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 2x2n_1_C DATA FIRST_RESID 30 DATA SEQUENCE TDPPVYPVTV PILGHIIQFG KSPLGFMQEC KRQLKSGIFT INIVGKRVTI DATA SEQUENCE VGDPHEHSRF FLPRNEVLSP REVYSFMVPV FGEGVAYAAP YPRMREQLNF DATA SEQUENCE LAEELTIAKF QNFVPAIQHE VRKFMAANWD KDEGEINLLE DCSTMIINTA DATA SEQUENCE CQCLFGEDLR KRLDARRFAQ LLAKMESSLI PAAVFLPILL KLPLPQSARC DATA SEQUENCE HEARTELQKI LSEIIIARKA AXXXXXXXTS DLLSGLLSAV YRDGTPMSLH DATA SEQUENCE EVCGMIVAAM FAGQHTSSIT TTWSMLHLMH PANVKHLEAL RKEIEEFPAQ DATA SEQUENCE LNYNNVMDEM PFAERCARES IRRDPPLLML MRKVMADVKV GSYVVPKGDI DATA SEQUENCE IACSPLLSHH DEEAFPEPRR WDPERDEKVE GAFIGFGAGV HKCIGQKFGL DATA SEQUENCE LQVKTILATA FRSYDFQLLR DEVPDPDYHT MVVGPTASQC RVKYIRRK 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 30 T HA 0.000 nan 4.350 nan 0.000 0.228 30 T C 0.000 174.830 174.700 0.216 0.000 1.109 30 T CA 0.000 62.200 62.100 0.167 0.000 1.349 30 T CB 0.000 68.925 68.868 0.095 0.000 0.612 31 D N 3.443 123.929 120.400 0.142 0.000 2.302 31 D HA 0.527 5.167 4.640 0.001 0.000 0.248 31 D C -2.366 173.902 176.300 -0.052 0.000 1.094 31 D CA -1.122 52.911 54.000 0.055 0.000 0.897 31 D CB 1.134 41.950 40.800 0.028 0.000 1.200 31 D HN 0.124 nan 8.370 nan 0.000 0.429 32 P HA 0.182 nan 4.420 nan 0.000 0.272 32 P C -2.545 174.588 177.300 -0.278 0.000 1.240 32 P CA -1.087 61.641 63.100 -0.620 0.000 0.791 32 P CB -0.042 31.383 31.700 -0.458 0.000 0.978 33 P HA 0.046 nan 4.420 nan 0.000 0.276 33 P C -0.598 176.729 177.300 0.046 0.000 1.243 33 P CA 0.181 63.259 63.100 -0.037 0.000 0.768 33 P CB 0.324 32.029 31.700 0.008 0.000 0.856 34 V N 4.587 124.539 119.914 0.063 0.000 2.953 34 V HA 0.118 4.239 4.120 0.001 0.000 0.304 34 V C 0.337 176.536 176.094 0.174 0.000 1.073 34 V CA -0.407 61.972 62.300 0.132 0.000 1.064 34 V CB 0.102 31.988 31.823 0.104 0.000 1.047 34 V HN 0.446 nan 8.190 nan 0.000 0.478 35 Y N 3.914 124.289 120.300 0.126 0.000 2.310 35 Y HA 0.460 5.011 4.550 0.001 0.000 0.326 35 Y C -2.133 173.896 175.900 0.215 0.000 1.151 35 Y CA -2.535 55.614 58.100 0.081 0.000 1.195 35 Y CB 1.464 39.872 38.460 -0.086 0.000 1.210 35 Y HN 0.477 nan 8.280 nan 0.000 0.483 36 P HA 0.006 nan 4.420 nan 0.000 0.263 36 P C -1.069 176.376 177.300 0.241 0.000 1.195 36 P CA 0.154 63.230 63.100 -0.041 0.000 0.762 36 P CB 0.394 31.968 31.700 -0.210 0.000 0.799 37 V N 3.986 123.971 119.914 0.119 0.000 2.488 37 V HA 0.157 4.277 4.120 0.001 0.000 0.277 37 V C 1.304 177.400 176.094 0.003 0.000 1.046 37 V CA 0.603 62.887 62.300 -0.027 0.000 0.986 37 V CB 0.540 32.286 31.823 -0.128 0.000 0.989 37 V HN 0.747 nan 8.190 nan 0.000 0.475 38 T N 1.029 115.597 114.554 0.024 0.000 3.288 38 T HA 0.360 4.711 4.350 0.001 0.000 0.293 38 T C -0.335 174.363 174.700 -0.003 0.000 1.008 38 T CA -0.246 61.864 62.100 0.016 0.000 0.929 38 T CB 0.146 69.040 68.868 0.042 0.000 1.152 38 T HN 0.256 nan 8.240 nan 0.000 0.517 39 V N 2.302 122.193 119.914 -0.037 0.000 2.482 39 V HA 0.479 4.600 4.120 0.001 0.000 0.295 39 V C -2.656 173.397 176.094 -0.069 0.000 1.026 39 V CA -2.234 60.038 62.300 -0.048 0.000 0.856 39 V CB 1.783 33.574 31.823 -0.053 0.000 1.001 39 V HN 0.127 nan 8.190 nan 0.000 0.424 40 P HA 0.326 nan 4.420 nan 0.000 0.266 40 P C 1.089 178.354 177.300 -0.058 0.000 1.195 40 P CA 0.427 63.496 63.100 -0.051 0.000 0.768 40 P CB 0.486 32.165 31.700 -0.035 0.000 0.838 41 I N -0.915 119.619 120.570 -0.060 0.000 4.497 41 I HA -0.431 3.740 4.170 0.001 0.000 0.059 41 I C 1.756 177.828 176.117 -0.075 0.000 0.607 41 I CA 1.446 62.712 61.300 -0.057 0.000 0.958 41 I CB -1.466 36.509 38.000 -0.041 0.000 0.864 41 I HN 0.318 nan 8.210 nan 0.000 0.166 42 L N 0.598 121.773 121.223 -0.080 0.000 2.141 42 L HA -0.001 4.340 4.340 0.001 0.000 0.209 42 L C 1.852 178.636 176.870 -0.143 0.000 1.094 42 L CA 1.672 56.455 54.840 -0.096 0.000 0.763 42 L CB -0.848 41.164 42.059 -0.079 0.000 0.908 42 L HN 0.830 nan 8.230 nan 0.000 0.437 43 G N -0.215 108.478 108.800 -0.178 0.000 2.652 43 G HA2 -0.374 3.587 3.960 0.001 0.000 0.278 43 G HA3 -0.374 3.587 3.960 0.001 0.000 0.278 43 G C 0.452 175.125 174.900 -0.379 0.000 1.263 43 G CA 0.530 45.443 45.100 -0.312 0.000 0.966 43 G HN 0.472 nan 8.290 nan 0.000 0.544 44 H N 0.051 119.053 119.070 -0.114 0.000 2.893 44 H HA 0.483 5.040 4.556 0.001 0.000 0.270 44 H C 2.215 177.370 175.328 -0.288 0.000 1.095 44 H CA 0.202 56.131 56.048 -0.199 0.000 1.186 44 H CB 0.627 30.316 29.762 -0.123 0.000 1.562 44 H HN 0.357 nan 8.280 nan 0.000 0.536 45 I N 0.848 121.333 120.570 -0.142 0.000 2.208 45 I HA -0.278 3.893 4.170 0.001 0.000 0.245 45 I C 1.337 177.411 176.117 -0.072 0.000 1.097 45 I CA 1.173 62.387 61.300 -0.144 0.000 1.363 45 I CB 0.109 38.011 38.000 -0.164 0.000 1.051 45 I HN 0.234 nan 8.210 nan 0.000 0.413 46 I N 1.406 121.923 120.570 -0.088 0.000 2.113 46 I HA -0.310 3.861 4.170 0.001 0.000 0.238 46 I C 2.713 178.770 176.117 -0.100 0.000 1.070 46 I CA 1.725 62.983 61.300 -0.071 0.000 1.332 46 I CB -1.715 36.249 38.000 -0.060 0.000 1.044 46 I HN 0.480 nan 8.210 nan 0.000 0.402 47 Q N -0.397 119.296 119.800 -0.179 0.000 2.291 47 Q HA -0.228 4.113 4.340 0.001 0.000 0.206 47 Q C 2.261 178.010 176.000 -0.419 0.000 0.976 47 Q CA 1.577 57.213 55.803 -0.279 0.000 0.875 47 Q CB -0.875 27.675 28.738 -0.312 0.000 0.927 47 Q HN 0.451 nan 8.270 nan 0.000 0.450 48 F N 1.929 121.538 119.950 -0.569 0.000 2.187 48 F HA 0.134 4.662 4.527 0.002 0.000 0.295 48 F C 2.168 177.886 175.800 -0.135 0.000 1.091 48 F CA 1.554 59.333 58.000 -0.368 0.000 1.308 48 F CB -0.225 38.609 39.000 -0.278 0.000 1.030 48 F HN 0.115 nan 8.300 nan 0.000 0.487 49 G N -0.285 108.545 108.800 0.050 0.000 2.464 49 G HA2 -0.142 3.819 3.960 0.001 0.000 0.217 49 G HA3 -0.142 3.819 3.960 0.001 0.000 0.217 49 G C 1.766 176.705 174.900 0.064 0.000 1.138 49 G CA 0.926 46.065 45.100 0.065 0.000 0.793 49 G HN 0.499 nan 8.290 nan 0.000 0.539 50 K N 0.364 120.765 120.400 0.003 0.000 1.977 50 K HA 0.049 4.370 4.320 0.001 0.000 0.218 50 K C 1.591 178.185 176.600 -0.010 0.000 1.051 50 K CA 1.722 58.022 56.287 0.023 0.000 0.953 50 K CB -0.962 31.530 32.500 -0.013 0.000 0.727 50 K HN 0.362 nan 8.250 nan 0.000 0.445 51 S N 0.309 115.944 115.700 -0.108 0.000 2.395 51 S HA 0.464 4.935 4.470 0.001 0.000 0.207 51 S C -2.356 172.023 174.600 -0.368 0.000 1.454 51 S CA -1.373 56.720 58.200 -0.179 0.000 1.211 51 S CB 1.384 64.530 63.200 -0.091 0.000 1.093 51 S HN 0.186 nan 8.310 nan 0.000 0.472 52 P HA -0.142 nan 4.420 nan 0.000 0.216 52 P C 1.482 178.409 177.300 -0.621 0.000 1.157 52 P CA 0.677 63.193 63.100 -0.974 0.000 0.880 52 P CB 0.180 31.253 31.700 -1.045 0.000 0.791 53 L N -0.634 120.237 121.223 -0.587 0.000 2.023 53 L HA 0.091 4.432 4.340 0.001 0.000 0.205 53 L C 2.351 179.058 176.870 -0.271 0.000 1.073 53 L CA 2.333 56.928 54.840 -0.410 0.000 0.745 53 L CB -1.686 40.100 42.059 -0.454 0.000 0.900 53 L HN -0.045 nan 8.230 nan 0.000 0.435 54 G N -0.498 108.169 108.800 -0.221 0.000 2.553 54 G HA2 -0.418 3.543 3.960 0.001 0.000 0.218 54 G HA3 -0.418 3.543 3.960 0.001 0.000 0.218 54 G C 1.594 176.427 174.900 -0.111 0.000 1.195 54 G CA 1.268 46.291 45.100 -0.128 0.000 0.779 54 G HN 0.490 nan 8.290 nan 0.000 0.577 55 F N 1.040 120.842 119.950 -0.246 0.000 2.102 55 F HA -0.003 4.525 4.527 0.001 0.000 0.298 55 F C 2.809 178.446 175.800 -0.272 0.000 1.105 55 F CA 1.930 59.781 58.000 -0.250 0.000 1.239 55 F CB -0.240 38.621 39.000 -0.231 0.000 0.991 55 F HN 0.093 nan 8.300 nan 0.000 0.474 56 M N -0.188 119.169 119.600 -0.406 0.000 2.159 56 M HA -0.249 4.232 4.480 0.001 0.000 0.263 56 M C 2.289 178.355 176.300 -0.390 0.000 1.063 56 M CA 1.757 56.823 55.300 -0.389 0.000 1.110 56 M CB -0.563 32.011 32.600 -0.042 0.000 1.374 56 M HN 0.290 nan 8.290 nan 0.000 0.411 57 Q N -0.260 119.374 119.800 -0.276 0.000 2.119 57 Q HA -0.165 4.176 4.340 0.001 0.000 0.201 57 Q C 1.975 177.816 176.000 -0.266 0.000 0.972 57 Q CA 0.940 56.617 55.803 -0.211 0.000 0.847 57 Q CB 0.044 28.703 28.738 -0.131 0.000 0.903 57 Q HN 0.373 nan 8.270 nan 0.000 0.433 58 E N 0.020 120.030 120.200 -0.317 0.000 2.077 58 E HA -0.169 4.182 4.350 0.001 0.000 0.193 58 E C 2.074 178.428 176.600 -0.410 0.000 0.989 58 E CA 0.784 57.013 56.400 -0.286 0.000 0.800 58 E CB -0.280 29.293 29.700 -0.212 0.000 0.746 58 E HN 0.385 nan 8.360 nan 0.000 0.452 59 C N 0.869 119.686 119.300 -0.806 0.000 2.413 59 C HA -0.131 4.330 4.460 0.001 0.000 0.278 59 C C 2.719 177.204 174.990 -0.841 0.000 1.224 59 C CA 1.024 59.429 59.018 -1.021 0.000 1.732 59 C CB -0.817 25.880 27.740 -1.738 0.000 2.050 59 C HN 0.478 nan 8.230 nan 0.000 0.463 60 K N 0.396 120.253 120.400 -0.904 0.000 2.089 60 K HA -0.221 4.100 4.320 0.001 0.000 0.210 60 K C 2.432 178.901 176.600 -0.219 0.000 1.048 60 K CA 1.538 57.562 56.287 -0.439 0.000 0.926 60 K CB -0.191 32.188 32.500 -0.202 0.000 0.714 60 K HN 0.375 nan 8.250 nan 0.000 0.448 61 R N 0.577 120.957 120.500 -0.201 0.000 2.107 61 R HA -0.121 4.220 4.340 0.001 0.000 0.223 61 R C 2.415 178.667 176.300 -0.080 0.000 1.138 61 R CA 1.989 58.025 56.100 -0.107 0.000 0.900 61 R CB -0.732 29.513 30.300 -0.091 0.000 0.814 61 R HN 0.400 nan 8.270 nan 0.000 0.437 62 Q N 0.294 120.054 119.800 -0.066 0.000 2.197 62 Q HA -0.142 4.199 4.340 0.001 0.000 0.207 62 Q C 2.018 177.999 176.000 -0.032 0.000 0.984 62 Q CA 1.339 57.128 55.803 -0.024 0.000 0.869 62 Q CB -0.078 28.678 28.738 0.029 0.000 0.906 62 Q HN 0.332 nan 8.270 nan 0.000 0.426 63 L N 0.091 121.282 121.223 -0.053 0.000 2.558 63 L HA 0.036 4.377 4.340 0.001 0.000 0.225 63 L C 0.044 176.915 176.870 0.002 0.000 1.128 63 L CA 0.053 54.876 54.840 -0.029 0.000 0.868 63 L CB 0.052 42.086 42.059 -0.042 0.000 1.006 63 L HN 0.083 nan 8.230 nan 0.000 0.454 64 K N 0.749 121.142 120.400 -0.011 0.000 3.451 64 K HA -0.183 4.138 4.320 0.001 0.000 0.273 64 K C -0.132 176.505 176.600 0.060 0.000 0.944 64 K CA 0.416 56.714 56.287 0.017 0.000 0.734 64 K CB -1.350 31.164 32.500 0.024 0.000 1.437 64 K HN 0.257 nan 8.250 nan 0.000 0.454 65 S N -1.997 113.742 115.700 0.065 0.000 2.548 65 S HA 0.480 4.951 4.470 0.001 0.000 0.278 65 S C 0.963 175.670 174.600 0.178 0.000 1.150 65 S CA -0.170 58.121 58.200 0.151 0.000 0.907 65 S CB 1.685 65.011 63.200 0.211 0.000 1.108 65 S HN 0.352 nan 8.310 nan 0.000 0.459 66 G N 2.708 111.631 108.800 0.205 0.000 2.421 66 G HA2 0.159 4.120 3.960 0.001 0.000 0.217 66 G HA3 0.159 4.120 3.960 0.001 0.000 0.217 66 G C 0.301 175.385 174.900 0.308 0.000 1.143 66 G CA 0.463 45.704 45.100 0.235 0.000 0.784 66 G HN 0.645 nan 8.290 nan 0.000 0.541 67 I N 1.527 122.249 120.570 0.253 0.000 2.307 67 I HA 0.467 4.638 4.170 0.001 0.000 0.289 67 I C -0.746 175.411 176.117 0.066 0.000 1.021 67 I CA -0.799 60.565 61.300 0.106 0.000 1.224 67 I CB 0.839 38.920 38.000 0.135 0.000 1.376 67 I HN 0.188 nan 8.210 nan 0.000 0.470 68 F N 2.534 122.419 119.950 -0.108 0.000 2.686 68 F HA 0.714 5.242 4.527 0.002 0.000 0.311 68 F C -0.936 174.807 175.800 -0.094 0.000 1.128 68 F CA -0.792 57.130 58.000 -0.129 0.000 0.946 68 F CB 1.359 40.306 39.000 -0.089 0.000 1.336 68 F HN 0.037 nan 8.300 nan 0.000 0.457 69 T N 3.414 118.007 114.554 0.065 0.000 2.829 69 T HA 0.734 5.085 4.350 0.001 0.000 0.280 69 T C -0.311 174.498 174.700 0.183 0.000 0.999 69 T CA -0.547 61.555 62.100 0.002 0.000 0.983 69 T CB 1.418 70.287 68.868 0.002 0.000 0.968 69 T HN 0.771 nan 8.240 nan 0.000 0.446 70 I N 0.207 120.858 120.570 0.136 0.000 3.067 70 I HA 0.771 4.942 4.170 0.001 0.000 0.312 70 I C -0.737 175.526 176.117 0.243 0.000 1.073 70 I CA -1.271 60.205 61.300 0.293 0.000 1.016 70 I CB 2.236 40.402 38.000 0.276 0.000 1.227 70 I HN 0.427 nan 8.210 nan 0.000 0.456 71 N N 2.679 121.621 118.700 0.403 0.000 2.417 71 N HA 0.564 5.305 4.740 0.001 0.000 0.274 71 N C -1.524 173.938 175.510 -0.080 0.000 0.987 71 N CA -0.516 52.567 53.050 0.055 0.000 0.912 71 N CB 1.239 39.680 38.487 -0.077 0.000 1.177 71 N HN 0.649 nan 8.380 nan 0.000 0.490 72 I N 4.297 124.738 120.570 -0.215 0.000 2.420 72 I HA 0.209 4.380 4.170 0.001 0.000 0.282 72 I C 0.170 176.124 176.117 -0.271 0.000 1.019 72 I CA -1.028 60.035 61.300 -0.394 0.000 1.130 72 I CB 1.485 38.932 38.000 -0.921 0.000 1.262 72 I HN 0.361 nan 8.210 nan 0.000 0.454 73 V N 5.877 125.680 119.914 -0.185 0.000 5.175 73 V HA -0.322 3.799 4.120 0.001 0.000 0.279 73 V C 1.446 177.503 176.094 -0.062 0.000 0.571 73 V CA 1.411 63.650 62.300 -0.100 0.000 0.694 73 V CB -2.064 29.723 31.823 -0.061 0.000 0.525 73 V HN 1.274 nan 8.190 nan 0.000 1.093 74 G N -1.463 107.292 108.800 -0.074 0.000 2.234 74 G HA2 -0.228 3.733 3.960 0.001 0.000 0.235 74 G HA3 -0.228 3.733 3.960 0.001 0.000 0.235 74 G C 0.104 174.990 174.900 -0.023 0.000 0.997 74 G CA 0.201 45.276 45.100 -0.042 0.000 0.623 74 G HN 0.637 nan 8.290 nan 0.000 0.514 75 K N 0.962 121.350 120.400 -0.020 0.000 2.172 75 K HA 0.450 4.771 4.320 0.001 0.000 0.276 75 K C 0.277 176.874 176.600 -0.005 0.000 1.013 75 K CA -0.710 55.588 56.287 0.017 0.000 0.913 75 K CB 1.408 33.966 32.500 0.096 0.000 1.055 75 K HN 0.232 nan 8.250 nan 0.000 0.461 76 R N 1.519 122.026 120.500 0.011 0.000 2.296 76 R HA 0.161 4.502 4.340 0.001 0.000 0.323 76 R C -0.424 175.878 176.300 0.005 0.000 1.067 76 R CA -0.237 55.868 56.100 0.008 0.000 0.946 76 R CB 0.499 30.804 30.300 0.009 0.000 0.991 76 R HN 0.238 nan 8.270 nan 0.000 0.448 77 V N 3.812 123.715 119.914 -0.017 0.000 2.313 77 V HA 0.144 4.265 4.120 0.001 0.000 0.278 77 V C 0.085 176.119 176.094 -0.100 0.000 1.017 77 V CA -0.623 61.653 62.300 -0.041 0.000 0.823 77 V CB 1.534 33.312 31.823 -0.076 0.000 1.010 77 V HN 0.723 nan 8.190 nan 0.000 0.443 78 T N 6.772 121.259 114.554 -0.111 0.000 2.729 78 T HA 0.531 4.882 4.350 0.001 0.000 0.296 78 T C 0.081 174.614 174.700 -0.278 0.000 0.928 78 T CA 0.056 62.041 62.100 -0.191 0.000 1.045 78 T CB 0.402 69.197 68.868 -0.121 0.000 0.902 78 T HN 0.361 nan 8.240 nan 0.000 0.500 79 I N 3.187 123.448 120.570 -0.516 0.000 2.353 79 I HA 0.253 4.424 4.170 0.001 0.000 0.293 79 I C 0.073 175.932 176.117 -0.429 0.000 0.992 79 I CA -0.829 60.142 61.300 -0.547 0.000 1.268 79 I CB 1.624 39.142 38.000 -0.804 0.000 1.387 79 I HN 0.280 nan 8.210 nan 0.000 0.478 80 V N 6.322 126.073 119.914 -0.271 0.000 2.218 80 V HA 0.185 4.305 4.120 0.001 0.000 0.261 80 V C 1.154 177.241 176.094 -0.011 0.000 1.142 80 V CA -0.041 62.194 62.300 -0.108 0.000 0.965 80 V CB 0.500 32.281 31.823 -0.070 0.000 1.190 80 V HN 1.034 nan 8.190 nan 0.000 0.478 81 G N 1.734 110.547 108.800 0.022 0.000 3.141 81 G HA2 0.005 3.965 3.960 0.001 0.000 0.218 81 G HA3 0.005 3.965 3.960 0.001 0.000 0.218 81 G C 0.304 175.292 174.900 0.147 0.000 1.170 81 G CA -0.103 45.073 45.100 0.126 0.000 0.769 81 G HN 0.574 nan 8.290 nan 0.000 0.546 82 D N 0.448 120.920 120.400 0.121 0.000 2.317 82 D HA 0.292 4.933 4.640 0.001 0.000 0.234 82 D C -1.535 174.714 176.300 -0.085 0.000 1.112 82 D CA -2.329 51.718 54.000 0.079 0.000 0.840 82 D CB 2.242 43.121 40.800 0.131 0.000 1.078 82 D HN -0.076 nan 8.370 nan 0.000 0.486 83 P HA -0.117 nan 4.420 nan 0.000 0.220 83 P C 0.988 177.952 177.300 -0.559 0.000 1.148 83 P CA 0.970 63.575 63.100 -0.824 0.000 0.803 83 P CB 0.110 31.507 31.700 -0.504 0.000 0.782 84 H N -0.646 118.321 119.070 -0.172 0.000 2.521 84 H HA 0.001 4.558 4.556 0.001 0.000 0.286 84 H C 0.972 176.296 175.328 -0.006 