 120.400 0.139 0.000 2.676 394 K HA 0.422 4.744 4.320 0.004 0.000 0.205 394 K C 0.335 177.077 176.600 0.236 0.000 1.084 394 K CA -0.522 55.926 56.287 0.268 0.000 1.057 394 K CB 0.936 33.548 32.500 0.187 0.000 0.791 394 K HN 0.440 nan 8.250 nan 0.000 0.484 395 K N 0.868 121.390 120.400 0.203 0.000 2.208 395 K HA 0.496 4.819 4.320 0.004 0.000 0.247 395 K C -1.025 175.684 176.600 0.181 0.000 0.953 395 K CA -1.037 55.324 56.287 0.122 0.000 0.837 395 K CB 2.609 35.146 32.500 0.061 0.000 1.131 395 K HN -0.130 nan 8.250 nan 0.000 0.431 396 V N 2.273 122.253 119.914 0.110 0.000 2.419 396 V HA 0.078 4.200 4.120 0.004 0.000 0.287 396 V C -0.653 175.477 176.094 0.060 0.000 1.017 396 V CA -0.919 61.467 62.300 0.144 0.000 0.844 396 V CB 1.394 33.292 31.823 0.124 0.000 1.011 396 V HN 0.741 nan 8.190 nan 0.000 0.429 397 D N 3.915 124.325 120.400 0.016 0.000 2.443 397 D HA 0.282 4.925 4.640 0.004 0.000 0.239 397 D C -0.366 175.895 176.300 -0.065 0.000 1.136 397 D CA 0.528 54.460 54.000 -0.113 0.000 0.879 397 D CB 0.722 41.498 40.800 -0.040 0.000 1.195 397 D HN 0.859 nan 8.370 nan 0.000 0.443 398 H N -0.970 118.093 119.070 -0.012 0.000 3.046 398 H HA 0.571 5.129 4.556 0.004 0.000 0.363 398 H C -0.874 174.416 175.328 -0.063 0.000 1.203 398 H CA -1.207 54.811 56.048 -0.050 0.000 1.169 398 H CB 0.541 30.272 29.762 -0.052 0.000 1.851 398 H HN 0.398 nan 8.280 nan 0.000 0.546 399 C N 1.240 120.580 119.300 0.068 0.000 3.090 399 C HA 0.875 5.337 4.460 0.004 0.000 0.305 399 C C -1.265 173.685 174.990 -0.067 0.000 1.292 399 C CA -0.863 58.173 59.018 0.031 0.000 1.482 399 C CB 0.337 28.063 27.740 -0.023 0.000 1.897 399 C HN 0.770 nan 8.230 nan 0.000 0.469 400 I N 1.973 122.558 120.570 0.025 0.000 2.447 400 I HA 0.669 4.842 4.170 0.004 0.000 0.287 400 I C -0.427 175.842 176.117 0.253 0.000 1.023 400 I CA -0.426 60.915 61.300 0.068 0.000 1.083 400 I CB 1.906 39.934 38.000 0.046 0.000 1.245 400 I HN 0.696 nan 8.210 nan 0.000 0.434 401 V N 7.441 127.468 119.914 0.188 0.000 2.525 401 V HA 0.514 4.636 4.120 0.004 0.000 0.299 401 V C -0.361 175.886 176.094 0.255 0.000 1.034 401 V CA -0.472 61.971 62.300 0.238 0.000 0.863 401 V CB 2.120 34.157 31.823 0.356 0.000 0.999 401 V HN 0.435 nan 8.190 nan 0.000 0.423 402 I N 5.906 126.614 120.570 0.229 0.000 2.466 402 I HA 0.456 4.629 4.170 0.004 0.000 0.279 402 I C -0.458 175.732 176.117 0.123 0.000 1.033 402 I CA -0.615 60.827 61.300 0.236 0.000 1.123 402 I CB 1.323 39.564 38.000 0.401 0.000 1.237 402 I HN 0.436 nan 8.210 nan 0.000 0.460 403 K N 4.943 125.440 120.400 0.161 0.000 2.207 403 K HA 0.332 4.655 4.320 0.004 0.000 0.255 403 K C -0.829 175.921 176.600 0.249 0.000 0.941 403 K CA -0.982 55.395 56.287 0.150 0.000 0.825 403 K CB 2.309 34.870 32.500 0.102 0.000 1.119 403 K HN 0.313 nan 8.250 nan 0.000 0.430 404 Y N 3.316 123.669 120.300 0.089 0.000 2.624 404 Y HA 0.090 4.642 4.550 0.004 0.000 0.354 404 Y C -0.524 175.424 175.900 0.080 0.000 1.051 404 Y CA -0.429 57.738 58.100 0.112 0.000 1.377 404 Y CB 0.328 38.870 38.460 0.138 0.000 1.168 404 Y HN 0.345 nan 8.280 nan 0.000 0.525 405 M N 7.142 126.644 119.600 -0.162 0.000 2.325 405 M HA 0.165 4.647 4.480 0.004 0.000 0.305 405 M C 1.180 177.258 176.300 -0.369 0.000 1.047 405 M CA -0.596 54.536 55.300 -0.280 0.000 0.981 405 M CB 1.134 33.610 32.600 -0.207 0.000 1.307 405 M HN 0.557 nan 8.290 nan 0.000 0.418 406 K N 2.755 122.729 120.400 -0.709 0.000 2.071 406 K HA -0.148 4.175 4.320 0.004 0.000 0.217 406 K C -1.065 175.423 176.600 -0.186 0.000 1.054 406 K CA 2.082 58.084 56.287 -0.475 0.000 0.937 406 K CB -1.229 31.020 32.500 -0.418 0.000 0.719 406 K HN 0.290 nan 8.250 nan 0.000 0.454 407 P HA -0.117 nan 4.420 nan 0.000 0.222 407 P C 0.998 178.280 177.300 -0.030 0.000 1.142 407 P CA 1.153 64.207 63.100 -0.076 0.000 0.788 407 P CB -0.061 31.594 31.700 -0.074 0.000 0.767 408 V N -5.641 114.271 119.914 -0.004 0.000 3.649 408 V HA 0.399 4.522 4.120 0.004 0.000 0.275 408 V C 1.263 177.381 176.094 0.040 0.000 1.281 408 V CA 0.366 62.694 62.300 0.046 0.000 1.143 408 V CB -1.076 30.823 31.823 0.126 0.000 0.892 408 V HN 0.286 nan 8.190 nan 0.000 0.441 409 G N 1.501 110.316 108.800 0.025 0.000 2.594 409 G HA2 -0.488 3.474 3.960 0.004 0.000 0.297 409 G HA3 -0.488 3.474 3.960 0.004 0.000 0.297 409 G C 0.467 175.400 174.900 0.055 0.000 1.273 409 G CA 0.924 46.044 45.100 0.034 0.000 0.974 409 G HN 0.629 nan 8.290 nan 0.000 0.552 410 D N 0.646 121.071 120.400 0.041 0.000 2.378 410 D HA 0.213 4.856 4.640 0.004 0.000 0.227 410 D C 1.504 177.828 176.300 0.039 0.000 1.012 410 D CA 1.097 55.123 54.000 0.044 0.000 0.905 410 D CB -0.155 40.661 40.800 0.026 0.000 0.895 410 D HN 0.401 nan 8.370 nan 0.000 0.532 411 S N 0.524 116.246 115.700 0.037 0.000 2.560 411 S HA 0.054 4.527 4.470 0.004 0.000 0.284 411 S C -0.031 174.576 174.600 0.012 0.000 1.327 411 S CA -0.098 58.117 