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 2ewb_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKGLVLGIYS KEKEEDEPQF TSAGENFNKL VSGKLREILN ISGPPLKAGK DATA SEQUENCE TRTFYGLHED FPSVVVVGLG KKTAGIDEQE NWHEGKENIR AAVAAGCRQI DATA SEQUENCE QDLEIPSVEV DPCGDAQAAA EGAVLGLYEY DDLKQKRKVV VSAKLHGSED DATA SEQUENCE QEAWQRGVLF ASGQNLARRL METPANEMTP TKFAEIVEEN LKSASIKTDV DATA SEQUENCE FIRPKSWIEE QEMGSFLSVA KGSEEPPVFL EIHYKGSPNA SEPPLVFVGK DATA SEQUENCE GITFDSGGIS IKAAANMDLM RADMGGAATI CSAIVSAAKL DLPINIVGLA DATA SEQUENCE PLCENMPSGK ANKPGDVVRA RNGKTIQVDN TDAEGRLILA DALCYAHTFN DATA SEQUENCE PKVIINAATL TGAMDIALGS GATGVFTNSS WLWNKLFEAS IETGDRVWRM DATA SEQUENCE PLFEHYTRQV IDCQLADVNN IGKYRSAGAC TAAAFLKEFV THPKWAHLDI DATA SEQUENCE AGVMTNKDEV PYLRKGMAGR PTRTLIEFLF RFSQDS 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.707 174.700 0.011 0.000 1.109 1 T CA 0.000 62.105 62.100 0.008 0.000 1.349 1 T CB 0.000 68.883 68.868 0.025 0.000 0.612 2 K N 1.605 122.011 120.400 0.009 0.000 2.426 2 K HA 0.705 5.025 4.320 -0.001 0.000 0.254 2 K C 0.297 176.994 176.600 0.161 0.000 0.936 2 K CA -0.534 55.778 56.287 0.041 0.000 0.801 2 K CB 1.521 33.990 32.500 -0.051 0.000 1.139 2 K HN 0.908 nan 8.250 nan 0.000 0.424 3 G N 2.434 111.329 108.800 0.159 0.000 2.488 3 G HA2 0.567 4.526 3.960 -0.001 0.000 0.318 3 G HA3 0.567 4.526 3.960 -0.001 0.000 0.318 3 G C -1.618 173.339 174.900 0.095 0.000 1.188 3 G CA -0.598 44.588 45.100 0.144 0.000 0.944 3 G HN 0.473 nan 8.290 nan 0.000 0.495 4 L N 0.551 121.689 121.223 -0.142 0.000 2.436 4 L HA 0.638 4.977 4.340 -0.001 0.000 0.268 4 L C -0.900 175.712 176.870 -0.430 0.000 0.974 4 L CA -0.694 53.845 54.840 -0.502 0.000 0.826 4 L CB 2.337 43.670 42.059 -1.209 0.000 1.291 4 L HN 0.304 nan 8.230 nan 0.000 0.406 5 V N 6.339 126.025 119.914 -0.379 0.000 2.384 5 V HA 0.536 4.656 4.120 -0.001 0.000 0.287 5 V C -0.179 175.721 176.094 -0.323 0.000 1.020 5 V CA -0.401 61.734 62.300 -0.274 0.000 0.850 5 V CB 1.407 33.140 31.823 -0.150 0.000 0.987 5 V HN 0.620 nan 8.190 nan 0.000 0.436 6 L N 3.979 125.027 121.223 -0.290 0.000 2.362 6 L HA 0.825 5.165 4.340 -0.001 0.000 0.271 6 L C 0.603 177.397 176.870 -0.127 0.000 1.002 6 L CA -0.531 54.157 54.840 -0.254 0.000 0.818 6 L CB 2.182 44.044 42.059 -0.328 0.000 1.298 6 L HN 0.712 nan 8.230 nan 0.000 0.420 7 G N 1.883 110.617 108.800 -0.111 0.000 2.410 7 G HA2 0.713 4.673 3.960 -0.001 0.000 0.330 7 G HA3 0.713 4.673 3.960 -0.001 0.000 0.330 7 G C -1.368 173.469 174.900 -0.105 0.000 1.142 7 G CA -0.394 44.622 45.100 -0.141 0.000 0.902 7 G HN 0.530 nan 8.290 nan 0.000 0.491 8 I N 0.334 120.795 120.570 -0.182 0.000 2.619 8 I HA 0.507 4.676 4.170 -0.001 0.000 0.292 8 I C -1.127 174.812 176.117 -0.296 0.000 1.100 8 I CA -1.090 60.093 61.300 -0.196 0.000 1.043 8 I CB 1.767 39.688 38.000 -0.130 0.000 1.239 8 I HN 0.465 nan 8.210 nan 0.000 0.420 9 Y N 3.725 124.005 120.300 -0.033 0.000 2.334 9 Y HA 0.362 4.912 4.550 -0.000 0.000 0.325 9 Y C 0.947 176.819 175.900 -0.048 0.000 1.308 9 Y CA -0.350 57.733 58.100 -0.028 0.000 1.389 9 Y CB 0.949 39.398 38.460 -0.018 0.000 1.328 9 Y HN 0.549 nan 8.280 nan 0.000 0.532 10 S N 0.897 116.693 115.700 0.160 0.000 2.565 10 S HA 0.193 4.663 4.470 -0.001 0.000 0.276 10 S C -0.324 174.306 174.600 0.051 0.000 1.326 10 S CA -1.115 57.126 58.200 0.068 0.000 1.045 10 S CB 0.669 63.903 63.200 0.058 0.000 0.918 10 S HN 0.606 nan 8.310 nan 0.000 0.505 11 K N 1.668 122.077 120.400 0.014 0.000 2.412 11 K HA 0.050 4.369 4.320 -0.001 0.000 0.281 11 K C -0.020 176.580 176.600 0.001 0.000 1.027 11 K CA -0.061 56.226 56.287 0.000 0.000 0.989 11 K CB 0.321 32.812 32.500 -0.015 0.000 0.935 11 K HN 0.626 nan 8.250 nan 0.000 0.475 12 E N 3.005 123.202 120.200 -0.005 0.000 2.318 12 E HA -0.002 4.348 4.350 -0.001 0.000 0.265 12 E C 0.552 177.147 176.600 -0.008 0.000 1.069 12 E CA -0.133 56.261 56.400 -0.009 0.000 0.893 12 E CB 1.405 31.094 29.700 -0.019 0.000 1.076 12 E HN 0.563 nan 8.360 nan 0.000 0.414 13 K N 1.546 121.942 120.400 -0.007 0.000 2.103 13 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 13 K C 1.140 177.736 176.600 -0.007 0.000 1.048 13 K CA 1.543 57.827 56.287 -0.006 0.000 0.930 13 K CB 0.160 32.657 32.500 -0.004 0.000 0.716 13 K HN 0.400 nan 8.250 nan 0.000 0.444 14 E N 0.303 120.497 120.200 -0.008 0.000 2.358 14 E HA -0.060 4.290 4.350 -0.001 0.000 0.195 14 E C -0.283 176.312 176.600 -0.008 0.000 1.010 14 E CA 0.346 56.742 56.400 -0.008 0.000 0.856 14 E CB 0.225 29.920 29.700 -0.009 0.000 0.795 14 E HN 0.419 nan 8.360 nan 0.000 0.504 15 E N 0.596 120.790 120.200 -0.010 0.000 2.319 15 E HA 0.062 4.412 4.350 -0.001 0.000 0.268 15 E C -0.370 176.224 176.600 -0.011 0.000 1.050 15 E CA -0.206 56.187 56.400 -0.011 0.000 0.878 15 E CB 1.040 30.732 29.700 -0.013 0.000 1.066 15 E HN 0.023 nan 8.360 nan 0.000 0.406 16 D N 0.685 121.078 120.400 -0.011 0.000 2.333 16 D HA -0.042 4.598 4.640 -0.001 0.000 0.208 16 D C -0.083 176.205 176.300 -0.020 0.000 0.984 16 D CA 0.663 54.656 54.000 -0.012 0.000 0.873 16 D CB 0.302 41.097 40.800 -0.008 0.000 0.935 16 D HN 0.471 nan 8.370 nan 0.000 0.521 17 E N -0.502 119.681 120.200 -0.029 0.000 2.390 17 E HA 0.291 4.640 4.350 -0.001 0.000 0.280 17 E C -3.030 173.527 176.600 -0.071 0.000 0.992 17 E CA -2.056 54.313 56.400 -0.051 0.000 0.790 17 E CB 1.824 31.488 29.700 -0.060 0.000 1.248 17 E HN -0.273 nan 8.360 nan 0.000 0.447 18 P HA -0.039 nan 4.420 nan 0.000 0.266 18 P C -0.767 176.426 177.300 -0.178 0.000 1.195 18 P CA 0.018 63.052 63.100 -0.110 0.000 0.768 18 P CB 0.636 32.257 31.700 -0.131 0.000 0.838 19 Q N 2.090 121.854 119.800 -0.059 0.000 2.243 19 Q HA 0.353 4.692 4.340 -0.001 0.000 0.252 19 Q C 0.040 176.059 176.000 0.032 0.000 0.909 19 Q CA -0.454 55.345 55.803 -0.007 0.000 0.922 19 Q CB 0.426 29.228 28.738 0.106 0.000 1.215 19 Q HN 0.372 nan 8.270 nan 0.000 0.427 20 F N 0.667 120.673 119.950 0.093 0.000 2.403 20 F HA 0.119 4.646 4.527 -0.001 0.000 0.320 20 F C 1.618 177.470 175.800 0.086 0.000 1.176 20 F CA -0.276 57.742 58.000 0.031 0.000 1.206 20 F CB 0.278 39.291 39.000 0.022 0.000 1.235 20 F HN 0.423 nan 8.300 nan 0.000 0.565 21 T N -2.148 112.544 114.554 0.230 0.000 2.698 21 T HA 0.112 4.462 4.350 -0.001 0.000 0.295 21 T C 1.216 176.024 174.700 0.181 0.000 1.007 21 T CA -0.339 61.881 62.100 0.199 0.000 0.980 21 T CB 0.502 69.400 68.868 0.051 0.000 1.036 21 T HN 0.453 nan 8.240 nan 0.000 0.526 22 S N 0.509 116.293 115.700 0.140 0.000 2.368 22 S HA -0.052 4.418 4.470 -0.001 0.000 0.225 22 S C 2.502 177.143 174.600 0.068 0.000 1.030 22 S CA 1.023 59.281 58.200 0.097 0.000 0.999 22 S CB -1.051 62.192 63.200 0.071 0.000 0.844 22 S HN 0.855 nan 8.310 nan 0.000 0.459 23 A N 1.448 124.303 122.820 0.059 0.000 1.933 23 A HA 0.076 4.396 4.320 -0.001 0.000 0.218 23 A C 2.308 179.892 177.584 0.000 0.000 1.175 23 A CA 1.720 53.797 52.037 0.066 0.000 0.628 23 A CB -1.356 17.710 19.000 0.110 0.000 0.814 23 A HN 0.518 nan 8.150 nan 0.000 0.444 24 G N -0.498 108.268 108.800 -0.055 0.000 2.404 24 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.215 24 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.215 24 G C 1.473 176.163 174.900 -0.351 0.000 1.174 24 G CA 1.286 46.231 45.100 -0.259 0.000 0.780 24 G HN 0.525 nan 8.290 nan 0.000 0.537 25 E N 1.256 121.415 120.200 -0.068 0.000 2.110 25 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 25 E C 2.359 178.941 176.600 -0.031 0.000 0.988 25 E CA 1.151 57.554 56.400 0.005 0.000 0.804 25 E CB -0.303 29.479 29.700 0.136 0.000 0.745 25 E HN 0.324 nan 8.360 nan 0.000 0.458 26 N N -0.336 118.365 118.700 0.001 0.000 2.120 26 N HA -0.159 4.580 4.740 -0.001 0.000 0.188 26 N C 1.684 177.193 175.510 -0.001 0.000 1.024 26 N CA 1.141 54.196 53.050 0.010 0.000 0.852 26 N CB -0.563 37.945 38.487 0.035 0.000 1.003 26 N HN 0.231 nan 8.380 nan 0.000 0.424 27 F N 2.276 122.143 119.950 -0.138 0.000 2.134 27 F HA -0.146 4.381 4.527 -0.001 0.000 0.299 27 F C 2.208 177.907 175.800 -0.168 0.000 1.097 27 F CA 1.273 59.177 58.000 -0.161 0.000 1.264 27 F CB -0.488 38.351 39.000 -0.269 0.000 1.001 27 F HN -0.006 nan 8.300 nan 0.000 0.479 28 N N 0.736 119.319 118.700 -0.195 0.000 2.104 28 N HA -0.264 4.475 4.740 -0.001 0.000 0.190 28 N C 1.955 177.345 175.510 -0.199 0.000 1.024 28 N CA 1.857 54.763 53.050 -0.240 0.000 0.853 28 N CB -0.403 37.943 38.487 -0.236 0.000 1.008 28 N HN 0.397 nan 8.380 nan 0.000 0.424 29 K N -0.311 120.006 120.400 -0.138 0.000 2.057 29 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 29 K C 1.931 178.451 176.600 -0.133 0.000 1.049 29 K CA 1.061 57.290 56.287 -0.096 0.000 0.931 29 K CB -0.300 32.169 32.500 -0.052 0.000 0.714 29 K HN 0.231 nan 8.250 nan 0.000 0.440 30 