0.000 1.034 84 H CA 0.961 56.969 56.048 -0.066 0.000 1.278 84 H CB 0.052 29.796 29.762 -0.030 0.000 1.386 84 H HN 0.258 nan 8.280 nan 0.000 0.567 85 E N -0.373 119.890 120.200 0.106 0.000 2.501 85 E HA 0.026 4.377 4.350 0.001 0.000 0.201 85 E C 1.304 178.053 176.600 0.248 0.000 1.016 85 E CA -0.125 56.370 56.400 0.159 0.000 0.920 85 E CB 0.028 29.816 29.700 0.146 0.000 1.023 85 E HN 0.661 nan 8.360 nan 0.000 0.474 86 H N 1.056 120.244 119.070 0.196 0.000 2.357 86 H HA -0.158 4.399 4.556 0.001 0.000 0.296 86 H C 2.286 177.839 175.328 0.375 0.000 1.108 86 H CA 1.725 57.950 56.048 0.295 0.000 1.273 86 H CB 0.294 30.297 29.762 0.401 0.000 1.367 86 H HN 0.150 nan 8.280 nan 0.000 0.498 87 S N 0.683 116.647 115.700 0.439 0.000 2.442 87 S HA -0.110 4.361 4.470 0.001 0.000 0.236 87 S C 1.906 176.656 174.600 0.250 0.000 1.007 87 S CA 0.675 59.087 58.200 0.354 0.000 0.965 87 S CB -0.029 63.312 63.200 0.235 0.000 0.773 87 S HN 0.291 nan 8.310 nan 0.000 0.504 88 R N -0.224 120.403 120.500 0.212 0.000 2.276 88 R HA 0.229 4.570 4.340 0.001 0.000 0.203 88 R C 1.435 177.804 176.300 0.115 0.000 1.017 88 R CA 0.521 56.704 56.100 0.138 0.000 1.010 88 R CB -0.678 29.698 30.300 0.127 0.000 0.900 88 R HN 0.668 nan 8.270 nan 0.000 0.469 89 F N -1.079 118.825 119.950 -0.076 0.000 2.622 89 F HA 0.117 4.645 4.527 0.002 0.000 0.288 89 F C 1.166 176.788 175.800 -0.297 0.000 1.120 89 F CA 0.432 58.268 58.000 -0.272 0.000 1.423 89 F CB 0.194 38.889 39.000 -0.509 0.000 1.127 89 F HN -0.215 nan 8.300 nan 0.000 0.588 90 F N -0.027 119.969 119.950 0.077 0.000 2.437 90 F HA 0.188 4.715 4.527 0.001 0.000 0.288 90 F C 1.873 177.661 175.800 -0.020 0.000 1.085 90 F CA 0.682 58.690 58.000 0.014 0.000 1.430 90 F CB -0.619 38.477 39.000 0.161 0.000 1.120 90 F HN -0.171 nan 8.300 nan 0.000 0.556 91 L N -0.347 120.987 121.223 0.186 0.000 2.179 91 L HA 0.033 4.374 4.340 0.001 0.000 0.208 91 L C -1.469 175.411 176.870 0.017 0.000 1.096 91 L CA -0.019 54.880 54.840 0.098 0.000 0.779 91 L CB -1.534 40.586 42.059 0.101 0.000 0.922 91 L HN -0.009 nan 8.230 nan 0.000 0.443 92 P HA 0.048 nan 4.420 nan 0.000 0.272 92 P C -0.577 176.670 177.300 -0.088 0.000 1.230 92 P CA -0.180 62.886 63.100 -0.058 0.000 0.788 92 P CB 0.377 32.030 31.700 -0.078 0.000 0.949 93 R N 1.600 122.041 120.500 -0.099 0.000 2.543 93 R HA 0.285 4.626 4.340 0.001 0.000 0.268 93 R C 0.675 176.855 176.300 -0.200 0.000 1.067 93 R CA -0.580 55.439 56.100 -0.134 0.000 1.142 93 R CB 0.093 30.318 30.300 -0.126 0.000 1.110 93 R HN 0.246 nan 8.270 nan 0.000 0.549 94 N N 1.228 119.768 118.700 -0.267 0.000 2.111 94 N HA -0.236 4.505 4.740 0.001 0.000 0.197 94 N C 1.060 176.186 175.510 -0.640 0.000 1.011 94 N CA 2.074 54.844 53.050 -0.466 0.000 0.880 94 N CB -0.181 37.888 38.487 -0.697 0.000 1.031 94 N HN 0.595 nan 8.380 nan 0.000 0.444 95 E N -0.352 119.514 120.200 -0.556 0.000 2.338 95 E HA -0.016 4.335 4.350 0.001 0.000 0.197 95 E C 1.837 178.343 176.600 -0.156 0.000 1.007 95 E CA 0.232 56.426 56.400 -0.342 0.000 0.849 95 E CB 0.167 29.757 29.700 -0.183 0.000 0.774 95 E HN 0.192 nan 8.360 nan 0.000 0.506 96 V N -0.556 119.264 119.914 -0.156 0.000 2.627 96 V HA 0.081 4.202 4.120 0.001 0.000 0.239 96 V C 0.141 176.171 176.094 -0.107 0.000 1.077 96 V CA 0.341 62.582 62.300 -0.098 0.000 1.103 96 V CB 0.199 31.971 31.823 -0.085 0.000 0.802 96 V HN 0.081 nan 8.190 nan 0.000 0.482 97 L N 1.036 122.167 121.223 -0.152 0.000 2.318 97 L HA 0.546 4.887 4.340 0.001 0.000 0.277 97 L C -0.137 176.614 176.870 -0.198 0.000 1.008 97 L CA 0.303 55.033 54.840 -0.182 0.000 0.846 97 L CB 1.094 42.997 42.059 -0.260 0.000 1.220 97 L HN 0.126 nan 8.230 nan 0.000 0.423 98 S N 5.107 120.712 115.700 -0.157 0.000 2.451 98 S HA 0.680 5.151 4.470 0.001 0.000 0.301 98 S C -1.948 172.526 174.600 -0.210 0.000 1.116 98 S CA -1.242 56.897 58.200 -0.101 0.000 1.093 98 S CB 1.418 64.657 63.200 0.065 0.000 1.017 98 S HN 0.448 nan 8.310 nan 0.000 0.482 99 P HA 0.169 nan 4.420 nan 0.000 0.261 99 P C 1.051 178.076 177.300 -0.458 0.000 1.268 99 P CA -0.164 62.549 63.100 -0.644 0.000 0.833 99 P CB 0.148 31.285 31.700 -0.938 0.000 1.231 100 R N 1.609 122.039 120.500 -0.117 0.000 2.075 100 R HA -0.169 4.172 4.340 0.001 0.000 0.230 100 R C 1.718 177.984 176.300 -0.056 0.000 1.140 100 R CA 2.051 58.136 56.100 -0.026 0.000 0.928 100 R CB -0.330 29.976 30.300 0.010 0.000 0.834 100 R HN -0.010 nan 8.270 nan 0.000 0.429 101 E N 0.084 120.248 120.200 -0.060 0.000 2.106 101 E HA -0.138 4.213 4.350 0.001 0.000 0.192 101 E C 1.921 178.502 176.600 -0.031 0.000 0.984 101 E CA 1.444 57.825 56.400 -0.033 0.000 0.806 101 E CB -0.153 29.531 29.700 -0.026 0.000 0.750 101 E HN 0.441 nan 8.360 nan 0.000 0.458 102 V N -1.643 118.207 119.914 -0.106 0.000 2.548 102 V HA -0.125 3.996 4.120 0.001 0.000 0.249 102 V C 1.071 177.279 176.094 0.190 0.000 1.055 102 V CA 1.167 63.426 62.300 -0.068 0.000 1.065 102 V CB -0.627 31.074 31.823 -0.204 0.000 0.681 102 V HN 0.154 nan 8.190 nan 0.000 0.462 103 Y N 0.559 120.791 120.300 -0.112 0.000 2.625 103 Y HA 0.485 5.036 4.550 0.001 0.000 0.285 103 Y C 2.430 178.232 175.900 -0.163 0.000 1.168 103 Y CA -0.618 57.371 58.100 -0.186 0.000 1.250 103 Y CB -0.564 37.591 38.460 -0.509 0.000 1.130 103 Y HN 0.189 nan 8.280 nan 0.000 0.526 104 S N 0.564 116.329 115.700 0.108 0.000 2.400 104 S HA -0.205 4.266 4.470 0.001 0.000 0.232 104 S C 1.860 176.505 174.600 0.075 0.000 1.025 104 S CA 1.544 59.791 58.200 0.078 0.000 0.993 104 S CB -0.545 62.707 63.200 0.086 0.000 0.808 104 S HN 0.678 nan 8.310 nan 0.000 0.478 105 F N 0.543 120.528 119.950 0.059 0.000 2.408 105 F HA 0.091 4.619 4.527 0.002 0.000 0.300 105 F C 1.641 177.476 175.800 0.058 0.000 1.090 105 F CA 0.672 58.694 58.000 0.037 0.000 1.427 105 F CB -0.632 38.369 39.000 0.001 0.000 1.070 105 F HN 0.112 nan 8.300 nan 0.000 0.549 106 M N 0.266 119.533 119.600 -0.554 0.000 2.618 106 M HA 0.012 4.493 4.480 0.001 0.000 0.240 106 M C 1.917 178.245 176.300 0.046 0.000 1.123 106 M CA 0.268 55.362 55.300 -0.344 0.000 1.060 106 M CB -0.489 32.028 32.600 -0.138 0.000 1.535 106 M HN 0.211 nan 8.290 nan 0.000 0.507 107 V N 1.685 121.644 119.914 0.074 0.000 2.453 107 V HA -0.194 3.927 4.120 0.001 0.000 0.252 107 V C -0.463 175.682 176.094 0.084 0.000 1.068 107 V CA 2.001 64.377 62.300 0.127 0.000 1.070 107 V CB -1.749 30.130 31.823 0.093 0.000 0.664 107 V HN 0.232 nan 8.190 nan 0.000 0.461 108 P HA -0.181 nan 4.420 nan 0.000 0.216 108 P C 1.938 179.197 177.300 -0.069 0.000 1.167 108 P CA 1.746 64.839 63.100 -0.010 0.000 0.914 108 P CB -0.128 31.554 31.700 -0.030 0.000 0.793 109 V N -1.444 118.359 119.914 -0.185 0.000 2.221 109 V HA -0.230 3.891 4.120 0.001 0.000 0.242 109 V C 2.349 178.281 176.094 -0.270 0.000 1.041 109 V CA 1.959 64.052 62.300 -0.345 0.000 0.995 109 V CB -1.481 29.919 31.823 -0.704 0.000 0.635 109 V HN -0.064 nan 8.190 nan 0.000 0.448 110 F N 0.807 120.712 119.950 -0.075 0.000 2.171 110 F HA 0.265 4.793 4.527 0.002 0.000 0.300 110 F C 1.542 177.339 175.800 -0.006 0.000 1.090 110 F CA 1.271 59.248 58.000 -0.039 0.000 1.293 110 F CB -0.955 38.016 39.000 -0.048 0.000 1.013 110 F HN 0.407 nan 8.300 nan 0.000 0.486 111 G N -0.098 108.827 108.800 0.208 0.000 2.710 111 G HA2 -0.186 3.775 3.960 0.001 0.000 0.668 111 G HA3 -0.186 3.775 3.960 0.001 0.000 0.668 111 G C 0.356 175.394 174.900 0.231 0.000 1.320 111 G CA -0.240 44.988 45.100 0.213 0.000 0.860 111 G HN 0.042 nan 8.290 nan 0.000 0.538 112 E N 0.003 120.356 120.200 0.255 0.000 2.107 112 E HA 0.008 4.359 4.350 0.001 0.000 0.191 112 E C 2.137 178.813 176.600 0.127 0.000 0.982 112 E CA 1.507 57.999 56.400 0.153 0.000 0.809 112 E CB -0.192 29.560 29.700 0.087 0.000 0.756 112 E HN 1.025 nan 8.360 nan 0.000 0.459 113 G N 0.802 109.708 108.800 0.178 0.000 4.433 113 G HA2 0.386 4.347 3.960 0.001 0.000 0.304 113 G HA3 0.386 4.347 3.960 0.001 0.000 0.304 113 G C -0.351 174.570 174.900 0.035 0.000 1.254 113 G CA -0.183 44.968 45.100 0.086 0.000 0.999 113 G HN -0.092 nan 8.290 nan 0.000 0.576 114 V N -0.124 119.799 119.914 0.015 0.000 2.914 114 V HA 0.791 4.912 4.120 0.001 0.000 0.314 114 V C 1.146 177.126 176.094 -0.190 0.000 1.084 114 V CA 0.143 62.420 62.300 -0.038 0.000 0.963 114 V CB 1.139 32.973 31.823 0.018 0.000 1.025 114 V HN 0.915 nan 8.190 nan 0.000 0.432 115 A N 2.897 125.562 122.820 -0.259 0.000 5.251 115 A HA -0.327 3.994 4.320 0.001 0.000 0.334 115 A C 1.092 178.375 177.584 -0.502 0.000 1.764 115 A CA 2.395 54.080 52.037 -0.586 0.000 0.708 115 A CB -1.952 16.212 19.000 -1.393 0.000 1.420 115 A HN 1.103 nan 8.150 nan 0.000 0.394 116 Y N -0.114 119.900 120.300 -0.476 0.000 2.421 116 Y HA 0.186 4.737 4.550 0.001 0.000 0.292 116 Y C 2.883 178.681 175.900 -0.171 0.000 1.136 116 Y CA 1.391 59.349 58.100 -0.237 0.000 1.255 116 Y CB -0.766 37.577 38.460 -0.196 0.000 0.991 116 Y HN 0.715 nan 8.280 nan 0.000 0.552 117 A N -0.124 122.655 122.820 -0.069 0.000 2.168 117 A HA 0.348 4.669 4.320 0.001 0.000 0.215 117 A C 1.543 179.088 177.584 -0.065 0.000 1.152 117 A CA 0.645 52.657 52.037 -0.041 0.000 0.716 117 A CB -0.787 18.202 19.000 -0.018 0.000 0.794 117 A HN 0.234 nan 8.150 nan 0.000 0.465 118 A N 0.117 122.885 122.820 -0.088 0.000 2.256 118 A HA 0.660 4.981 4.320 0.001 0.000 0.318 118 A C -2.643 174.849 177.584 -0.153 0.000 1.103 118 A CA -1.881 50.095 52.037 -0.102 0.000 0.860 118 A CB 0.014 18.959 19.000 -0.092 0.000 1.182 118 A HN 0.155 nan 8.150 nan 0.000 0.501 119 P HA 0.090 nan 4.420 nan 0.000 0.269 119 P C -0.102 177.104 177.300 -0.156 0.000 1.209 119 P CA 0.121 63.070 63.100 -0.253 0.000 0.776 119 P CB 0.085 31.688 31.700 -0.161 0.000 0.876 120 Y N 2.590 122.882 120.300 -0.014 0.000 2.114 120 Y HA -0.190 4.361 4.550 0.001 0.000 0.282 120 Y C -0.407 175.479 175.900 -0.022 0.000 1.165 120 Y CA 2.134 60.231 58.100 -0.004 0.000 1.148 120 Y CB -2.965 35.495 38.460 0.000 0.000 0.972 120 Y HN 0.482 nan 8.280 nan 0.000 0.504 121 P HA -0.128 nan 4.420 nan 0.000 0.217 121 P C 1.640 178.938 177.300 -0.003 0.000 1.150 121 P CA 1.616 64.741 63.100 0.042 0.000 0.832 121 P CB 0.107 31.819 31.700 0.020 0.000 0.787 122 R N -0.128 120.348 120.500 -0.040 0.000 2.057 122 R HA -0.015 4.326 4.340 0.001 0.000 0.229 122 R C 2.293 178.570 176.300 -0.038 0.000 1.136 122 R CA 1.568 57.613 56.100 -0.092 0.000 0.952 122 R CB -1.715 28.490 30.300 -0.159 0.000 0.848 122 R HN 0.085 nan 8.270 nan 0.000 0.430 123 M N -0.083 119.501 119.600 -0.028 0.000 2.113 123 M HA -0.314 4.167 4.480 0.001 0.000 0.255 123 M C 2.135 178.427 176.300 -0.014 0.000 1.073 123 M CA 2.357 57.642 55.300 -0.024 0.000 1.091 123 M CB -0.208 32.409 32.600 0.029 0.000 1.309 123 M HN 0.067 nan 8.290 nan 0.000 0.407 124 R N 0.459 120.962 120.500 0.004 0.000 2.073 124 R HA -0.126 4.215 4.340 0.001 0.000 0.234 124 R C 1.847 178.082 176.300 -0.109 0.000 1.134 124 R CA 2.295 58.375 56.100 -0.033 0.000 0.952 124 R CB -0.519 29.765 30.300 -0.027 0.000 0.850 124 R HN 0.578 nan 8.270 nan 0.000 0.433 125 E N -0.061 120.065 120.200 -0.123 0.000 2.097 125 E HA -0.286 4.064 4.350 0.001 0.000 0.196 125 E C 2.132 178.463 176.600 -0.447 0.000 1.000 125 E CA 1.643 57.853 56.400 -0.317 0.000 0.804 125 E CB -0.113 29.564 29.700 -0.039 0.000 0.740 125 E HN 0.529 nan 8.360 nan 0.000 0.454 126 Q N 0.245 120.033 119.800 -0.018 0.000 2.050 126 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 126 Q C 2.363 178.411 176.000 0.080 0.000 0.980 126 Q CA 1.045 56.945 55.803 0.162 0.000 0.840 126 Q CB -0.030 28.806 28.738 0.163 0.000 0.898 126 Q HN 0.290 nan 8.270 nan 0.000 0.424 127 L N 0.481 121.703 121.223 -0.002 0.000 2.156 127 L HA -0.129 4.212 4.340 0.001 0.000 0.208 127 L C 1.909 178.778 176.870 -0.001 0.000 1.095 127 L CA 0.402 55.255 54.840 0.021 0.000 0.770 127 L CB -0.365 41.703 42.059 0.015 0.000 0.914 127 L HN 0.194 nan 8.230 nan 0.000 0.439 128 N N 0.070 118.705 118.700 -0.107 0.000 2.104 128 N HA -0.186 4.555 4.740 0.001 0.000 0.190 128 N C 1.710 177.189 175.510 -0.052 0.000 1.024 128 N CA 1.477 54.443 53.050 -0.140 0.000 0.853 128 N CB -0.311 38.004 38.487 -0.287 0.000 1.008 128 N HN 0.156 nan 8.380 nan 0.000 0.424 129 F N 0.590 120.551 119.950 0.018 0.000 2.186 129 F HA -0.030 4.497 4.527 0.001 0.000 0.299 129 F C 2.132 177.937 175.800 0.009 0.000 1.090 129 F CA 0.248 58.246 58.000 -0.004 0.000 1.307 129 F CB -0.952 38.030 39.000 -0.031 0.000 1.019 129 F HN 0.014 nan 8.300 nan 0.000 0.489 130 L N 0.455 121.804 121.223 0.211 0.000 2.005 130 L HA -0.027 4.314 4.340 0.001 0.000 0.207 130 L C 2.468 179.404 176.870 0.110 0.000 1.072 130 L CA 1.933 56.857 54.840 0.140 0.000 0.744 130 L CB -1.346 40.791 42.059 0.131 0.000 0.895 130 L HN 0.046 nan 8.230 nan 0.000 0.433 131 A N -0.955 121.922 122.820 0.095 0.000 1.927 131 A HA -0.289 4.032 4.320 0.001 0.000 0.220 131 A C 2.317 179.941 177.584 0.067 0.000 1.185 131 A CA 2.089 54.173 52.037 0.077 0.000 0.639 131 A CB -0.800 18.231 19.000 0.052 0.000 0.820 131 A HN 0.583 nan 8.150 nan 0.000 0.451 132 E N -0.774 119.468 120.200 0.069 0.000 2.418 132 E HA -0.125 4.226 4.350 0.001 0.000 0.197 132 E C 1.292 177.923 176.600 0.051 0.000 1.026 132 E CA 0.818 57.249 56.400 0.052 0.000 0.862 132 E CB 0.042 29.782 29.700 0.067 0.000 0.799 132 E HN 0.629 nan 8.360 nan 0.000 0.518 133 E N -0.471 119.774 120.200 0.075 0.000 2.474 133 E HA 0.125 4.476 4.350 0.001 0.000 0.194 133 E C 1.154 177.818 176.600 0.107 0.000 1.041 133 E CA 0.100 56.546 56.400 0.077 0.000 0.874 133 E CB 0.379 30.122 29.700 0.073 0.000 0.914 133 E HN 0.173 nan 8.360 nan 0.000 0.498 134 L N 0.283 121.576 121.223 0.117 0.000 2.906 134 L HA 0.217 4.558 4.340 0.001 0.000 0.255 134 L C 0.504 177.512 176.870 0.230 0.000 1.166 134 L CA -0.048 54.922 54.840 0.218 0.000 0.977 134 L CB 0.329 42.484 42.059 0.159 0.000 1.313 134 L HN 0.065 nan 8.230 nan 0.000 0.549 135 T N -2.190 112.370 114.554 0.010 0.000 2.860 135 T HA 0.128 4.479 4.350 0.001 0.000 0.299 135 T C 1.677 175.980 174.700 -0.661 0.000 1.045 135 T CA -0.478 61.513 62.100 -0.181 0.000 1.071 135 T CB 1.063 69.853 68.868 -0.130 0.000 0.985 135 T HN 0.264 nan 8.240 nan 0.000 0.537 136 I N -0.351 119.757 120.570 -0.771 0.000 2.454 136 I HA 0.011 4.182 4.170 0.001 0.000 0.254 136 I C 2.573 178.256 176.117 -0.723 0.000 1.156 136 I CA 1.280 61.918 61.300 -1.104 0.000 1.433 136 I CB -1.112 36.684 38.000 -0.341 0.000 1.082 136 I HN 0.704 nan 8.210 nan 0.000 0.432 137 A N 1.843 124.393 122.820 -0.449 0.000 2.032 137 A HA -0.177 4.144 4.320 0.001 0.000 0.221 137 A C 2.201 179.587 177.584 -0.330 0.000 1.165 137 A CA 1.624 53.464 52.037 -0.327 0.000 0.645 137 A CB -0.456 18.420 19.000 -0.208 0.000 0.807 137 A HN 0.448 nan 8.150 nan 0.000 0.453 138 K N -0.879 119.294 120.400 -0.377 0.000 2.426 138 K HA 0.163 4.484 4.320 0.001 0.000 0.193 138 K C 0.640 176.974 176.600 -0.444 0.000 1.028 138 K CA 0.288 56.422 56.287 -0.255 0.000 1.047 138 K CB -0.151 32.316 32.500 -0.055 0.000 0.821 138 K HN 0.745 nan 8.250 nan 0.000 0.513 139 F N 1.221 120.781 119.950 -0.649 0.000 2.732 139 F HA -0.023 4.505 4.527 0.002 0.000 0.303 139 F C 2.674 178.266 175.800 -0.347 0.000 1.110 139 F CA -0.278 57.222 58.000 -0.832 0.000 1.355 139 F CB -0.334 38.604 39.000 -0.104 0.000 1.081 139 F HN 0.068 nan 8.300 nan 0.000 0.565 140 Q N 1.442 121.138 119.800 -0.173 0.000 2.096 140 Q HA -0.291 4.050 4.340 0.001 0.000 0.208 140 Q C 1.367 177.393 176.000 0.044 0.000 0.993 140 Q CA 2.433 58.169 55.803 -0.111 0.000 0.862 140 Q CB -0.970 27.679 28.738 -0.148 0.000 0.915 140 Q HN 0.397 nan 8.270 nan 0.000 0.416 141 N N -1.298 117.443 118.700 0.069 0.000 2.230 141 N HA 0.214 4.955 4.740 0.001 0.000 0.202 141 N C 0.718 176.426 175.510 0.330 0.000 1.119 141 N CA -0.059 53.090 53.050 0.165 0.000 0.851 141 N CB 0.285 38.856 38.487 0.141 0.000 0.990 141 N HN 0.434 nan 8.380 nan 0.000 0.497 142 F N 0.237 120.259 119.950 0.121 0.000 2.186 142 F HA -0.006 4.521 4.527 0.001 0.000 0.299 142 F C 2.126 177.942 175.800 0.027 0.000 1.090 142 F CA 0.377 58.419 58.000 0.069 0.000 1.307 142 F CB -0.804 38.220 39.000 0.040 0.000 1.019 142 F HN -0.113 nan 8.300 nan 0.000 0.489 143 V N 1.006 121.065 119.914 0.242 0.000 2.307 143 V HA -0.187 3.934 4.120 0.001 0.000 0.245 143 V C -0.357 175.786 176.094 0.082 0.000 1.045 143 V CA 1.846 64.214 62.300 0.115 0.000 1.024 143 V CB -1.820 30.051 31.823 0.079 0.000 0.651 143 V HN 0.134 nan 8.190 nan 0.000 0.449 144 P HA -0.081 nan 4.420 nan 0.000 0.219 144 P C 1.641 178.989 177.300 0.080 0.000 1.150 144 P CA 1.787 64.931 63.100 0.074 0.000 0.814 144 P CB -0.104 31.631 31.700 0.058 0.000 0.787 145 A N -0.284 122.585 122.820 0.081 0.000 1.877 145 A HA -0.169 4.152 4.320 0.001 0.000 0.216 145 A C 2.222 179.834 177.584 0.046 0.000 1.186 145 A CA 1.429 53.499 52.037 0.055 0.000 0.620 145 A CB -1.610 17.409 19.000 0.032 0.000 0.822 145 A HN 0.097 nan 8.150 nan 0.000 0.443 146 I N -0.867 119.710 120.570 0.011 0.000 2.179 146 I HA -0.313 3.858 4.170 0.001 0.000 0.242 146 I C 2.846 178.954 176.117 -0.015 0.000 1.088 146 I CA 1.939 63.213 61.300 -0.043 0.000 1.357 146 I CB -0.342 37.608 38.000 -0.084 0.000 1.051 146 I HN 0.502 nan 8.210 nan 0.000 0.409 147 Q N 0.003 119.818 119.800 0.026 0.000 2.083 147 Q HA -0.272 4.069 4.340 0.001 0.000 0.198 147 Q C 2.210 178.239 176.000 0.048 0.000 0.969 147 Q CA 1.579 57.400 55.803 0.030 0.000 0.838 147 Q CB -0.078 28.687 28.738 0.046 0.000 0.900 147 Q HN 0.491 nan 8.270 nan 0.000 0.436 148 H N 0.529 119.591 119.070 -0.013 0.000 2.267 148 H HA -0.188 4.369 4.556 0.002 0.000 0.291 148 H C 1.824 177.138 175.328 -0.023 0.000 1.094 148 H CA 2.329 58.370 56.048 -0.012 0.000 1.227 148 H CB 0.168 29.925 29.762 -0.008 0.000 1.351 148 H HN 0.246 nan 8.280 nan 0.000 0.483 149 E N -0.236 119.941 120.200 -0.039 0.000 2.072 149 E HA -0.099 4.252 4.350 0.001 0.000 0.191 149 E C 2.673 179.204 176.600 -0.116 0.000 0.985 149 E CA 1.038 57.372 56.400 -0.110 0.000 0.801 149 E CB -0.415 29.251 29.700 -0.057 0.000 0.750 149 E HN 0.375 nan 8.360 nan 0.000 0.452 150 V N 1.823 121.672 119.914 -0.108 0.000 2.332 150 V HA -0.267 3.854 4.120 0.001 0.000 0.248 150 V C 2.443 178.472 176.094 -0.108 0.000 1.055 150 V CA 1.732 63.953 62.300 -0.132 0.000 1.038 150 V CB -0.428 31.326 31.823 -0.116 0.000 0.651 150 V HN 0.201 nan 8.190 nan 0.000 0.450 151 R N -0.150 120.297 120.500 -0.089 0.000 2.066 151 R HA -0.133 4.207 4.340 0.001 0.000 0.232 151 R C 2.428 178.658 176.300 -0.117 0.000 1.131 151 R CA 1.332 57.388 56.100 -0.074 0.000 0.955 151 R CB -0.404 29.867 30.300 -0.048 0.000 0.851 151 R HN 0.450 nan 8.270 nan 0.000 0.432 152 K N 0.252 120.545 120.400 -0.177 0.000 2.034 152 K HA -0.219 4.102 4.320 0.001 0.000 0.214 152 K C 1.957 178.466 176.600 -0.151 0.000 1.051 152 K CA 1.921 58.095 56.287 -0.188 0.000 0.931 152 K CB -0.302 32.044 32.500 -0.256 0.000 0.715 152 K HN 0.032 nan 8.250 nan 0.000 0.446 153 F N 1.033 120.822 119.950 -0.270 0.000 2.171 153 F HA -0.191 4.337 4.527 0.002 0.000 0.300 153 F C 2.011 177.551 175.800 -0.432 0.000 1.090 153 F CA 1.532 59.337 58.000 -0.325 0.000 1.293 153 F CB -0.034 38.739 39.000 -0.378 0.000 1.013 153 F HN 0.029 nan 8.300 nan 0.000 0.486 154 M N -0.216 119.192 119.600 -0.319 0.000 2.175 154 M HA -0.129 4.352 4.480 0.001 0.000 0.264 154 M C 2.465 178.650 176.300 -0.193 0.000 1.063 154 M CA 1.498 56.563 55.300 -0.392 0.000 1.119 154 M CB -0.700 31.808 32.600 -0.154 0.000 1.377 154 M HN 0.275 nan 8.290 nan 0.000 0.415 155 A N 0.443 123.177 122.820 -0.143 0.000 1.933 155 A HA -0.037 4.283 4.320 0.001 0.000 0.218 155 A C 2.346 179.852 177.584 -0.130 0.000 1.175 155 A CA 1.920 53.902 52.037 -0.092 0.000 0.628 155 A CB -0.789 18.163 19.000 -0.079 0.000 0.814 155 A HN 0.493 nan 8.150 nan 0.000 0.444 156 A N -0.509 122.171 122.820 -0.233 0.000 1.930 156 A HA -0.058 4.262 4.320 0.001 0.000 0.215 156 A C 1.831 179.263 177.584 -0.253 0.000 1.176 156 A CA 1.516 53.410 52.037 -0.240 0.000 0.632 156 A CB -0.220 18.606 19.000 -0.290 0.000 0.819 156 A HN 0.556 nan 8.150 nan 0.000 0.445 157 N N -2.553 115.908 118.700 -0.398 0.000 2.382 157 N HA 0.019 4.760 4.740 0.001 0.000 0.200 157 N C -0.360 175.197 175.510 0.078 0.000 1.122 157 N CA 0.238 53.122 53.050 -0.277 0.000 0.870 157 N CB 0.252 38.320 38.487 -0.699 0.000 1.176 157 N HN 0.578 nan 8.380 nan 0.000 0.474 158 W N 3.133 124.201 121.300 -0.386 0.000 2.164 158 W HA 0.318 4.979 4.660 0.002 0.000 0.370 158 W C 0.552 176.907 176.519 -0.272 0.000 0.747 158 W CA -1.221 55.691 57.345 -0.723 0.000 2.688 158 W CB -0.562 28.300 29.460 -0.997 0.000 1.826 158 W HN 0.083 nan 8.180 nan 0.000 0.721 159 D N -0.640 119.845 120.400 0.142 0.000 2.350 159 D HA -0.007 4.634 4.640 0.001 0.000 0.213 159 D C 0.453 176.864 176.300 0.186 0.000 1.031 159 D CA 0.374 54.457 54.000 0.137 0.000 0.861 159 D CB 0.629 41.468 40.800 0.065 0.000 0.926 159 D HN 0.129 nan 8.370 nan 0.000 0.520 160 K N 0.213 120.804 120.400 0.320 0.000 2.419 160 K HA 0.147 4.467 4.320 0.001 0.000 0.246 160 K C 0.446 177.202 176.600 0.261 0.000 1.037 160 K CA -0.805 55.630 56.287 0.246 0.000 0.982 160 K CB 0.866 33.483 32.500 0.195 0.000 1.283 160 K HN -0.321 nan 8.250 nan 0.000 0.500 161 D N 0.800 121.277 120.400 0.128 0.000 2.144 161 D HA -0.078 4.563 4.640 0.001 0.000 0.199 161 D C -0.165 176.175 176.300 0.068 0.000 0.984 161 D CA 1.541 55.589 54.000 0.080 0.000 0.834 161 D CB 0.360 41.170 40.800 0.017 0.000 0.955 161 D HN 0.335 nan 8.370 nan 0.000 0.465 162 E N -2.055 118.119 120.200 -0.044 0.000 2.401 162 E HA 0.544 4.895 4.350 0.001 0.000 0.280 162 E C -0.996 175.222 176.600 -0.638 0.000 1.039 162 E CA -0.620 55.599 56.400 -0.302 0.000 0.814 162 E CB 2.212 31.805 29.700 -0.180 0.000 1.275 162 E HN 0.103 nan 8.360 nan 0.000 0.448 163 G N 1.388 109.557 108.800 -1.052 0.000 2.387 163 G HA2 0.272 4.233 3.960 0.001 0.000 0.294 163 G HA3 0.272 4.233 3.960 0.001 0.000 0.294 163 G C -1.811 172.691 174.900 -0.663 0.000 1.509 163 G CA -0.715 43.866 45.100 -0.865 0.000 0.806 163 G HN 0.374 nan 8.290 nan 0.000 0.546 164 E N -0.480 119.560 120.200 -0.267 0.000 2.187 164 E HA 0.663 5.014 4.350 0.001 0.000 0.268 164 E C -0.750 175.837 176.600 -0.021 0.000 0.896 164 E CA -0.811 55.505 56.400 -0.139 0.000 0.766 164 E CB 1.564 31.204 29.700 -0.100 0.000 1.142 164 E HN 0.695 nan 8.360 nan 0.000 0.408 165 I N 0.640 121.208 120.570 -0.003 0.000 3.006 165 I HA 0.435 4.606 4.170 0.001 0.000 0.306 165 I C -1.014 175.118 176.117 0.025 0.000 1.250 165 I CA -0.996 60.346 61.300 0.070 0.000 0.996 165 I CB 1.851 39.957 38.000 0.177 0.000 1.261 165 I HN 0.342 nan 8.210 nan 0.000 0.442 166 N N 2.555 121.284 118.700 0.048 0.000 2.437 166 N HA 0.284 5.025 4.740 0.001 0.000 0.243 166 N C 0.678 176.184 175.510 -0.006 0.000 1.041 166 N CA -0.548 52.501 53.050 -0.003 0.000 0.940 166 N CB 0.749 39.232 38.487 -0.006 0.000 1.133 166 N HN 0.805 nan 8.380 nan 0.000 0.506 167 L N 4.666 125.847 121.223 -0.070 0.000 2.042 167 L HA -0.090 4.251 4.340 0.001 0.000 0.210 167 L C 1.701 178.503 176.870 -0.114 0.000 1.076 167 L CA 1.547 56.327 54.840 -0.100 0.000 0.749 167 L CB -0.764 41.166 42.059 -0.215 0.000 0.893 167 L HN 0.722 nan 8.230 nan 0.000 0.432 168 L N -0.486 120.645 121.223 -0.153 0.000 2.012 168 L HA -0.226 4.115 4.340 0.001 0.000 0.210 168 L C 2.378 179.176 176.870 -0.119 0.000 1.073 168 L CA 1.842 56.579 54.840 -0.173 0.000 0.748 168 L CB -0.629 41.307 42.059 -0.204 0.000 0.891 168 L HN 0.377 nan 8.230 nan 0.000 0.431 169 E N -0.659 119.497 120.200 -0.072 0.000 2.077 169 E HA -0.221 4.130 4.350 0.001 0.000 0.193 169 E C 1.762 178.332 176.600 -0.049 0.000 0.989 169 E CA 1.400 57.776 56.400 -0.039 0.000 0.800 169 E CB -0.077 29.625 29.700 0.003 0.000 0.746 169 E HN 0.547 nan 8.360 nan 0.000 0.452 170 D N -0.291 120.102 120.400 -0.011 0.000 2.149 170 D HA -0.091 4.550 4.640 0.001 0.000 0.201 170 D C 1.886 177.979 176.300 -0.344 0.000 0.972 170 D CA 0.609 54.571 54.000 -0.062 0.000 0.835 170 D CB -0.313 40.660 40.800 0.289 0.000 0.966 170 D HN 0.203 nan 8.370 nan 0.000 0.476 171 C N 0.192 119.357 119.300 -0.225 0.000 2.429 171 C HA -0.079 4.382 4.460 0.001 0.000 0.277 171 C C 2.927 177.751 174.990 -0.276 0.000 1.262 171 C CA 0.676 59.533 59.018 -0.268 0.000 1.733 171 C CB -0.897 26.728 27.740 -0.191 0.000 2.010 171 C HN 0.279 nan 8.230 nan 0.000 0.483 172 S N 0.452 116.024 115.700 -0.214 0.000 2.374 172 S HA -0.197 4.274 4.470 0.001 0.000 0.227 172 S C 1.901 176.370 174.600 -0.217 0.000 1.037 172 S CA 2.174 60.259 58.200 -0.192 0.000 1.024 172 S CB -0.533 62.589 63.200 -0.129 0.000 0.861 172 S HN 0.731 nan 8.310 nan 0.000 0.456 173 T N 2.173 116.576 114.554 -0.253 0.000 2.777 173 T HA 0.031 4.382 4.350 0.001 0.000 0.266 173 T C 1.825 176.300 174.700 -0.376 0.000 1.040 173 T CA 1.074 63.020 62.100 -0.257 0.000 1.141 173 T CB -0.252 68.511 68.868 -0.174 0.000 0.868 173 T HN 0.327 nan 8.240 nan 0.000 0.444 174 M N 0.375 119.625 119.600 -0.583 0.000 2.086 174 M HA -0.052 4.429 4.480 0.001 0.000 0.261 174 M C 2.191 178.299 176.300 -0.321 0.000 1.067 174 M CA 1.394 56.373 55.300 -0.535 0.000 1.116 174 M CB -0.444 31.779 32.600 -0.628 0.000 1.348 174 M HN 0.163 nan 8.290 nan 0.000 0.407 175 I N 0.165 120.566 120.570 -0.282 0.000 2.163 175 I HA -0.275 3.896 4.170 0.001 0.000 0.243 175 I C 2.497 178.497 176.117 -0.194 0.000 1.085 175 I CA 1.557 62.721 61.300 -0.227 0.000 1.347 175 I CB -1.031 36.845 38.000 -0.207 0.000 1.044 175 I HN 0.277 nan 8.210 nan 0.000 0.408 176 I N 1.620 122.085 120.570 -0.175 0.000 2.226 176 I HA -0.268 3.903 4.170 0.001 0.000 0.245 176 I C 2.080 178.113 176.117 -0.139 0.000 1.100 176 I CA 1.559 62.784 61.300 -0.126 0.000 1.374 176 I CB -0.641 37.322 38.000 -0.061 0.000 1.057 176 I HN 0.191 nan 8.210 nan 0.000 0.413 177 N N 0.069 118.684 118.700 -0.140 0.000 2.120 177 N HA -0.158 4.583 4.740 0.001 0.000 0.188 177 N C 1.921 177.340 175.510 -0.152 0.000 1.024 177 N CA 2.129 55.105 53.050 -0.122 0.000 0.852 177 N CB -0.824 37.599 38.487 -0.106 0.000 1.003 177 N HN 0.599 nan 8.380 nan 0.000 0.424 178 T N -1.809 112.638 114.554 -0.178 0.000 2.812 178 T HA 0.131 4.482 4.350 0.001 0.000 0.264 178 T C 2.026 176.601 174.700 -0.208 0.000 1.042 178 T CA 1.084 63.074 62.100 -0.183 0.000 1.140 178 T CB -0.526 68.221 68.868 -0.203 0.000 0.870 178 T HN 0.143 nan 8.240 nan 0.000 0.445 179 A N 0.846 123.548 122.820 -0.197 0.000 1.908 179 A HA -0.065 4.256 4.320 0.001 0.000 0.218 179 A C 2.752 180.071 177.584 -0.442 0.000 1.181 179 A CA 1.621 53.553 52.037 -0.176 0.000 0.627 179 A CB -1.517 17.410 19.000 -0.122 0.000 0.818 179 A HN 0.706 nan 8.150 nan 0.000 0.445 180 C N -1.564 117.423 119.300 -0.521 0.000 2.425 180 C HA -0.074 4.387 4.460 0.001 0.000 0.277 180 C C 2.842 177.554 174.990 -0.465 0.000 1.280 180 C CA 1.362 59.905 59.018 -0.791 0.000 1.744 180 C CB -1.097 26.332 27.740 -0.518 0.000 1.989 180 C HN 0.750 nan 8.230 nan 0.000 0.491 181 Q N -0.075 119.560 119.800 -0.275 0.000 2.124 181 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 181 Q C 2.153 178.026 176.000 -0.213 0.000 0.977 181 Q CA 2.017 57.722 55.803 -0.162 0.000 0.850 181 Q CB -0.443 28.238 28.738 -0.095 0.000 0.901 181 Q HN 0.711 nan 8.270 nan 0.000 0.429 182 C N -0.886 118.189 119.300 -0.376 0.000 2.457 182 C HA 0.049 4.510 4.460 0.001 0.000 0.278 182 C C 2.276 176.948 174.990 -0.530 0.000 1.309 182 C CA 0.424 59.032 59.018 -0.684 0.000 1.735 182 C CB -0.761 26.212 27.740 -1.279 0.000 1.992 182 C HN 0.498 nan 8.230 nan 0.000 0.493 183 L N -1.640 119.321 121.223 -0.436 0.000 2.463 183 L HA 0.245 4.586 4.340 0.001 0.000 0.219 183 L C 0.029 176.954 176.870 0.092 0.000 1.088 183 L CA 0.400 55.093 54.840 -0.246 0.000 0.849 183 L CB -0.156 41.671 42.059 -0.386 0.000 1.012 183 L HN 0.173 nan 8.230 nan 0.000 0.468 184 F N 0.749 120.593 119.950 -0.176 0.000 2.421 184 F HA 0.519 5.047 4.527 0.001 0.000 0.337 184 F C 1.110 176.857 175.800 -0.087 0.000 1.105 184 F CA -1.760 56.156 58.000 -0.141 0.000 1.049 184 F CB 0.654 39.548 39.000 -0.177 0.000 1.139 184 F HN -0.200 nan 8.300 nan 0.000 0.479 185 G N 1.214 110.080 108.800 0.109 0.000 2.684 185 G HA2 0.048 4.009 3.960 0.001 0.000 0.255 185 G HA3 0.048 4.009 3.960 0.001 0.000 0.255 185 G C 0.839 175.764 174.900 0.043 0.000 1.219 185 G CA -0.253 44.878 45.100 0.051 0.000 0.901 185 G HN 0.766 nan 8.290 nan 0.000 0.548 186 E N -0.343 119.872 120.200 0.025 0.000 2.072 186 E HA -0.178 4.173 4.350 0.001 0.000 0.191 186 E C 2.093 178.700 176.600 0.011 0.000 0.985 186 E CA 1.489 57.902 56.400 0.020 0.000 0.801 186 E CB 0.038 29.745 29.700 0.011 0.000 0.750 186 E HN 0.646 nan 8.360 nan 0.000 0.452 187 D N 0.943 121.342 120.400 -0.002 0.000 2.144 187 D HA -0.211 4.430 4.640 0.001 0.000 0.199 187 D C 2.135 178.419 176.300 -0.027 0.000 0.984 187 D CA 0.623 54.615 54.000 -0.013 0.000 0.834 187 D CB -0.589 40.199 40.800 -0.020 0.000 0.955 187 D HN 0.240 nan 8.370 nan 0.000 0.465 188 L N 0.663 121.857 121.223 -0.048 0.000 2.027 188 L HA 0.006 4.347 4.340 0.001 0.000 0.206 188 L C 2.349 179.189 176.870 -0.050 0.000 1.074 188 L CA 1.521 56.300 54.840 -0.102 0.000 0.745 188 L CB -0.607 41.320 42.059 -0.220 0.000 0.898 188 L HN -0.166 nan 8.230 nan 0.000 0.433 189 R N -0.547 119.964 120.500 0.019 0.000 2.237 189 R HA -0.079 4.262 4.340 0.001 0.000 0.219 189 R C 1.991 178.318 176.300 0.045 0.000 1.080 189 R CA 0.874 57.016 56.100 0.070 0.000 0.995 189 R CB -0.128 30.229 30.300 0.096 0.000 0.875 189 R HN 0.363 nan 8.270 nan 0.000 0.462 190 K N -0.131 120.283 120.400 0.023 0.000 2.439 190 K HA 0.003 4.324 4.320 0.001 0.000 0.197 190 K C 1.559 178.169 176.600 0.017 0.000 1.041 190 K CA 0.680 56.978 56.287 0.019 0.000 0.970 190 K CB 0.333 32.839 32.500 0.010 0.000 0.773 190 K HN 0.041 nan 8.250 nan 0.000 0.479 191 R N -0.366 120.141 120.500 0.011 0.000 2.316 191 R HA 0.169 4.510 4.340 0.001 0.000 0.201 191 R C -0.004 176.314 176.300 0.030 0.000 0.888 191 R CA 0.137 56.244 56.100 0.011 0.000 1.041 191 R CB 0.373 30.668 30.300 -0.008 0.000 1.115 191 R HN 0.008 nan 8.270 nan 0.000 0.559 192 L N 2.753 124.003 121.223 0.046 0.000 2.534 192 L HA 0.240 4.581 4.340 0.001 0.000 0.259 192 L C -1.132 175.822 176.870 0.139 0.000 1.108 192 L CA -0.797 54.100 54.840 0.095 0.000 0.905 192 L CB 0.876 42.982 42.059 0.078 0.000 1.138 192 L HN -0.004 nan 8.230 nan 0.000 0.475 193 D N 2.346 122.819 120.400 0.122 0.000 2.414 193 D HA 0.308 4.949 4.640 0.001 0.000 0.251 193 D C 1.264 177.663 176.300 0.164 0.000 1.252 193 D CA 0.205 54.279 54.000 0.122 0.000 0.999 193 D CB 0.916 41.764 40.800 0.080 0.000 1.093 193 D HN 0.376 nan 8.370 nan 0.000 0.515 194 A