58.200 0.024 0.000 1.055 411 S CB 0.841 64.058 63.200 0.028 0.000 0.868 411 S HN 0.126 nan 8.310 nan 0.000 0.506 412 K N 2.864 123.252 120.400 -0.020 0.000 2.270 412 K HA 0.503 4.825 4.320 0.004 0.000 0.255 412 K C -1.618 174.898 176.600 -0.141 0.000 0.936 412 K CA -0.557 55.694 56.287 -0.059 0.000 0.809 412 K CB 1.454 33.939 32.500 -0.025 0.000 1.131 412 K HN 0.392 nan 8.250 nan 0.000 0.427 413 V N 2.875 122.610 119.914 -0.298 0.000 2.384 413 V HA 0.565 4.687 4.120 0.004 0.000 0.287 413 V C -0.484 175.397 176.094 -0.355 0.000 1.020 413 V CA -0.695 61.374 62.300 -0.385 0.000 0.850 413 V CB 1.243 32.713 31.823 -0.588 0.000 0.987 413 V HN 0.878 nan 8.190 nan 0.000 0.436 414 A N 5.862 128.492 122.820 -0.315 0.000 2.355 414 A HA 0.989 5.311 4.320 0.004 0.000 0.317 414 A C -0.926 176.541 177.584 -0.196 0.000 1.094 414 A CA -0.656 51.271 52.037 -0.183 0.000 0.764 414 A CB 1.720 20.659 19.000 -0.101 0.000 1.230 414 A HN 0.800 nan 8.150 nan 0.000 0.448 415 M N 2.330 121.910 119.600 -0.035 0.000 2.267 415 M HA 0.469 4.952 4.480 0.004 0.000 0.289 415 M C -2.158 174.195 176.300 0.088 0.000 1.043 415 M CA -0.345 54.992 55.300 0.062 0.000 0.928 415 M CB 1.902 34.609 32.600 0.179 0.000 1.613 415 M HN 0.653 nan 8.290 nan 0.000 0.450 416 D N 2.979 123.418 120.400 0.065 0.000 2.646 416 D HA 0.389 5.032 4.640 0.004 0.000 0.245 416 D C -1.386 174.868 176.300 -0.076 0.000 1.099 416 D CA -0.327 53.635 54.000 -0.063 0.000 0.849 416 D CB 2.262 42.984 40.800 -0.130 0.000 1.448 416 D HN 0.603 nan 8.370 nan 0.000 0.489 417 E N 1.099 121.176 120.200 -0.204 0.000 2.199 417 E HA 0.318 4.671 4.350 0.004 0.000 0.265 417 E C -1.592 174.858 176.600 -0.249 0.000 0.882 417 E CA -0.569 55.783 56.400 -0.079 0.000 0.759 417 E CB 1.151 30.880 29.700 0.048 0.000 1.148 417 E HN 0.272 nan 8.360 nan 0.000 0.412 418 Y N 3.123 123.510 120.300 0.145 0.000 2.331 418 Y HA 0.353 4.906 4.550 0.004 0.000 0.338 418 Y C -0.969 175.089 175.900 0.264 0.000 0.976 418 Y CA -0.833 57.371 58.100 0.173 0.000 1.137 418 Y CB 1.056 39.604 38.460 0.147 0.000 1.172 418 Y HN 0.480 nan 8.280 nan 0.000 0.478 419 Y N 2.630 123.066 120.300 0.228 0.000 2.328 419 Y HA 0.641 5.193 4.550 0.003 0.000 0.333 419 Y C -0.758 175.274 175.900 0.220 0.000 0.958 419 Y CA -1.169 57.045 58.100 0.189 0.000 1.167 419 Y CB 1.127 39.662 38.460 0.126 0.000 1.151 419 Y HN 0.564 nan 8.280 nan 0.000 0.470 420 S N 4.203 119.875 115.700 -0.046 0.000 2.568 420 S HA 0.450 4.922 4.470 0.004 0.000 0.293 420 S C -1.138 173.330 174.600 -0.219 0.000 1.089 420 S CA -1.097 57.067 58.200 -0.060 0.000 0.945 420 S CB 1.642 64.857 63.200 0.024 0.000 1.077 420 S HN 0.617 nan 8.310 nan 0.000 0.485 421 E N 1.409 121.466 120.200 -0.238 0.000 2.313 421 E HA 0.415 4.768 4.350 0.004 0.000 0.276 421 E C -0.624 175.818 176.600 -0.264 0.000 1.031 421 E CA -0.199 55.966 56.400 -0.391 0.000 0.857 421 E CB 0.640 30.120 29.700 -0.366 0.000 1.040 421 E HN 0.349 nan 8.360 nan 0.000 0.408 422 L N 2.178 123.235 121.223 -0.277 0.000 2.299 422 L HA 0.486 4.829 4.340 0.004 0.000 0.268 422 L C 0.389 177.161 176.870 -0.164 0.000 1.012 422 L CA -1.457 53.281 54.840 -0.170 0.000 0.816 422 L CB 0.828 42.821 42.059 -0.110 0.000 1.355 422 L HN 0.526 nan 8.230 nan 0.000 0.457 423 M N 0.218 119.751 119.600 -0.111 0.000 2.248 423 M HA 0.290 4.772 4.480 0.004 0.000 0.337 423 M C 0.063 176.312 176.300 -0.084 0.000 1.121 423 M CA -0.034 55.210 55.300 -0.092 0.000 1.155 423 M CB 0.267 32.828 32.600 -0.065 0.000 1.514 423 M HN 0.446 nan 8.290 nan 0.000 0.452 424 L N 2.073 123.251 121.223 -0.075 0.000 3.608 424 L HA -0.279 4.063 4.340 0.004 0.000 0.422 424 L C 1.012 177.852 176.870 -0.050 0.000 1.260 424 L CA 0.636 55.445 54.840 -0.051 0.000 0.889 424 L CB -2.650 39.389 42.059 -0.033 0.000 1.821 424 L HN 1.347 nan 8.230 nan 0.000 0.884 425 G N -1.807 106.944 108.800 -0.083 0.000 2.304 425 G HA2 -0.259 3.704 3.960 0.004 0.000 0.252 425 G HA3 -0.259 3.704 3.960 0.004 0.000 0.252 425 G C 0.779 175.628 174.900 -0.086 0.000 1.014 425 G CA 0.231 45.289 45.100 -0.070 0.000 0.619 425 G HN 1.245 nan 8.290 nan 0.000 0.525 426 G N -0.447 108.311 108.800 -0.070 0.000 2.771 426 G HA2 0.459 4.421 3.960 0.004 0.000 0.242 426 G HA3 0.459 4.421 3.960 0.004 0.000 0.242 426 G C -0.198 174.579 174.900 -0.206 0.000 1.233 426 G CA 0.806 45.891 45.100 -0.025 0.000 0.858 426 G HN 0.875 nan 8.290 nan 0.000 0.591 427 H N -1.235 117.799 119.070 -0.061 0.000 3.008 427 H HA 0.480 5.038 4.556 0.004 0.000 0.354 427 H C -0.201 175.096 175.328 -0.052 0.000 1.252 427 H CA -0.795 55.159 56.048 -0.157 0.000 1.117 427 H CB 1.915 31.497 29.762 -0.300 0.000 1.857 427 H HN 0.583 nan 8.280 nan 0.000 0.547 428 N N 1.077 119.829 118.700 0.087 0.000 2.249 428 N HA 0.330 5.072 4.740 0.004 0.000 0.296 428 N C -1.318 174.331 175.510 0.233 0.000 1.051 428 N CA -0.622 52.508 53.050 0.132 0.000 0.815 428 