L N 1.186 122.293 121.223 -0.193 0.000 2.079 30 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 30 L C 1.545 178.281 176.870 -0.223 0.000 1.081 30 L CA 1.494 56.217 54.840 -0.195 0.000 0.752 30 L CB -0.148 41.767 42.059 -0.241 0.000 0.896 30 L HN 0.168 nan 8.230 nan 0.000 0.433 31 V N -3.647 116.052 119.914 -0.359 0.000 3.252 31 V HA 0.333 4.453 4.120 -0.001 0.000 0.350 31 V C 0.973 176.970 176.094 -0.161 0.000 1.329 31 V CA 0.149 62.286 62.300 -0.271 0.000 1.258 31 V CB -1.122 30.474 31.823 -0.379 0.000 1.208 31 V HN 0.437 nan 8.190 nan 0.000 0.462 32 S N 1.129 116.752 115.700 -0.127 0.000 3.549 32 S HA -0.177 4.292 4.470 -0.001 0.000 0.366 32 S C 1.583 176.143 174.600 -0.067 0.000 1.012 32 S CA 1.485 59.637 58.200 -0.080 0.000 1.141 32 S CB -1.732 61.431 63.200 -0.062 0.000 0.910 32 S HN 2.400 nan 8.310 nan 0.000 0.471 33 G N 0.118 108.872 108.800 -0.077 0.000 2.179 33 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.260 33 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.260 33 G C 0.811 175.682 174.900 -0.048 0.000 0.977 33 G CA 0.684 45.757 45.100 -0.045 0.000 0.641 33 G HN 0.509 nan 8.290 nan 0.000 0.533 34 K N -0.398 119.957 120.400 -0.074 0.000 2.211 34 K HA 0.102 4.422 4.320 -0.001 0.000 0.203 34 K C 2.428 178.972 176.600 -0.093 0.000 1.050 34 K CA 1.372 57.617 56.287 -0.069 0.000 0.945 34 K CB -0.347 32.117 32.500 -0.059 0.000 0.732 34 K HN 0.542 nan 8.250 nan 0.000 0.451 35 L N 1.379 122.549 121.223 -0.089 0.000 2.005 35 L HA -0.126 4.213 4.340 -0.001 0.000 0.207 35 L C 2.503 179.331 176.870 -0.071 0.000 1.072 35 L CA 1.729 56.504 54.840 -0.108 0.000 0.744 35 L CB -0.509 41.505 42.059 -0.074 0.000 0.895 35 L HN -0.023 nan 8.230 nan 0.000 0.433 36 R N 0.169 120.717 120.500 0.078 0.000 2.081 36 R HA -0.210 4.129 4.340 -0.001 0.000 0.235 36 R C 2.303 178.605 176.300 0.003 0.000 1.131 36 R CA 2.042 58.242 56.100 0.167 0.000 0.960 36 R CB -0.674 29.748 30.300 0.203 0.000 0.856 36 R HN 0.651 nan 8.270 nan 0.000 0.436 37 E N -0.516 119.664 120.200 -0.034 0.000 2.058 37 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 37 E C 1.784 178.325 176.600 -0.098 0.000 0.997 37 E CA 1.619 57.988 56.400 -0.052 0.000 0.801 37 E CB -0.220 29.454 29.700 -0.043 0.000 0.746 37 E HN 0.376 nan 8.360 nan 0.000 0.450 38 I N 0.588 121.041 120.570 -0.195 0.000 2.353 38 I HA -0.167 4.003 4.170 -0.001 0.000 0.248 38 I C 2.151 178.045 176.117 -0.371 0.000 1.119 38 I CA 0.620 61.751 61.300 -0.282 0.000 1.417 38 I CB -0.206 37.546 38.000 -0.413 0.000 1.078 38 I HN 0.252 nan 8.210 nan 0.000 0.421 39 L N 0.597 121.533 121.223 -0.479 0.000 2.046 39 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 39 L C 2.071 178.933 176.870 -0.013 0.000 1.077 39 L CA 1.999 56.716 54.840 -0.205 0.000 0.747 39 L CB -1.209 40.821 42.059 -0.049 0.000 0.896 39 L HN 0.334 nan 8.230 nan 0.000 0.432 40 N N -0.556 118.122 118.700 -0.037 0.000 2.084 40 N HA -0.192 4.547 4.740 -0.001 0.000 0.190 40 N C 1.928 177.445 175.510 0.011 0.000 1.030 40 N CA 1.630 54.675 53.050 -0.008 0.000 0.849 40 N CB -0.204 38.275 38.487 -0.015 0.000 1.012 40 N HN 0.371 nan 8.380 nan 0.000 0.423 41 I N 0.811 121.384 120.570 0.004 0.000 2.286 41 I HA -0.233 3.937 4.170 -0.001 0.000 0.248 41 I C 2.372 178.528 176.117 0.065 0.000 1.115 41 I CA 0.859 62.175 61.300 0.027 0.000 1.392 41 I CB -0.358 37.655 38.000 0.020 0.000 1.065 41 I HN 0.240 nan 8.210 nan 0.000 0.418 42 S N 0.109 115.875 115.700 0.110 0.000 2.440 42 S HA 0.070 4.539 4.470 -0.001 0.000 0.238 42 S C 1.198 175.864 174.600 0.111 0.000 1.010 42 S CA 0.636 58.940 58.200 0.172 0.000 0.972 42 S CB -0.344 63.072 63.200 0.361 0.000 0.774 42 S HN 0.665 nan 8.310 nan 0.000 0.501 43 G N 1.610 110.458 108.800 0.080 0.000 2.317 43 G HA2 0.062 4.022 3.960 -0.001 0.000 0.196 43 G HA3 0.062 4.022 3.960 -0.001 0.000 0.196 43 G C -2.859 172.067 174.900 0.043 0.000 1.255 43 G CA -0.481 44.652 45.100 0.054 0.000 1.243 43 G HN 0.473 nan 8.290 nan 0.000 0.535 44 P HA 0.335 nan 4.420 nan 0.000 0.268 44 P C -2.348 174.967 177.300 0.025 0.000 1.208 44 P CA -0.471 62.643 63.100 0.024 0.000 0.777 44 P CB 0.067 31.778 31.700 0.019 0.000 0.875 45 P HA 0.142 nan 4.420 nan 0.000 0.269 45 P C -0.283 177.022 177.300 0.009 0.000 1.215 45 P CA -0.058 63.045 63.100 0.005 0.000 0.780 45 P CB 0.707 32.402 31.700 -0.008 0.000 0.898 46 L N 2.287 123.513 121.223 0.006 0.000 2.315 46 L HA 0.215 4.554 4.340 -0.001 0.000 0.283 46 L C 1.232 178.101 176.870 -0.001 0.000 1.089 46 L CA -0.180 54.663 54.840 0.004 0.000 0.833 46 L CB 0.176 42.239 42.059 0.006 0.000 1.170 46 L HN 0.311 nan 8.230 nan 0.000 0.442 47 K N 2.219 122.621 120.400 0.003 0.000 2.109 47 K HA 0.553 4.873 4.320 -0.001 0.000 0.243 47 K C 0.071 176.676 176.600 0.009 0.000 1.006 47 K CA -0.840 55.453 56.287 0.010 0.000 0.917 47 K CB 0.975 33.483 32.500 0.014 0.000 1.081 47 K HN 0.631 nan 8.250 nan 0.000 0.468 48 A N 0.524 123.355 122.820 0.019 0.000 2.580 48 A HA 0.257 4.577 4.320 -0.001 0.000 0.244 48 A C 1.186 178.777 177.584 0.012 0.000 1.045 48 A CA 1.145 53.193 52.037 0.019 0.000 0.761 48 A CB -1.199 17.821 19.000 0.034 0.000 0.962 48 A HN 0.914 nan 8.150 nan 0.000 0.512 49 G N 1.750 110.551 108.800 0.002 0.000 2.205 49 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.261 49 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.261 49 G C 0.378 175.274 174.900 -0.006 0.000 0.980 49 G CA 0.761 45.862 45.100 0.002 0.000 0.632 49 G HN 0.777 nan 8.290 nan 0.000 0.533 50 K N 1.093 121.487 120.400 -0.011 0.000 2.098 50 K HA 0.692 5.012 4.320 -0.001 0.000 0.257 50 K C 0.608 177.186 176.600 -0.036 0.000 0.999 50 K CA 0.489 56.765 56.287 -0.019 0.000 0.924 50 K CB 1.413 33.905 32.500 -0.013 0.000 1.028 50 K HN 0.638 nan 8.250 nan 0.000 0.466 51 T N -1.426 113.097 114.554 -0.053 0.000 2.896 51 T HA 0.691 5.041 4.350 -0.001 0.000 0.297 51 T C -0.776 173.843 174.700 -0.135 0.000 1.108 51 T CA -1.016 61.032 62.100 -0.087 0.000 1.004 51 T CB 2.415 71.228 68.868 -0.091 0.000 1.159 51 T HN 0.551 nan 8.240 nan 0.000 0.499 52 R N 0.447 120.811 120.500 -0.226 0.000 2.584 52 R HA 0.586 4.926 4.340 -0.001 0.000 0.276 52 R C -1.427 174.450 176.300 -0.705 0.000 1.046 52 R CA -0.485 55.367 56.100 -0.412 0.000 0.906 52 R CB 2.285 32.357 30.300 -0.380 0.000 1.215 52 R HN 0.861 nan 8.270 nan 0.000 0.449 53 T N 4.077 118.168 114.554 -0.771 0.000 2.794 53 T HA 0.530 4.880 4.350 -0.001 0.000 0.280 53 T C -1.109 172.926 174.700 -1.107 0.000 0.987 53 T CA -0.214 61.385 62.100 -0.835 0.000 0.993 53 T CB 0.476 68.981 68.868 -0.604 0.000 0.939 53 T HN 0.221 nan 8.240 nan 0.000 0.449 54 F N 2.304 121.990 119.950 -0.440 0.000 2.467 54 F HA 0.556 5.083 4.527 -0.001 0.000 0.336 54 F C -0.408 175.173 175.800 -0.366 0.000 1.123 54 F CA -1.393 56.415 58.000 -0.319 0.000 0.964 54 F CB 1.000 39.939 39.000 -0.102 0.000 1.136 54 F HN 0.476 nan 8.300 nan 0.000 0.447 55 Y N -0.153 120.276 120.300 0.216 0.000 2.419 55 Y HA 0.532 5.081 4.550 -0.000 0.000 0.328 55 Y C 1.120 177.111 175.900 0.153 0.000 1.162 55 Y CA -1.046 57.143 58.100 0.148 0.000 1.174 55 Y CB 1.613 40.130 38.460 0.094 0.000 1.228 55 Y HN 0.832 nan 8.280 nan 0.000 0.473 56 G N 1.179 110.167 108.800 0.315 0.000 2.203 56 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.263 56 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.263 56 G C 0.709 175.727 174.900 0.196 0.000 1.012 56 G CA 0.758 45.987 45.100 0.216 0.000 0.749 56 G HN 0.689 nan 8.290 nan 0.000 0.512 57 L N -1.255 120.122 121.223 0.256 0.000 2.141 57 L HA 0.138 4.478 4.340 -0.001 0.000 0.209 57 L C 1.353 178.385 176.870 0.269 0.000 1.094 57 L CA 1.124 56.113 54.840 0.249 0.000 0.763 57 L CB -0.043 42.229 42.059 0.354 0.000 0.908 57 L HN 0.513 nan 8.230 nan 0.000 0.437 58 H N -0.599 118.631 119.070 0.266 0.000 2.954 58 H HA 0.070 4.625 4.556 -0.001 0.000 0.361 58 H C 0.121 175.550 175.328 0.168 0.000 1.122 58 H CA -0.324 55.858 56.048 0.224 0.000 1.217 58 H CB 1.795 31.801 29.762 0.407 0.000 1.776 58 H HN 0.193 nan 8.280 nan 0.000 0.533 59 E N 2.172 122.322 120.200 -0.084 0.000 2.171 59 E HA -0.202 4.148 4.350 -0.001 0.000 0.197 59 E C -0.071 176.603 176.600 0.123 0.000 0.997 59 E CA 1.640 58.047 56.400 0.011 0.000 0.810 59 E CB 0.199 29.835 29.700 -0.107 0.000 0.738 59 E HN 0.444 nan 8.360 nan 0.000 0.467 60 D N -0.389 120.218 120.400 0.345 0.000 2.348 60 D HA 0.045 4.685 4.640 -0.001 0.000 0.211 60 D C -0.374 175.604 176.300 -0.537 0.000 0.998 60 D CA 0.520 54.420 54.000 -0.167 0.000 0.873 60 D CB 0.182 40.742 40.800 -0.399 0.000 0.925 60 D HN 0.178 nan 8.370 nan 0.000 0.524 61 F N 0.751 120.842 119.950 0.235 0.000 2.769 61 F HA 0.247 4.773 4.527 -0.001 0.000 0.358 61 F C -1.677 174.214 175.800 0.151 