N 0.262 123.154 122.820 0.120 0.000 1.933 194 A HA -0.212 4.109 4.320 0.001 0.000 0.218 194 A C 2.165 179.834 177.584 0.142 0.000 1.175 194 A CA 1.643 53.752 52.037 0.121 0.000 0.628 194 A CB -0.632 18.388 19.000 0.033 0.000 0.814 194 A HN 0.586 nan 8.150 nan 0.000 0.444 195 R N -0.948 119.612 120.500 0.101 0.000 2.073 195 R HA -0.113 4.228 4.340 0.001 0.000 0.234 195 R C 2.388 178.741 176.300 0.088 0.000 1.134 195 R CA 1.633 57.781 56.100 0.080 0.000 0.952 195 R CB -0.329 30.007 30.300 0.059 0.000 0.850 195 R HN 0.461 nan 8.270 nan 0.000 0.433 196 R N 0.532 121.097 120.500 0.108 0.000 2.075 196 R HA -0.084 4.257 4.340 0.001 0.000 0.232 196 R C 1.829 178.201 176.300 0.119 0.000 1.126 196 R CA 1.390 57.549 56.100 0.097 0.000 0.963 196 R CB -0.867 29.491 30.300 0.098 0.000 0.858 196 R HN 0.210 nan 8.270 nan 0.000 0.435 197 F N 0.785 120.779 119.950 0.073 0.000 2.161 197 F HA -0.091 4.437 4.527 0.001 0.000 0.300 197 F C 1.985 177.826 175.800 0.068 0.000 1.089 197 F CA 1.649 59.709 58.000 0.099 0.000 1.282 197 F CB -0.615 38.497 39.000 0.186 0.000 1.010 197 F HN 0.169 nan 8.300 nan 0.000 0.485 198 A N -0.330 122.539 122.820 0.082 0.000 1.902 198 A HA -0.229 4.092 4.320 0.001 0.000 0.217 198 A C 2.169 179.713 177.584 -0.066 0.000 1.181 198 A CA 1.712 53.745 52.037 -0.005 0.000 0.623 198 A CB -0.887 18.137 19.000 0.040 0.000 0.818 198 A HN 0.547 nan 8.150 nan 0.000 0.443 199 Q N -0.506 119.273 119.800 -0.036 0.000 2.077 199 Q HA -0.172 4.169 4.340 0.001 0.000 0.206 199 Q C 2.129 178.084 176.000 -0.075 0.000 0.989 199 Q CA 1.749 57.532 55.803 -0.034 0.000 0.853 199 Q CB -0.334 28.398 28.738 -0.010 0.000 0.907 199 Q HN 0.709 nan 8.270 nan 0.000 0.418 200 L N -0.081 121.060 121.223 -0.135 0.000 2.056 200 L HA -0.205 4.136 4.340 0.001 0.000 0.207 200 L C 2.406 179.148 176.870 -0.214 0.000 1.078 200 L CA 0.493 55.231 54.840 -0.170 0.000 0.749 200 L CB -0.461 41.475 42.059 -0.205 0.000 0.901 200 L HN 0.278 nan 8.230 nan 0.000 0.433 201 L N 0.363 121.381 121.223 -0.343 0.000 2.079 201 L HA -0.177 4.163 4.340 0.001 0.000 0.210 201 L C 2.619 179.453 176.870 -0.059 0.000 1.081 201 L CA 2.018 56.710 54.840 -0.246 0.000 0.752 201 L CB -0.686 41.202 42.059 -0.286 0.000 0.896 201 L HN 0.166 nan 8.230 nan 0.000 0.433 202 A N -1.046 121.752 122.820 -0.038 0.000 1.930 202 A HA -0.199 4.122 4.320 0.001 0.000 0.217 202 A C 2.349 179.940 177.584 0.012 0.000 1.175 202 A CA 1.734 53.785 52.037 0.023 0.000 0.627 202 A CB -0.425 18.587 19.000 0.020 0.000 0.815 202 A HN 0.476 nan 8.150 nan 0.000 0.443 203 K N -0.999 119.391 120.400 -0.017 0.000 2.062 203 K HA -0.008 4.313 4.320 0.001 0.000 0.205 203 K C 2.098 178.690 176.600 -0.014 0.000 1.051 203 K CA 1.482 57.762 56.287 -0.011 0.000 0.941 203 K CB -0.246 32.244 32.500 -0.017 0.000 0.719 203 K HN 0.497 nan 8.250 nan 0.000 0.440 204 M N 0.982 120.560 119.600 -0.037 0.000 2.077 204 M HA -0.182 4.299 4.480 0.001 0.000 0.261 204 M C 2.194 178.466 176.300 -0.046 0.000 1.070 204 M CA 1.677 56.948 55.300 -0.048 0.000 1.125 204 M CB -0.315 32.235 32.600 -0.083 0.000 1.339 204 M HN 0.172 nan 8.290 nan 0.000 0.409 205 E N -0.542 119.644 120.200 -0.024 0.000 2.418 205 E HA -0.083 4.268 4.350 0.001 0.000 0.197 205 E C 1.433 178.044 176.600 0.020 0.000 1.026 205 E CA 1.142 57.532 56.400 -0.017 0.000 0.862 205 E CB -0.228 29.547 29.700 0.125 0.000 0.799 205 E HN 0.317 nan 8.360 nan 0.000 0.518 206 S N 0.968 116.683 115.700 0.024 0.000 2.481 206 S HA -0.069 4.402 4.470 0.001 0.000 0.231 206 S C 1.807 176.422 174.600 0.025 0.000 0.996 206 S CA 0.941 59.157 58.200 0.028 0.000 0.942 206 S CB 0.036 63.250 63.200 0.024 0.000 0.768 206 S HN 0.497 nan 8.310 nan 0.000 0.520 207 S N 0.705 116.416 115.700 0.019 0.000 2.575 207 S HA 0.270 4.741 4.470 0.001 0.000 0.215 207 S C 0.350 174.977 174.600 0.046 0.000 0.966 207 S CA -0.330 57.886 58.200 0.028 0.000 0.911 207 S CB -0.436 62.780 63.200 0.027 0.000 0.780 207 S HN 0.311 nan 8.310 nan 0.000 0.514 208 L N 2.169 123.424 121.223 0.053 0.000 2.410 208 L HA 0.377 4.718 4.340 0.001 0.000 0.273 208 L C -0.480 176.459 176.870 0.114 0.000 1.144 208 L CA -0.180 54.736 54.840 0.127 0.000 0.863 208 L CB 0.677 42.818 42.059 0.137 0.000 1.140 208 L HN 0.311 nan 8.230 nan 0.000 0.463 209 I N 5.318 125.968 120.570 0.134 0.000 2.460 209 I HA 0.223 4.394 4.170 0.001 0.000 0.277 209 I C -1.717 174.264 176.117 -0.228 0.000 1.057 209 I CA -1.531 59.767 61.300 -0.004 0.000 1.179 209 I CB 1.136 39.143 38.000 0.012 0.000 1.329 209 I HN 0.396 nan 8.210 nan 0.000 0.478 210 P HA -0.149 nan 4.420 nan 0.000 0.218 210 P C 1.629 178.567 177.300 -0.603 0.000 1.149 210 P CA 0.893 63.418 63.100 -0.959 0.000 0.817 210 P CB 0.330 31.718 31.700 -0.521 0.000 0.785 211 A N 0.454 123.115 122.820 -0.264 0.000 2.076 211 A HA -0.115 4.206 4.320 0.001 0.000 0.220 211 A C 2.242 179.751 177.584 -0.126 0.000 1.160 211 A CA 1.725 53.697 52.037 -0.108 0.000 0.653 211 A CB -1.560 17.433 19.000 -0.012 0.000 0.801 211 A HN 0.206 nan 8.150 nan 0.000 0.455 212 A N -0.400 122.327 122.820 -0.155 0.000 2.186 212 A HA 0.023 4.344 4.320 0.001 0.000 0.219 212 A C 2.036 179.547 177.584 -0.122 0.000 1.159 212 A CA 1.534 53.526 52.037 -0.075 0.000 0.680 212 A CB -0.803 18.209 19.000 0.020 0.000 0.787 212 A HN 0.410 nan 8.150 nan 0.000 0.467 213 V N -1.663 118.051 119.914 -0.333 0.000 2.392 213 V HA -0.252 3.869 4.120 0.001 0.000 0.249 213 V C 2.019 177.834 176.094 -0.464 0.000 1.059 213 V CA 2.210 64.220 62.300 -0.483 0.000 1.051 213 V CB -0.869 30.395 31.823 -0.932 0.000 0.658 213 V HN 0.636 nan 8.190 nan 0.000 0.455 214 F N -1.730 118.195 119.950 -0.042 0.000 2.694 214 F HA 0.403 4.931 4.527 0.002 0.000 0.292 214 F C 0.978 176.758 175.800 -0.033 0.000 1.121 214 F CA -0.067 57.906 58.000 -0.045 0.000 1.352 214 F CB 0.208 39.165 39.000 -0.072 0.000 1.107 214 F HN -0.058 nan 8.300 nan 0.000 0.597 215 L N 2.270 123.561 121.223 0.113 0.000 2.495 215 L HA 0.315 4.656 4.340 0.001 0.000 0.248 215 L C -1.732 175.157 176.870 0.031 0.000 1.229 215 L CA -1.442 53.436 54.840 0.062 0.000 0.942 215 L CB 1.257 43.348 42.059 0.053 0.000 1.242 215 L HN -0.208 nan 8.230 nan 0.000 0.484 216 P HA -0.137 nan 4.420 nan 0.000 0.223 216 P C 1.594 178.909 177.300 0.026 0.000 1.144 216 P CA 1.168 64.284 63.100 0.027 0.000 0.783 216 P CB 0.096 31.812 31.700 0.027 0.000 0.771 217 I N -2.068 118.516 120.570 0.023 0.000 2.399 217 I HA -0.232 3.939 4.170 0.001 0.000 0.254 217 I C 1.720 177.848 176.117 0.019 0.000 1.146 217 I CA 1.112 62.423 61.300 0.018 0.000 1.412 217 I CB -0.987 37.022 38.000 0.014 0.000 1.076 217 I HN -0.076 nan 8.210 nan 0.000 0.432 218 L N 0.556 121.791 121.223 0.020 0.000 2.217 218 L HA -0.072 4.269 4.340 0.001 0.000 0.211 218 L C 2.386 179.272 176.870 0.028 0.000 1.107 218 L CA 1.484 56.335 54.840 0.020 0.000 0.783 218 L CB -0.980 41.087 42.059 0.014 0.000 0.919 218 L HN 0.274 nan 8.230 nan 0.000 0.442 219 L N -0.626 120.619 121.223 0.037 0.000 2.131 219 L HA -0.205 4.136 4.340 0.001 0.000 0.210 219 L C 1.903 178.793 176.870 0.033 0.000 1.092 219 L CA 1.151 56.019 54.840 0.046 0.000 0.759 219 L CB -0.403 41.690 42.059 0.057 0.000 0.903 219 L HN 0.271 nan 8.230 nan 0.000 0.435 220 K N -0.213 120.202 120.400 0.025 0.000 2.458 220 K HA 0.129 4.450 4.320 0.001 0.000 0.194 220 K C -0.161 176.447 176.600 0.012 0.000 1.024 220 K CA -0.195 56.102 56.287 0.017 0.000 1.108 220 K CB 0.275 32.783 32.500 0.014 0.000 0.846 220 K HN 0.062 nan 8.250 nan 0.000 0.518 221 L N 2.112 123.343 121.223 0.013 0.000 2.331 221 L HA 0.172 4.513 4.340 0.001 0.000 0.278 221 L C -2.118 174.756 176.870 0.007 0.000 1.106 221 L CA -2.248 52.597 54.840 0.009 0.000 0.824 221 L CB 0.556 42.620 42.059 0.009 0.000 1.142 221 L HN -0.138 nan 8.230 nan 0.000 0.443 222 P HA 0.165 nan 4.420 nan 0.000 0.244 222 P C -0.795 176.504 177.300 -0.001 0.000 1.723 222 P CA 0.092 63.190 63.100 -0.003 0.000 1.110 222 P CB -0.212 31.484 31.700 -0.007 0.000 1.972 223 L N 3.701 124.926 121.223 0.003 0.000 2.350 223 L HA 0.298 4.639 4.340 0.001 0.000 0.275 223 L C -0.671 176.201 176.870 0.004 0.000 1.099 223 L CA -1.821 53.022 54.840 0.005 0.000 0.808 223 L CB 0.783 42.848 42.059 0.010 0.000 1.149 223 L HN 0.099 nan 8.230 nan 0.000 0.442 224 P HA -0.213 nan 4.420 nan 0.000 0.218 224 P C 1.111 178.416 177.300 0.008 0.000 1.149 224 P CA 1.143 64.244 63.100 0.003 0.000 0.817 224 P CB 0.084 31.785 31.700 0.003 0.000 0.785 225 Q N 0.008 119.815 119.800 0.012 0.000 2.181 225 Q HA -0.101 4.240 4.340 0.001 0.000 0.205 225 Q C 1.951 177.965 176.000 0.023 0.000 0.980 225 Q CA 1.681 57.494 55.803 0.017 0.000 0.862 225 Q CB -1.185 27.564 28.738 0.018 0.000 0.905 225 Q HN 0.124 nan 8.270 nan 0.000 0.429 226 S N 1.453 117.168 115.700 0.024 0.000 2.402 226 S HA -0.050 4.421 4.470 0.001 0.000 0.229 226 S C 2.137 176.763 174.600 0.042 0.000 1.021 226 S CA 0.963 59.183 58.200 0.034 0.000 0.974 226 S CB -0.286 62.931 63.200 0.028 0.000 0.800 226 S HN 0.607 nan 8.310 nan 0.000 0.484 227 A N 1.841 124.673 122.820 0.020 0.000 1.933 227 A HA -0.080 4.241 4.320 0.001 0.000 0.218 227 A C 2.171 179.786 177.584 0.052 0.000 1.175 227 A CA 1.200 53.244 52.037 0.013 0.000 0.628 227 A CB -0.362 18.633 19.000 -0.009 0.000 0.814 227 A HN 0.402 nan 8.150 nan 0.000 0.444 228 R N -1.423 119.101 120.500 0.040 0.000 2.073 228 R HA -0.087 4.254 4.340 0.001 0.000 0.229 228 R C 2.351 178.678 176.300 0.044 0.000 1.120 228 R CA 1.218 57.340 56.100 0.037 0.000 0.967 228 R CB -0.834 29.479 30.300 0.022 0.000 0.862 228 R HN 0.653 nan 8.270 nan 0.000 0.436 229 C N 0.286 119.614 119.300 0.046 0.000 2.413 229 C HA -0.172 4.289 4.460 0.001 0.000 0.276 229 C C 2.492 177.516 174.990 0.057 0.000 1.248 229 C CA 1.362 60.401 59.018 0.035 0.000 1.742 229 C CB -0.893 26.867 27.740 0.032 0.000 2.017 229 C HN 0.542 nan 8.230 nan 0.000 0.481 230 H N 0.267 119.334 119.070 -0.006 0.000 2.319 230 H HA -0.136 4.421 4.556 0.001 0.000 0.299 230 H C 2.156 177.482 175.328 -0.004 0.000 1.092 230 H CA 2.529 58.575 56.048 -0.003 0.000 1.302 230 H CB -0.138 29.622 29.762 -0.002 0.000 1.373 230 H HN 0.620 nan 8.280 nan 0.000 0.497 231 E N -0.355 119.926 120.200 0.135 0.000 2.077 231 E HA -0.155 4.196 4.350 0.001 0.000 0.193 231 E C 2.358 178.964 176.600 0.011 0.000 0.989 231 E CA 0.916 57.358 56.400 0.070 0.000 0.800 231 E CB -0.144 29.592 29.700 0.060 0.000 0.746 231 E HN 0.595 nan 8.360 nan 0.000 0.452 232 A N 1.069 123.889 122.820 -0.001 0.000 1.902 232 A HA -0.221 4.100 4.320 0.001 0.000 0.217 232 A C 2.090 179.647 177.584 -0.045 0.000 1.181 232 A CA 1.674 53.693 52.037 -0.029 0.000 0.623 232 A CB -0.429 18.547 19.000 -0.041 0.000 0.818 232 A HN 0.079 nan 8.150 nan 0.000 0.443 233 R N -0.638 119.827 120.500 -0.059 0.000 2.066 233 R HA -0.128 4.213 4.340 0.001 0.000 0.232 233 R C 2.499 178.747 176.300 -0.086 0.000 1.131 233 R CA 2.143 58.197 56.100 -0.078 0.000 0.955 233 R CB -0.501 29.735 30.300 -0.106 0.000 0.851 233 R HN 0.654 nan 8.270 nan 0.000 0.432 234 T N -1.426 113.057 114.554 -0.118 0.000 2.867 234 T HA -0.133 4.218 4.350 0.001 0.000 0.268 234 T C 1.689 176.366 174.700 -0.038 0.000 1.057 234 T CA 1.446 63.490 62.100 -0.093 0.000 1.136 234 T CB -0.069 68.744 68.868 -0.093 0.000 0.874 234 T HN 0.323 nan 8.240 nan 0.000 0.466 235 E N 0.750 120.936 120.200 -0.025 0.000 2.031 235 E HA -0.073 4.277 4.350 0.001 0.000 0.193 235 E C 2.013 178.611 176.600 -0.003 0.000 0.994 235 E CA 1.145 57.540 56.400 -0.009 0.000 0.800 235 E CB -0.710 28.987 29.700 -0.006 0.000 0.752 235 E HN 0.449 nan 8.360 nan 0.000 0.447 236 L N 0.901 122.122 121.223 -0.002 0.000 2.042 236 L HA -0.207 4.134 4.340 0.001 0.000 0.210 236 L C 2.109 178.985 176.870 0.010 0.000 1.076 236 L CA 1.957 56.810 54.840 0.022 0.000 0.749 236 L CB -0.631 41.451 42.059 0.038 0.000 0.893 236 L HN 0.234 nan 8.230 nan 0.000 0.432 237 Q N -0.711 119.089 119.800 0.000 0.000 2.170 237 Q HA -0.247 4.094 4.340 0.001 0.000 0.203 237 Q C 2.200 178.196 176.000 -0.007 0.000 0.976 237 Q CA 1.692 57.495 55.803 0.000 0.000 0.858 237 Q CB -0.191 28.548 28.738 0.002 0.000 0.907 237 Q HN 0.557 nan 8.270 nan 0.000 0.433 238 K N 1.068 121.462 120.400 -0.009 0.000 2.057 238 K HA -0.135 4.186 4.320 0.001 0.000 0.206 238 K C 1.920 178.513 176.600 -0.012 0.000 1.050 238 K CA 0.958 57.239 56.287 -0.009 0.000 0.935 238 K CB -0.022 32.474 32.500 -0.006 0.000 0.715 238 K HN 0.142 nan 8.250 nan 0.000 0.439 239 I N 1.499 122.062 120.570 -0.012 0.000 2.113 239 I HA -0.314 3.857 4.170 0.001 0.000 0.238 239 I C 2.396 178.489 176.117 -0.039 0.000 1.070 239 I CA 1.178 62.466 61.300 -0.020 0.000 1.332 239 I CB -0.353 37.639 38.000 -0.013 0.000 1.044 239 I HN 0.187 nan 8.210 nan 0.000 0.402 240 L N 0.019 121.214 121.223 -0.047 0.000 2.043 240 L HA -0.286 4.055 4.340 0.001 0.000 0.212 240 L C 2.778 179.619 176.870 -0.048 0.000 1.075 240 L CA 1.587 56.387 54.840 -0.066 0.000 0.752 240 L CB -0.721 41.302 42.059 -0.059 0.000 0.891 240 L HN 0.287 nan 8.230 nan 0.000 0.432 241 S N -0.270 115.412 115.700 -0.030 0.000 2.359 241 S HA -0.241 4.230 4.470 0.001 0.000 0.224 241 S C 1.847 176.432 174.600 -0.025 0.000 1.035 241 S CA 1.812 59.998 58.200 -0.022 0.000 1.018 241 S CB -0.106 63.086 63.200 -0.013 0.000 0.876 241 S HN 0.461 nan 8.310 nan 0.000 0.448 242 E N 0.214 120.399 120.200 -0.025 0.000 2.072 242 E HA -0.072 4.279 4.350 0.001 0.000 0.191 242 E C 2.101 178.683 176.600 -0.031 0.000 0.985 242 E CA 1.151 57.537 56.400 -0.023 0.000 0.801 242 E CB -0.124 29.565 29.700 -0.019 0.000 0.750 242 E HN 0.428 nan 8.360 nan 0.000 0.452 243 I N 0.957 121.502 120.570 -0.043 0.000 2.163 243 I HA -0.263 3.908 4.170 0.001 0.000 0.243 243 I C 2.321 178.410 176.117 -0.047 0.000 1.085 243 I CA 1.452 62.721 61.300 -0.052 0.000 1.347 243 I CB -0.747 37.205 38.000 -0.081 0.000 1.044 243 I HN 0.174 nan 8.210 nan 0.000 0.408 244 I N 0.420 120.962 120.570 -0.047 0.000 2.315 244 I HA -0.279 3.892 4.170 0.001 0.000 0.248 244 I C 2.502 178.600 176.117 -0.032 0.000 1.117 244 I CA 1.321 62.596 61.300 -0.042 0.000 1.404 244 I CB -0.217 37.758 38.000 -0.041 0.000 1.071 244 I HN 0.092 nan 8.210 nan 0.000 0.419 245 I N 0.577 121.131 120.570 -0.027 0.000 2.315 245 I HA -0.253 3.918 4.170 0.001 0.000 0.248 245 I C 2.710 178.815 176.117 -0.020 0.000 1.117 245 I CA 1.232 62.519 61.300 -0.021 0.000 1.404 245 I CB -0.381 37.609 38.000 -0.017 0.000 1.071 245 I HN 0.174 nan 8.210 nan 0.000 0.419 246 A N 0.509 123.315 122.820 -0.022 0.000 1.930 246 A HA -0.180 4.141 4.320 0.001 0.000 0.217 246 A C 2.336 179.908 177.584 -0.020 0.000 1.175 246 A CA 1.331 53.356 52.037 -0.020 0.000 0.627 246 A CB -0.437 18.551 19.000 -0.020 0.000 0.815 246 A HN 0.223 nan 8.150 nan 0.000 0.443 247 R N 0.043 120.528 120.500 -0.025 0.000 2.073 247 R HA -0.080 4.261 4.340 0.001 0.000 0.234 247 R C 2.087 178.374 176.300 -0.023 0.000 1.134 247 R CA 1.974 58.059 56.100 -0.025 0.000 0.952 247 R CB -0.217 30.064 30.300 -0.032 0.000 0.850 247 R HN 0.513 nan 8.270 nan 0.000 0.433 248 K N -0.576 119.810 120.400 -0.023 0.000 2.217 248 K HA 0.001 4.322 4.320 0.001 0.000 0.202 248 K C 1.927 178.517 176.600 -0.017 0.000 1.051 248 K CA 1.021 57.295 56.287 -0.021 0.000 0.952 248 K CB 0.051 32.538 32.500 -0.022 0.000 0.736 248 K HN 0.178 nan 8.250 nan 0.000 0.453 249 A N 1.718 