N CB 2.305 40.835 38.487 0.073 0.000 1.487 428 N HN 0.547 nan 8.380 nan 0.000 0.475 429 R N 4.491 125.147 120.500 0.259 0.000 2.409 429 R HA 0.506 4.849 4.340 0.004 0.000 0.313 429 R C -1.068 175.378 176.300 0.242 0.000 0.953 429 R CA -0.450 55.843 56.100 0.322 0.000 0.849 429 R CB 0.774 31.245 30.300 0.286 0.000 1.171 429 R HN 0.560 nan 8.270 nan 0.000 0.458 430 I N 2.816 123.560 120.570 0.292 0.000 2.509 430 I HA 0.308 4.481 4.170 0.004 0.000 0.293 430 I C -0.463 175.844 176.117 0.317 0.000 1.020 430 I CA -0.675 60.775 61.300 0.249 0.000 1.088 430 I CB 2.319 40.426 38.000 0.180 0.000 1.267 430 I HN 0.639 nan 8.210 nan 0.000 0.430 431 S N 6.898 122.737 115.700 0.232 0.000 2.538 431 S HA 0.689 5.161 4.470 0.004 0.000 0.288 431 S C -0.921 173.812 174.600 0.221 0.000 1.108 431 S CA -0.725 57.624 58.200 0.247 0.000 0.971 431 S CB 2.010 65.318 63.200 0.181 0.000 1.041 431 S HN 0.618 nan 8.310 nan 0.000 0.483 432 I N 3.543 124.261 120.570 0.247 0.000 2.406 432 I HA 0.484 4.657 4.170 0.004 0.000 0.290 432 I C -0.971 175.255 176.117 0.181 0.000 0.999 432 I CA -0.502 60.916 61.300 0.195 0.000 1.124 432 I CB 1.200 39.311 38.000 0.185 0.000 1.289 432 I HN 0.922 nan 8.210 nan 0.000 0.441 433 H N 7.215 126.329 119.070 0.073 0.000 2.489 433 H HA 0.430 4.989 4.556 0.005 0.000 0.343 433 H C -1.601 173.751 175.328 0.039 0.000 1.086 433 H CA -0.640 55.441 56.048 0.056 0.000 1.198 433 H CB 1.631 31.423 29.762 0.050 0.000 1.490 433 H HN 0.607 nan 8.280 nan 0.000 0.504 434 N N 4.242 122.772 118.700 -0.284 0.000 2.430 434 N HA 0.222 4.965 4.740 0.004 0.000 0.290 434 N C -1.894 173.518 175.510 -0.164 0.000 1.063 434 N CA -0.422 52.553 53.050 -0.125 0.000 0.883 434 N CB 2.041 40.485 38.487 -0.071 0.000 1.465 434 N HN 0.366 nan 8.380 nan 0.000 0.493 435 V N 4.237 124.118 119.914 -0.055 0.000 2.588 435 V HA 0.884 5.006 4.120 0.004 0.000 0.304 435 V C -0.546 175.545 176.094 -0.005 0.000 1.042 435 V CA -0.322 61.948 62.300 -0.050 0.000 0.877 435 V CB 0.701 32.526 31.823 0.003 0.000 0.996 435 V HN 0.978 nan 8.190 nan 0.000 0.425 436 C N 3.586 122.881 119.300 -0.010 0.000 3.259 436 C HA 0.604 5.066 4.460 0.004 0.000 0.344 436 C C -0.820 174.178 174.990 0.012 0.000 1.401 436 C CA -0.758 58.267 59.018 0.012 0.000 1.219 436 C CB 1.436 29.188 27.740 0.020 0.000 1.521 436 C HN 0.892 nan 8.230 nan 0.000 0.455 437 E N 1.297 121.510 120.200 0.022 0.000 2.129 437 E HA 0.098 4.450 4.350 0.004 0.000 0.283 437 E C 0.018 176.632 176.600 0.023 0.000 1.080 437 E CA 0.062 56.475 56.400 0.022 0.000 0.867 437 E CB 1.267 30.979 29.700 0.021 0.000 1.056 437 E HN 0.637 nan 8.360 nan 0.000 0.404 438 D N 2.152 122.565 120.400 0.023 0.000 2.116 438 D HA -0.159 4.483 4.640 0.004 0.000 0.193 438 D C 1.546 177.864 176.300 0.030 0.000 0.998 438 D CA 1.430 55.445 54.000 0.026 0.000 0.836 438 D CB 0.174 40.991 40.800 0.029 0.000 0.951 438 D HN 0.236 nan 8.370 nan 0.000 0.449 439 S N -0.602 115.113 115.700 0.025 0.000 2.419 439 S HA -0.117 4.356 4.470 0.004 0.000 0.235 439 S C 1.519 176.135 174.600 0.025 0.000 1.019 439 S CA 0.277 58.490 58.200 0.021 0.000 0.982 439 S CB -0.111 63.094 63.200 0.009 0.000 0.789 439 S HN 0.204 nan 8.310 nan 0.000 0.490 440 L N 0.604 121.844 121.223 0.028 0.000 2.610 440 L HA 0.228 4.570 4.340 0.004 0.000 0.232 440 L C 1.466 178.373 176.870 0.061 0.000 1.149 440 L CA 1.059 55.922 54.840 0.039 0.000 0.872 440 L CB -0.533 41.549 42.059 0.038 0.000 0.992 440 L HN 0.320 nan 8.230 nan 0.000 0.447 441 L N -2.686 118.571 121.223 0.058 0.000 2.547 441 L HA 0.180 4.522 4.340 0.004 0.000 0.218 441 L C 2.329 179.241 176.870 0.070 0.000 1.048 441 L CA 0.674 55.556 54.840 0.070 0.000 0.859 441 L CB -0.152 41.941 42.059 0.057 0.000 1.128 441 L HN 0.131 nan 8.230 nan 0.000 0.483 442 A N 0.045 122.898 122.820 0.055 0.000 1.902 442 A HA -0.178 4.144 4.320 0.004 0.000 0.217 442 A C 2.225 179.838 177.584 0.048 0.000 1.181 442 A CA 2.371 54.440 52.037 0.052 0.000 0.623 442 A CB -0.818 18.205 19.000 0.039 0.000 0.818 442 A HN 0.340 nan 8.150 nan 0.000 0.443 443 T N 0.695 115.276 114.554 0.045 0.000 2.652 443 T HA -0.092 4.260 4.350 0.004 0.000 0.267 443 T C -0.275 174.460 174.700 0.057 0.000 1.039 443 T CA 1.785 63.913 62.100 0.047 0.000 1.153 443 T CB -1.150 67.747 68.868 0.049 0.000 0.863 443 T HN 0.464 nan 8.240 nan 0.000 0.428 444 P HA 0.005 nan 4.420 nan 0.000 0.220 444 P C 1.761 179.074 177.300 0.022 0.000 1.148 444 P CA 0.724 63.866 63.100 0.070 0.000 0.803 444 P CB -0.191 31.578 31.700 0.115 0.000 0.782 445 L N -0.535 120.719 121.223 0.052 0.000 2.017 445 L HA -0.132 4.211 4.340 0.004 0.000 0.208 445 L C 2.565 179.351 176.870 -0.141 0.000 1.073 445 L CA 1.629 56.487 54.840 0.031 0.000 0.745 445 L CB -0.813 41.321 42.059 0.125 0.000 0.894 445 L HN -0.219 nan 8.230 nan 0.000 0.432 446 I N -0.435 120.100 120.570 -0.057 0.000 2.208 446 I HA -0.354 3.818 