0.000 1.285 61 F CA -2.032 56.040 58.000 0.119 0.000 1.199 61 F CB 1.716 40.732 39.000 0.027 0.000 1.558 61 F HN -0.227 nan 8.300 nan 0.000 0.583 62 P HA -0.087 nan 4.420 nan 0.000 0.219 62 P C 0.101 177.577 177.300 0.293 0.000 1.146 62 P CA 0.927 64.168 63.100 0.235 0.000 0.808 62 P CB 0.539 32.335 31.700 0.161 0.000 0.779 63 S N -0.343 115.499 115.700 0.237 0.000 2.659 63 S HA 0.424 4.894 4.470 -0.001 0.000 0.312 63 S C -0.574 174.029 174.600 0.004 0.000 1.114 63 S CA -0.527 57.756 58.200 0.139 0.000 1.063 63 S CB 1.987 65.291 63.200 0.174 0.000 0.996 63 S HN -0.248 nan 8.310 nan 0.000 0.478 64 V N 4.150 124.003 119.914 -0.101 0.000 2.444 64 V HA 0.470 4.590 4.120 -0.001 0.000 0.294 64 V C -0.538 175.429 176.094 -0.212 0.000 1.022 64 V CA -0.644 61.540 62.300 -0.193 0.000 0.850 64 V CB 1.843 33.550 31.823 -0.193 0.000 0.992 64 V HN 0.662 nan 8.190 nan 0.000 0.426 65 V N 6.028 125.804 119.914 -0.231 0.000 2.347 65 V HA 0.412 4.532 4.120 -0.001 0.000 0.280 65 V C 0.006 176.001 176.094 -0.165 0.000 1.021 65 V CA -0.596 61.570 62.300 -0.223 0.000 0.847 65 V CB 1.718 33.431 31.823 -0.183 0.000 0.990 65 V HN 0.597 nan 8.190 nan 0.000 0.444 66 V N 6.208 126.060 119.914 -0.104 0.000 2.465 66 V HA 0.515 4.635 4.120 -0.001 0.000 0.279 66 V C 0.079 176.148 176.094 -0.041 0.000 1.045 66 V CA -0.377 61.924 62.300 0.002 0.000 0.938 66 V CB 1.741 33.700 31.823 0.226 0.000 0.986 66 V HN 0.754 nan 8.190 nan 0.000 0.467 67 V N 1.922 121.808 119.914 -0.047 0.000 2.680 67 V HA 0.935 5.054 4.120 -0.001 0.000 0.309 67 V C 0.385 176.442 176.094 -0.060 0.000 1.052 67 V CA -0.576 61.689 62.300 -0.058 0.000 0.908 67 V CB 1.550 33.332 31.823 -0.068 0.000 1.001 67 V HN 0.895 nan 8.190 nan 0.000 0.431 68 G N 2.898 111.670 108.800 -0.047 0.000 2.364 68 G HA2 0.486 4.446 3.960 -0.001 0.000 0.267 68 G HA3 0.486 4.446 3.960 -0.001 0.000 0.267 68 G C 0.189 175.058 174.900 -0.052 0.000 1.233 68 G CA -0.550 44.523 45.100 -0.046 0.000 0.885 68 G HN 0.920 nan 8.290 nan 0.000 0.490 69 L N 2.517 123.691 121.223 -0.082 0.000 2.607 69 L HA 0.275 4.615 4.340 -0.001 0.000 0.228 69 L C 1.750 178.674 176.870 0.090 0.000 1.123 69 L CA 0.472 55.286 54.840 -0.042 0.000 0.890 69 L CB -0.648 41.286 42.059 -0.208 0.000 1.103 69 L HN 0.927 nan 8.230 nan 0.000 0.468 70 G N 1.186 110.041 108.800 0.092 0.000 2.553 70 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.242 70 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.242 70 G C -0.143 174.862 174.900 0.176 0.000 1.277 70 G CA -0.311 44.855 45.100 0.109 0.000 0.910 70 G HN 0.198 nan 8.290 nan 0.000 0.576 71 K N 0.911 121.376 120.400 0.109 0.000 2.383 71 K HA 0.237 4.556 4.320 -0.001 0.000 0.286 71 K C 1.701 178.314 176.600 0.021 0.000 1.051 71 K CA 0.420 56.742 56.287 0.059 0.000 0.974 71 K CB 0.612 33.124 32.500 0.021 0.000 0.968 71 K HN 0.606 nan 8.250 nan 0.000 0.475 72 K N 1.917 122.214 120.400 -0.173 0.000 2.074 72 K HA -0.144 4.175 4.320 -0.001 0.000 0.209 72 K C 1.132 177.579 176.600 -0.255 0.000 1.048 72 K CA 2.120 58.061 56.287 -0.577 0.000 0.926 72 K CB 0.005 31.877 32.500 -1.046 0.000 0.713 72 K HN 0.775 nan 8.250 nan 0.000 0.444 73 T N -1.546 112.913 114.554 -0.159 0.000 3.219 73 T HA 0.334 4.684 4.350 -0.001 0.000 0.249 73 T C 0.331 174.998 174.700 -0.055 0.000 1.099 73 T CA -0.059 61.987 62.100 -0.090 0.000 0.988 73 T CB 0.186 69.007 68.868 -0.079 0.000 0.999 73 T HN 0.236 nan 8.240 nan 0.000 0.550 74 A N 0.828 123.627 122.820 -0.035 0.000 2.515 74 A HA 0.606 4.925 4.320 -0.001 0.000 0.263 74 A C 1.013 178.519 177.584 -0.129 0.000 1.096 74 A CA 0.002 52.014 52.037 -0.040 0.000 0.769 74 A CB -0.329 18.675 19.000 0.007 0.000 1.040 74 A HN 0.617 nan 8.150 nan 0.000 0.505 75 G N 1.277 109.937 108.800 -0.233 0.000 3.175 75 G HA2 0.509 4.469 3.960 -0.001 0.000 0.153 75 G HA3 0.509 4.469 3.960 -0.001 0.000 0.153 75 G C -0.060 174.515 174.900 -0.542 0.000 1.216 75 G CA -0.955 43.808 45.100 -0.561 0.000 0.943 75 G HN 0.685 nan 8.290 nan 0.000 0.611 76 I N 1.762 122.115 120.570 -0.363 0.000 2.668 76 I HA 0.040 4.210 4.170 -0.001 0.000 0.285 76 I C -0.414 175.697 176.117 -0.011 0.000 1.168 76 I CA 0.085 61.312 61.300 -0.122 0.000 1.424 76 I CB 0.723 38.700 38.000 -0.039 0.000 1.377 76 I HN 0.217 nan 8.210 nan 0.000 0.560 77 D N 7.095 127.557 120.400 0.103 0.000 2.380 77 D HA 0.019 4.658 4.640 -0.001 0.000 0.230 77 D C 0.911 177.258 176.300 0.079 0.000 1.154 77 D CA -0.085 53.983 54.000 0.114 0.000 0.859 77 D CB 1.031 41.964 40.800 0.222 0.000 1.045 77 D HN 0.573 nan 8.370 nan 0.000 0.495 78 E N 2.302 122.538 120.200 0.059 0.000 2.209 78 E HA -0.194 4.156 4.350 -0.001 0.000 0.196 78 E C 0.949 177.591 176.600 0.069 0.000 0.993 78 E CA 1.013 57.454 56.400 0.068 0.000 0.819 78 E CB 0.459 30.193 29.700 0.057 0.000 0.745 78 E HN 0.496 nan 8.360 nan 0.000 0.477 79 Q N -0.308 119.515 119.800 0.039 0.000 2.302 79 Q HA -0.026 4.314 4.340 -0.001 0.000 0.202 79 Q C 1.373 177.349 176.000 -0.041 0.000 0.936 79 Q CA 0.635 56.450 55.803 0.019 0.000 0.886 79 Q CB 0.423 29.165 28.738 0.006 0.000 0.986 79 Q HN 0.266 nan 8.270 nan 0.000 0.487 80 E N 0.549 120.671 120.200 -0.130 0.000 2.472 80 E HA 0.076 4.426 4.350 -0.001 0.000 0.196 80 E C -0.292 176.049 176.600 -0.433 0.000 1.033 80 E CA -0.181 55.951 56.400 -0.447 0.000 0.886 80 E CB 0.061 29.277 29.700 -0.806 0.000 0.944 80 E HN 0.409 nan 8.360 nan 0.000 0.492 81 N N 0.816 119.468 118.700 -0.081 0.000 2.740 81 N HA -0.173 4.567 4.740 -0.001 0.000 0.248 81 N C -1.018 174.528 175.510 0.060 0.000 1.062 81 N CA 0.676 53.758 53.050 0.054 0.000 0.704 81 N CB -0.914 37.736 38.487 0.273 0.000 0.968 81 N HN 0.258 nan 8.380 nan 0.000 0.547 82 W N -1.168 120.138 121.300 0.010 0.000 3.005 82 W HA 0.440 5.099 4.660 -0.001 0.000 0.343 82 W C -1.085 175.450 176.519 0.026 0.000 1.243 82 W CA -1.140 56.208 57.345 0.006 0.000 1.186 82 W CB 0.180 29.668 29.460 0.047 0.000 1.453 82 W HN -0.049 nan 8.180 nan 0.000 0.575 83 H N 2.798 121.977 119.070 0.183 0.000 2.934 83 H HA 0.113 4.669 4.556 -0.001 0.000 0.273 83 H C 1.062 176.320 175.328 -0.116 0.000 1.121 83 H CA 1.185 57.256 56.048 0.038 0.000 1.451 83 H CB 0.928 30.669 29.762 -0.036 0.000 1.469 83 H HN 0.850 nan 8.280 nan 0.000 0.476 84 E N 3.075 123.264 120.200 -0.018 0.000 2.110 84 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 84 E C 1.849 178.432 176.600 -0.029 0.000 0.988 84 E CA 1.147 57.499 56.400 -0.081 0.000 0.804 84 E CB -0.138 29.611 29.700 0.083 0.000 0.745 84 E HN 0.917 nan 8.360 nan 0.000 0.458 85 G N 1.156 110.036 108.800 0.133 0.000 2.446 85 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 85 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 85 G C 1.523 176.477 174.900 0.089 0.000 1.168 85 G CA 1.018 46.230 45.100 0.185 0.000 0.771 85 G HN 0.211 nan 8.290 nan 0.000 0.551 86 K N 0.069 120.520 120.400 0.085 0.000 2.057 86 K HA -0.048 4.272 4.320 -0.001 0.000 0.207 86 K C 2.443 178.908 176.600 -0.226 0.000 1.049 86 K CA 1.109 57.288 56.287 -0.180 0.000 0.931 86 K CB -0.073 32.242 32.500 -0.308 0.000 0.714 86 K HN 0.149 nan 8.250 nan 0.000 0.440 87 E N 0.946 120.972 120.200 -0.290 0.000 2.110 87 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 87 E C 1.616 178.090 176.600 -0.210 0.000 0.988 87 E CA 1.089 57.260 56.400 -0.382 0.000 0.804 87 E CB -0.273 28.904 29.700 -0.872 0.000 0.745 87 E HN 0.384 nan 8.360 nan 0.000 0.458 88 N N 0.288 118.902 118.700 -0.143 0.000 2.120 88 N HA -0.100 4.639 4.740 -0.001 0.000 0.188 88 N C 2.095 177.571 175.510 -0.057 0.000 1.024 88 N CA 0.812 53.827 53.050 -0.058 0.000 0.852 88 N CB -0.065 38.421 38.487 -0.001 0.000 1.003 88 N HN 0.094 nan 8.380 nan 0.000 0.424 89 I N 1.205 121.728 120.570 -0.078 0.000 2.179 89 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 89 I C 2.340 178.375 176.117 -0.135 0.000 1.088 89 I CA 1.107 62.353 61.300 -0.090 0.000 1.357 89 I CB -0.227 37.718 38.000 -0.092 0.000 1.051 89 I HN 0.113 nan 8.210 nan 0.000 0.409 90 R N 0.865 121.226 120.500 -0.233 0.000 2.096 90 R HA -0.192 4.147 4.340 -0.001 0.000 0.240 90 R C 2.457 178.677 176.300 -0.133 0.000 1.139 90 R CA 1.726 57.602 56.100 -0.374 0.000 0.952 90 R CB -0.634 29.123 30.300 -0.904 0.000 0.854 90 R HN 0.395 nan 8.270 nan 0.000 0.436 91 A N 1.313 124.148 122.820 0.025 0.000 1.877 91 A HA -0.099 4.221 4.320 -0.001 0.000 0.216 91 A C 2.428 180.035 177.584 0.039 0.000 1.186 91 A CA 1.674 53.785 52.037 0.122 0.000 0.620 91 A CB -0.758 18.302 19.000 0.100 0.000 0.822 91 A HN 0.410 nan 8.150 nan 0.000 0.443 92 A N -0.601 122.216 122.820 -0.005 0.000 1.883 92 A HA -0.038 4.282 4.320 -0.001 0.000 0.217 92 A C 2.248 179.816 177.584 -0.028 0.000 1.186 92 A CA 1.950 53.974 52.037 -0.023 0.000 0.624 92 A CB -1.030 17.945 19.000 -0.043 0.000 0.822 92 A HN 0.422 nan 8.150 nan 0.000 0.444 93 V N -0.183 119.709 119.914 -0.035 0.000 2.358 93 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 93 V C 3.053 179.144 176.094 -0.005 0.000 1.047 93 V CA 1.848 64.133 62.300 -0.026 0.000 1.035 93 V CB -1.254 30.554 31.823 -0.026 0.000 0.658 93 V HN 0.629 nan 8.190 nan 0.000 0.452 94 A N 0.175 123.000 122.820 0.009 0.000 1.883 94 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 94 A C 2.451 180.053 177.584 0.031 0.000 1.186 94 A CA 2.286 54.350 52.037 0.044 0.000 0.624 94 A CB -0.879 18.189 19.000 0.115 0.000 0.822 94 A HN 0.577 nan 8.150 nan 0.000 0.444 95 A N -0.569 122.264 122.820 0.021 0.000 1.908 95 A HA 0.092 4.412 4.320 -0.001 0.000 0.218 95 A C 2.441 180.015 177.584 -0.016 0.000 1.181 95 A CA 2.061 54.100 52.037 0.003 0.000 0.627 95 A CB -1.446 17.552 19.000 -0.004 0.000 0.818 95 A HN 0.770 nan 8.150 nan 0.000 0.445 96 G N -0.990 107.793 108.800 -0.028 0.000 2.421 96 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 96 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 96 G C 1.585 176.465 174.900 -0.034 0.000 1.171 96 G CA 1.315 46.385 45.100 -0.050 0.000 0.775 96 G HN 0.527 nan 8.290 nan 0.000 0.543 97 C N 0.209 119.503 119.300 -0.009 0.000 2.440 97 C HA 0.067 4.527 4.460 -0.001 0.000 0.278 97 C C 2.958 177.953 174.990 0.009 0.000 1.295 97 C CA 0.517 59.540 59.018 0.008 0.000 1.738 97 C CB -0.787 26.972 27.740 0.033 0.000 1.987 97 C HN 0.444 nan 8.230 nan 0.000 0.492 98 R N 0.410 120.915 120.500 0.008 0.000 2.115 98 R HA -0.157 4.183 4.340 -0.001 0.000 0.230 98 R C 2.221 178.521 176.300 -0.001 0.000 1.111 98 R CA 1.355 57.460 56.100 0.008 0.000 0.976 98 R CB -0.377 29.929 30.300 0.011 0.000 0.870 98 R HN 0.481 nan 8.270 nan 0.000 0.445 99 Q N 1.078 120.870 119.800 -0.012 0.000 2.079 99 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 99 Q C 1.904 177.901 176.000 -0.006 0.000 0.974 99 Q CA 1.398 57.190 55.803 -0.018 0.000 0.840 99 Q CB -0.042 28.666 28.738 -0.049 0.000 0.898 99 Q HN 0.169 nan 8.270 nan 0.000 0.430 100 I N 0.674 121.239 120.570 -0.009 0.000 2.226 100 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 100 I C 2.356 178.485 176.117 0.019 0.000 1.100 100 I CA 1.641 62.945 61.300 0.007 0.000 1.374 100 I CB -1.233 36.768 38.000 0.001 0.000 1.057 100 I HN 0.503 nan 8.210 nan 0.000 0.413 101 Q N 0.561 120.369 119.800 0.013 0.000 2.124 101 Q HA -0.270 4.070 4.340 -0.001 0.000 0.202 101 Q C 1.804 177.810 176.000 0.010 0.000 0.977 101 Q CA 2.037 57.847 55.803 0.012 0.000 0.850 101 Q CB -0.031 28.712 28.738 0.008 0.000 0.901 101 Q HN 0.390 nan 8.270 nan 0.000 0.429 102 D N -0.105 120.301 120.400 0.011 0.000 2.218 102 D HA -0.114 4.525 4.640 -0.001 0.000 0.204 102 D C 1.413 177.724 176.300 0.019 0.000 0.976 102 D CA 0.727 54.733 54.000 0.011 0.000 0.853 102 D CB 0.017 40.823 40.800 0.010 0.000 0.939 102 D HN 0.313 nan 8.370 nan 0.000 0.481 103 L N 0.093 121.336 121.223 0.033 0.000 2.599 103 L HA 0.127 4.467 4.340 -0.001 0.000 0.230 103 L C 0.278 177.167 176.870 0.031 0.000 1.141 103 L CA 0.317 55.185 54.840 0.047 0.000 0.877 103 L CB -0.275 41.840 42.059 0.092 0.000 1.009 103 L HN 0.041 nan 8.230 nan 0.000 0.447 104 E N -0.134 120.078 120.200 0.020 0.000 2.637 104 E HA -0.231 4.118 4.350 -0.001 0.000 0.265 104 E C -0.078 176.532 176.600 0.017 0.000 1.073 104 E CA 0.203 56.610 56.400 0.012 0.000 0.778 104 E CB -1.448 28.255 29.700 0.005 0.000 1.362 104 E HN 0.451 nan 8.360 nan 0.000 0.413 105 I N 1.507 122.093 120.570 0.027 0.000 2.352 105 I HA 0.099 4.269 4.170 -0.001 0.000 0.290 105 I C -0.767 175.366 176.117 0.026 0.000 1.036 105 I CA -1.858 59.461 61.300 0.031 0.000 1.336 105 I CB 0.691 38.719 38.000 0.047 0.000 1.407 105 I HN -0.088 nan 8.210 nan 0.000 0.497 106 P HA 0.003 nan 4.420 nan 0.000 0.229 106 P C 0.038 177.355 177.300 0.027 0.000 1.160 106 P CA 0.574 63.686 63.100 0.019 0.000 0.777 106 P CB 0.517 32.224 31.700 0.012 0.000 0.814 107 S N -0.602 115.118 115.700 0.032 0.000 2.538 107 S HA 0.494 4.964 4.470 -0.001 0.000 0.288 107 S C -1.061 173.571 174.600 0.054 0.000 1.108 107 S CA -0.616 57.608 58.200 0.040 0.000 0.971 107 S CB 2.532 65.751 63.200 0.032 0.000 1.041 107 S HN -0.097 nan 8.310 nan 0.000 0.483 108 V N 2.748 122.695 119.914 0.055 0.000 2.760 108 V HA 0.518 4.638 4.120 -0.001 0.000 0.309 108 V C -1.328 174.782 176.094 0.027 0.000 1.077 108 V CA -0.575 61.753 62.300 0.047 0.000 0.910 108 V CB 2.012 33.853 31.823 0.029 0.000 1.008 108 V HN 0.941 nan 8.190 nan 0.000 0.424 109 E N 4.044 124.244 120.200 0.001 0.000 2.175 109 E HA 0.597 4.947 4.350 -0.001 0.000 0.278 109 E C -1.328 175.169 176.600 -0.172 0.000 0.969 109 E CA -0.567 55.797 56.400 -0.059 0.000 0.796 109 E CB 2.276 32.019 29.700 0.072 0.000 1.104 109 E HN 0.538 nan 8.360 nan 0.000 0.395 110 V N 3.109 122.907 119.914 -0.193 0.000 2.417 110 V HA 0.072 4.191 4.120 -0.001 0.000 0.291 110 V C -0.004 176.013 176.094 -0.128 0.000 1.024 110 V CA -0.969 61.250 62.300 -0.134 0.000 0.861 110 V CB 1.647 33.531 31.823 0.102 0.000 0.985 110 V HN 0.672 nan 8.190 nan 0.000 0.436 111 D N 7.506 127.833 120.400 -0.121 0.000 2.493 111 D HA 0.056 4.695 4.640 -0.001 0.000 0.240 111 D C -1.145 175.166 176.300 0.019 0.000 1.142 111 D CA -1.422 52.540 54.000 -0.063 0.000 0.872 111 D CB 1.814 42.543 40.800 -0.118 0.000 1.173 111 D HN 0.295 nan 8.370 nan 0.000 0.467 112 P HA -0.062 nan 4.420 nan 0.000 0.226 112 P C 0.460 177.802 177.300 0.071 0.000 1.153 112 P CA 0.190 63.350 63.100 0.101 0.000 0.777 112 P CB -0.210 31.531 31.700 0.068 0.000 0.794 113 C N -1.208 118.115 119.300 0.039 0.000 4.268 113 C HA -0.066 4.393 4.460 -0.001 0.000 0.299 113 C C 1.746 176.792 174.990 0.094 0.000 1.429 113 C CA 0.602 59.639 59.018 0.031 0.000 2.018 113 C CB -2.982 24.750 27.740 -0.013 0.000 1.277 113 C HN 0.611 nan 8.230 nan 0.000 0.767 114 G N -0.224 108.632 108.800 0.093 0.000 2.184 114 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.264 114 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.264 114 G C -0.223 174.697 174.900 0.034 0.000 0.975 114 G CA 0.831 45.983 45.100 0.088 0.000 0.642 114 G HN 0.932 nan 8.290 nan 0.000 0.536 115 D N -0.704 119.704 120.400 0.013 0.000 2.584 115 D HA 0.558 5.198 4.640 -0.001 0.000 0.238 115 D C 1.273 177.553 176.300 -0.034 0.000 1.302 115 D CA 0.559 54.532 54.000 -0.046 0.000 0.884 115 D CB 0.294 41.032 40.800 -0.103 0.000 1.456 115 D HN 0.445 nan 8.370 nan 0.000 0.528 116 A N 2.503 125.334 122.820 0.018 0.000 1.948 116 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 116 A C 1.914 179.485 177.584 -0.021 0.000 1.177 116 A CA 1.998 54.108 52.037 0.121 0.000 0.636 116 A CB -0.317 18.797 19.000 0.190 0.000 0.815 116 A HN 0.595 nan 8.150 nan 0.000 0.449 117 Q N -0.628 119.079 119.800 -0.155 0.000 2.050 117 Q HA -0.104 4.236 4.340 -0.001 0.000 0.202 117 Q C 2.192 177.982 176.000 -0.350 0.000 0.980 117 Q CA 1.693 57.310 55.803 -0.310 0.000 0.840 117 Q CB -0.378 28.132 28.738 -0.381 0.000 0.898 117 Q HN 0.591 nan 8.270 nan 0.000 0.424 118 A N 0.751 123.397 122.820 -0.291 0.000 1.902 118 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 118 A C 2.287 179.706 177.584 -0.275 0.000 1.181 118 A CA 1.690 53.545 52.037 -0.304 0.000 0.623 118 A CB -1.015 17.827 19.000 -0.262 0.000 0.818 118 A HN 0.578 nan 8.150 nan 0.000 0.443 119 A N -0.093 122.624 122.820 -0.172 0.000 1.877 119 A HA 0.146 4.466 4.320 -0.001 0.000 0.216 119 A C 2.525 179.964 177.584 -0.242 0.000 1.186 119 A CA 2.172 54.164 52.037 -0.075 0.000 0.620 119 A CB -1.065 18.030 19.000 0.157 0.000 0.822 119 A HN 1.064 nan 8.150 nan 0.000 0.443 120 A N -0.087 122.359 122.820 -0.624 0.000 1.902 120 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 120 A C 1.905 179.113 177.584 -0.626 0.000 1.181 120 A CA 1.690 52.983 52.037 -1.240 0.000 0.623 120 A CB -0.598 17.417 19.000 -1.643 0.000 0.818 120 A HN 0.649 nan 8.150 nan 0.000 0.443 121 E N -0.628 119.289 120.200 -0.472 0.000 2.077 121 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 121 E C 2.138 178.548 176.600 -0.317 0.000 0.989 121 E CA 0.811 56.998 56.400 -0.354 0.000 0.800 121 E CB -0.411 29.068 29.700 -0.367 0.000 0.746 121 E HN 0.610 nan 8.360 nan 0.000 0.452 122 G N 1.291 109.887 108.800 -0.339 0.000 2.421 122 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.216 122 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.216 122 G C 1.701 176.545 174.900 -0.093 0.000 1.171 122 G CA 0.950 45.905 45.100 -0.242 0.000 0.775 122 G HN 0.354 nan 8.290 nan 0.000 0.543 123 A N 0.003 122.767 122.820 -0.093 0.000 1.873 123 A HA 0.121 4.441 4.320 -0.001 0.000 0.215 123 A C 2.611 180.197 177.584 0.003 0.000 1.186 