124.529 122.820 -0.016 0.000 1.969 249 A HA 0.064 4.385 4.320 0.001 0.000 0.218 249 A C 1.397 178.974 177.584 -0.012 0.000 1.169 249 A CA 1.141 53.170 52.037 -0.013 0.000 0.635 249 A CB -0.258 18.735 19.000 -0.012 0.000 0.810 249 A HN 0.313 nan 8.150 nan 0.000 0.445 259 S N 2.495 118.207 115.700 0.020 0.000 2.554 259 S HA 0.447 4.918 4.470 0.001 0.000 0.290 259 S C -0.352 174.281 174.600 0.056 0.000 1.309 259 S CA 0.687 58.904 58.200 0.027 0.000 1.047 259 S CB 0.011 63.225 63.200 0.023 0.000 0.828 259 S HN 0.968 nan 8.310 nan 0.000 0.509 260 D N 0.415 120.846 120.400 0.050 0.000 2.626 260 D HA 0.214 4.855 4.640 0.001 0.000 0.278 260 D C 0.667 177.005 176.300 0.063 0.000 1.211 260 D CA -0.913 53.133 54.000 0.077 0.000 0.903 260 D CB 0.090 40.933 40.800 0.072 0.000 1.408 260 D HN 0.292 nan 8.370 nan 0.000 0.454 261 L N 0.295 121.566 121.223 0.081 0.000 1.991 261 L HA -0.184 4.157 4.340 0.001 0.000 0.221 261 L C 2.155 179.040 176.870 0.026 0.000 1.079 261 L CA 1.995 56.872 54.840 0.061 0.000 0.778 261 L CB -1.079 41.030 42.059 0.083 0.000 0.893 261 L HN 0.621 nan 8.230 nan 0.000 0.437 262 L N -0.674 120.553 121.223 0.006 0.000 1.989 262 L HA -0.216 4.125 4.340 0.001 0.000 0.211 262 L C 2.776 179.618 176.870 -0.047 0.000 1.071 262 L CA 2.364 57.178 54.840 -0.044 0.000 0.749 262 L CB -1.081 40.920 42.059 -0.097 0.000 0.890 262 L HN 0.634 nan 8.230 nan 0.000 0.431 263 S N -1.013 114.665 115.700 -0.036 0.000 2.399 263 S HA -0.088 4.383 4.470 0.001 0.000 0.231 263 S C 2.132 176.700 174.600 -0.054 0.000 1.022 263 S CA 0.772 58.945 58.200 -0.044 0.000 0.983 263 S CB -1.681 61.500 63.200 -0.031 0.000 0.803 263 S HN 0.536 nan 8.310 nan 0.000 0.480 264 G N 2.318 111.096 108.800 -0.037 0.000 2.459 264 G HA2 -0.121 3.840 3.960 0.001 0.000 0.217 264 G HA3 -0.121 3.840 3.960 0.001 0.000 0.217 264 G C 1.460 176.300 174.900 -0.099 0.000 1.183 264 G CA 1.117 46.190 45.100 -0.045 0.000 0.776 264 G HN 0.523 nan 8.290 nan 0.000 0.552 265 L N -0.078 121.090 121.223 -0.092 0.000 2.093 265 L HA 0.049 4.389 4.340 0.001 0.000 0.208 265 L C 2.825 179.572 176.870 -0.205 0.000 1.085 265 L CA 0.354 55.103 54.840 -0.151 0.000 0.755 265 L CB -0.344 41.667 42.059 -0.079 0.000 0.904 265 L HN 0.157 nan 8.230 nan 0.000 0.435 266 L N -0.388 120.749 121.223 -0.143 0.000 2.353 266 L HA -0.143 4.198 4.340 0.001 0.000 0.220 266 L C 2.285 179.054 176.870 -0.168 0.000 1.133 266 L CA 1.230 55.986 54.840 -0.139 0.000 0.798 266 L CB -0.296 41.706 42.059 -0.094 0.000 0.922 266 L HN 0.391 nan 8.230 nan 0.000 0.445 267 S N -1.565 114.025 115.700 -0.184 0.000 2.539 267 S HA 0.337 4.808 4.470 0.001 0.000 0.221 267 S C 0.791 175.230 174.600 -0.268 0.000 0.987 267 S CA -0.213 57.879 58.200 -0.180 0.000 0.929 267 S CB 0.151 63.280 63.200 -0.119 0.000 0.832 267 S HN 0.155 nan 8.310 nan 0.000 0.492 268 A N 1.285 123.832 122.820 -0.456 0.000 2.407 268 A HA 0.648 4.969 4.320 0.001 0.000 0.248 268 A C -0.200 176.966 177.584 -0.697 0.000 1.082 268 A CA -0.327 51.225 52.037 -0.808 0.000 0.785 268 A CB 0.495 18.472 19.000 -1.704 0.000 1.020 268 A HN 0.476 nan 8.150 nan 0.000 0.489 269 V N 2.407 122.016 119.914 -0.508 0.000 2.638 269 V HA 0.292 4.413 4.120 0.001 0.000 0.306 269 V C -0.738 175.352 176.094 -0.008 0.000 1.052 269 V CA -0.482 61.669 62.300 -0.249 0.000 0.885 269 V CB 1.276 33.048 31.823 -0.085 0.000 0.999 269 V HN 0.859 nan 8.190 nan 0.000 0.424 270 Y N 2.644 123.051 120.300 0.179 0.000 2.296 270 Y HA 0.189 4.740 4.550 0.001 0.000 0.343 270 Y C 1.880 177.869 175.900 0.148 0.000 1.292 270 Y CA -0.072 58.181 58.100 0.254 0.000 1.490 270 Y CB 0.516 39.077 38.460 0.168 0.000 1.359 270 Y HN 0.517 nan 8.280 nan 0.000 0.599 271 R N 0.141 120.820 120.500 0.297 0.000 2.117 271 R HA -0.199 4.142 4.340 0.001 0.000 0.243 271 R C 0.188 176.566 176.300 0.131 0.000 1.143 271 R CA 1.699 57.895 56.100 0.160 0.000 0.968 271 R CB -0.648 29.715 30.300 0.104 0.000 0.863 271 R HN 0.786 nan 8.270 nan 0.000 0.444 272 D N -1.703 118.787 120.400 0.149 0.000 2.325 272 D HA 0.005 4.646 4.640 0.001 0.000 0.262 272 D C 1.313 177.682 176.300 0.115 0.000 1.263 272 D CA 0.170 54.235 54.000 0.107 0.000 1.020 272 D CB -0.207 40.643 40.800 0.083 0.000 1.117 272 D HN -0.022 nan 8.370 nan 0.000 0.545 273 G N -1.856 106.996 108.800 0.087 0.000 2.509 273 G HA2 -0.001 3.960 3.960 0.001 0.000 0.218 273 G HA3 -0.001 3.960 3.960 0.001 0.000 0.218 273 G C 0.686 175.633 174.900 0.079 0.000 1.124 273 G CA 1.146 46.289 45.100 0.070 0.000 0.776 273 G HN 0.783 nan 8.290 nan 0.000 0.547 274 T N -0.931 113.705 114.554 0.136 0.000 2.902 274 T HA 0.638 4.989 4.350 0.001 0.000 0.283 274 T C -2.697 172.057 174.700 0.090 0.000 1.009 274 T CA -2.134 60.048 62.100 0.136 0.000 1.051 274 T CB 3.121 72.106 68.868 0.194 0.000 0.999 274 T HN -0.101 nan 8.240 nan 0.000 0.474 275 P HA 0.276 nan 4.420 nan 0.000 0.277 275 P C -0.167 177.090 177.300 -0.072 0.000 1.271 275 P CA -0.822 62.202 63.100 -0.126 0.000 0.795 275 P CB 0.582 32.225 31.700 -0.095 0.000 1.101 276 M N 0.526 120.002 119.600 -0.207 0.000 2.238 276 M HA 0.108 4.588 4.480 0.001 0.000 0.347 276 M C 1.112 177.425 176.300 0.022 0.000 1.173 276 M CA 0.158 55.435 55.300 -0.038 0.000 1.147 276 M CB 0.366 32.888 32.600 -0.131 0.000 1.547 276 M HN 0.394 nan 8.290 nan 0.000 0.455 277 S N 2.250 118.003 115.700 0.089 0.000 2.603 277 S HA 0.124 4.595 4.470 0.001 0.000 0.268 277 S C 0.797 175.428 174.600 0.051 0.000 1.317 277 S CA -0.865 57.384 58.200 0.082 0.000 1.012 277 S CB 0.864 64.153 63.200 0.149 0.000 0.926 277 S HN 0.755 nan 8.310 nan 0.000 0.539 278 L N 1.445 122.701 121.223 0.055 0.000 2.043 278 L HA -0.209 4.132 4.340 0.001 0.000 0.212 278 L C 2.581 179.491 176.870 0.068 0.000 1.075 278 L CA 2.617 57.482 54.840 0.042 0.000 0.752 278 L CB -1.221 40.863 42.059 0.042 0.000 0.891 278 L HN 1.047 nan 8.230 nan 0.000 0.432 279 H N -0.838 118.243 119.070 0.019 0.000 2.457 279 H HA -0.125 4.432 4.556 0.001 0.000 0.294 279 H C 1.762 177.120 175.328 0.050 0.000 1.064 279 H CA 1.662 57.725 56.048 0.024 0.000 1.330 279 H CB 0.125 29.898 29.762 0.018 0.000 1.395 279 H HN 0.592 nan 8.280 nan 0.000 0.541 280 E N 0.445 120.421 120.200 -0.374 0.000 2.072 280 E HA -0.078 4.273 4.350 0.001 0.000 0.190 280 E C 2.633 179.179 176.600 -0.091 0.000 0.982 280 E CA 1.092 57.319 56.400 -0.288 0.000 0.803 280 E CB 0.236 29.888 29.700 -0.080 0.000 0.755 280 E HN 0.205 nan 8.360 nan 0.000 0.453 281 V N 1.202 121.090 119.914 -0.043 0.000 2.255 281 V HA -0.348 3.773 4.120 0.001 0.000 0.247 281 V C 2.541 178.637 176.094 0.003 0.000 1.051 281 V CA 1.840 64.129 62.300 -0.018 0.000 1.018 281 V CB -0.552 31.252 31.823 -0.032 0.000 0.641 281 V HN 0.578 nan 8.190 nan 0.000 0.445 282 C N 1.152 120.455 119.300 0.005 0.000 2.413 282 C HA -0.113 4.348 4.460 0.001 0.000 0.276 282 C C 2.966 177.983 174.990 0.046 0.000 1.248 282 C CA 1.023 60.060 59.018 0.032 0.000 1.742 282 C CB -1.632 26.133 27.740 0.041 0.000 2.017 282 C HN 0.631 nan 8.230 nan 0.000 0.481 283 G N 0.316 109.129 108.800 0.022 0.000 2.440 283 G HA2 -0.181 3.780 3.960 0.001 0.000 0.218 283 G HA3 -0.181 3.780 3.960 0.001 0.000 0.218 283 G C 1.557 176.502 174.900 0.074 0.000 1.154 283 G CA 1.186 46.312 45.100 0.042 0.000 0.767 283 G HN 0.461 nan 8.290 nan 0.000 0.552 284 M N 0.238 119.894 119.600 0.093 0.000 2.175 284 M HA 0.154 4.635 4.480 0.001 0.000 0.264 284 M C 2.576 178.939 176.300 0.105 0.000 1.063 284 M CA 0.658 56.033 55.300 0.125 0.000 1.119 284 M CB -0.860 31.809 32.600 0.116 0.000 1.377 284 M HN 0.246 nan 8.290 nan 0.000 0.415 285 I N -0.028 120.602 120.570 0.099 0.000 2.163 285 I HA -0.237 3.934 4.170 0.001 0.000 0.240 285 I C 2.419 178.653 176.117 0.195 0.000 1.081 285 I CA 1.378 62.762 61.300 0.140 0.000 1.353 285 I CB -0.563 37.517 38.000 0.134 0.000 1.054 285 I HN 0.175 nan 8.210 nan 0.000 0.407 286 V N -0.228 119.797 119.914 0.184 0.000 2.407 286 V HA -0.194 3.927 4.120 0.001 0.000 0.248 286 V C 2.551 178.697 176.094 0.087 0.000 1.055 286 V CA 1.672 64.090 62.300 0.196 0.000 1.049 286 V CB -1.261 30.607 31.823 0.074 0.000 0.662 286 V HN 0.333 nan 8.190 nan 0.000 0.455 287 A N 0.815 123.600 122.820 -0.058 0.000 1.902 287 A HA 0.043 4.364 4.320 0.001 0.000 0.217 287 A C 2.559 180.197 177.584 0.090 0.000 1.181 287 A CA 2.571 54.504 52.037 -0.175 0.000 0.623 287 A CB -1.206 17.605 19.000 -0.315 0.000 0.818 287 A HN 1.038 nan 8.150 nan 0.000 0.443 288 A N -0.725 122.165 122.820 0.117 0.000 1.883 288 A HA -0.155 4.166 4.320 0.001 0.000 0.217 288 A C 2.183 179.842 177.584 0.125 0.000 1.186 288 A CA 2.108 54.217 52.037 0.120 0.000 0.624 288 A CB -0.478 18.568 19.000 0.076 0.000 0.822 288 A HN 0.443 nan 8.150 nan 0.000 0.444 289 M N -1.880 117.816 119.600 0.160 0.000 2.254 289 M HA 0.032 4.513 4.480 0.001 0.000 0.265 289 M C 2.089 178.491 176.300 0.170 0.000 1.066 289 M CA 0.948 56.346 55.300 0.162 0.000 1.123 289 M CB -1.268 31.521 32.600 0.316 0.000 1.388 289 M HN 0.578 nan 8.290 nan 0.000 0.425 290 F N 1.452 121.451 119.950 0.082 0.000 2.206 290 F HA -0.002 4.526 4.527 0.001 0.000 0.298 290 F C 2.274 178.153 175.800 0.132 0.000 1.090 290 F CA 1.386 59.440 58.000 0.091 0.000 1.323 290 F CB -0.242 38.778 39.000 0.033 0.000 1.028 290 F HN 0.085 nan 8.300 nan 0.000 0.492 291 A N 0.378 123.247 122.820 0.081 0.000 1.902 291 A HA -0.016 4.305 4.320 0.001 0.000 0.217 291 A C 2.431 180.006 177.584 -0.013 0.000 1.181 291 A CA 1.643 53.701 52.037 0.035 0.000 0.623 291 A CB -1.748 17.364 19.000 0.186 0.000 0.818 291 A HN 0.497 nan 8.150 nan 0.000 0.443 292 G N -1.408 107.408 108.800 0.027 0.000 2.464 292 G HA2 -0.052 3.909 3.960 0.001 0.000 0.217 292 G HA3 -0.052 3.909 3.960 0.001 0.000 0.217 292 G C 1.554 176.413 174.900 -0.068 0.000 1.138 292 G CA 1.086 46.214 45.100 0.047 0.000 0.793 292 G HN 0.487 nan 8.290 nan 0.000 0.539 293 Q N 0.902 120.589 119.800 -0.188 0.000 1.975 293 Q HA -0.137 4.204 4.340 0.001 0.000 0.205 293 Q C 2.233 177.997 176.000 -0.394 0.000 0.990 293 Q CA 2.106 57.691 55.803 -0.364 0.000 0.845 293 Q CB -0.563 27.811 28.738 -0.607 0.000 0.913 293 Q HN 0.685 nan 8.270 nan 0.000 0.420 294 H N -1.345 117.604 119.070 -0.202 0.000 2.415 294 H HA 0.077 4.633 4.556 0.001 0.000 0.297 294 H C 2.032 177.299 175.328 -0.101 0.000 1.048 294 H CA 1.610 57.560 56.048 -0.162 0.000 1.365 294 H CB -0.310 29.326 29.762 -0.211 0.000 1.421 294 H HN 0.492 nan 8.280 nan 0.000 0.533 295 T N -1.332 113.238 114.554 0.027 0.000 2.720 295 T HA -0.174 4.177 4.350 0.001 0.000 0.268 295 T C 2.145 176.876 174.700 0.051 0.000 1.037 295 T CA 1.577 63.711 62.100 0.057 0.000 1.144 295 T CB -0.493 68.429 68.868 0.090 0.000 0.864 295 T HN 0.219 nan 8.240 nan 0.000 0.444 296 S N 1.737 117.443 115.700 0.009 0.000 2.362 296 S HA -0.023 4.447 4.470 0.001 0.000 0.221 296 S C 2.545 177.121 174.600 -0.039 0.000 1.032 296 S CA 0.950 59.147 58.200 -0.006 0.000 0.973 296 S CB -0.588 62.579 63.200 -0.055 0.000 0.849 296 S HN 0.587 nan 8.310 nan 0.000 0.465 297 S N 2.215 117.864 115.700 -0.084 0.000 2.368 297 S HA -0.151 4.320 4.470 0.001 0.000 0.226 297 S C 1.824 176.371 174.600 -0.088 0.000 1.044 297 S CA 1.575 59.710 58.200 -0.109 0.000 1.062 297 S CB -0.612 62.510 63.200 -0.130 0.000 0.931 297 S HN 0.396 nan 8.310 nan 0.000 0.440 298 I N 1.199 121.738 120.570 -0.051 0.000 2.179 298 I HA -0.206 3.965 4.170 0.001 0.000 0.242 298 I C 2.632 178.792 176.117 0.071 0.000 1.088 298 I CA 1.316 62.583 61.300 -0.054 0.000 1.357 298 I CB -0.907 37.109 38.000 0.028 0.000 1.051 298 I HN 0.284 nan 8.210 nan 0.000 0.409 299 T N 0.220 114.853 114.554 0.132 0.000 2.635 299 T HA -0.215 4.136 4.350 0.001 0.000 0.267 299 T C 1.890 176.672 174.700 0.137 0.000 1.040 299 T CA 2.292 64.502 62.100 0.183 0.000 1.156 299 T CB -0.544 68.412 68.868 0.146 0.000 0.863 299 T HN 0.403 nan 8.240 nan 0.000 0.430 300 T N 1.996 116.581 114.554 0.051 0.000 2.607 300 T HA -0.164 4.187 4.350 0.001 0.000 0.267 300 T C 2.284 176.971 174.700 -0.023 0.000 1.049 300 T CA 1.936 64.045 62.100 0.014 0.000 1.162 300 T CB -1.044 67.796 68.868 -0.046 0.000 0.863 300 T HN 0.424 nan 8.240 nan 0.000 0.424 301 T N 0.511 115.003 114.554 -0.103 0.000 2.607 301 T HA -0.179 4.172 4.350 0.001 0.000 0.267 301 T C 1.624 176.208 174.700 -0.193 0.000 1.049 301 T CA 1.620 63.598 62.100 -0.205 0.000 1.162 301 T CB -0.755 67.925 68.868 -0.314 0.000 0.863 301 T HN 0.531 nan 8.240 nan 0.000 0.424 302 W N 1.252 122.431 121.300 -0.202 0.000 2.318 302 W HA -0.196 4.465 4.660 0.001 0.000 0.313 302 W C 3.126 179.412 176.519 -0.388 0.000 1.221 302 W CA 0.875 58.016 57.345 -0.340 0.000 1.266 302 W CB -0.460 28.870 29.460 -0.216 0.000 1.150 302 W HN 0.172 nan 8.180 nan 0.000 0.496 303 S N 0.102 115.868 115.700 0.111 0.000 2.359 303 S HA -0.249 4.221 4.470 0.001 0.000 0.224 303 S C 1.712 176.338 174.600 0.044 0.000 1.035 303 S CA 1.793 60.052 58.200 0.098 0.000 1.018 303 S CB -0.525 62.788 63.200 0.187 0.000 0.876 303 S HN 0.219 nan 8.310 nan 0.000 0.448 304 M N 0.521 120.154 119.600 0.055 0.000 2.175 304 M HA -0.060 4.421 4.480 0.001 0.000 0.264 304 M C 2.000 178.311 176.300 0.018 0.000 1.063 304 M CA 1.220 56.586 55.300 0.110 0.000 1.119 304 M CB -0.646 31.872 32.600 -0.137 0.000 1.377 304 M HN 0.253 nan 8.290 nan 0.000 0.415 305 L N -0.800 120.342 121.223 -0.135 0.000 2.017 305 L HA -0.233 4.108 4.340 0.001 0.000 0.208 305 L C 2.740 179.535 176.870 -0.125 0.000 1.073 305 L CA 1.117 55.865 54.840 -0.153 0.000 0.745 305 L CB -1.021 40.895 42.059 -0.238 0.000 0.894 305 L HN 0.322 nan 8.230 nan 0.000 0.432 306 H N 0.088 118.995 119.070 -0.272 0.000 2.267 306 H HA -0.176 4.381 4.556 0.001 0.000 0.297 306 H C 2.399 177.550 175.328 -0.294 0.000 1.080 306 H CA 1.647 57.343 56.048 -0.587 0.000 1.278 306 H CB -0.634 28.015 29.762 -1.855 0.000 1.365 306 H HN 0.254 nan 8.280 nan 0.000 0.489 307 L N 0.699 121.879 121.223 -0.072 0.000 2.081 307 L HA -0.215 4.126 4.340 0.001 0.000 0.212 307 L C 2.719 179.710 176.870 0.201 0.000 1.080 307 L CA 1.585 56.495 54.840 0.117 0.000 0.754 307 L CB -0.397 41.682 42.059 0.035 0.000 0.893 307 L HN 0.339 nan 8.230 nan 0.000 0.433 308 M N -2.357 117.405 119.600 0.269 0.000 2.558 308 M HA -0.003 4.478 4.480 0.001 0.000 0.255 308 M C 1.076 177.508 176.300 0.220 0.000 1.113 308 M CA 0.801 56.282 55.300 0.303 0.000 1.097 308 M CB -0.383 32.422 32.600 0.342 0.000 1.426 308 M HN 0.064 nan 8.290 nan 0.000 0.488 309 H N 2.796 121.937 119.070 0.119 0.000 2.848 309 H HA 0.113 4.670 4.556 0.002 0.000 0.341 309 H C -1.896 173.506 175.328 0.124 0.000 1.060 309 H CA -0.686 55.427 56.048 0.109 0.000 1.444 309 H CB 1.172 30.999 29.762 0.109 0.000 1.446 309 H HN 0.040 nan 8.280 nan 0.000 0.583 310 P HA -0.138 nan 4.420 nan 0.000 0.216 310 P C 1.176 178.574 177.300 0.163 0.000 1.150 310 P CA 1.945 65.050 63.100 0.008 0.000 0.837 310 P CB -0.024 31.614 31.700 -0.104 0.000 0.786 311 A N -0.323 122.711 122.820 0.357 0.000 2.093 311 A HA -0.208 4.113 4.320 0.001 0.000 0.222 311 A C 1.646 179.414 177.584 0.308 0.000 1.162 311 A CA 1.757 54.000 52.037 0.343 0.000 0.655 311 A CB -1.062 18.172 19.000 0.390 0.000 0.805 311 A HN 0.208 nan 8.150 nan 0.000 0.461 312 N N -0.275 118.640 118.700 0.359 0.000 2.234 312 N HA 0.096 4.837 4.740 0.001 0.000 0.227 312 N C 1.419 177.103 175.510 0.290 0.000 1.151 312 N CA 