4.170 0.004 0.000 0.245 446 I C 2.366 178.436 176.117 -0.079 0.000 1.097 446 I CA 1.542 62.801 61.300 -0.069 0.000 1.363 446 I CB -0.242 37.746 38.000 -0.019 0.000 1.051 446 I HN 0.304 nan 8.210 nan 0.000 0.413 447 I N 0.406 120.959 120.570 -0.028 0.000 2.179 447 I HA -0.312 3.861 4.170 0.004 0.000 0.242 447 I C 2.136 178.180 176.117 -0.122 0.000 1.088 447 I CA 1.424 62.742 61.300 0.031 0.000 1.357 447 I CB -0.622 37.349 38.000 -0.049 0.000 1.051 447 I HN 0.269 nan 8.210 nan 0.000 0.409 448 D N 1.091 121.306 120.400 -0.309 0.000 2.104 448 D HA -0.162 4.480 4.640 0.004 0.000 0.194 448 D C 2.371 178.191 176.300 -0.799 0.000 0.994 448 D CA 1.263 54.927 54.000 -0.560 0.000 0.830 448 D CB -0.387 39.941 40.800 -0.787 0.000 0.959 448 D HN 0.287 nan 8.370 nan 0.000 0.452 449 L N 0.386 121.087 121.223 -0.870 0.000 2.043 449 L HA -0.207 4.135 4.340 0.004 0.000 0.212 449 L C 2.622 179.339 176.870 -0.255 0.000 1.075 449 L CA 0.851 55.328 54.840 -0.604 0.000 0.752 449 L CB -0.380 41.475 42.059 -0.339 0.000 0.891 449 L HN 0.049 nan 8.230 nan 0.000 0.432 450 L N -1.506 119.629 121.223 -0.145 0.000 2.044 450 L HA -0.160 4.182 4.340 0.004 0.000 0.205 450 L C 2.473 179.376 176.870 0.056 0.000 1.075 450 L CA 0.681 55.487 54.840 -0.058 0.000 0.747 450 L CB -0.540 41.449 42.059 -0.117 0.000 0.903 450 L HN -0.006 nan 8.230 nan 0.000 0.435 451 V N -0.493 119.491 119.914 0.116 0.000 2.594 451 V HA -0.269 3.854 4.120 0.004 0.000 0.253 451 V C 2.437 178.598 176.094 0.111 0.000 1.069 451 V CA 1.417 63.801 62.300 0.141 0.000 1.082 451 V CB -0.304 31.542 31.823 0.039 0.000 0.680 451 V HN 0.380 nan 8.190 nan 0.000 0.469 452 M N -0.599 119.011 119.600 0.016 0.000 2.357 452 M HA -0.028 4.454 4.480 0.004 0.000 0.266 452 M C 2.483 178.912 176.300 0.216 0.000 1.095 452 M CA 1.984 57.349 55.300 0.108 0.000 1.156 452 M CB -1.245 31.376 32.600 0.035 0.000 1.365 452 M HN 0.530 nan 8.290 nan 0.000 0.447 453 T N -0.267 114.373 114.554 0.143 0.000 2.867 453 T HA -0.152 4.201 4.350 0.004 0.000 0.268 453 T C 1.719 176.602 174.700 0.305 0.000 1.057 453 T CA 1.522 63.766 62.100 0.241 0.000 1.136 453 T CB -0.016 68.963 68.868 0.186 0.000 0.874 453 T HN 0.294 nan 8.240 nan 0.000 0.466 454 E N 0.228 120.557 120.200 0.215 0.000 2.028 454 E HA -0.122 4.231 4.350 0.004 0.000 0.191 454 E C 1.905 178.651 176.600 0.244 0.000 0.988 454 E CA 1.206 57.717 56.400 0.184 0.000 0.799 454 E CB -0.693 29.102 29.700 0.158 0.000 0.755 454 E HN 0.652 nan 8.360 nan 0.000 0.447 455 F N 1.157 121.194 119.950 0.144 0.000 2.147 455 F HA -0.300 4.230 4.527 0.005 0.000 0.301 455 F C 2.524 178.472 175.800 0.247 0.000 1.084 455 F CA 1.875 59.965 58.000 0.150 0.000 1.268 455 F CB -0.333 38.742 39.000 0.125 0.000 1.009 455 F HN 0.138 nan 8.300 nan 0.000 0.486 456 C N 0.081 119.689 119.300 0.513 0.000 2.457 456 C HA -0.145 4.318 4.460 0.004 0.000 0.278 456 C C 2.910 178.270 174.990 0.616 0.000 1.309 456 C CA 1.597 61.041 59.018 0.709 0.000 1.735 456 C CB -1.500 26.672 27.740 0.720 0.000 1.992 456 C HN 0.705 nan 8.230 nan 0.000 0.493 457 T N -0.613 114.138 114.554 0.329 0.000 2.849 457 T HA -0.182 4.171 4.350 0.004 0.000 0.270 457 T C 1.558 176.227 174.700 -0.052 0.000 1.066 457 T CA 1.155 63.216 62.100 -0.064 0.000 1.130 457 T CB -0.437 68.350 68.868 -0.133 0.000 0.864 457 T HN 0.587 nan 8.240 nan 0.000 0.481 458 R N 0.536 121.003 120.500 -0.055 0.000 2.356 458 R HA 0.364 4.706 4.340 0.004 0.000 0.234 458 R C -0.482 175.713 176.300 -0.175 0.000 0.929 458 R CA -0.165 55.853 56.100 -0.137 0.000 1.084 458 R CB 0.390 30.575 30.300 -0.192 0.000 1.105 458 R HN 0.304 nan 8.270 nan 0.000 0.515 459 V N 0.926 120.793 119.914 -0.078 0.000 2.513 459 V HA 0.349 4.472 4.120 0.004 0.000 0.299 459 V C -0.010 176.053 176.094 -0.051 0.000 1.035 459 V CA -0.656 61.589 62.300 -0.091 0.000 0.889 459 V CB 1.832 33.657 31.823 0.003 0.000 0.988 459 V HN 0.236 nan 8.190 nan 0.000 0.440 460 S N 3.749 119.427 115.700 -0.038 0.000 2.627 460 S HA 0.927 5.400 4.470 0.004 0.000 0.283 460 S C -1.182 173.549 174.600 0.218 0.000 1.127 460 S CA -0.764 57.451 58.200 0.025 0.000 0.863 460 S CB 2.266 65.426 63.200 -0.066 0.000 1.121 460 S HN 1.002 nan 8.310 nan 0.000 0.479 461 Y N -1.129 119.295 120.300 0.205 0.000 2.625 461 Y HA 0.823 5.376 4.550 0.004 0.000 0.338 461 Y C -1.133 174.844 175.900 0.127 0.000 1.123 461 Y CA -1.075 57.114 58.100 0.149 0.000 1.046 461 Y CB 1.449 39.799 38.460 -0.182 0.000 1.299 461 Y HN 0.896 nan 8.280 nan 0.000 0.464 462 K N 2.350 122.695 120.400 -0.092 0.000 2.468 462 K HA 0.364 4.687 4.320 0.004 0.000 0.252 462 K C -1.433 175.132 176.600 -0.059 0.000 0.932 462 K CA -0.798 55.300 56.287 -0.315 0.000 0.794 462 K CB 2.012 33.987 32.500 -0.874 0.000 1.241 462 K HN 0.891 nan 8.250 nan 0.000 0.428 463 K N 2.039 122.411 120.400 -0.047 0.000 2.350 463 K HA 0.212 4.534 4.320 0.004 0.000 0.279 463 K C -0.628 175.860 176.600 -0.186 0.000 1.027 463 K CA -0.287 55.908 56.287 -0.153 0.000 0.969 463 K CB 1.244 33.686 32.500 -0.097 0.000 0.954 463 K HN 0.251 nan 8.250 nan 0.000 0.474 464 V N 2.913 122.701 119.914 -0.210 0.000 2.540 464 V HA 0.078 4.201 4.120 0.004 0.000 0.302 464 V C -0.563 175.456 176.094 -0.125 0.000 1.035 464 V CA -0.886 61.326 62.300 -0.147 0.000 0.873 464 V CB 1.890 33.646 31.823 -0.113 0.000 0.992 464 V HN 0.732 nan 8.190 nan 0.000 0.428 465 D N 6.796 127.140 120.400 -0.094 0.000 2.317 465 D HA 0.329 4.972 4.640 0.004 0.000 0.234 465 D C -1.213 175.053 176.300 -0.056 0.000 1.112 465 D CA -1.960 51.996 54.000 -0.072 0.000 0.840 465 D CB 2.375 43.139 40.800 -0.061 0.000 1.078 465 D HN 0.259 nan 8.370 nan 0.000 0.486 466 P HA -0.170 nan 4.420 nan 0.000 0.215 466 P C 1.449 178.732 177.300 -0.029 0.000 1.153 466 P CA 1.126 64.204 63.100 -0.036 0.000 0.853 466 P CB 0.130 31.811 31.700 -0.033 0.000 0.788 467 V N -1.811 118.086 119.914 -0.028 0.000 2.591 467 V HA 0.048 4.170 4.120 0.004 0.000 0.249 467 V C 1.568 177.649 176.094 -0.023 0.000 1.053 467 V CA 1.029 63.316 62.300 -0.023 0.000 1.068 467 V CB -1.450 30.361 31.823 -0.020 0.000 0.689 467 V HN -0.059 nan 8.190 nan 0.000 0.462 468 K N 2.135 122.518 120.400 -0.028 0.000 2.184 468 K HA 0.192 4.515 4.320 0.004 0.000 0.259 468 K C -0.087 176.493 176.600 -0.033 0.000 1.119 468 K CA -0.131 56.138 56.287 -0.030 0.000 0.991 468 K CB -0.207 32.272 32.500 -0.035 0.000 1.522 468 K HN 0.595 nan 8.250 nan 0.000 0.405 469 E N 4.063 124.247 120.200 -0.026 0.000 1.943 469 E HA -0.132 4.221 4.350 0.004 0.000 0.254 469 E C -0.871 175.710 176.600 -0.030 0.000 1.239 469 E CA 0.304 56.689 56.400 -0.025 0.000 1.027 469 E CB -0.278 29.412 29.700 -0.016 0.000 1.087 469 E HN 0.549 nan 8.360 nan 0.000 0.437 470 D N 0.803 121.177 120.400 -0.043 0.000 5.420 470 D HA -0.067 4.575 4.640 0.004 0.000 0.226 470 D C -1.508 174.752 176.300 -0.068 0.000 1.651 470 D CA 0.563 54.529 54.000 -0.057 0.000 1.359 470 D CB -0.600 40.173 40.800 -0.045 0.000 0.520 470 D HN 0.401 nan 8.370 nan 0.000 0.259 471 A N 2.191 124.954 122.820 -0.094 0.000 2.973 471 A HA 1.055 5.378 4.320 0.004 0.000 0.267 471 A C 1.112 178.608 177.584 -0.147 0.000 1.210 471 A CA 0.826 52.804 52.037 -0.099 0.000 0.749 471 A CB 0.620 19.569 19.000 -0.085 0.000 1.373 471 A HN 1.814 nan 8.150 nan 0.000 0.585 472 G N -0.564 108.151 108.800 -0.142 0.000 2.641 472 G HA2 0.133 4.096 3.960 0.004 0.000 0.254 472 G HA3 0.133 4.096 3.960 0.004 0.000 0.254 472 G C -0.126 174.647 174.900 -0.212 0.000 1.315 472 G CA 0.893 45.881 45.100 -0.186 0.000 0.907 472 G HN 1.951 nan 8.290 nan 0.000 0.572 473 K N -1.347 118.882 120.400 -0.286 0.000 2.577 473 K HA 0.348 4.671 4.320 0.004 0.000 0.267 473 K C -0.739 175.691 176.600 -0.283 0.000 0.979 473 K CA -0.913 55.226 56.287 -0.246 0.000 0.942 473 K CB 0.017 32.445 32.500 -0.120 0.000 1.343 473 K HN 0.612 nan 8.250 nan 0.000 0.436 474 F N 3.098 122.959 119.950 -0.149 0.000 2.549 474 F HA -0.018 4.511 4.527 0.004 0.000 0.400 474 F C 0.872 176.515 175.800 -0.261 0.000 1.011 474 F CA 0.755 58.625 58.000 -0.215 0.000 1.148 474 F CB 0.374 39.280 39.000 -0.157 0.000 0.993 474 F HN 0.516 nan 8.300 nan 0.000 0.540 475 E N 2.156 122.194 120.200 -0.270 0.000 2.299 475 E HA 0.366 4.718 4.350 0.004 0.000 0.260 475 E C -0.827 175.620 176.600 -0.255 0.000 0.944 475 E CA -1.107 55.137 56.400 -0.260 0.000 0.815 475 E CB 1.275 30.817 29.700 -0.264 0.000 1.252 475 E HN 0.517 nan 8.360 nan 0.000 0.418 476 N N -0.055 118.643 118.700 -0.004 0.000 2.495 476 N HA 0.286 5.029 4.740 0.004 0.000 0.280 476 N C -0.940 174.887 175.510 0.529 0.000 1.168 476 N CA -0.652 52.522 53.050 0.207 0.000 0.978 476 N CB 0.462 39.059 38.487 0.183 0.000 1.191 476 N HN 0.207 nan 8.380 nan 0.000 0.497 477 F N 1.331 121.636 119.950 0.591 0.000 2.594 477 F HA -0.137 4.393 4.527 0.004 0.000 0.384 477 F C 0.783 176.778 175.800 0.325 0.000 1.060 477 F CA 0.131 58.416 58.000 0.475 0.000 1.278 477 F CB -0.186 39.028 39.000 0.357 0.000 0.977 477 F HN 0.389 nan 8.300 nan 0.000 0.576 478 Y N 6.584 127.105 120.300 0.368 0.000 2.881 478 Y HA -0.054 4.498 4.550 0.004 0.000 0.335 478 Y C -1.453 174.502 175.900 0.092 0.000 1.263 478 Y CA -1.320 56.875 58.100 0.159 0.000 1.572 478 Y CB 0.233 38.692 38.460 -0.002 0.000 1.237 478 Y HN 0.473 nan 8.280 nan 0.000 0.568 479 P HA -0.301 nan 4.420 nan 0.000 0.222 479 P C 0.005 177.020 177.300 -0.474 0.000 1.159 479 P CA 1.880 64.756 63.100 -0.373 0.000 0.920 479 P CB -0.073 31.404 31.700 -0.372 0.000 0.793 480 V N 1.450 120.979 119.914 -0.642 0.000 2.356 480 V HA -0.083 4.039 4.120 0.004 0.000 0.244 480 V C 0.883 176.807 176.094 -0.284 0.000 1.120 480 V CA 0.321 62.439 62.300 -0.303 0.000 1.181 480 V CB -1.416 30.415 31.823 0.013 0.000 1.244 480 V HN 0.100 nan 8.190 nan 0.000 0.487 481 L N 5.515 126.473 