123 A CA 1.871 53.907 52.037 -0.003 0.000 0.616 123 A CB -0.640 18.412 19.000 0.087 0.000 0.823 123 A HN 0.256 nan 8.150 nan 0.000 0.442 124 V N 0.086 119.962 119.914 -0.064 0.000 2.358 124 V HA -0.201 3.919 4.120 -0.001 0.000 0.246 124 V C 2.544 178.667 176.094 0.048 0.000 1.047 124 V CA 1.777 64.067 62.300 -0.016 0.000 1.035 124 V CB -0.754 31.015 31.823 -0.089 0.000 0.658 124 V HN 0.529 nan 8.190 nan 0.000 0.452 125 L N 0.371 121.610 121.223 0.027 0.000 2.072 125 L HA -0.012 4.328 4.340 -0.001 0.000 0.205 125 L C 2.656 179.629 176.870 0.172 0.000 1.079 125 L CA 1.602 56.509 54.840 0.111 0.000 0.752 125 L CB -1.105 41.049 42.059 0.157 0.000 0.906 125 L HN 0.464 nan 8.230 nan 0.000 0.436 126 G N 0.068 108.950 108.800 0.136 0.000 2.422 126 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 126 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 126 G C 1.606 176.570 174.900 0.108 0.000 1.146 126 G CA 0.463 45.642 45.100 0.131 0.000 0.769 126 G HN 0.233 nan 8.290 nan 0.000 0.547 127 L N -0.930 120.353 121.223 0.101 0.000 2.341 127 L HA 0.215 4.555 4.340 -0.001 0.000 0.214 127 L C 1.220 178.137 176.870 0.078 0.000 1.115 127 L CA -0.534 54.352 54.840 0.076 0.000 0.820 127 L CB -0.198 41.901 42.059 0.067 0.000 0.944 127 L HN 0.219 nan 8.230 nan 0.000 0.452 128 Y N 2.367 122.690 120.300 0.039 0.000 2.712 128 Y HA -0.036 4.514 4.550 -0.000 0.000 0.333 128 Y C 0.088 176.020 175.900 0.053 0.000 1.225 128 Y CA 0.316 58.443 58.100 0.045 0.000 1.499 128 Y CB 0.229 38.718 38.460 0.050 0.000 1.288 128 Y HN 0.084 nan 8.280 nan 0.000 0.575 129 E N 5.069 124.677 120.200 -0.987 0.000 2.321 129 E HA 0.041 4.390 4.350 -0.001 0.000 0.281 129 E C -2.127 174.006 176.600 -0.779 0.000 0.910 129 E CA -0.984 55.039 56.400 -0.629 0.000 0.770 129 E CB 1.486 31.020 29.700 -0.276 0.000 1.225 129 E HN 0.578 nan 8.360 nan 0.000 0.417 130 Y N 3.920 123.933 120.300 -0.479 0.000 2.556 130 Y HA 0.187 4.737 4.550 -0.000 0.000 0.352 130 Y C -0.241 175.585 175.900 -0.123 0.000 1.006 130 Y CA -0.451 57.525 58.100 -0.206 0.000 1.277 130 Y CB 0.245 38.733 38.460 0.048 0.000 1.136 130 Y HN 0.439 nan 8.280 nan 0.000 0.523 131 D N 0.954 121.030 120.400 -0.540 0.000 2.599 131 D HA 0.067 4.706 4.640 -0.001 0.000 0.249 131 D C 0.474 176.507 176.300 -0.445 0.000 1.313 131 D CA -0.065 53.676 54.000 -0.431 0.000 0.815 131 D CB -0.030 40.626 40.800 -0.241 0.000 1.077 131 D HN 0.392 nan 8.370 nan 0.000 0.492 132 D N 0.665 120.667 120.400 -0.664 0.000 2.182 132 D HA -0.085 4.555 4.640 -0.001 0.000 0.201 132 D C 1.534 177.681 176.300 -0.256 0.000 0.986 132 D CA 0.950 54.721 54.000 -0.383 0.000 0.847 132 D CB 0.149 40.763 40.800 -0.311 0.000 0.942 132 D HN 0.369 nan 8.370 nan 0.000 0.467 133 L N -0.451 120.595 121.223 -0.295 0.000 2.653 133 L HA 0.197 4.537 4.340 -0.001 0.000 0.231 133 L C 0.404 177.212 176.870 -0.102 0.000 1.153 133 L CA 0.029 54.791 54.840 -0.130 0.000 0.933 133 L CB 0.062 42.091 42.059 -0.051 0.000 1.175 133 L HN -0.254 nan 8.230 nan 0.000 0.473 134 K N 0.381 120.703 120.400 -0.131 0.000 2.182 134 K HA 0.196 4.515 4.320 -0.001 0.000 0.262 134 K C 0.456 177.012 176.600 -0.074 0.000 0.957 134 K CA -0.321 55.911 56.287 -0.091 0.000 0.842 134 K CB 2.360 34.800 32.500 -0.100 0.000 1.099 134 K HN -0.080 nan 8.250 nan 0.000 0.438 135 Q N 2.091 121.860 119.800 -0.052 0.000 2.137 135 Q HA -0.045 4.294 4.340 -0.001 0.000 0.198 135 Q C -0.411 175.564 176.000 -0.042 0.000 0.960 135 Q CA 1.294 57.072 55.803 -0.042 0.000 0.847 135 Q CB 0.420 29.140 28.738 -0.031 0.000 0.915 135 Q HN 0.332 nan 8.270 nan 0.000 0.448 136 K N 1.442 121.816 120.400 -0.042 0.000 2.263 136 K HA 0.362 4.682 4.320 -0.001 0.000 0.272 136 K C -0.957 175.613 176.600 -0.050 0.000 1.033 136 K CA -0.200 56.063 56.287 -0.039 0.000 0.884 136 K CB 1.444 33.926 32.500 -0.031 0.000 1.107 136 K HN 0.066 nan 8.250 nan 0.000 0.460 137 R N 1.800 122.269 120.500 -0.052 0.000 2.854 137 R HA 0.366 4.706 4.340 -0.001 0.000 0.271 137 R C -0.456 175.815 176.300 -0.049 0.000 0.994 137 R CA -1.102 54.961 56.100 -0.063 0.000 0.945 137 R CB 1.853 32.107 30.300 -0.077 0.000 1.194 137 R HN 0.327 nan 8.270 nan 0.000 0.476 138 K N 0.585 120.954 120.400 -0.052 0.000 2.138 138 K HA 0.202 4.522 4.320 -0.001 0.000 0.251 138 K C -0.104 176.475 176.600 -0.034 0.000 1.015 138 K CA -0.507 55.758 56.287 -0.037 0.000 0.917 138 K CB 0.759 33.237 32.500 -0.037 0.000 1.021 138 K HN 0.157 nan 8.250 nan 0.000 0.485 139 V N 2.119 122.021 119.914 -0.021 0.000 2.673 139 V HA -0.047 4.073 4.120 -0.001 0.000 0.303 139 V C 0.246 176.331 176.094 -0.014 0.000 1.046 139 V CA -0.249 62.042 62.300 -0.015 0.000 1.126 139 V CB 0.952 32.772 31.823 -0.005 0.000 0.934 139 V HN 0.393 nan 8.190 nan 0.000 0.487 140 V N 6.250 126.156 119.914 -0.013 0.000 2.479 140 V HA 0.113 4.233 4.120 -0.001 0.000 0.281 140 V C 0.224 176.323 176.094 0.009 0.000 1.031 140 V CA -0.029 62.267 62.300 -0.007 0.000 1.038 140 V CB 1.109 32.928 31.823 -0.006 0.000 0.981 140 V HN 0.598 nan 8.190 nan 0.000 0.478 141 V N 4.743 124.667 119.914 0.017 0.000 2.394 141 V HA 0.330 4.449 4.120 -0.001 0.000 0.282 141 V C 0.413 176.536 176.094 0.048 0.000 1.031 141 V CA -0.177 62.142 62.300 0.032 0.000 0.881 141 V CB 1.839 33.682 31.823 0.034 0.000 0.982 141 V HN 0.868 nan 8.190 nan 0.000 0.451 142 S N 4.536 120.266 115.700 0.051 0.000 2.410 142 S HA 0.685 5.155 4.470 -0.001 0.000 0.304 142 S C 0.034 174.686 174.600 0.086 0.000 1.095 142 S CA -0.363 57.877 58.200 0.067 0.000 1.089 142 S CB 0.424 63.654 63.200 0.051 0.000 0.968 142 S HN 1.033 nan 8.310 nan 0.000 0.480 143 A N 5.644 128.543 122.820 0.132 0.000 2.290 143 A HA 0.722 5.042 4.320 -0.001 0.000 0.310 143 A C -0.174 177.557 177.584 0.245 0.000 1.202 143 A CA -0.619 51.531 52.037 0.188 0.000 0.837 143 A CB 0.628 19.782 19.000 0.257 0.000 1.139 143 A HN 0.831 nan 8.150 nan 0.000 0.509 144 K N 1.138 121.580 120.400 0.069 0.000 2.482 144 K HA 0.464 4.783 4.320 -0.001 0.000 0.257 144 K C -1.160 175.013 176.600 -0.712 0.000 0.969 144 K CA -0.999 55.191 56.287 -0.161 0.000 0.842 144 K CB 2.193 34.629 32.500 -0.108 0.000 1.359 144 K HN 0.575 nan 8.250 nan 0.000 0.441 145 L N 2.014 122.436 121.223 -1.335 0.000 2.490 145 L HA 0.075 4.415 4.340 -0.001 0.000 0.274 145 L C -0.311 176.215 176.870 -0.574 0.000 1.201 145 L CA 0.444 54.433 54.840 -1.418 0.000 0.869 145 L CB -0.065 41.252 42.059 -1.236 0.000 1.123 145 L HN 0.512 nan 8.230 nan 0.000 0.484 146 H N 4.870 123.642 119.070 -0.496 0.000 2.723 146 H HA 0.594 5.150 4.556 -0.001 0.000 0.294 146 H C 0.287 175.480 175.328 -0.225 0.000 1.079 146 H CA 0.580 56.453 56.048 -0.292 0.000 1.411 146 H CB 0.023 29.621 29.762 -0.273 0.000 1.439 146 H HN 1.018 nan 8.280 nan 0.000 0.474 147 G N 2.756 111.264 108.800 -0.486 0.000 2.592 147 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.684 147 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.684 147 G C 0.067 174.829 174.900 -0.230 0.000 1.291 147 G CA -0.155 44.728 45.100 -0.361 0.000 0.891 147 G HN 1.205 nan 8.290 nan 0.000 0.544 148 S N -1.896 113.708 115.700 -0.160 0.000 2.952 148 S HA 0.406 4.876 4.470 -0.001 0.000 0.251 148 S C 0.721 175.276 174.600 -0.075 0.000 1.021 148 S CA 0.675 58.806 58.200 -0.114 0.000 1.067 148 S CB 0.866 64.011 63.200 -0.092 0.000 1.002 148 S HN 0.666 nan 8.310 nan 0.000 0.574 149 E N 1.439 121.596 120.200 -0.072 0.000 2.415 149 E HA 0.069 4.419 4.350 -0.001 0.000 0.197 149 E C -0.174 176.414 176.600 -0.021 0.000 1.007 149 E CA 0.369 56.744 56.400 -0.041 0.000 0.890 149 E CB 0.163 29.841 29.700 -0.037 0.000 0.891 149 E HN 0.522 nan 8.360 nan 0.000 0.496 150 D N 0.833 121.222 120.400 -0.018 0.000 2.772 150 D HA 0.068 4.707 4.640 -0.001 0.000 0.272 150 D C 0.806 177.143 176.300 0.062 0.000 1.314 150 D CA 0.032 54.044 54.000 0.020 0.000 0.835 150 D CB 0.672 41.494 40.800 0.037 0.000 1.080 150 D HN 0.143 nan 8.370 nan 0.000 0.482 151 Q N 0.698 120.519 119.800 0.036 0.000 2.061 151 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 151 Q C 1.887 177.952 176.000 0.109 0.000 0.984 151 Q CA 1.201 57.047 55.803 0.072 0.000 0.846 151 Q CB 0.178 28.932 28.738 0.026 0.000 0.902 151 Q HN 0.371 nan 8.270 nan 0.000 0.421 152 E N 0.411 120.644 120.200 0.055 0.000 2.051 152 E HA -0.204 4.146 4.350 -0.001 0.000 0.192 152 E C 1.965 178.571 176.600 0.010 0.000 0.991 152 E CA 0.964 57.383 56.400 0.031 0.000 0.799 152 E CB -0.071 29.633 29.700 0.007 0.000 0.748 152 E HN 0.346 nan 8.360 nan 0.000 0.449 153 A N 1.787 124.611 122.820 0.006 0.000 1.902 153 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 153 A C 2.038 179.605 177.584 -0.028 0.000 1.181 153 A CA 1.332 53.341 52.037 -0.047 0.000 0.623 153 A CB -1.240 17.738 19.000 -0.036 0.000 0.818 153 A HN 0.734 nan 8.150 nan 0.000 0.443 154 W N 0.554 121.798 121.300 -0.094 0.000 2.355 154 W HA -0.180 4.480 4.660 -0.001 0.000 0.309 154 W C 1.828 178.304 176.519 -0.073 0.000 1.206 154 W CA 2.089 59.384 57.345 -0.083 0.000 1.284 154 W CB -0.337 29.088 29.460 -0.058 0.000 1.145 154 W HN 0.370 nan 8.180 nan 0.000 0.502 155 Q N 0.480 120.337 119.800 0.095 0.000 2.170 155 Q HA -0.201 4.139 4.340 -0.001 0.000 0.203 155 Q C 2.210 178.153 176.000 -0.096 0.000 0.976 155 Q CA 1.571 57.377 55.803 0.005 0.000 0.858 155 Q CB -0.708 28.080 28.738 0.084 0.000 0.907 155 Q HN 0.454 nan 8.270 nan 0.000 0.433 156 R N -0.123 120.308 120.500 -0.115 0.000 2.081 156 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 156 R C 2.202 178.389 176.300 -0.189 0.000 1.131 156 R CA 1.412 57.433 56.100 -0.132 0.000 0.960 156 R CB -0.413 29.744 30.300 -0.239 0.000 0.856 156 R HN 0.319 nan 8.270 nan 0.000 0.436 157 G N -0.118 108.478 108.800 -0.341 0.000 2.418 157 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 157 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 157 G C 1.387 176.090 174.900 -0.329 0.000 1.158 157 G CA 0.841 45.696 45.100 -0.408 0.000 0.771 157 G HN 0.216 nan 8.290 nan 0.000 0.545 158 V N 0.898 120.568 119.914 -0.408 0.000 2.332 158 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 158 V C 2.684 178.706 176.094 -0.120 0.000 1.055 158 V CA 1.733 63.861 62.300 -0.286 0.000 1.038 158 V CB -0.497 31.182 31.823 -0.239 0.000 0.651 158 V HN 0.407 nan 8.190 nan 0.000 0.450 159 L N -1.223 119.964 121.223 -0.059 0.000 1.994 159 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 159 L C 2.391 179.267 176.870 0.010 0.000 1.071 159 L CA 1.957 56.789 54.840 -0.013 0.000 0.745 159 L CB -0.346 41.725 42.059 0.021 0.000 0.892 159 L HN 0.210 nan 8.230 nan 0.000 0.431 160 F N 0.245 120.090 119.950 -0.176 0.000 2.095 160 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 160 F C 2.624 178.337 175.800 -0.146 0.000 1.104 160 F CA 1.428 59.334 58.000 -0.156 0.000 1.232 160 F CB -1.106 37.791 39.000 -0.172 0.000 0.987 160 F HN 0.183 nan 8.300 nan 0.000 0.475 161 A N -0.900 121.939 122.820 0.030 0.000 1.902 161 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 161 A C 2.392 179.930 177.584 -0.077 0.000 1.181 161 A CA 2.031 54.041 52.037 -0.046 0.000 0.623 161 A CB -1.094 17.845 19.000 -0.101 0.000 0.818 161 A HN 0.330 nan 8.150 nan 0.000 0.443 162 S N -0.353 115.299 115.700 -0.079 0.000 2.382 162 S HA -0.052 4.417 4.470 -0.001 0.000 0.228 162 S C 2.044 176.570 174.600 -0.123 0.000 1.027 162 S CA 1.037 59.182 58.200 -0.091 0.000 0.991 162 S CB -0.595 62.563 63.200 -0.070 0.000 0.823 162 S HN 0.773 nan 8.310 nan 0.000 0.469 163 G N 0.946 109.667 108.800 -0.132 0.000 2.421 163 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.216 163 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.216 163 G C 1.276 176.088 174.900 -0.147 0.000 1.171 163 G CA 0.910 45.914 45.100 -0.160 0.000 0.775 163 G HN 0.520 nan 8.290 nan 0.000 0.543 164 Q N 0.091 119.817 119.800 -0.124 0.000 2.124 164 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 164 Q C 2.324 178.209 176.000 -0.192 0.000 0.977 164 Q CA 1.342 57.078 55.803 -0.112 0.000 0.850 164 Q CB -0.106 28.600 28.738 -0.054 0.000 0.901 164 Q HN 0.352 nan 8.270 nan 0.000 0.429 165 N N 0.495 119.036 118.700 -0.265 0.000 2.309 165 N HA -0.141 4.598 4.740 -0.001 0.000 0.182 165 N C 1.573 176.819 175.510 -0.440 0.000 1.018 165 N CA 0.651 53.376 53.050 -0.541 0.000 0.876 165 N CB -0.223 37.942 38.487 -0.537 0.000 0.972 165 N HN 0.243 nan 8.380 nan 0.000 0.434 166 L N 0.916 121.995 121.223 -0.240 0.000 2.056 166 L HA 0.041 4.380 4.340 -0.001 0.000 0.207 166 L C 2.023 178.804 176.870 -0.148 0.000 1.078 166 L CA 1.479 56.219 54.840 -0.167 0.000 0.749 166 L CB -0.971 41.001 42.059 -0.144 0.000 0.901 166 L HN 0.102 nan 8.230 nan 0.000 0.433 167 A N -0.238 122.502 122.820 -0.134 0.000 1.902 167 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 167 A C 2.399 179.936 177.584 -0.078 0.000 1.181 167 A CA 1.829 53.822 52.037 -0.073 0.000 0.623 167 A CB -0.538 18.430 19.000 -0.053 0.000 0.818 167 A HN 0.523 nan 8.150 nan 0.000 0.443 168 R N -0.884 119.525 120.500 -0.151 0.000 2.073 168 R HA -0.129 4.211 4.340 -0.001 0.000 0.234 168 R C 2.551 178.805 176.300 -0.078 0.000 1.134 168 R CA 1.544 57.569 56.100 -0.126 0.000 0.952 168 R CB -0.390 29.765 30.300 -0.241 0.000 0.850 168 R HN 0.623 nan 8.270 nan 0.000 0.433 169 R N 1.383 121.821 120.500 -0.103 0.000 2.080 169 R HA -0.145 4.194 4.340 -0.001 0.000 0.236 169 R C 2.188 178.405 176.300 -0.137 0.000 1.137 169 R CA 1.542 57.630 56.100 -0.021 0.000 0.943 169 R CB -0.401 29.951 30.300 0.086 0.000 0.846 169 R HN 0.194 nan 8.270 nan 0.000 0.431 170 L N 0.278 121.462 121.223 -0.066 0.000 2.042 170 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 170 L C 2.749 179.632 176.870 0.021 0.000 1.076 170 L CA 1.616 56.461 54.840 0.008 0.000 0.749 170 L CB -0.334 41.777 42.059 0.087 0.000 0.893 170 L HN 0.331 nan 8.230 nan 0.000 0.432 171 M N -0.946 118.651 119.600 -0.005 0.000 2.156 171 M HA -0.179 4.300 4.480 -0.001 0.000 0.264 171 M C 2.231 178.497 176.300 -0.056 0.000 1.067 171 M CA 1.437 56.732 55.300 -0.009 0.000 1.131 171 M CB -0.231 32.367 32.600 -0.003 0.000 1.368 171 M HN 0.070 nan 8.290 nan 0.000 0.416 172 E N 0.211 120.335 120.200 -0.127 0.000 2.106 172 E HA -0.045 4.304 4.350 -0.001 0.000 0.192 172 E C 0.002 176.402 176.600 -0.333 0.000 0.984 172 E CA 0.794 57.083 56.400 -0.185 0.000 0.806 172 E CB -0.052 29.540 29.700 -0.180 0.000 0.750 172 E HN 0.225 nan 8.360 nan 0.000 0.458 173 T N 4.456 118.683 114.554 -0.545 0.000 2.905 173 T HA 0.012 4.362 4.350 -0.001 0.000 0.299 173 T C -2.420 172.233 174.700 -0.079 0.000 1.024 173 T CA -0.698 61.153 62.100 -0.415 0.000 1.151 173 T CB 0.533 69.249 68.868 -0.253 0.000 0.987 173 T HN 0.177 nan 8.240 nan 0.000 0.535 174 P HA 0.076 nan 4.420 nan 0.000 0.266 174 P C 0.500 177.832 177.300 0.052 0.000 1.195 174 P CA -0.174 62.959 63.100 0.055 0.000 0.768 174 P CB 0.580 32.321 31.700 0.069 0.000 0.838 175 A N 3.911 126.768 122.820 0.063 0.000 2.019 175 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 175 A C 1.795 179.400 177.584 0.036 0.000 1.164 175 A CA 1.657 53.741 52.037 0.078 0.000 0.644 175 A CB -1.175 17.918 19.000 0.155 0.000 0.805 175 A HN 0.716 nan 8.150 nan 0.000 0.449 176 N N -0.212 118.487 118.700 -0.003 0.000 2.459 176 N HA -0.136 4.604 4.740 -0.001 0.000 0.181 176 N C 1.283 176.809 175.510 0.027 0.000 1.046 176 N CA 1.566 54.614 53.050 -0.003 0.000 0.904 176 N CB -0.125 38.346 38.487 -0.027 0.000 0.964 176 N HN 0.568 nan 8.380 nan 0.000 0.444 177 E N 0.326 120.553 120.200 0.044 0.000 2.152 177 E HA 0.116 4.465 4.350 -0.001 0.000 0.195 177 E C 0.413 177.055 176.600 0.070 0.000 0.934 177 E CA 0.181 56.617 56.400 0.059 0.000 0.869 177 E CB -0.197 29.551 29.700 0.079 0.000 0.842 177 E HN 0.159 nan 8.360 nan 0.000 0.472 178 M N 2.748 122.394 119.600 0.076 0.000 3.596 178 M HA 0.184 4.663 4.480 -0.001 0.000 0.219 178 M C -0.575 175.794 176.300 0.115 0.000 1.471 178 M CA -0.090 55.272 55.300 0.104 0.000 1.644 178 M CB -0.653 32.007 32.600 0.101 0.000 1.083 178 M HN 0.111 nan 8.290 nan 0.000 0.579 179 T N 0.441 115.058 114.554 0.105 0.000 2.788 179 T HA 0.450 4.800 4.350 -0.001 0.000 0.280 179 T C -1.946 172.827 174.700 0.122 0.000 0.984 179 T CA -1.494 60.664 62.100 0.096 0.000 0.972 179 T CB 0.432 69.346 68.868 0.076 0.000 1.039 179 T HN 0.237 nan 8.240 nan 0.000 0.530 180 P HA -0.076 nan 4.420 nan 0.000 0.215 180 P C 1.693 179.085 177.300 0.154 0.000 1.157 180 P CA 1.334 64.497 63.100 0.105 0.000 0.868 180 P CB -0.304 31.453 31.700 0.096 0.000 0.788 181 T N -0.398 114.226 114.554 0.118 0.000 2.708 181 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 181 T C 1.813 176.574 174.700 0.102 0.000 1.037 181 T CA 1.742 63.903 62.100 0.101 0.000 1.146 181 T CB -0.571 68.340 68.868 0.073 0.000 0.865 181 T HN 0.055 nan 8.240 nan 0.000 0.435 182 K N 0.933 121.395 120.400 0.103 0.000 2.026 182 K HA -0.015 4.305 4.320 -0.001 0.000 0.208 182 K C 1.848 178.505 176.600 0.094 0.000 1.048 182 K CA 1.164 57.500 56.287 0.083 0.000 0.929 182 K CB -0.828 31.720 32.500 0.081 0.000 0.713 182 K HN 0.329 nan 8.250 nan 0.000 0.439 183 F N 0.723 120.675 119.950 0.004 0.000 2.095 183 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 183 F C 1.880 177.670 175.800 -0.016 0.000 1.104 183 F CA 1.943 59.938 58.000 -0.009 0.000 1.232 183 F CB -0.748 38.246 39.000 -0.010 0.000 0.987 183 F HN 0.090 nan 8.300 nan 0.000 0.475 184 A N 0.128 123.090 122.820 0.238 0.000 1.908 184 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 