0.762 54.077 53.050 0.442 0.000 0.865 312 N CB 0.473 39.312 38.487 0.585 0.000 1.066 312 N HN 0.419 nan 8.380 nan 0.000 0.515 313 V N -0.807 119.206 119.914 0.165 0.000 2.317 313 V HA -0.297 3.824 4.120 0.001 0.000 0.251 313 V C 2.271 178.381 176.094 0.027 0.000 1.065 313 V CA 1.509 63.863 62.300 0.089 0.000 1.049 313 V CB -0.564 31.291 31.823 0.053 0.000 0.651 313 V HN -0.040 nan 8.190 nan 0.000 0.450 314 K N 0.650 121.017 120.400 -0.054 0.000 2.020 314 K HA -0.180 4.140 4.320 0.001 0.000 0.212 314 K C 2.053 178.547 176.600 -0.176 0.000 1.050 314 K CA 2.495 58.673 56.287 -0.181 0.000 0.929 314 K CB -0.919 31.375 32.500 -0.343 0.000 0.714 314 K HN 0.829 nan 8.250 nan 0.000 0.443 315 H N -0.886 118.253 119.070 0.115 0.000 2.387 315 H HA -0.071 4.486 4.556 0.002 0.000 0.299 315 H C 1.726 177.165 175.328 0.185 0.000 1.090 315 H CA 1.190 57.379 56.048 0.236 0.000 1.332 315 H CB -0.100 29.931 29.762 0.448 0.000 1.386 315 H HN 0.041 nan 8.280 nan 0.000 0.516 316 L N 1.282 122.635 121.223 0.217 0.000 2.046 316 L HA -0.142 4.199 4.340 0.001 0.000 0.208 316 L C 1.908 178.766 176.870 -0.020 0.000 1.077 316 L CA 1.721 56.590 54.840 0.047 0.000 0.747 316 L CB -0.406 41.665 42.059 0.020 0.000 0.896 316 L HN 0.184 nan 8.230 nan 0.000 0.432 317 E N -0.378 119.804 120.200 -0.030 0.000 2.058 317 E HA -0.235 4.115 4.350 0.001 0.000 0.194 317 E C 2.208 178.721 176.600 -0.145 0.000 0.997 317 E CA 1.349 57.704 56.400 -0.074 0.000 0.801 317 E CB -0.347 29.308 29.700 -0.076 0.000 0.746 317 E HN 0.670 nan 8.360 nan 0.000 0.450 318 A N 0.661 123.333 122.820 -0.247 0.000 1.940 318 A HA -0.189 4.132 4.320 0.001 0.000 0.219 318 A C 2.113 179.453 177.584 -0.407 0.000 1.176 318 A CA 1.129 52.862 52.037 -0.506 0.000 0.631 318 A CB -0.464 17.886 19.000 -1.082 0.000 0.814 318 A HN 0.243 nan 8.150 nan 0.000 0.446 319 L N -0.435 120.700 121.223 -0.147 0.000 2.072 319 L HA -0.046 4.295 4.340 0.001 0.000 0.205 319 L C 2.462 179.321 176.870 -0.018 0.000 1.079 319 L CA 1.570 56.440 54.840 0.051 0.000 0.752 319 L CB -0.412 41.725 42.059 0.130 0.000 0.906 319 L HN 0.279 nan 8.230 nan 0.000 0.436 320 R N -0.471 120.003 120.500 -0.043 0.000 2.152 320 R HA -0.152 4.189 4.340 0.001 0.000 0.232 320 R C 2.230 178.486 176.300 -0.074 0.000 1.117 320 R CA 1.069 57.153 56.100 -0.026 0.000 0.981 320 R CB -0.266 30.030 30.300 -0.007 0.000 0.870 320 R HN 0.418 nan 8.270 nan 0.000 0.451 321 K N 0.858 121.190 120.400 -0.113 0.000 2.025 321 K HA -0.177 4.144 4.320 0.001 0.000 0.207 321 K C 1.977 178.472 176.600 -0.175 0.000 1.049 321 K CA 1.220 57.425 56.287 -0.136 0.000 0.933 321 K CB -0.022 32.385 32.500 -0.154 0.000 0.714 321 K HN 0.135 nan 8.250 nan 0.000 0.438 322 E N 0.485 120.579 120.200 -0.177 0.000 2.209 322 E HA -0.179 4.172 4.350 0.001 0.000 0.196 322 E C 1.461 177.748 176.600 -0.521 0.000 0.993 322 E CA 1.126 57.389 56.400 -0.228 0.000 0.819 322 E CB 0.122 29.783 29.700 -0.065 0.000 0.745 322 E HN 0.311 nan 8.360 nan 0.000 0.477 323 I N -0.193 120.147 120.570 -0.384 0.000 4.070 323 I HA -0.014 4.157 4.170 0.001 0.000 0.328 323 I C 1.982 177.940 176.117 -0.264 0.000 1.298 323 I CA -0.148 60.880 61.300 -0.454 0.000 1.173 323 I CB 0.042 38.013 38.000 -0.049 0.000 1.051 323 I HN -0.010 nan 8.210 nan 0.000 0.409 324 E N 1.740 121.833 120.200 -0.179 0.000 2.136 324 E HA -0.293 4.058 4.350 0.001 0.000 0.202 324 E C 1.461 178.026 176.600 -0.059 0.000 1.019 324 E CA 1.771 58.121 56.400 -0.084 0.000 0.819 324 E CB 0.077 29.732 29.700 -0.074 0.000 0.739 324 E HN 0.537 nan 8.360 nan 0.000 0.458 325 E N -1.142 118.991 120.200 -0.113 0.000 2.472 325 E HA 0.029 4.380 4.350 0.001 0.000 0.196 325 E C -0.113 176.577 176.600 0.151 0.000 1.033 325 E CA -0.405 55.994 56.400 -0.001 0.000 0.886 325 E CB 0.238 29.934 29.700 -0.007 0.000 0.944 325 E HN -0.028 nan 8.360 nan 0.000 0.492 326 F N 1.966 121.942 119.950 0.042 0.000 2.545 326 F HA 0.127 4.655 4.527 0.002 0.000 0.348 326 F C -1.459 174.368 175.800 0.044 0.000 1.163 326 F CA -3.042 54.986 58.000 0.046 0.000 1.331 326 F CB -0.309 38.725 39.000 0.057 0.000 1.138 326 F HN -0.048 nan 8.300 nan 0.000 0.602 327 P HA 0.196 nan 4.420 nan 0.000 0.274 327 P C 0.024 177.394 177.300 0.117 0.000 1.246 327 P CA -0.145 63.032 63.100 0.128 0.000 0.795 327 P CB 0.662 32.408 31.700 0.077 0.000 1.006 328 A N 1.744 124.616 122.820 0.088 0.000 1.859 328 A HA -0.184 4.137 4.320 0.001 0.000 0.218 328 A C 1.046 178.672 177.584 0.071 0.000 1.209 328 A CA 1.501 53.585 52.037 0.079 0.000 0.639 328 A CB -1.164 17.872 19.000 0.059 0.000 0.835 328 A HN 0.615 nan 8.150 nan 0.000 0.450 329 Q N 0.626 120.458 119.800 0.054 0.000 2.361 329 Q HA 0.488 4.829 4.340 0.001 0.000 0.250 329 Q C -0.634 175.376 176.000 0.017 0.000 1.023 329 Q CA 0.007 55.835 55.803 0.041 0.000 0.915 329 Q CB 0.646 29.409 28.738 0.041 0.000 1.238 329 Q HN 0.541 nan 8.270 nan 0.000 0.451 330 L N 2.460 123.681 121.223 -0.004 0.000 2.476 330 L HA 0.211 4.552 4.340 0.001 0.000 0.255 330 L C 1.101 177.940 176.870 -0.052 0.000 1.218 330 L CA -0.218 54.574 54.840 -0.080 0.000 0.819 330 L CB 0.123 42.114 42.059 -0.113 0.000 1.119 330 L HN 0.636 nan 8.230 nan 0.000 0.485 331 N N -0.879 117.769 118.700 -0.086 0.000 2.701 331 N HA 0.054 4.795 4.740 0.001 0.000 0.290 331 N C 0.593 176.117 175.510 0.023 0.000 1.338 331 N CA -0.728 52.321 53.050 -0.002 0.000 0.799 331 N CB 0.877 39.376 38.487 0.019 0.000 1.491 331 N HN 0.600 nan 8.380 nan 0.000 0.540 332 Y N 1.208 121.499 120.300 -0.015 0.000 2.069 332 Y HA -0.297 4.254 4.550 0.002 0.000 0.278 332 Y C 1.771 177.665 175.900 -0.009 0.000 1.175 332 Y CA 2.637 60.744 58.100 0.013 0.000 1.134 332 Y CB -0.641 37.832 38.460 0.022 0.000 0.965 332 Y HN 0.683 nan 8.280 nan 0.000 0.498 333 N N -0.072 118.663 118.700 0.059 0.000 2.084 333 N HA -0.216 4.525 4.740 0.001 0.000 0.190 333 N C 1.472 176.906 175.510 -0.127 0.000 1.030 333 N CA 1.256 54.295 53.050 -0.017 0.000 0.849 333 N CB -0.291 38.239 38.487 0.071 0.000 1.012 333 N HN 0.364 nan 8.380 nan 0.000 0.423 334 N N 0.415 118.986 118.700 -0.215 0.000 2.060 334 N HA -0.152 4.589 4.740 0.001 0.000 0.195 334 N C 1.677 177.001 175.510 -0.309 0.000 1.028 334 N CA 1.227 53.989 53.050 -0.479 0.000 0.861 334 N CB -0.550 37.380 38.487 -0.928 0.000 1.029 334 N HN 0.127 nan 8.380 nan 0.000 0.428 335 V N 0.752 120.525 119.914 -0.235 0.000 2.374 335 V HA -0.016 4.105 4.120 0.001 0.000 0.241 335 V C 2.343 178.365 176.094 -0.119 0.000 1.034 335 V CA 0.942 63.169 62.300 -0.121 0.000 1.037 335 V CB -0.282 31.476 31.823 -0.107 0.000 0.682 335 V HN 0.172 nan 8.190 nan 0.000 0.463 336 M N -0.117 119.325 119.600 -0.264 0.000 2.229 336 M HA -0.066 4.415 4.480 0.001 0.000 0.264 336 M C 1.288 177.500 176.300 -0.146 0.000 1.063 336 M CA 1.589 56.720 55.300 -0.281 0.000 1.114 336 M CB -0.819 31.367 32.600 -0.690 0.000 1.387 336 M HN 0.361 nan 8.290 nan 0.000 0.420 337 D N -1.259 119.074 120.400 -0.111 0.000 2.498 337 D HA 0.107 4.748 4.640 0.001 0.000 0.223 337 D C 0.434 176.759 176.300 0.041 0.000 1.125 337 D CA 0.257 54.243 54.000 -0.022 0.000 0.835 337 D CB 0.618 41.415 40.800 -0.005 0.000 1.086 337 D HN 0.394 nan 8.370 nan 0.000 0.510 338 E N -0.072 120.175 120.200 0.078 0.000 2.812 338 E HA 0.293 4.644 4.350 0.001 0.000 0.211 338 E C 0.249 177.013 176.600 0.273 0.000 0.986 338 E CA 0.012 56.522 56.400 0.183 0.000 1.119 338 E CB 1.180 31.032 29.700 0.254 0.000 1.046 338 E HN -0.024 nan 8.360 nan 0.000 0.474 339 M N 1.745 121.460 119.600 0.193 0.000 3.124 339 M HA 0.189 4.670 4.480 0.001 0.000 0.298 339 M C -2.094 174.290 176.300 0.140 0.000 1.403 339 M CA -1.412 54.014 55.300 0.210 0.000 0.651 339 M CB 1.107 33.845 32.600 0.230 0.000 1.412 339 M HN -0.093 nan 8.290 nan 0.000 0.477 340 P HA -0.123 nan 4.420 nan 0.000 0.221 340 P C 1.212 178.576 177.300 0.106 0.000 1.150 340 P CA 1.150 64.305 63.100 0.092 0.000 0.800 340 P CB 0.087 31.838 31.700 0.085 0.000 0.787 341 F N 1.384 121.349 119.950 0.025 0.000 2.187 341 F HA 0.125 4.653 4.527 0.002 0.000 0.295 341 F C 2.414 178.238 175.800 0.040 0.000 1.091 341 F CA 1.155 59.164 58.000 0.015 0.000 1.308 341 F CB -0.748 38.260 39.000 0.013 0.000 1.030 341 F HN -0.107 nan 8.300 nan 0.000 0.487 342 A N 0.222 123.119 122.820 0.128 0.000 1.892 342 A HA -0.324 3.997 4.320 0.001 0.000 0.218 342 A C 2.141 179.712 177.584 -0.023 0.000 1.188 342 A CA 2.147 54.226 52.037 0.070 0.000 0.631 342 A CB -1.213 17.884 19.000 0.161 0.000 0.822 342 A HN 0.549 nan 8.150 nan 0.000 0.447 343 E N -0.537 119.660 120.200 -0.005 0.000 2.118 343 E HA -0.225 4.126 4.350 0.001 0.000 0.195 343 E C 2.195 178.736 176.600 -0.099 0.000 0.992 343 E CA 1.415 57.804 56.400 -0.018 0.000 0.804 343 E CB -0.096 29.604 29.700 0.001 0.000 0.741 343 E HN 0.605 nan 8.360 nan 0.000 0.458 344 R N -0.713 119.658 120.500 -0.215 0.000 2.115 344 R HA -0.050 4.291 4.340 0.001 0.000 0.230 344 R C 2.413 178.481 176.300 -0.385 0.000 1.111 344 R CA 1.164 57.064 56.100 -0.333 0.000 0.976 344 R CB -0.212 29.834 30.300 -0.423 0.000 0.870 344 R HN 0.320 nan 8.270 nan 0.000 0.445 345 C N -0.295 118.786 119.300 -0.364 0.000 2.446 345 C HA 0.013 4.474 4.460 0.001 0.000 0.277 345 C C 2.841 177.923 174.990 0.152 0.000 1.275 345 C CA 0.741 59.709 59.018 -0.083 0.000 1.727 345 C CB -0.753 27.023 27.740 0.061 0.000 2.010 345 C HN 0.586 nan 8.230 nan 0.000 0.486 346 A N 0.694 123.564 122.820 0.084 0.000 1.855 346 A HA -0.157 4.164 4.320 0.001 0.000 0.215 346 A C 2.249 179.900 177.584 0.113 0.000 1.191 346 A CA 1.309 53.428 52.037 0.136 0.000 0.613 346 A CB -0.550 18.525 19.000 0.126 0.000 0.829 346 A HN 0.624 nan 8.150 nan 0.000 0.442 347 R N -0.812 119.704 120.500 0.026 0.000 2.081 347 R HA -0.160 4.181 4.340 0.001 0.000 0.235 347 R C 2.236 178.475 176.300 -0.101 0.000 1.131 347 R CA 1.602 57.672 56.100 -0.051 0.000 0.960 347 R CB -0.227 29.939 30.300 -0.222 0.000 0.856 347 R HN 0.642 nan 8.270 nan 0.000 0.436 348 E N 0.498 120.605 120.200 -0.154 0.000 2.152 348 E HA -0.081 4.270 4.350 0.001 0.000 0.192 348 E C 1.628 178.246 176.600 0.030 0.000 0.983 348 E CA 1.425 57.698 56.400 -0.213 0.000 0.818 348 E CB 0.081 29.463 29.700 -0.529 0.000 0.758 348 E HN 0.099 nan 8.360 nan 0.000 0.467 349 S N 0.084 115.956 115.700 0.287 0.000 2.368 349 S HA -0.103 4.368 4.470 0.001 0.000 0.225 349 S C 1.945 176.574 174.600 0.049 0.000 1.030 349 S CA 1.249 59.614 58.200 0.276 0.000 0.999 349 S CB -0.321 63.083 63.200 0.339 0.000 0.844 349 S HN 0.303 nan 8.310 nan 0.000 0.459 350 I N 1.280 121.904 120.570 0.090 0.000 2.286 350 I HA -0.181 3.990 4.170 0.001 0.000 0.248 350 I C 2.818 179.000 176.117 0.109 0.000 1.115 350 I CA 0.932 62.273 61.300 0.069 0.000 1.392 350 I CB -0.260 37.756 38.000 0.028 0.000 1.065 350 I HN 0.154 nan 8.210 nan 0.000 0.418 351 R N 1.331 121.894 120.500 0.105 0.000 2.082 351 R HA -0.184 4.157 4.340 0.001 0.000 0.234 351 R C 2.372 178.604 176.300 -0.113 0.000 1.136 351 R CA 1.854 57.884 56.100 -0.117 0.000 0.935 351 R CB -0.579 29.541 30.300 -0.302 0.000 0.842 351 R HN 0.271 nan 8.270 nan 0.000 0.430 352 R N -0.040 120.366 120.500 -0.157 0.000 2.083 352 R HA -0.090 4.251 4.340 0.001 0.000 0.237 352 R C -0.072 176.177 176.300 -0.086 0.000 1.137 352 R CA 1.882 57.878 56.100 -0.174 0.000 0.951 352 R CB 0.058 30.274 30.300 -0.141 0.000 0.851 352 R HN 0.207 nan 8.270 nan 0.000 0.434 353 D N 0.856 121.146 120.400 -0.183 0.000 2.613 353 D HA 0.200 4.841 4.640 0.001 0.000 0.312 353 D C -2.531 173.759 176.300 -0.016 0.000 1.202 353 D CA -1.276 52.610 54.000 -0.189 0.000 0.825 353 D CB 1.476 41.835 40.800 -0.735 0.000 1.113 353 D HN 0.232 nan 8.370 nan 0.000 0.502 354 P HA 0.060 nan 4.420 nan 0.000 0.264 354 P C -2.136 175.211 177.300 0.078 0.000 1.193 354 P CA -0.764 62.354 63.100 0.030 0.000 0.763 354 P CB 1.031 32.681 31.700 -0.083 0.000 0.810 355 P HA 0.091 nan 4.420 nan 0.000 0.227 355 P C 0.201 177.558 177.300 0.095 0.000 1.161 355 P CA 1.043 64.209 63.100 0.110 0.000 0.788 355 P CB 0.347 32.107 31.700 0.100 0.000 0.822 356 L N 0.138 121.401 121.223 0.067 0.000 2.301 356 L HA 0.278 4.618 4.340 0.001 0.000 0.278 356 L C 1.346 178.249 176.870 0.055 0.000 1.022 356 L CA -0.489 54.400 54.840 0.080 0.000 0.854 356 L CB 1.120 43.233 42.059 0.091 0.000 1.226 356 L HN -0.157 nan 8.230 nan 0.000 0.429 357 L N 2.683 123.959 121.223 0.088 0.000 2.141 357 L HA 0.059 4.400 4.340 0.001 0.000 0.209 357 L C 0.674 177.574 176.870 0.050 0.000 1.094 357 L CA 1.187 56.067 54.840 0.067 0.000 0.763 357 L CB -0.124 42.006 42.059 0.118 0.000 0.908 357 L HN 0.596 nan 8.230 nan 0.000 0.437 358 M N 0.930 120.584 119.600 0.089 0.000 2.164 358 M HA 0.356 4.837 4.480 0.001 0.000 0.260 358 M C -1.358 175.010 176.300 0.113 0.000 0.974 358 M CA -0.145 55.203 55.300 0.080 0.000 1.020 358 M CB 2.565 35.252 32.600 0.146 0.000 1.903 358 M HN -0.038 nan 8.290 nan 0.000 0.469 359 L N 4.028 125.288 121.223 0.061 0.000 2.334 359 L HA 0.650 4.991 4.340 0.001 0.000 0.277 359 L C -0.239 176.743 176.870 0.186 0.000 1.075 359 L CA -0.248 54.720 54.840 0.214 0.000 0.804 359 L CB 1.171 43.416 42.059 0.311 0.000 1.174 359 L HN 0.664 nan 8.230 nan 0.000 0.438 360 M N 3.220 122.999 119.600 0.297 0.000 2.572 360 M HA 0.626 5.107 4.480 0.001 0.000 0.299 360 M C -0.884 175.358 176.300 -0.096 0.000 1.205 360 M CA -0.782 54.595 55.300 0.129 0.000 0.876 360 M CB 2.881 35.521 32.600 0.067 0.000 1.728 360 M HN 0.519 nan 8.290 nan 0.000 0.458 361 R N 0.998 121.467 120.500 -0.051 0.000 2.739 361 R HA 0.546 4.887 4.340 0.001 0.000 0.271 361 R C -1.466 174.761 176.300 -0.121 0.000 1.010 361 R CA -1.109 54.861 56.100 -0.217 0.000 0.897 361 R CB 2.077 32.206 30.300 -0.285 0.000 1.236 361 R HN 0.478 nan 8.270 nan 0.000 0.466 362 K N 0.812 121.135 120.400 -0.130 0.000 2.201 362 K HA 0.264 4.585 4.320 0.001 0.000 0.278 362 K C -0.661 175.905 176.600 -0.057 0.000 1.027 362 K CA -0.403 55.844 56.287 -0.067 0.000 0.909 362 K CB 1.212 33.682 32.500 -0.050 0.000 1.062 362 K HN 0.345 nan 8.250 nan 0.000 0.465 363 V N 6.902 126.796 119.914 -0.033 0.000 2.415 363 V HA 0.030 4.151 4.120 0.001 0.000 0.267 363 V C 0.898 176.981 176.094 -0.019 0.000 1.042 363 V CA -0.152 62.131 62.300 -0.029 0.000 1.000 363 V CB 0.758 32.574 31.823 -0.013 0.000 1.015 363 V HN 0.837 nan 8.190 nan 0.000 0.478 364 M N 3.349 122.935 119.600 -0.023 0.000 2.556 364 M HA 0.385 4.866 4.480 0.001 0.000 0.245 364 M C 0.597 176.894 176.300 -0.005 0.000 1.128 364 M CA 0.382 55.678 55.300 -0.007 0.000 1.069 364 M CB -0.376 32.224 32.600 0.001 0.000 1.469 364 M HN 0.695 nan 8.290 nan 0.000 0.494 365 A N -0.023 122.791 122.820 -0.010 0.000 2.566 365 A HA 0.508 4.829 4.320 0.001 0.000 0.297 365 A C -1.225 176.357 177.584 -0.003 0.000 1.059 365 A CA -0.969 51.065 52.037 -0.006 0.000 0.691 365 A CB 0.861 19.855 19.000 -0.010 0.000 1.282 365 A HN 0.137 nan 8.150 nan 0.000 0.401 366 D N 0.354 120.756 120.400 0.004 0.000 2.601 366 D HA 0.271 4.912 4.640 0.001 0.000 0.229 366 D C -0.291 176.015 176.300 0.010 0.000 1.140 366 D CA 1.126 55.132 54.000 0.010 0.000 0.862 366 D CB 1.062 41.870 40.800 0.015 0.000 1.192 366 D HN 0.532 nan 8.370 nan 0.000 0.480 367 V N 2.616 122.540 119.914 0.017 0.000 2.686 367 V HA 0.226 4.347 4.120 0.001 0.000 0.306 367 V C -0.542 175.575 176.094 0.040 0.000 1.065 367 V CA -0.868 61.444 62.300 0.020 