121.223 -0.441 0.000 2.694 481 L HA -0.006 4.337 4.340 0.004 0.000 0.287 481 L C 1.910 178.629 176.870 -0.252 0.000 1.249 481 L CA 0.297 54.852 54.840 -0.474 0.000 1.177 481 L CB -0.443 41.281 42.059 -0.559 0.000 1.435 481 L HN 0.779 nan 8.230 nan 0.000 0.440 482 T N -2.970 111.416 114.554 -0.280 0.000 3.118 482 T HA -0.090 4.263 4.350 0.004 0.000 0.260 482 T C 1.451 176.040 174.700 -0.185 0.000 1.139 482 T CA 0.334 62.307 62.100 -0.212 0.000 1.085 482 T CB -0.241 68.466 68.868 -0.268 0.000 0.934 482 T HN 0.398 nan 8.240 nan 0.000 0.518 483 F N 0.731 120.513 119.950 -0.281 0.000 2.269 483 F HA 0.078 4.608 4.527 0.004 0.000 0.301 483 F C 1.324 177.114 175.800 -0.016 0.000 1.082 483 F CA 0.188 58.054 58.000 -0.224 0.000 1.360 483 F CB -0.003 38.779 39.000 -0.362 0.000 1.041 483 F HN 0.194 nan 8.300 nan 0.000 0.512 484 L N -0.994 120.386 121.223 0.262 0.000 2.612 484 L HA 0.027 4.369 4.340 0.004 0.000 0.230 484 L C 2.006 179.078 176.870 0.336 0.000 1.140 484 L CA 0.640 55.777 54.840 0.495 0.000 0.896 484 L CB -1.439 40.857 42.059 0.395 0.000 1.065 484 L HN -0.100 nan 8.230 nan 0.000 0.447 485 S N -0.696 115.081 115.700 0.128 0.000 2.387 485 S HA -0.298 4.175 4.470 0.004 0.000 0.230 485 S C 1.904 176.499 174.600 -0.008 0.000 1.035 485 S CA 1.346 59.575 58.200 0.050 0.000 1.014 485 S CB -0.502 62.693 63.200 -0.008 0.000 0.836 485 S HN 0.596 nan 8.310 nan 0.000 0.466 486 Y N 0.582 120.720 120.300 -0.270 0.000 2.219 486 Y HA -0.214 4.338 4.550 0.004 0.000 0.283 486 Y C 1.440 177.046 175.900 -0.490 0.000 1.191 486 Y CA 1.733 59.515 58.100 -0.531 0.000 1.199 486 Y CB -0.092 37.715 38.460 -1.089 0.000 0.972 486 Y HN 0.402 nan 8.280 nan 0.000 0.527 487 W N -0.057 121.299 121.300 0.092 0.000 3.123 487 W HA 0.366 5.029 4.660 0.004 0.000 0.383 487 W C -1.034 175.471 176.519 -0.024 0.000 1.102 487 W CA -0.176 57.168 57.345 -0.002 0.000 1.865 487 W CB 0.005 29.528 29.460 0.105 0.000 1.111 487 W HN -0.102 nan 8.180 nan 0.000 0.621 488 L N 0.815 122.116 121.223 0.130 0.000 2.404 488 L HA 0.268 4.610 4.340 0.004 0.000 0.272 488 L C 1.546 178.432 176.870 0.027 0.000 0.980 488 L CA -0.345 54.553 54.840 0.097 0.000 0.836 488 L CB 2.434 44.568 42.059 0.125 0.000 1.238 488 L HN -0.255 nan 8.230 nan 0.000 0.408 489 K N 2.733 123.138 120.400 0.010 0.000 2.089 489 K HA -0.138 4.184 4.320 0.004 0.000 0.210 489 K C 0.674 177.267 176.600 -0.011 0.000 1.048 489 K CA 1.792 58.069 56.287 -0.017 0.000 0.926 489 K CB 0.152 32.642 32.500 -0.016 0.000 0.714 489 K HN 0.677 nan 8.250 nan 0.000 0.448 490 A N 2.045 124.872 122.820 0.012 0.000 2.786 490 A HA 0.358 4.681 4.320 0.004 0.000 0.346 490 A C -2.617 174.991 177.584 0.040 0.000 1.265 490 A CA -1.674 50.376 52.037 0.022 0.000 0.858 490 A CB 0.654 19.675 19.000 0.035 0.000 1.118 490 A HN 0.057 nan 8.150 nan 0.000 0.482 491 P HA 0.126 nan 4.420 nan 0.000 0.262 491 P C 0.021 177.346 177.300 0.043 0.000 1.199 491 P CA -0.029 63.091 63.100 0.033 0.000 0.763 491 P CB 0.497 32.202 31.700 0.008 0.000 0.790 492 L N 4.750 126.008 121.223 0.058 0.000 2.452 492 L HA 0.405 4.748 4.340 0.004 0.000 0.267 492 L C -0.029 176.857 176.870 0.027 0.000 1.188 492 L CA 1.201 56.081 54.840 0.067 0.000 0.821 492 L CB 0.418 42.535 42.059 0.096 0.000 1.102 492 L HN 0.368 nan 8.230 nan 0.000 0.470 493 T N 2.946 117.526 114.554 0.043 0.000 2.883 493 T HA 0.492 4.844 4.350 0.004 0.000 0.296 493 T C -1.025 173.693 174.700 0.029 0.000 1.117 493 T CA -0.926 61.184 62.100 0.015 0.000 1.006 493 T CB 1.362 70.264 68.868 0.057 0.000 1.191 493 T HN 0.724 nan 8.240 nan 0.000 0.508 494 R N 1.661 122.118 120.500 -0.072 0.000 2.438 494 R HA 0.276 4.619 4.340 0.004 0.000 0.287 494 R C -2.157 174.193 176.300 0.083 0.000 1.077 494 R CA -1.545 54.502 56.100 -0.089 0.000 1.034 494 R CB -0.341 29.624 30.300 -0.558 0.000 0.993 494 R HN 0.319 nan 8.270 nan 0.000 0.459 495 P HA -0.160 nan 4.420 nan 0.000 0.277 495 P C 0.141 177.513 177.300 0.121 0.000 1.436 495 P CA 1.265 64.432 63.100 0.112 0.000 0.772 495 P CB -0.346 31.406 31.700 0.086 0.000 1.637 496 G N -1.943 106.978 108.800 0.202 0.000 2.937 496 G HA2 0.144 4.107 3.960 0.004 0.000 0.162 496 G HA3 0.144 4.107 3.960 0.004 0.000 0.162 496 G C -0.347 174.486 174.900 -0.112 0.000 1.352 496 G CA -0.178 44.940 45.100 0.030 0.000 0.843 496 G HN 0.091 nan 8.290 nan 0.000 0.965 497 F N 2.393 122.287 119.950 -0.092 0.000 2.422 497 F HA 0.648 5.178 4.527 0.004 0.000 0.333 497 F C 0.413 176.220 175.800 0.013 0.000 1.095 497 F CA -1.590 56.340 58.000 -0.117 0.000 1.038 497 F CB 0.981 39.917 39.000 -0.106 0.000 1.156 497 F HN -0.066 nan 8.300 nan 0.000 0.483 498 H N 2.181 121.324 119.070 0.122 0.000 2.615 498 H HA 0.270 4.828 4.556 0.004 0.000 0.363 498 H C -2.047 173.321 175.328 0.067 0.000 1.148 498 H CA -2.070 54.020 56.048 0.070 0.000 1.401 498 H CB 0.129 29.909 29.762 0.031 0.000 1.461 498 H HN 0.300 