184 A C 2.107 179.670 177.584 -0.036 0.000 1.181 184 A CA 1.969 54.072 52.037 0.110 0.000 0.627 184 A CB -0.932 18.151 19.000 0.138 0.000 0.818 184 A HN 0.607 nan 8.150 nan 0.000 0.445 185 E N -0.389 119.798 120.200 -0.022 0.000 2.106 185 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 185 E C 1.881 178.426 176.600 -0.093 0.000 0.984 185 E CA 1.128 57.501 56.400 -0.046 0.000 0.806 185 E CB -0.274 29.417 29.700 -0.015 0.000 0.750 185 E HN 0.716 nan 8.360 nan 0.000 0.458 186 I N 0.671 121.160 120.570 -0.136 0.000 2.252 186 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 186 I C 2.355 178.333 176.117 -0.231 0.000 1.102 186 I CA 0.688 61.886 61.300 -0.170 0.000 1.385 186 I CB -0.182 37.702 38.000 -0.193 0.000 1.064 186 I HN -0.023 nan 8.210 nan 0.000 0.414 187 V N 0.976 120.680 119.914 -0.350 0.000 2.343 187 V HA -0.305 3.815 4.120 -0.001 0.000 0.247 187 V C 2.512 178.491 176.094 -0.192 0.000 1.051 187 V CA 2.189 64.293 62.300 -0.327 0.000 1.036 187 V CB -0.667 30.916 31.823 -0.400 0.000 0.654 187 V HN 0.510 nan 8.190 nan 0.000 0.451 188 E N 0.812 120.920 120.200 -0.153 0.000 2.038 188 E HA -0.308 4.042 4.350 -0.001 0.000 0.195 188 E C 2.213 178.750 176.600 -0.106 0.000 1.000 188 E CA 1.928 58.258 56.400 -0.118 0.000 0.803 188 E CB -0.183 29.457 29.700 -0.100 0.000 0.750 188 E HN 0.870 nan 8.360 nan 0.000 0.448 189 E N -0.001 120.141 120.200 -0.097 0.000 2.153 189 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 189 E C 1.949 178.500 176.600 -0.082 0.000 0.988 189 E CA 1.091 57.444 56.400 -0.078 0.000 0.811 189 E CB -0.286 29.376 29.700 -0.064 0.000 0.746 189 E HN 0.248 nan 8.360 nan 0.000 0.466 190 N N 0.604 119.242 118.700 -0.105 0.000 2.171 190 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 190 N C 1.948 177.394 175.510 -0.108 0.000 1.021 190 N CA 0.965 53.951 53.050 -0.107 0.000 0.854 190 N CB -0.102 38.305 38.487 -0.133 0.000 0.994 190 N HN 0.184 nan 8.380 nan 0.000 0.426 191 L N 2.200 123.354 121.223 -0.115 0.000 2.056 191 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 191 L C 1.887 178.713 176.870 -0.073 0.000 1.078 191 L CA 1.723 56.500 54.840 -0.106 0.000 0.749 191 L CB -0.361 41.638 42.059 -0.099 0.000 0.901 191 L HN -0.053 nan 8.230 nan 0.000 0.433 192 K N -1.195 119.164 120.400 -0.069 0.000 2.211 192 K HA -0.095 4.224 4.320 -0.001 0.000 0.203 192 K C 2.255 178.832 176.600 -0.039 0.000 1.050 192 K CA 1.223 57.480 56.287 -0.050 0.000 0.945 192 K CB -0.192 32.273 32.500 -0.058 0.000 0.732 192 K HN 0.379 nan 8.250 nan 0.000 0.451 193 S N 0.426 116.097 115.700 -0.048 0.000 2.436 193 S HA -0.001 4.469 4.470 -0.001 0.000 0.228 193 S C 1.912 176.488 174.600 -0.040 0.000 1.014 193 S CA 0.786 58.962 58.200 -0.040 0.000 0.950 193 S CB 0.026 63.200 63.200 -0.044 0.000 0.784 193 S HN 0.340 nan 8.310 nan 0.000 0.504 194 A N -0.084 122.702 122.820 -0.056 0.000 1.970 194 A HA 0.391 4.711 4.320 -0.001 0.000 0.216 194 A C 1.113 178.676 177.584 -0.034 0.000 1.170 194 A CA 0.878 52.874 52.037 -0.068 0.000 0.645 194 A CB -0.205 18.721 19.000 -0.123 0.000 0.816 194 A HN 0.568 nan 8.150 nan 0.000 0.447 195 S N -2.167 113.532 115.700 -0.003 0.000 2.558 195 S HA 0.373 4.843 4.470 -0.001 0.000 0.277 195 S C 0.257 174.889 174.600 0.054 0.000 1.143 195 S CA -0.048 58.186 58.200 0.056 0.000 0.865 195 S CB 0.551 63.846 63.200 0.158 0.000 1.102 195 S HN 0.739 nan 8.310 nan 0.000 0.454 196 I N 0.705 121.304 120.570 0.049 0.000 3.578 196 I HA 0.390 4.560 4.170 -0.001 0.000 0.295 196 I C 0.732 176.871 176.117 0.037 0.000 1.280 196 I CA 0.118 61.436 61.300 0.029 0.000 1.347 196 I CB -0.203 37.808 38.000 0.018 0.000 1.051 196 I HN 0.399 nan 8.210 nan 0.000 0.460 197 K N 3.346 123.784 120.400 0.064 0.000 3.277 197 K HA 0.164 4.484 4.320 -0.001 0.000 0.280 197 K C -0.090 176.544 176.600 0.057 0.000 1.182 197 K CA 0.052 56.358 56.287 0.033 0.000 1.219 197 K CB -0.387 32.106 32.500 -0.012 0.000 1.373 197 K HN 0.542 nan 8.250 nan 0.000 0.392 198 T N -3.209 111.380 114.554 0.058 0.000 2.883 198 T HA 0.428 4.778 4.350 -0.001 0.000 0.296 198 T C -1.039 173.645 174.700 -0.026 0.000 1.117 198 T CA -1.083 61.053 62.100 0.060 0.000 1.006 198 T CB 2.481 71.386 68.868 0.062 0.000 1.191 198 T HN -0.141 nan 8.240 nan 0.000 0.508 199 D N 0.413 120.761 120.400 -0.086 0.000 2.934 199 D HA 0.581 5.221 4.640 -0.001 0.000 0.230 199 D C -1.247 174.720 176.300 -0.555 0.000 1.204 199 D CA -0.270 53.522 54.000 -0.348 0.000 0.873 199 D CB 2.617 43.249 40.800 -0.280 0.000 1.645 199 D HN 0.501 nan 8.370 nan 0.000 0.502 200 V N 2.613 122.070 119.914 -0.761 0.000 2.577 200 V HA 0.499 4.619 4.120 -0.001 0.000 0.303 200 V C -1.028 174.577 176.094 -0.815 0.000 1.042 200 V CA -0.697 61.250 62.300 -0.588 0.000 0.872 200 V CB 1.602 33.253 31.823 -0.287 0.000 0.998 200 V HN 0.351 nan 8.190 nan 0.000 0.423 201 F N 4.619 124.489 119.950 -0.134 0.000 2.445 201 F HA 0.571 5.097 4.527 -0.001 0.000 0.348 201 F C 0.242 175.974 175.800 -0.114 0.000 1.125 201 F CA -0.645 57.270 58.000 -0.142 0.000 0.983 201 F CB 1.488 40.365 39.000 -0.204 0.000 1.198 201 F HN 0.264 nan 8.300 nan 0.000 0.436 202 I N 5.187 125.787 120.570 0.051 0.000 2.224 202 I HA 0.212 4.381 4.170 -0.001 0.000 0.293 202 I C 0.056 176.190 176.117 0.028 0.000 1.155 202 I CA -0.622 60.705 61.300 0.046 0.000 1.297 202 I CB -0.232 37.792 38.000 0.040 0.000 1.487 202 I HN 0.359 nan 8.210 nan 0.000 0.564 203 R N 6.239 126.712 120.500 -0.045 0.000 2.458 203 R HA 0.164 4.504 4.340 -0.001 0.000 0.303 203 R C -2.244 174.119 176.300 0.104 0.000 1.013 203 R CA -1.365 54.642 56.100 -0.155 0.000 1.026 203 R CB -0.192 29.733 30.300 -0.626 0.000 0.948 203 R HN 0.300 nan 8.270 nan 0.000 0.417 204 P HA 0.104 nan 4.420 nan 0.000 0.277 204 P C 0.284 177.704 177.300 0.199 0.000 1.271 204 P CA -0.560 62.631 63.100 0.152 0.000 0.795 204 P CB 0.985 32.755 31.700 0.117 0.000 1.101 205 K N 0.661 121.132 120.400 0.119 0.000 2.113 205 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 205 K C 2.036 178.684 176.600 0.080 0.000 1.047 205 K CA 2.423 58.750 56.287 0.068 0.000 0.928 205 K CB -0.514 31.991 32.500 0.009 0.000 0.716 205 K HN 0.503 nan 8.250 nan 0.000 0.446 206 S N -0.328 115.428 115.700 0.094 0.000 2.383 206 S HA -0.208 4.262 4.470 -0.001 0.000 0.229 206 S C 1.819 176.479 174.600 0.100 0.000 1.030 206 S CA 1.041 59.285 58.200 0.075 0.000 1.002 206 S CB -0.826 62.419 63.200 0.077 0.000 0.829 206 S HN 0.643 nan 8.310 nan 0.000 0.467 207 W N 2.183 123.471 121.300 -0.021 0.000 2.381 207 W HA 0.148 4.808 4.660 -0.001 0.000 0.301 207 W C 1.821 178.292 176.519 -0.079 0.000 1.205 207 W CA 0.991 58.308 57.345 -0.046 0.000 1.285 207 W CB -0.291 29.151 29.460 -0.030 0.000 1.133 207 W HN 0.232 nan 8.180 nan 0.000 0.521 208 I N 0.791 121.505 120.570 0.239 0.000 2.208 208 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 208 I C 2.153 178.181 176.117 -0.149 0.000 1.097 208 I CA 1.855 63.190 61.300 0.058 0.000 1.363 208 I CB -0.653 37.446 38.000 0.164 0.000 1.051 208 I HN 0.081 nan 8.210 nan 0.000 0.413 209 E N 0.499 120.637 120.200 -0.104 0.000 2.072 209 E HA -0.261 4.089 4.350 -0.001 0.000 0.191 209 E C 2.083 178.576 176.600 -0.177 0.000 0.985 209 E CA 1.064 57.393 56.400 -0.117 0.000 0.801 209 E CB -0.155 29.501 29.700 -0.072 0.000 0.750 209 E HN 0.488 nan 8.360 nan 0.000 0.452 210 E N 0.871 120.933 120.200 -0.231 0.000 2.110 210 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 210 E C 1.688 178.054 176.600 -0.391 0.000 0.988 210 E CA 0.825 57.056 56.400 -0.281 0.000 0.804 210 E CB 0.198 29.716 29.700 -0.303 0.000 0.745 210 E HN 0.121 nan 8.360 nan 0.000 0.458 211 Q N 0.278 119.719 119.800 -0.598 0.000 2.466 211 Q HA -0.045 4.295 4.340 -0.001 0.000 0.210 211 Q C -0.331 175.465 176.000 -0.340 0.000 0.961 211 Q CA 0.451 55.877 55.803 -0.629 0.000 0.953 211 Q CB 0.203 28.268 28.738 -1.121 0.000 1.011 211 Q HN 0.390 nan 8.270 nan 0.000 0.516 212 E N -0.184 119.872 120.200 -0.239 0.000 2.440 212 E HA -0.224 4.126 4.350 -0.001 0.000 0.246 212 E C -0.509 176.038 176.600 -0.089 0.000 1.165 212 E CA 0.263 56.582 56.400 -0.135 0.000 0.726 212 E CB -1.527 28.109 29.700 -0.107 0.000 1.271 212 E HN 0.416 nan 8.360 nan 0.000 0.397 213 M N 0.283 119.832 119.600 -0.084 0.000 3.586 213 M HA 0.107 4.586 4.480 -0.001 0.000 0.225 213 M C 1.693 178.020 176.300 0.044 0.000 1.428 213 M CA 0.296 55.609 55.300 0.022 0.000 1.613 213 M CB 0.223 32.903 32.600 0.133 0.000 1.063 213 M HN 0.283 nan 8.290 nan 0.000 0.593 214 G N 0.054 108.862 108.800 0.013 0.000 2.432 214 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.219 214 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.219 214 G C 1.597 176.520 174.900 0.038 0.000 1.135 214 