0.000 0.894 367 V CB 1.915 33.744 31.823 0.010 0.000 1.004 367 V HN 0.396 nan 8.190 nan 0.000 0.424 368 K N 3.787 124.213 120.400 0.042 0.000 2.270 368 K HA 0.647 4.968 4.320 0.001 0.000 0.276 368 K C -1.205 175.438 176.600 0.072 0.000 1.023 368 K CA -0.223 56.099 56.287 0.058 0.000 0.955 368 K CB 1.486 34.012 32.500 0.043 0.000 0.975 368 K HN 0.500 nan 8.250 nan 0.000 0.471 369 V N 2.788 122.761 119.914 0.100 0.000 2.614 369 V HA 0.295 4.416 4.120 0.001 0.000 0.281 369 V C 0.345 176.525 176.094 0.144 0.000 1.031 369 V CA -0.301 62.069 62.300 0.116 0.000 0.899 369 V CB 0.853 32.745 31.823 0.115 0.000 1.037 369 V HN 1.155 nan 8.190 nan 0.000 0.456 370 G N 4.770 113.631 108.800 0.103 0.000 2.564 370 G HA2 -0.187 3.774 3.960 0.001 0.000 0.273 370 G HA3 -0.187 3.774 3.960 0.001 0.000 0.273 370 G C 0.205 175.104 174.900 -0.002 0.000 1.242 370 G CA 0.127 45.261 45.100 0.057 0.000 0.951 370 G HN 1.782 nan 8.290 nan 0.000 0.564 371 S N -0.252 115.378 115.700 -0.116 0.000 2.562 371 S HA 0.736 5.206 4.470 0.001 0.000 0.275 371 S C -0.536 173.876 174.600 -0.314 0.000 1.281 371 S CA 0.549 58.634 58.200 -0.191 0.000 1.045 371 S CB 1.532 64.579 63.200 -0.256 0.000 0.962 371 S HN 1.965 nan 8.310 nan 0.000 0.503 372 Y N -1.610 118.704 120.300 0.022 0.000 2.901 372 Y HA 0.060 4.611 4.550 0.001 0.000 0.387 372 Y C -1.069 174.844 175.900 0.021 0.000 0.942 372 Y CA -0.941 57.173 58.100 0.024 0.000 1.847 372 Y CB -0.744 37.734 38.460 0.030 0.000 1.808 372 Y HN 0.750 nan 8.280 nan 0.000 0.650 373 V N 2.439 122.481 119.914 0.213 0.000 2.567 373 V HA 0.528 4.649 4.120 0.001 0.000 0.298 373 V C -1.003 175.134 176.094 0.071 0.000 1.047 373 V CA -0.949 61.417 62.300 0.110 0.000 0.880 373 V CB 2.040 33.911 31.823 0.079 0.000 1.009 373 V HN 0.559 nan 8.190 nan 0.000 0.429 374 V N 8.384 128.328 119.914 0.050 0.000 2.368 374 V HA 0.326 4.447 4.120 0.001 0.000 0.266 374 V C -1.830 174.273 176.094 0.015 0.000 1.045 374 V CA -1.519 60.793 62.300 0.020 0.000 0.899 374 V CB 1.548 33.379 31.823 0.013 0.000 1.006 374 V HN 0.691 nan 8.190 nan 0.000 0.470 375 P HA 0.168 nan 4.420 nan 0.000 0.272 375 P C -0.558 176.746 177.300 0.006 0.000 1.223 375 P CA -0.657 62.450 63.100 0.011 0.000 0.784 375 P CB 0.731 32.437 31.700 0.010 0.000 0.923 376 K N 1.262 121.666 120.400 0.006 0.000 2.469 376 K HA 0.250 4.571 4.320 0.001 0.000 0.274 376 K C 1.110 177.712 176.600 0.004 0.000 0.983 376 K CA 0.859 57.148 56.287 0.003 0.000 0.974 376 K CB -0.952 31.550 32.500 0.004 0.000 0.913 376 K HN 0.784 nan 8.250 nan 0.000 0.493 377 G N 1.052 109.854 108.800 0.003 0.000 2.199 377 G HA2 -0.255 3.706 3.960 0.001 0.000 0.254 377 G HA3 -0.255 3.706 3.960 0.001 0.000 0.254 377 G C -0.465 174.439 174.900 0.007 0.000 0.982 377 G CA 0.276 45.379 45.100 0.005 0.000 0.632 377 G HN 0.768 nan 8.290 nan 0.000 0.529 378 D N 0.176 120.578 120.400 0.004 0.000 2.341 378 D HA 0.496 5.137 4.640 0.001 0.000 0.245 378 D C 1.034 177.339 176.300 0.007 0.000 1.106 378 D CA -0.224 53.779 54.000 0.005 0.000 0.905 378 D CB 0.686 41.484 40.800 -0.003 0.000 1.202 378 D HN 0.272 nan 8.370 nan 0.000 0.426 379 I N 2.803 123.385 120.570 0.021 0.000 2.363 379 I HA 0.147 4.318 4.170 0.001 0.000 0.292 379 I C 0.359 176.485 176.117 0.014 0.000 1.075 379 I CA -0.278 61.039 61.300 0.028 0.000 1.333 379 I CB 0.382 38.432 38.000 0.083 0.000 1.415 379 I HN 0.197 nan 8.210 nan 0.000 0.502 380 I N 6.622 127.210 120.570 0.029 0.000 2.396 380 I HA 0.618 4.789 4.170 0.001 0.000 0.292 380 I C -0.048 176.116 176.117 0.078 0.000 0.999 380 I CA 0.030 61.358 61.300 0.047 0.000 1.310 380 I CB 1.007 39.071 38.000 0.107 0.000 1.404 380 I HN 0.671 nan 8.210 nan 0.000 0.496 381 A N 6.458 129.211 122.820 -0.111 0.000 2.475 381 A HA 0.678 4.999 4.320 0.001 0.000 0.301 381 A C -1.586 175.585 177.584 -0.688 0.000 1.059 381 A CA -0.503 51.343 52.037 -0.319 0.000 0.710 381 A CB 1.526 20.424 19.000 -0.170 0.000 1.288 381 A HN 0.776 nan 8.150 nan 0.000 0.408 382 C N 1.180 119.806 119.300 -1.124 0.000 2.441 382 C HA 0.821 5.282 4.460 0.001 0.000 0.318 382 C C 0.103 174.799 174.990 -0.489 0.000 1.222 382 C CA -0.197 58.261 59.018 -0.934 0.000 1.474 382 C CB 0.765 27.527 27.740 -1.630 0.000 2.125 382 C HN 1.011 nan 8.230 nan 0.000 0.479 383 S N 5.957 121.502 115.700 -0.258 0.000 2.566 383 S HA 0.482 4.953 4.470 0.001 0.000 0.324 383 S C -1.741 172.763 174.600 -0.161 0.000 1.081 383 S CA -1.131 56.984 58.200 -0.141 0.000 1.105 383 S CB 1.351 64.517 63.200 -0.057 0.000 0.981 383 S HN 0.696 nan 8.310 nan 0.000 0.464 384 P HA -0.129 nan 4.420 nan 0.000 0.216 384 P C 1.586 178.556 177.300 -0.550 0.000 1.153 384 P CA 0.577 63.320 63.100 -0.596 0.000 0.858 384 P CB 0.102 31.481 31.700 -0.534 0.000 0.789 385 L N -1.161 119.930 121.223 -0.219 0.000 2.042 385 L HA -0.170 4.171 4.340 0.001 0.000 0.210 385 L C 2.178 179.072 176.870 0.038 0.000 1.076 385 L CA 1.866 56.672 54.840 -0.058 0.000 0.749 385 L CB -1.419 40.598 42.059 -0.069 0.000 0.893 385 L HN -0.104 nan 8.230 nan 0.000 0.432 386 L N -1.749 119.478 121.223 0.007 0.000 2.068 386 L HA -0.058 4.283 4.340 0.001 0.000 0.204 386 L C 2.467 179.445 176.870 0.179 0.000 1.076 386 L CA 1.694 56.579 54.840 0.075 0.000 0.753 386 L CB -0.562 41.536 42.059 0.066 0.000 0.910 386 L HN 0.207 nan 8.230 nan 0.000 0.439 387 S N -1.132 114.672 115.700 0.174 0.000 2.368 387 S HA -0.206 4.265 4.470 0.001 0.000 0.225 387 S C 1.712 176.590 174.600 0.465 0.000 1.030 387 S CA 1.388 59.783 58.200 0.326 0.000 0.999 387 S CB -0.678 62.791 63.200 0.450 0.000 0.844 387 S HN 0.634 nan 8.310 nan 0.000 0.459 388 H N -1.048 118.137 119.070 0.193 0.000 2.563 388 H HA 0.039 4.596 4.556 0.001 0.000 0.272 388 H C 0.764 176.010 175.328 -0.136 0.000 1.005 388 H CA 0.613 56.620 56.048 -0.067 0.000 1.171 388 H CB 0.134 29.722 29.762 -0.290 0.000 1.351 388 H HN 0.446 nan 8.280 nan 0.000 0.602 389 H N -0.812 118.393 119.070 0.224 0.000 2.674 389 H HA 0.077 4.634 4.556 0.001 0.000 0.274 389 H C -0.298 175.126 175.328 0.161 0.000 1.121 389 H CA -0.416 55.726 56.048 0.157 0.000 1.132 389 H CB 0.314 30.118 29.762 0.070 0.000 1.606 389 H HN 0.177 nan 8.280 nan 0.000 0.558 390 D N 0.742 121.313 120.400 0.285 0.000 2.450 390 D HA -0.052 4.589 4.640 0.001 0.000 0.247 390 D C 1.022 177.410 176.300 0.146 0.000 1.162 390 D CA 0.459 54.565 54.000 0.178 0.000 0.879 390 D CB 0.890 41.767 40.800 0.128 0.000 1.163 390 D HN 0.329 nan 8.370 nan 0.000 0.472 391 E N 1.962 122.219 120.200 0.096 0.000 2.358 391 E HA -0.106 4.245 4.350 0.001 0.000 0.195 391 E C 1.304 177.918 176.600 0.023 0.000 1.010 391 E CA 0.226 56.668 56.400 0.070 0.000 0.856 391 E CB 0.251 29.986 29.700 0.059 0.000 0.795 391 E HN 0.642 nan 8.360 nan 0.000 0.504 392 E N 0.242 120.443 120.200 0.003 0.000 2.072 392 E HA -0.161 4.190 4.350 0.001 0.000 0.190 392 E C 1.859 178.384 176.600 -0.124 0.000 0.982 392 E CA 1.011 57.391 56.400 -0.033 0.000 0.803 392 E CB 0.012 29.712 29.700 0.001 0.000 0.755 392 E HN 0.224 nan 8.360 nan 0.000 0.453 393 A N 0.067 122.759 122.820 -0.213 0.000 1.930 393 A HA 0.033 4.353 4.320 0.001 0.000 0.215 393 A C 0.441 177.529 177.584 -0.826 0.000 1.176 393 A CA 0.604 52.309 52.037 -0.552 0.000 0.632 393 A CB 0.072 18.680 19.000 -0.653 0.000 0.819 393 A HN 0.251 nan 8.150 nan 0.000 0.445 394 F N -0.149 119.781 119.950 -0.033 0.000 2.809 394 F HA 0.365 4.893 4.527 0.001 0.000 0.369 394 F C -2.794 172.976 175.800 -0.051 0.000 1.225 394 F CA -3.135 54.829 58.000 -0.060 0.000 1.201 394 F CB 0.928 39.874 39.000 -0.091 0.000 1.527 394 F HN -0.095 nan 8.300 nan 0.000 0.565 395 P HA -0.066 nan 4.420 nan 0.000 0.265 395 P C 0.061 177.391 177.300 0.049 0.000 1.187 395 P CA 0.555 63.682 63.100 0.045 0.000 0.766 395 P CB 0.431 32.140 31.700 0.015 0.000 0.820 396 E N 1.979 122.204 120.200 0.041 0.000 2.273 396 E HA -0.197 4.154 4.350 0.001 0.000 0.177 396 E C -1.290 175.318 176.600 0.014 0.000 1.511 396 E CA -0.213 56.206 56.400 0.031 0.000 0.675 396 E CB -0.343 29.369 29.700 0.019 0.000 1.094 396 E HN 0.460 nan 8.360 nan 0.000 0.348 397 P HA -0.138 nan 4.420 nan 0.000 0.223 397 P C 0.922 178.147 177.300 -0.124 0.000 1.151 397 P CA 0.681 63.721 63.100 -0.101 0.000 0.787 397 P CB 0.313 31.921 31.700 -0.155 0.000 0.788 398 R N -0.227 120.282 120.500 0.015 0.000 2.323 398 R HA 0.098 4.439 4.340 0.001 0.000 0.198 398 R C 1.280 177.581 176.300 0.002 0.000 0.988 398 R CA -0.017 56.109 56.100 0.043 0.000 1.041 398 R CB -0.815 29.539 30.300 0.090 0.000 0.926 398 R HN 0.262 nan 8.270 nan 0.000 0.476 399 R N 0.219 120.708 120.500 -0.018 0.000 2.265 399 R HA 0.021 4.362 4.340 0.001 0.000 0.314 399 R C -0.965 175.298 176.300 -0.063 0.000 1.053 399 R CA -0.492 55.596 56.100 -0.020 0.000 0.931 399 R CB 0.436 30.731 30.300 -0.009 0.000 1.024 399 R HN -0.045 nan 8.270 nan 0.000 0.457 400 W N 5.747 126.868 121.300 -0.297 0.000 2.437 400 W HA 0.135 4.796 4.660 0.001 0.000 0.312 400 W C -0.933 175.378 176.519 -0.347 0.000 1.242 400 W CA -0.135 56.938 57.345 -0.453 0.000 1.340 400 W CB 0.595 29.517 29.460 -0.896 0.000 1.327 400 W HN 0.488 nan 8.180 nan 0.000 0.476 401 D N 8.419 128.360 120.400 -0.765 0.000 2.386 401 D HA 0.270 4.911 4.640 0.001 0.000 0.247 401 D C -1.664 174.112 176.300 -0.874 0.000 1.336 401 D CA -2.103 51.452 54.000 -0.743 0.000 0.976 401 D CB 2.043 42.665 40.800 -0.296 0.000 1.257 401 D HN 0.116 nan 8.370 nan 0.000 0.570 402 P HA -0.061 nan 4.420 nan 0.000 0.230 402 P C 0.637 177.664 177.300 -0.455 0.000 1.158 402 P CA 0.633 63.196 63.100 -0.894 0.000 0.769 402 P CB 0.472 31.513 31.700 -1.098 0.000 0.807 403 E N -0.305 119.733 120.200 -0.269 0.000 2.489 403 E HA -0.020 4.331 4.350 0.001 0.000 0.193 403 E C 1.053 177.592 176.600 -0.102 0.000 1.057 403 E CA -0.197 56.153 56.400 -0.083 0.000 0.866 403 E CB -0.061 29.674 29.700 0.058 0.000 0.916 403 E HN 0.379 nan 8.360 nan 0.000 0.500 404 R N 0.331 120.735 120.500 -0.161 0.000 2.637 404 R HA 0.264 4.605 4.340 0.001 0.000 0.269 404 R C -0.516 175.734 176.300 -0.083 0.000 1.089 404 R CA -0.226 55.814 56.100 -0.100 0.000 1.177 404 R CB 0.698 30.946 30.300 -0.085 0.000 1.091 404 R HN -0.275 nan 8.270 nan 0.000 0.540 405 D N 0.319 120.697 120.400 -0.037 0.000 2.819 405 D HA 0.076 4.717 4.640 0.001 0.000 0.232 405 D C -0.887 175.399 176.300 -0.024 0.000 1.160 405 D CA -0.609 53.372 54.000 -0.033 0.000 0.858 405 D CB 1.864 42.635 40.800 -0.049 0.000 1.610 405 D HN 0.688 nan 8.370 nan 0.000 0.481 406 E N 1.121 121.313 120.200 -0.013 0.000 2.529 406 E HA -0.023 4.328 4.350 0.001 0.000 0.259 406 E C 0.166 176.608 176.600 -0.263 0.000 0.966 406 E CA 0.095 56.342 56.400 -0.255 0.000 0.937 406 E CB 0.971 30.601 29.700 -0.117 0.000 0.923 406 E HN 0.125 nan 8.360 nan 0.000 0.468 407 K N 2.209 122.383 120.400 -0.377 0.000 2.393 407 K HA 0.127 4.448 4.320 0.001 0.000 0.193 407 K C -0.112 176.365 176.600 -0.205 0.000 1.026 407 K CA 0.092 56.243 56.287 -0.226 0.000 1.064 407 K CB 0.633 33.019 32.500 -0.191 0.000 0.833 407 K HN 0.376 nan 8.250 nan 0.000 0.521 408 V N 1.363 121.107 119.914 -0.284 0.000 2.604 408 V HA 0.197 4.318 4.120 0.001 0.000 0.305 408 V C -0.028 175.964 176.094 -0.171 0.000 1.043 408 V CA -1.107 61.042 62.300 -0.252 0.000 0.888 408 V CB 2.405 33.970 31.823 -0.430 0.000 0.995 408 V HN 0.077 nan 8.190 nan 0.000 0.429 409 E N 2.275 122.420 120.200 -0.092 0.000 2.344 409 E HA 0.375 4.726 4.350 0.001 0.000 0.270 409 E C 1.177 177.795 176.600 0.031 0.000 1.021 409 E CA 0.931 57.322 56.400 -0.014 0.000 0.887 409 E CB 0.744 30.454 29.700 0.017 0.000 0.997 409 E HN 1.107 nan 8.360 nan 0.000 0.429 410 G N 3.197 112.056 108.800 0.099 0.000 2.168 410 G HA2 -0.394 3.567 3.960 0.001 0.000 0.257 410 G HA3 -0.394 3.567 3.960 0.001 0.000 0.257 410 G C 0.906 175.984 174.900 0.296 0.000 0.997 410 G CA 0.669 45.885 45.100 0.193 0.000 0.708 410 G HN 0.697 nan 8.290 nan 0.000 0.520 411 A N -0.496 122.434 122.820 0.182 0.000 1.940 411 A HA 0.292 4.612 4.320 0.001 0.000 0.219 411 A C 1.143 179.054 177.584 0.545 0.000 1.176 411 A CA 1.398 53.589 52.037 0.256 0.000 0.631 411 A CB -0.168 18.787 19.000 -0.076 0.000 0.814 411 A HN 1.371 nan 8.150 nan 0.000 0.446 412 F N 1.289 121.443 119.950 0.340 0.000 2.471 412 F HA 0.415 4.943 4.527 0.001 0.000 0.365 412 F C 0.589 176.538 175.800 0.248 0.000 1.095 412 F CA -0.460 57.669 58.000 0.215 0.000 1.174 412 F CB 0.545 39.596 39.000 0.084 0.000 1.105 412 F HN 0.268 nan 8.300 nan 0.000 0.535 413 I N 3.565 124.013 120.570 -0.202 0.000 3.426 413 I HA 0.398 4.569 4.170 0.001 0.000 0.329 413 I C 1.195 177.081 176.117 -0.385 0.000 1.553 413 I CA -0.167 60.987 61.300 -0.244 0.000 1.019 413 I CB 0.206 38.134 38.000 -0.120 0.000 1.376 413 I HN 0.648 nan 8.210 nan 0.000 0.525 414 G N 1.414 109.632 108.800 -0.969 0.000 2.443 414 G HA2 -0.114 3.847 3.960 0.001 0.000 0.219 414 G HA3 -0.114 3.847 3.960 0.001 0.000 0.219 414 G C 0.691 175.313 174.900 -0.465 0.000 1.131 414 G CA 0.750 45.452 45.100 -0.664 0.000 0.775 414 G HN 0.472 nan 8.290 nan 0.000 0.547 415 F N 1.140 121.074 119.950 -0.027 0.000 2.750 415 F HA 0.454 4.982 4.527 0.001 0.000 0.297 415 F C 1.616 177.445 175.800 0.047 0.000 1.138 415 F CA -0.352 57.701 58.000 0.087 0.000 1.346 415 F CB 0.252 39.350 39.000 0.163 0.000 0.965 415 F HN 0.333 nan 8.300 nan 0.000 0.514 416 G N 1.252 110.105 108.800 0.088 0.000 2.575 416 G HA2 0.156 4.116 3.960 0.001 0.000 0.267 416 G HA3 0.156 4.116 3.960 0.001 0.000 0.267 416 G C -0.326 174.400 174.900 -0.290 0.000 1.264 416 G CA -0.152 44.943 45.100 -0.009 0.000 0.935 416 G HN 1.186 nan 8.290 nan 0.000 0.568 417 A N -2.829 119.765 122.820 -0.376 0.000 2.522 417 A HA 0.954 5.275 4.320 0.001 0.000 0.294 417 A C 1.139 178.672 177.584 -0.085 0.000 1.001 417 A CA 1.190 52.997 52.037 -0.383 0.000 0.642 417 A CB 0.324 18.851 19.000 -0.787 0.000 1.326 417 A HN 3.290 nan 8.150 nan 0.000 0.435 418 G N -0.995 107.812 108.800 0.012 0.000 2.527 418 G HA2 0.031 3.992 3.960 0.001 0.000 0.268 418 G HA3 0.031 3.992 3.960 0.001 0.000 0.268 418 G C 1.547 176.491 174.900 0.075 0.000 1.175 418 G CA 2.088 47.247 45.100 0.099 0.000 0.962 418 G HN 2.418 nan 8.290 nan 0.000 0.560 419 V N -1.101 118.848 119.914 0.059 0.000 2.515 419 V HA 0.041 4.162 4.120 0.001 0.000 0.250 419 V C 1.879 177.855 176.094 -0.197 0.000 1.058 419 V CA 2.703 64.944 62.300 -0.097 0.000 1.064 419 V CB -0.543 31.172 31.823 -0.181 0.000 0.675 419 V HN 0.774 nan 8.190 nan 0.000 0.461 420 H N 1.357 120.512 119.070 0.142 0.000 2.505 420 H HA 0.264 4.821 4.556 0.001 0.000 0.289 420 H C 0.569 176.023 175.328 0.210 0.000 1.052 420 H CA -0.067 56.097 56.048 0.193 0.000 1.156 420 H CB -0.031 29.875 29.762 0.241 0.000 1.507 420 H HN 0.691 nan 8.280 nan 0.000 0.548 421 K N 0.607 121.135 120.400 0.214 0.000 2.550 421 K HA -0.028 4.293 4.320 0.001 0.000 0.280 421 K C 0.212 176.928 176.600 0.194 0.000 0.987 421 K CA -0.179 56.209 56.287 0.169 0.000 1.048 421 K CB 0.484 33.035 32.500 0.085 0.000 0.879 421 K HN 0.030 nan 8.250 nan 0.000 0.491 422 C N 5.193 124.633 119.300 0.234 0.000 2.465 422 C HA 0.003 4.464 4.460 0.001 0.000 0.402 422 C C 1.700 176.780 174.990 0.149 0.000 1.448 422 C CA -0.274 58.887 59.018 0.237 0.000 1.589 422 C CB -1.449 26.484 27.740 0.322 0.000 2.535 422 C HN 0.997 nan 8.230 nan 0.000 0.600 423 I N 3.256 123.921 120.570 0.159 0.000 