nan 8.280 nan 0.000 0.588 499 P HA 0.065 nan 4.420 nan 0.000 0.275 499 P C -0.415 176.921 177.300 0.061 0.000 1.228 499 P CA -0.369 62.780 63.100 0.082 0.000 0.786 499 P CB 1.130 32.857 31.700 0.046 0.000 0.927 500 V N 2.680 122.612 119.914 0.029 0.000 2.347 500 V HA 0.282 4.405 4.120 0.004 0.000 0.280 500 V C 0.429 176.520 176.094 -0.006 0.000 1.021 500 V CA -0.274 62.036 62.300 0.015 0.000 0.847 500 V CB 0.201 32.027 31.823 0.006 0.000 0.990 500 V HN 0.450 nan 8.190 nan 0.000 0.444 501 N N 4.170 122.863 118.700 -0.012 0.000 2.205 501 N HA 0.257 5.000 4.740 0.004 0.000 0.201 501 N C 1.090 176.578 175.510 -0.036 0.000 1.128 501 N CA 0.332 53.363 53.050 -0.031 0.000 0.867 501 N CB 0.535 39.000 38.487 -0.037 0.000 0.996 501 N HN 0.832 nan 8.380 nan 0.000 0.503 502 G N 1.293 110.083 108.800 -0.017 0.000 2.298 502 G HA2 -0.055 3.908 3.960 0.004 0.000 0.284 502 G HA3 -0.055 3.908 3.960 0.004 0.000 0.284 502 G C 1.072 175.965 174.900 -0.012 0.000 1.013 502 G CA -0.111 44.984 45.100 -0.008 0.000 1.365 502 G HN 0.182 nan 8.290 nan 0.000 0.415 503 L N 3.072 124.272 121.223 -0.039 0.000 2.010 503 L HA -0.257 4.086 4.340 0.004 0.000 0.219 503 L C 2.518 179.422 176.870 0.057 0.000 1.077 503 L CA 2.167 56.975 54.840 -0.054 0.000 0.773 503 L CB -0.142 41.854 42.059 -0.104 0.000 0.892 503 L HN 0.582 nan 8.230 nan 0.000 0.436 504 N N -0.750 117.981 118.700 0.051 0.000 2.381 504 N HA -0.180 4.562 4.740 0.004 0.000 0.182 504 N C 1.718 177.264 175.510 0.060 0.000 1.025 504 N CA 1.137 54.229 53.050 0.069 0.000 0.888 504 N CB -0.115 38.403 38.487 0.052 0.000 0.965 504 N HN 0.473 nan 8.380 nan 0.000 0.438 505 K N 0.918 121.347 120.400 0.048 0.000 2.243 505 K HA 0.036 4.359 4.320 0.004 0.000 0.201 505 K C 1.966 178.593 176.600 0.045 0.000 1.051 505 K CA 0.525 56.837 56.287 0.041 0.000 0.970 505 K CB 0.177 32.695 32.500 0.030 0.000 0.755 505 K HN 0.164 nan 8.250 nan 0.000 0.465 506 Q N -0.169 119.666 119.800 0.058 0.000 2.172 506 Q HA -0.059 4.283 4.340 0.004 0.000 0.200 506 Q C 2.015 178.035 176.000 0.033 0.000 0.964 506 Q CA 1.021 56.861 55.803 0.061 0.000 0.855 506 Q CB 0.138 28.925 28.738 0.081 0.000 0.918 506 Q HN 0.150 nan 8.270 nan 0.000 0.444 507 R N -0.213 120.305 120.500 0.029 0.000 2.093 507 R HA -0.053 4.289 4.340 0.004 0.000 0.224 507 R C 1.870 178.149 176.300 -0.036 0.000 1.101 507 R CA 1.377 57.384 56.100 -0.155 0.000 0.979 507 R CB 0.041 30.215 30.300 -0.209 0.000 0.877 507 R HN 0.124 nan 8.270 nan 0.000 0.441 508 T N 0.746 115.309 114.554 0.015 0.000 2.759 508 T HA -0.134 4.219 4.350 0.004 0.000 0.269 508 T C 1.741 176.475 174.700 0.057 0.000 1.042 508 T CA 1.393 63.513 62.100 0.034 0.000 1.140 508 T CB -0.238 68.655 68.868 0.041 0.000 0.864 508 T HN 0.444 nan 8.240 nan 0.000 0.455 509 A N 0.865 123.736 122.820 0.084 0.000 1.940 509 A HA -0.006 4.316 4.320 0.004 0.000 0.219 509 A C 2.256 179.966 177.584 0.210 0.000 1.176 509 A CA 1.241 53.374 52.037 0.161 0.000 0.631 509 A CB -0.673 18.424 19.000 0.161 0.000 0.814 509 A HN 0.495 nan 8.150 nan 0.000 0.446 510 L N -0.567 120.713 121.223 0.094 0.000 2.127 510 L HA -0.131 4.212 4.340 0.004 0.000 0.203 510 L C 2.751 179.590 176.870 -0.050 0.000 1.080 510 L CA 1.407 56.248 54.840 0.002 0.000 0.768 510 L CB -0.558 41.522 42.059 0.034 0.000 0.924 510 L HN 0.702 nan 8.230 nan 0.000 0.444 511 E N 0.180 120.356 120.200 -0.040 0.000 2.106 511 E HA -0.224 4.128 4.350 0.004 0.000 0.192 511 E C 1.573 178.108 176.600 -0.108 0.000 0.984 511 E CA 1.478 57.802 56.400 -0.126 0.000 0.806 511 E CB -0.458 29.200 29.700 -0.069 0.000 0.750 511 E HN 0.535 nan 8.360 nan 0.000 0.458 512 N N 0.083 118.769 118.700 -0.022 0.000 2.104 512 N HA -0.147 4.595 4.740 0.004 0.000 0.190 512 N C 1.657 177.150 175.510 -0.028 0.000 1.024 512 N CA 1.267 54.314 53.050 -0.005 0.000 0.853 512 N CB -0.269 38.257 38.487 0.064 0.000 1.008 512 N HN 0.160 nan 8.380 nan 0.000 0.424 513 F N 1.668 121.499 119.950 -0.198 0.000 2.069 513 F HA -0.173 4.357 4.527 0.004 0.000 0.298 513 F C 2.021 177.629 175.800 -0.321 0.000 1.113 513 F CA 1.037 58.857 58.000 -0.300 0.000 1.214 513 F CB -0.015 38.746 39.000 -0.399 0.000 0.978 513 F HN -0.012 nan 8.300 nan 0.000 0.474 514 L N -0.162 120.824 121.223 -0.396 0.000 2.046 514 L HA -0.225 4.118 4.340 0.004 0.000 0.208 514 L C 2.637 179.283 176.870 -0.373 0.000 1.077 514 L CA 1.295 55.833 54.840 -0.503 0.000 0.747 514 L CB -0.728 41.001 42.059 -0.551 0.000 0.896 514 L HN 0.101 nan 8.230 nan 0.000 0.432 515 R N 0.199 120.533 120.500 -0.277 0.000 2.096 515 R HA -0.219 4.123 4.340 0.004 0.000 0.240 515 R C 2.346 178.536 176.300 -0.183 0.000 1.139 515 R CA 1.860 57.846 56.100 -0.191 0.000 0.952 515 R CB -0.480 29.741 30.300 -0.133 0.000 0.854 515 R HN 0.397 nan 8.270 nan 0.000 0.436 516 L N 0.319 121.387 121.223 -0.259 0.000 2.141 516 L HA -0.119 4.224 4.340 0.004 0.000 0.209 516 L C 