3.956 423 I HA 0.357 4.528 4.170 0.001 0.000 0.333 423 I C 1.414 177.616 176.117 0.142 0.000 1.302 423 I CA 0.908 62.282 61.300 0.124 0.000 1.122 423 I CB -0.222 37.850 38.000 0.120 0.000 1.013 423 I HN 0.650 nan 8.210 nan 0.000 0.405 424 G N 0.633 109.535 108.800 0.170 0.000 3.324 424 G HA2 0.034 3.994 3.960 0.001 0.000 0.251 424 G HA3 0.034 3.994 3.960 0.001 0.000 0.251 424 G C 1.192 176.221 174.900 0.215 0.000 1.072 424 G CA 0.038 45.273 45.100 0.225 0.000 0.787 424 G HN 0.413 nan 8.290 nan 0.000 0.537 425 Q N 0.408 120.241 119.800 0.055 0.000 2.045 425 Q HA -0.202 4.139 4.340 0.001 0.000 0.206 425 Q C 2.323 178.263 176.000 -0.100 0.000 0.991 425 Q CA 1.855 57.517 55.803 -0.234 0.000 0.851 425 Q CB -0.024 28.363 28.738 -0.586 0.000 0.911 425 Q HN 0.267 nan 8.270 nan 0.000 0.418 426 K N -0.250 120.178 120.400 0.047 0.000 2.057 426 K HA -0.128 4.193 4.320 0.001 0.000 0.207 426 K C 1.666 178.442 176.600 0.294 0.000 1.049 426 K CA 1.370 57.759 56.287 0.171 0.000 0.931 426 K CB -0.508 32.138 32.500 0.244 0.000 0.714 426 K HN 0.279 nan 8.250 nan 0.000 0.440 427 F N 0.247 120.329 119.950 0.221 0.000 2.186 427 F HA -0.004 4.524 4.527 0.002 0.000 0.299 427 F C 1.852 177.631 175.800 -0.034 0.000 1.090 427 F CA 1.735 59.733 58.000 -0.002 0.000 1.307 427 F CB -0.709 38.318 39.000 0.043 0.000 1.019 427 F HN 0.074 nan 8.300 nan 0.000 0.489 428 G N 0.855 109.664 108.800 0.016 0.000 2.433 428 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 428 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 428 G C 1.770 176.615 174.900 -0.091 0.000 1.186 428 G CA 1.153 46.220 45.100 -0.054 0.000 0.779 428 G HN 0.425 nan 8.290 nan 0.000 0.543 429 L N -0.148 121.074 121.223 -0.002 0.000 2.141 429 L HA 0.003 4.344 4.340 0.001 0.000 0.209 429 L C 2.675 179.511 176.870 -0.057 0.000 1.094 429 L CA 0.312 55.165 54.840 0.022 0.000 0.763 429 L CB -0.432 41.667 42.059 0.067 0.000 0.908 429 L HN 0.230 nan 8.230 nan 0.000 0.437 430 L N -0.045 121.105 121.223 -0.121 0.000 2.043 430 L HA -0.287 4.054 4.340 0.001 0.000 0.212 430 L C 2.476 179.201 176.870 -0.241 0.000 1.075 430 L CA 1.913 56.645 54.840 -0.180 0.000 0.752 430 L CB -0.540 41.359 42.059 -0.265 0.000 0.891 430 L HN 0.266 nan 8.230 nan 0.000 0.432 431 Q N -1.432 118.142 119.800 -0.376 0.000 2.049 431 Q HA -0.133 4.208 4.340 0.001 0.000 0.198 431 Q C 2.219 178.114 176.000 -0.175 0.000 0.971 431 Q CA 1.675 57.276 55.803 -0.337 0.000 0.833 431 Q CB -0.185 28.275 28.738 -0.462 0.000 0.896 431 Q HN 0.463 nan 8.270 nan 0.000 0.434 432 V N 1.491 121.333 119.914 -0.121 0.000 2.250 432 V HA -0.354 3.766 4.120 0.001 0.000 0.250 432 V C 1.973 178.074 176.094 0.012 0.000 1.060 432 V CA 2.221 64.502 62.300 -0.032 0.000 1.030 432 V CB -0.398 31.439 31.823 0.024 0.000 0.643 432 V HN 0.326 nan 8.190 nan 0.000 0.445 433 K N -0.553 119.858 120.400 0.017 0.000 2.103 433 K HA -0.096 4.225 4.320 0.001 0.000 0.204 433 K C 2.135 178.779 176.600 0.073 0.000 1.052 433 K CA 1.671 57.999 56.287 0.069 0.000 0.945 433 K CB -0.504 32.034 32.500 0.063 0.000 0.722 433 K HN 0.471 nan 8.250 nan 0.000 0.443 434 T N 1.542 116.102 114.554 0.011 0.000 2.788 434 T HA -0.092 4.259 4.350 0.001 0.000 0.268 434 T C 1.860 176.580 174.700 0.034 0.000 1.044 434 T CA 1.127 63.235 62.100 0.013 0.000 1.139 434 T CB -0.190 68.654 68.868 -0.041 0.000 0.867 434 T HN 0.120 nan 8.240 nan 0.000 0.454 435 I N 0.519 121.092 120.570 0.005 0.000 2.233 435 I HA -0.089 4.082 4.170 0.001 0.000 0.243 435 I C 2.265 178.444 176.117 0.103 0.000 1.093 435 I CA 1.035 62.339 61.300 0.008 0.000 1.380 435 I CB -0.385 37.579 38.000 -0.060 0.000 1.067 435 I HN 0.176 nan 8.210 nan 0.000 0.413 436 L N 0.591 121.908 121.223 0.157 0.000 2.012 436 L HA -0.245 4.095 4.340 0.001 0.000 0.210 436 L C 2.886 179.985 176.870 0.381 0.000 1.073 436 L CA 1.515 56.546 54.840 0.318 0.000 0.748 436 L CB -0.828 41.422 42.059 0.318 0.000 0.891 436 L HN 0.263 nan 8.230 nan 0.000 0.431 437 A N -0.264 122.726 122.820 0.284 0.000 1.851 437 A HA -0.228 4.093 4.320 0.001 0.000 0.216 437 A C 2.372 180.125 177.584 0.283 0.000 1.195 437 A CA 2.546 54.764 52.037 0.302 0.000 0.622 437 A CB -1.107 18.064 19.000 0.285 0.000 0.831 437 A HN 0.397 nan 8.150 nan 0.000 0.444 438 T N 0.285 114.966 114.554 0.211 0.000 2.746 438 T HA -0.023 4.328 4.350 0.001 0.000 0.267 438 T C 2.179 177.028 174.700 0.248 0.000 1.039 438 T CA 1.690 63.902 62.100 0.187 0.000 1.142 438 T CB -0.465 68.470 68.868 0.111 0.000 0.866 438 T HN 0.609 nan 8.240 nan 0.000 0.444 439 A N 0.867 123.840 122.820 0.256 0.000 1.855 439 A HA 0.069 4.390 4.320 0.001 0.000 0.215 439 A C 1.831 179.614 177.584 0.333 0.000 1.191 439 A CA 1.169 53.400 52.037 0.322 0.000 0.613 439 A CB -0.863 18.249 19.000 0.187 0.000 0.829 439 A HN 0.474 nan 8.150 nan 0.000 0.442 440 F N -0.355 119.827 119.950 0.386 0.000 2.780 440 F HA 0.120 4.648 4.527 0.001 0.000 0.299 440 F C 2.218 178.139 175.800 0.202 0.000 1.146 440 F CA 0.750 58.938 58.000 0.312 0.000 1.428 440 F CB -0.108 39.063 39.000 0.284 0.000 1.115 440 F HN 0.213 nan 8.300 nan 0.000 0.583 441 R N -0.186 120.516 120.500 0.337 0.000 2.066 441 R HA -0.098 4.243 4.340 0.001 0.000 0.232 441 R C 1.577 177.955 176.300 0.131 0.000 1.131 441 R CA 1.909 58.135 56.100 0.209 0.000 0.955 441 R CB -0.269 30.143 30.300 0.187 0.000 0.851 441 R HN 0.111 nan 8.270 nan 0.000 0.432 442 S N -1.222 114.553 115.700 0.125 0.000 2.524 442 S HA 0.192 4.662 4.470 0.001 0.000 0.215 442 S C -0.820 173.572 174.600 -0.346 0.000 0.986 442 S CA -0.110 58.029 58.200 -0.103 0.000 0.911 442 S CB 0.339 63.449 63.200 -0.150 0.000 0.805 442 S HN 0.244 nan 8.310 nan 0.000 0.501 443 Y N 0.569 120.839 120.300 -0.050 0.000 2.597 443 Y HA 0.475 5.026 4.550 0.001 0.000 0.340 443 Y C -0.489 175.151 175.900 -0.435 0.000 1.097 443 Y CA -1.384 56.545 58.100 -0.284 0.000 1.037 443 Y CB 1.226 39.373 38.460 -0.521 0.000 1.305 443 Y HN -0.091 nan 8.280 nan 0.000 0.463 444 D N 0.668 120.869 120.400 -0.331 0.000 2.384 444 D HA 0.565 5.206 4.640 0.001 0.000 0.250 444 D C -1.247 174.569 176.300 -0.806 0.000 1.029 444 D CA -0.066 53.736 54.000 -0.331 0.000 0.990 444 D CB 1.759 42.519 40.800 -0.067 0.000 1.175 444 D HN 0.248 nan 8.370 nan 0.000 0.532 445 F N -0.165 119.843 119.950 0.095 0.000 2.613 445 F HA 0.334 4.862 4.527 0.002 0.000 0.314 445 F C 0.028 175.837 175.800 0.015 0.000 1.075 445 F CA -0.878 57.124 58.000 0.002 0.000 0.945 445 F CB 1.899 40.864 39.000 -0.059 0.000 1.310 445 F HN -0.019 nan 8.300 nan 0.000 0.467 446 Q N 2.219 122.118 119.800 0.166 0.000 2.292 446 Q HA 0.488 4.829 4.340 0.001 0.000 0.270 446 Q C -1.738 174.288 176.000 0.044 0.000 1.024 446 Q CA -1.043 54.803 55.803 0.072 0.000 0.768 446 Q CB 2.290 31.035 28.738 0.012 0.000 1.250 446 Q HN 0.717 nan 8.270 nan 0.000 0.447 447 L N 4.385 125.627 121.223 0.032 0.000 2.439 447 L HA 0.174 4.515 4.340 0.001 0.000 0.269 447 L C -0.282 176.583 176.870 -0.009 0.000 1.179 447 L CA 0.730 55.576 54.840 0.010 0.000 0.828 447 L CB 0.762 42.840 42.059 0.033 0.000 1.106 447 L HN 0.849 nan 8.230 nan 0.000 0.467 448 L N 4.911 126.123 121.223 -0.018 0.000 2.928 448 L HA 0.327 4.668 4.340 0.001 0.000 0.246 448 L C -0.023 176.838 176.870 -0.014 0.000 1.239 448 L CA -0.258 54.569 54.840 -0.023 0.000 1.035 448 L CB -0.490 41.550 42.059 -0.033 0.000 1.360 448 L HN 0.683 nan 8.230 nan 0.000 0.529 449 R N -3.465 117.034 120.500 -0.001 0.000 2.781 449 R HA 0.395 4.736 4.340 0.001 0.000 0.269 449 R C -0.367 175.952 176.300 0.032 0.000 1.025 449 R CA -0.977 55.130 56.100 0.012 0.000 0.914 449 R CB 0.701 31.009 30.300 0.013 0.000 1.236 449 R HN -0.294 nan 8.270 nan 0.000 0.465 450 D N 0.632 121.059 120.400 0.045 0.000 2.097 450 D HA -0.073 4.568 4.640 0.001 0.000 0.195 450 D C -0.146 176.263 176.300 0.181 0.000 0.989 450 D CA 1.641 55.684 54.000 0.073 0.000 0.827 450 D CB 0.273 41.112 40.800 0.066 0.000 0.966 450 D HN 0.368 nan 8.370 nan 0.000 0.456 451 E N 0.265 120.565 120.200 0.167 0.000 2.207 451 E HA 0.291 4.642 4.350 0.001 0.000 0.270 451 E C -0.131 176.562 176.600 0.156 0.000 0.927 451 E CA -0.971 55.549 56.400 0.200 0.000 0.799 451 E CB 2.249 32.015 29.700 0.109 0.000 1.172 451 E HN -0.231 nan 8.360 nan 0.000 0.404 452 V N 3.780 123.768 119.914 0.123 0.000 2.790 452 V HA -0.094 4.027 4.120 0.001 0.000 0.304 452 V C -1.898 174.259 176.094 0.104 0.000 1.142 452 V CA -0.251 62.105 62.300 0.094 0.000 1.282 452 V CB -0.389 31.467 31.823 0.055 0.000 0.877 452 V HN 0.542 nan 8.190 nan 0.000 0.504 453 P HA 0.013 nan 4.420 nan 0.000 0.267 453 P C -0.375 177.000 177.300 0.125 0.000 1.201 453 P CA 0.086 63.194 63.100 0.014 0.000 0.775 453 P CB 0.301 31.898 31.700 -0.171 0.000 0.854 454 D N 3.090 123.518 120.400 0.047 0.000 2.345 454 D HA 0.111 4.752 4.640 0.001 0.000 0.247 454 D C -1.968 174.341 176.300 0.014 0.000 1.108 454 D CA -0.902 53.125 54.000 0.045 0.000 0.894 454 D CB 0.137 40.924 40.800 -0.021 0.000 1.203 454 D HN 0.237 nan 8.370 nan 0.000 0.430 455 P HA -0.009 nan 4.420 nan 0.000 0.269 455 P C -0.352 176.676 177.300 -0.453 0.000 1.215 455 P CA -0.066 62.916 63.100 -0.197 0.000 0.780 455 P CB 0.787 32.178 31.700 -0.515 0.000 0.898 456 D N 1.671 121.844 120.400 -0.379 0.000 2.460 456 D HA 0.118 4.759 4.640 0.001 0.000 0.232 456 D C -0.113 176.024 176.300 -0.271 0.000 1.079 456 D CA -0.550 53.251 54.000 -0.332 0.000 0.864 456 D CB 0.107 40.787 40.800 -0.200 0.000 1.048 456 D HN 0.171 nan 8.370 nan 0.000 0.523 457 Y N 1.618 121.817 120.300 -0.169 0.000 2.529 457 Y HA 0.024 4.575 4.550 0.001 0.000 0.290 457 Y C 1.550 177.509 175.900 0.098 0.000 1.177 457 Y CA 0.243 58.317 58.100 -0.044 0.000 1.305 457 Y CB 0.078 38.501 38.460 -0.061 0.000 1.047 457 Y HN 0.531 nan 8.280 nan 0.000 0.522 458 H N -0.933 118.214 119.070 0.128 0.000 2.547 458 H HA 0.109 4.666 4.556 0.001 0.000 0.266 458 H C 0.811 176.177 175.328 0.064 0.000 0.988 458 H CA 0.476 56.577 56.048 0.088 0.000 1.147 458 H CB -0.481 29.313 29.762 0.054 0.000 1.365 458 H HN 0.179 nan 8.280 nan 0.000 0.589 459 T N -3.816 110.837 114.554 0.165 0.000 2.945 459 T HA 0.232 4.583 4.350 0.001 0.000 0.286 459 T C 1.598 176.356 174.700 0.096 0.000 1.025 459 T CA -0.829 61.328 62.100 0.095 0.000 1.039 459 T CB 2.112 71.004 68.868 0.039 0.000 1.068 459 T HN 0.043 nan 8.240 nan 0.000 0.497 460 M N 1.025 120.668 119.600 0.072 0.000 2.082 460 M HA -0.031 4.449 4.480 0.001 0.000 0.258 460 M C -0.019 176.343 176.300 0.102 0.000 1.071 460 M CA 1.802 57.158 55.300 0.094 0.000 1.103 460 M CB -0.085 32.596 32.600 0.136 0.000 1.307 460 M HN 0.527 nan 8.290 nan 0.000 0.409 461 V N 1.738 121.681 119.914 0.049 0.000 2.394 461 V HA 0.254 4.375 4.120 0.001 0.000 0.282 461 V C -0.282 175.840 176.094 0.047 0.000 1.031 461 V CA -0.826 61.499 62.300 0.042 0.000 0.881 461 V CB 1.233 33.040 31.823 -0.026 0.000 0.982 461 V HN 0.046 nan 8.190 nan 0.000 0.451 462 V N 4.802 124.771 119.914 0.091 0.000 2.406 462 V HA 0.740 4.861 4.120 0.001 0.000 0.272 462 V C 0.825 176.983 176.094 0.106 0.000 1.043 462 V CA 0.340 62.696 62.300 0.094 0.000 0.915 462 V CB 1.024 32.943 31.823 0.159 0.000 0.988 462 V HN 1.028 nan 8.190 nan 0.000 0.466 463 G N 5.743 114.556 108.800 0.022 0.000 3.042 463 G HA2 0.742 4.703 3.960 0.001 0.000 0.278 463 G HA3 0.742 4.703 3.960 0.001 0.000 0.278 463 G C -3.064 171.696 174.900 -0.232 0.000 1.371 463 G CA -1.492 43.568 45.100 -0.066 0.000 1.009 463 G HN 0.514 nan 8.290 nan 0.000 0.523 464 P HA 0.192 nan 4.420 nan 0.000 0.272 464 P C 0.007 177.047 177.300 -0.433 0.000 1.230 464 P CA 0.039 62.645 63.100 -0.822 0.000 0.788 464 P CB 0.500 31.296 31.700 -1.507 0.000 0.949 465 T N 2.124 116.497 114.554 -0.302 0.000 2.829 465 T HA 0.134 4.485 4.350 0.001 0.000 0.293 465 T C 1.735 176.318 174.700 -0.196 0.000 0.970 465 T CA 0.501 62.479 62.100 -0.204 0.000 1.168 465 T CB 0.303 69.081 68.868 -0.149 0.000 0.911 465 T HN 0.429 nan 8.240 nan 0.000 0.535 466 A N 3.899 126.627 122.820 -0.154 0.000 1.892 466 A HA -0.143 4.178 4.320 0.001 0.000 0.218 466 A C 2.516 180.036 177.584 -0.107 0.000 1.188 466 A CA 2.126 54.085 52.037 -0.130 0.000 0.631 466 A CB -0.955 17.993 19.000 -0.086 0.000 0.822 466 A HN 0.869 nan 8.150 nan 0.000 0.447 467 S N -0.856 114.794 115.700 -0.084 0.000 2.481 467 S HA -0.139 4.332 4.470 0.001 0.000 0.231 467 S C 1.606 176.164 174.600 -0.070 0.000 0.996 467 S CA 1.238 59.400 58.200 -0.063 0.000 0.942 467 S CB -0.378 62.795 63.200 -0.044 0.000 0.768 467 S HN 0.680 nan 8.310 nan 0.000 0.520 468 Q N -0.561 119.184 119.800 -0.092 0.000 2.403 468 Q HA 0.245 4.586 4.340 0.001 0.000 0.203 468 Q C 0.595 176.527 176.000 -0.114 0.000 0.932 468 Q CA 0.142 55.891 55.803 -0.091 0.000 0.945 468 Q CB -0.030 28.652 28.738 -0.092 0.000 1.045 468 Q HN 0.605 nan 8.270 nan 0.000 0.511 469 C N 1.375 120.594 119.300 -0.136 0.000 2.589 469 C HA 0.259 4.720 4.460 0.001 0.000 0.307 469 C C 0.548 175.466 174.990 -0.119 0.000 1.328 469 C CA -0.597 58.325 59.018 -0.160 0.000 1.742 469 C CB -1.036 26.576 27.740 -0.212 0.000 2.037 469 C HN 0.276 nan 8.230 nan 0.000 0.592 470 R N 0.817 121.265 120.500 -0.087 0.000 2.438 470 R HA 0.528 4.869 4.340 0.001 0.000 0.287 470 R C -0.615 175.642 176.300 -0.073 0.000 1.077 470 R CA 0.334 56.394 56.100 -0.068 0.000 1.034 470 R CB 0.984 31.253 30.300 -0.051 0.000 0.993 470 R HN 0.122 nan 8.270 nan 0.000 0.459 471 V N 2.450 122.319 119.914 -0.074 0.000 3.012 471 V HA 0.228 4.349 4.120 0.001 0.000 0.307 471 V C -0.935 175.118 176.094 -0.069 0.000 1.166 471 V CA -0.949 61.310 62.300 -0.069 0.000 0.974 471 V CB 2.743 34.497 31.823 -0.116 0.000 1.040 471 V HN 0.657 nan 8.190 nan 0.000 0.428 472 K N 3.898 124.268 120.400 -0.051 0.000 2.263 472 K HA 0.525 4.845 4.320 0.001 0.000 0.272 472 K C -1.022 175.536 176.600 -0.070 0.000 1.033 472 K CA -0.519 55.695 56.287 -0.122 0.000 0.884 472 K CB 0.947 33.373 32.500 -0.122 0.000 1.107 472 K HN 0.661 nan 8.250 nan 0.000 0.460 473 Y N 2.831 123.045 120.300 -0.143 0.000 2.299 473 Y HA 0.541 5.092 4.550 0.002 0.000 0.326 473 Y C -0.801 174.997 175.900 -0.170 0.000 1.164 473 Y CA -1.104 56.845 58.100 -0.252 0.000 1.234 473 Y CB 0.502 38.624 38.460 -0.562 0.000 1.219 473 Y HN 0.315 nan 8.280 nan 0.000 0.497 474 I N 4.887 125.446 120.570 -0.019 0.000 2.439 474 I HA 0.330 4.501 4.170 0.001 0.000 0.285 474 I C -0.218 175.954 176.117 0.092 0.000 1.021 474 I CA -0.991 60.319 61.300 0.015 0.000 1.091 474 I CB 1.386 39.349 38.000 -0.062 0.000 1.242 474 I HN 0.564 nan 8.210 nan 0.000 0.439 475 R N 6.072 126.652 120.500 0.134 0.000 2.449 475 R HA 0.219 4.560 4.340 0.001 0.000 0.296 475 R C -0.274 175.961 176.300 -0.108 0.000 1.047 475 R CA -0.155 55.909 56.100 -0.060 0.000 1.018 475 R CB 0.466 30.762 30.300 -0.007 0.000 0.962 475 R HN 0.539 nan 8.270 nan 0.000 0.428 476 R N 3.021 123.413 120.500 -0.180 0.000 2.242 476 R HA 0.149 4.490 4.340 0.001 0.000 0.334 476 R C 0.529 176.771 176.300 -0.095 0.000 1.071 476 R CA -0.080 55.958 56.100 -0.104 0.000 0.922 476 R CB 0.541 30.794 30.300 -0.079 0.000 1.023 476 R HN 0.519 nan 8.270 nan 0.000 0.458 477 K N 0.000 120.364 120.400 -0.060 0.000 2.780 477 K HA 0.000 4.321 4.320 0.001 0.000 0.191 477 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 477 K CB 0.000 32.480 32.500 -0.033 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543