1.836 178.559 176.870 -0.245 0.000 1.094 516 L CA 1.486 56.151 54.840 -0.291 0.000 0.763 516 L CB -0.361 41.312 42.059 -0.643 0.000 0.908 516 L HN 0.228 nan 8.230 nan 0.000 0.437 517 L N 0.968 121.965 121.223 -0.376 0.000 2.131 517 L HA -0.142 4.201 4.340 0.004 0.000 0.210 517 L C 2.235 179.024 176.870 -0.136 0.000 1.092 517 L CA 1.374 56.035 54.840 -0.299 0.000 0.759 517 L CB -0.333 41.490 42.059 -0.393 0.000 0.903 517 L HN 0.466 nan 8.230 nan 0.000 0.435 518 I N -3.024 117.477 120.570 -0.116 0.000 3.850 518 I HA 0.412 4.585 4.170 0.004 0.000 0.333 518 I C 1.043 177.159 176.117 -0.000 0.000 1.511 518 I CA 0.127 61.405 61.300 -0.036 0.000 1.199 518 I CB -0.364 37.616 38.000 -0.033 0.000 1.217 518 I HN 0.174 nan 8.210 nan 0.000 0.423 519 G N 1.722 110.530 108.800 0.014 0.000 2.160 519 G HA2 -0.242 3.720 3.960 0.004 0.000 0.251 519 G HA3 -0.242 3.720 3.960 0.004 0.000 0.251 519 G C -0.142 174.792 174.900 0.057 0.000 1.008 519 G CA 0.258 45.395 45.100 0.062 0.000 0.724 519 G HN 0.483 nan 8.290 nan 0.000 0.514 520 L N 1.071 122.308 121.223 0.024 0.000 2.334 520 L HA 0.602 4.945 4.340 0.004 0.000 0.273 520 L C -1.457 175.443 176.870 0.049 0.000 1.013 520 L CA -2.403 52.449 54.840 0.021 0.000 0.816 520 L CB 2.063 44.109 42.059 -0.021 0.000 1.278 520 L HN -0.023 nan 8.230 nan 0.000 0.431 521 P HA 0.155 nan 4.420 nan 0.000 0.278 521 P C -0.508 176.830 177.300 0.063 0.000 1.266 521 P CA -0.493 62.673 63.100 0.110 0.000 0.807 521 P CB 0.979 32.733 31.700 0.089 0.000 1.094 522 S N 0.625 116.381 115.700 0.093 0.000 2.558 522 S HA -0.009 4.464 4.470 0.004 0.000 0.287 522 S C 0.575 175.187 174.600 0.020 0.000 1.321 522 S CA -0.178 58.060 58.200 0.062 0.000 1.048 522 S CB -0.287 62.968 63.200 0.092 0.000 0.844 522 S HN 0.307 nan 8.310 nan 0.000 0.512 523 Q N 2.195 121.995 119.800 -0.000 0.000 2.352 523 Q HA 0.076 4.419 4.340 0.004 0.000 0.260 523 Q C 0.686 176.670 176.000 -0.027 0.000 0.976 523 Q CA 0.014 55.802 55.803 -0.025 0.000 0.881 523 Q CB 0.402 29.123 28.738 -0.028 0.000 1.235 523 Q HN 0.838 nan 8.270 nan 0.000 0.419 524 N N 0.208 118.875 118.700 -0.056 0.000 2.332 524 N HA -0.046 4.697 4.740 0.004 0.000 0.190 524 N C -0.303 175.151 175.510 -0.093 0.000 1.117 524 N CA -0.008 52.998 53.050 -0.073 0.000 0.883 524 N CB 0.554 38.976 38.487 -0.108 0.000 1.089 524 N HN 0.363 nan 8.380 nan 0.000 0.480 525 E N -0.607 119.537 120.200 -0.095 0.000 3.673 525 E HA -0.183 4.169 4.350 0.004 0.000 0.309 525 E C 0.642 177.166 176.600 -0.127 0.000 0.819 525 E CA 0.700 57.050 56.400 -0.083 0.000 1.111 525 E CB -1.920 27.756 29.700 -0.039 0.000 1.561 525 E HN 0.531 nan 8.360 nan 0.000 0.450 526 L N -0.193 120.881 121.223 -0.249 0.000 2.362 526 L HA 0.022 4.364 4.340 0.004 0.000 0.219 526 L C 1.110 177.780 176.870 -0.334 0.000 1.134 526 L CA 0.848 55.439 54.840 -0.414 0.000 0.807 526 L CB -0.345 41.130 42.059 -0.974 0.000 0.927 526 L HN 0.058 nan 8.230 nan 0.000 0.447 527 R N -0.919 119.456 120.500 -0.209 0.000 3.266 527 R HA -0.237 4.106 4.340 0.004 0.000 0.245 527 R C 0.491 176.854 176.300 0.105 0.000 0.941 527 R CA 0.181 56.251 56.100 -0.050 0.000 0.638 527 R CB -2.025 28.280 30.300 0.008 0.000 1.019 527 R HN 0.146 nan 8.270 nan 0.000 0.462 528 F N 1.079 121.034 119.950 0.008 0.000 2.408 528 F HA -0.143 4.387 4.527 0.004 0.000 0.300 528 F C 2.359 178.163 175.800 0.007 0.000 1.090 528 F CA 1.475 59.480 58.000 0.008 0.000 1.427 528 F CB -0.211 38.793 39.000 0.007 0.000 1.070 528 F HN 0.302 nan 8.300 nan 0.000 0.549 529 E N 0.042 120.354 120.200 0.188 0.000 2.511 529 E HA -0.143 4.210 4.350 0.004 0.000 0.196 529 E C 1.561 178.212 176.600 0.085 0.000 1.066 529 E CA 0.611 57.077 56.400 0.110 0.000 0.871 529 E CB -0.253 29.490 29.700 0.072 0.000 0.863 529 E HN 0.468 nan 8.360 nan 0.000 0.520 530 E N 1.385 121.647 120.200 0.102 0.000 2.306 530 E HA 0.050 4.403 4.350 0.004 0.000 0.201 530 E C 1.730 178.377 176.600 0.079 0.000 0.874 530 E CA -0.044 56.400 56.400 0.074 0.000 0.972 530 E CB 0.248 29.987 29.700 0.064 0.000 0.957 530 E HN 0.101 nan 8.360 nan 0.000 0.492 531 R N -0.063 120.512 120.500 0.125 0.000 2.323 531 R HA 0.037 4.379 4.340 0.004 0.000 0.198 531 R C 0.738 177.068 176.300 0.049 0.000 0.988 531 R CA 0.302 56.476 56.100 0.123 0.000 1.041 531 R CB 0.278 30.729 30.300 0.252 0.000 0.926 531 R HN 0.066 nan 8.270 nan 0.000 0.476 532 L N -1.665 119.574 121.223 0.027 0.000 3.912 532 L HA 0.366 4.709 4.340 0.004 0.000 0.199 532 L C 0.208 177.065 176.870 -0.023 0.000 1.172 532 L CA 0.010 54.825 54.840 -0.042 0.000 1.013 532 L CB -0.627 41.349 42.059 -0.139 0.000 1.692 532 L HN -0.008 nan 8.230 nan 0.000 0.705 533 L N 0.000 121.214 121.223 -0.015 0.000 2.949 533 L HA 0.000 4.343 4.340 0.004 0.000 0.249 533 L CA 0.000 54.837 54.840 -0.006 0.000 0.813 533 L CB 0.000 42.061 42.059 0.003 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502