G CA 1.042 46.148 45.100 0.010 0.000 0.767 214 G HN 0.537 nan 8.290 nan 0.000 0.550 215 S N -0.349 115.389 115.700 0.064 0.000 2.345 215 S HA -0.101 4.369 4.470 -0.001 0.000 0.220 215 S C 2.045 176.734 174.600 0.149 0.000 1.031 215 S CA 1.228 59.473 58.200 0.076 0.000 0.996 215 S CB -0.413 62.802 63.200 0.025 0.000 0.882 215 S HN 0.312 nan 8.310 nan 0.000 0.445 216 F N 2.506 122.460 119.950 0.008 0.000 2.102 216 F HA 0.008 4.535 4.527 -0.001 0.000 0.298 216 F C 1.817 177.637 175.800 0.033 0.000 1.105 216 F CA 1.324 59.345 58.000 0.036 0.000 1.239 216 F CB -1.063 38.000 39.000 0.104 0.000 0.991 216 F HN 0.208 nan 8.300 nan 0.000 0.474 217 L N 0.293 121.456 121.223 -0.100 0.000 2.079 217 L HA -0.252 4.088 4.340 -0.001 0.000 0.210 217 L C 2.791 179.599 176.870 -0.102 0.000 1.081 217 L CA 1.601 56.306 54.840 -0.226 0.000 0.752 217 L CB -1.045 40.925 42.059 -0.149 0.000 0.896 217 L HN 0.348 nan 8.230 nan 0.000 0.433 218 S N -0.739 114.947 115.700 -0.022 0.000 2.382 218 S HA -0.146 4.324 4.470 -0.001 0.000 0.228 218 S C 1.886 176.488 174.600 0.004 0.000 1.027 218 S CA 1.318 59.515 58.200 -0.004 0.000 0.991 218 S CB -0.761 62.449 63.200 0.017 0.000 0.823 218 S HN 0.186 nan 8.310 nan 0.000 0.469 219 V N 2.497 122.432 119.914 0.034 0.000 2.323 219 V HA -0.021 4.098 4.120 -0.001 0.000 0.244 219 V C 3.187 179.297 176.094 0.027 0.000 1.041 219 V CA 1.581 63.910 62.300 0.048 0.000 1.025 219 V CB -1.508 30.382 31.823 0.111 0.000 0.656 219 V HN 0.670 nan 8.190 nan 0.000 0.451 220 A N 1.224 124.036 122.820 -0.012 0.000 1.933 220 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 220 A C 2.248 179.806 177.584 -0.043 0.000 1.175 220 A CA 1.968 53.976 52.037 -0.048 0.000 0.628 220 A CB -0.522 18.355 19.000 -0.203 0.000 0.814 220 A HN 0.733 nan 8.150 nan 0.000 0.444 221 K N -0.521 119.847 120.400 -0.053 0.000 2.211 221 K HA -0.078 4.242 4.320 -0.001 0.000 0.204 221 K C 1.758 178.351 176.600 -0.013 0.000 1.047 221 K CA 1.533 57.798 56.287 -0.036 0.000 0.935 221 K CB -0.808 31.670 32.500 -0.037 0.000 0.728 221 K HN 0.260 nan 8.250 nan 0.000 0.452 222 G N 1.042 109.842 108.800 -0.001 0.000 2.448 222 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 222 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 222 G C 0.613 175.523 174.900 0.017 0.000 1.127 222 G CA 0.565 45.671 45.100 0.010 0.000 0.766 222 G HN 0.415 nan 8.290 nan 0.000 0.552 223 S N -0.876 114.836 115.700 0.020 0.000 2.654 223 S HA 0.387 4.856 4.470 -0.001 0.000 0.283 223 S C 0.953 175.562 174.600 0.016 0.000 1.180 223 S CA -0.540 57.676 58.200 0.027 0.000 1.021 223 S CB 1.417 64.644 63.200 0.045 0.000 1.018 223 S HN 0.103 nan 8.310 nan 0.000 0.532 224 E N 1.124 121.334 120.200 0.017 0.000 2.435 224 E HA 0.072 4.422 4.350 -0.001 0.000 0.195 224 E C -0.043 176.566 176.600 0.016 0.000 1.029 224 E CA 0.218 56.625 56.400 0.012 0.000 0.865 224 E CB -0.028 29.678 29.700 0.010 0.000 0.833 224 E HN 0.630 nan 8.360 nan 0.000 0.510 225 E N 2.056 122.270 120.200 0.024 0.000 2.299 225 E HA 0.099 4.449 4.350 -0.001 0.000 0.272 225 E C -2.493 174.125 176.600 0.030 0.000 1.043 225 E CA -2.431 53.988 56.400 0.031 0.000 0.895 225 E CB 0.685 30.412 29.700 0.044 0.000 1.011 225 E HN -0.179 nan 8.360 nan 0.000 0.432 226 P HA 0.066 nan 4.420 nan 0.000 0.265 226 P C -2.481 174.845 177.300 0.043 0.000 1.193 226 P CA -0.719 62.398 63.100 0.028 0.000 0.765 226 P CB 0.298 32.019 31.700 0.036 0.000 0.823 227 P HA 0.233 nan 4.420 nan 0.000 0.282 227 P C -1.140 176.237 177.300 0.129 0.000 1.259 227 P CA -0.313 62.820 63.100 0.056 0.000 0.826 227 P CB 1.269 32.889 31.700 -0.135 0.000 1.064 228 V N -1.500 118.563 119.914 0.247 0.000 3.049 228 V HA 0.614 4.734 4.120 -0.001 0.000 0.309 228 V C -1.433 174.894 176.094 0.390 0.000 1.148 228 V CA -0.980 61.478 62.300 0.263 0.000 0.990 228 V CB 2.120 34.044 31.823 0.169 0.000 1.039 228 V HN 0.394 nan 8.190 nan 0.000 0.430 229 F N 4.561 124.655 119.950 0.241 0.000 2.325 229 F HA 0.726 5.253 4.527 -0.000 0.000 0.369 229 F C -0.500 175.324 175.800 0.040 0.000 1.095 229 F CA -1.117 57.003 58.000 0.200 0.000 1.082 229 F CB 1.445 40.629 39.000 0.306 0.000 1.289 229 F HN 0.724 nan 8.300 nan 0.000 0.462 230 L N 5.885 127.093 121.223 -0.025 0.000 2.360 230 L HA 0.313 4.653 4.340 -0.001 0.000 0.276 230 L C -0.405 176.554 176.870 0.148 0.000 1.121 230 L CA 0.440 55.321 54.840 0.069 0.000 0.845 230 L CB 0.524 42.632 42.059 0.082 0.000 1.143 230 L HN 0.694 nan 8.230 nan 0.000 0.452 231 E N 6.367 126.704 120.200 0.229 0.000 2.216 231 E HA 0.462 4.811 4.350 -0.001 0.000 0.260 231 E C -1.298 175.419 176.600 0.195 0.000 0.880 231 E CA -0.636 55.967 56.400 0.338 0.000 0.765 231 E CB 1.091 31.073 29.700 0.469 0.000 1.174 231 E HN 0.688 nan 8.360 nan 0.000 0.417 232 I N 1.053 121.732 120.570 0.182 0.000 2.569 232 I HA 0.560 4.730 4.170 -0.001 0.000 0.296 232 I C -1.063 175.223 176.117 0.281 0.000 1.028 232 I CA -0.898 60.455 61.300 0.089 0.000 1.082 232 I CB 1.881 39.901 38.000 0.034 0.000 1.264 232 I HN 0.515 nan 8.210 nan 0.000 0.429 233 H N 4.496 123.601 119.070 0.059 0.000 2.529 233 H HA 0.378 4.934 4.556 -0.000 0.000 0.348 233 H C -1.799 173.584 175.328 0.091 0.000 1.079 233 H CA -0.739 55.352 56.048 0.072 0.000 1.198 233 H CB 2.563 32.399 29.762 0.123 0.000 1.521 233 H HN 0.680 nan 8.280 nan 0.000 0.514 234 Y N 3.059 123.407 120.300 0.079 0.000 2.338 234 Y HA 0.247 4.797 4.550 -0.000 0.000 0.328 234 Y C -0.773 175.142 175.900 0.024 0.000 0.965 234 Y CA -1.342 56.770 58.100 0.020 0.000 1.208 234 Y CB 0.757 39.197 38.460 -0.034 0.000 1.132 234 Y HN 0.455 nan 8.280 nan 0.000 0.469 235 K N 4.762 124.880 120.400 -0.469 0.000 2.363 235 K HA 0.292 4.612 4.320 -0.001 0.000 0.240 235 K C 1.038 177.261 176.600 -0.628 0.000 1.169 235 K CA 0.148 56.188 56.287 -0.412 0.000 1.131 235 K CB 0.427 32.835 32.500 -0.152 0.000 1.771 235 K HN 0.975 nan 8.250 nan 0.000 0.380 236 G N 0.254 108.464 108.800 -0.983 0.000 2.603 236 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.214 236 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.214 236 G C 0.593 175.376 174.900 -0.195 0.000 1.140 236 G CA -0.079 44.642 45.100 -0.631 0.000 0.800 236 G HN 0.442 nan 8.290 nan 0.000 0.533 237 S N 0.759 116.370 115.700 -0.147 0.000 2.562 237 S HA 0.264 4.734 4.470 -0.001 0.000 0.281 237 S C -0.934 173.643 174.600 -0.039 0.000 1.333 237 S CA -0.986 57.187 58.200 -0.045 0.000 1.052 237 S CB 1.469 64.659 63.200 -0.015 0.000 0.884 237 S HN -0.039 nan 8.310 nan 0.000 0.506 238 P HA -0.030 nan 4.420 nan 0.000 0.220 238 P C -0.207 177.089 177.300 -0.006 0.000 1.148 238 P CA 0.812 63.908 63.100 -0.006 0.000 0.803 238 P CB 0.020 31.722 31.700 0.004 0.000 0.782 239 N N -0.501 118.198 118.700 -0.002 0.000 2.457 239 N HA 0.317 5.056 4.740 -0.001 0.000 0.250 239 N C 0.888 176.397 175.510 -0.000 0.000 0.982 239 N CA -0.288 52.764 53.050 0.003 0.000 0.941 239 N CB 0.593 39.086 38.487 0.011 0.000 1.120 239 N HN -0.212 nan 8.380 nan 0.000 0.505 240 A N 2.577 125.396 122.820 -0.000 0.000 2.024 240 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 240 A C 1.738 179.329 177.584 0.012 0.000 1.164 240 A CA 1.468 53.506 52.037 0.001 0.000 0.643 240 A CB -0.324 18.682 19.000 0.010 0.000 0.806 240 A HN 0.633 nan 8.150 nan 0.000 0.451 241 S N -0.546 115.164 115.700 0.017 0.000 2.593 241 S HA 0.082 4.551 4.470 -0.001 0.000 0.217 241 S C 0.578 175.195 174.600 0.030 0.000 0.966 241 S CA -0.039 58.175 58.200 0.025 0.000 0.914 241 S CB -0.089 63.125 63.200 0.023 0.000 0.776 241 S HN 0.620 nan 8.310 nan 0.000 0.523 242 E N 3.180 123.396 120.200 0.027 0.000 2.493 242 E HA 0.091 4.441 4.350 -0.001 0.000 0.255 242 E C -2.716 173.915 176.600 0.052 0.000 0.999 242 E CA -2.015 54.410 56.400 0.041 0.000 0.934 242 E CB 0.196 29.920 29.700 0.040 0.000 0.940 242 E HN 0.054 nan 8.360 nan 0.000 0.473 243 P HA 0.012 nan 4.420 nan 0.000 0.264 243 P C -2.463 174.886 177.300 0.082 0.000 1.183 243 P CA -0.581 62.569 63.100 0.083 0.000 0.763 243 P CB 0.329 32.089 31.700 0.100 0.000 0.807 244 P HA 0.251 nan 4.420 nan 0.000 0.281 244 P C -1.060 176.262 177.300 0.036 0.000 1.264 244 P CA -0.364 62.755 63.100 0.030 0.000 0.824 244 P CB 0.822 32.505 31.700 -0.028 0.000 1.092 245 L N 0.976 122.215 121.223 0.026 0.000 2.312 245 L HA 0.348 4.688 4.340 -0.001 0.000 0.281 245 L C 0.232 177.178 176.870 0.126 0.000 1.070 245 L CA -0.387 54.484 54.840 0.052 0.000 0.805 245 L CB 1.203 43.297 42.059 0.059 0.000 1.174 245 L HN 0.109 nan 8.230 nan 0.000 0.434 246 V N 3.497 123.462 119.914 0.086 0.000 2.417 246 V HA 0.460 4.580 4.120 -0.001 0.000 0.291 246 V C -0.576 175.615 176.094 0.162 0.000 1.024 246 V CA -0.517 61.837 62.300 0.090 0.000 0.861 246 V CB 1.403 33.206 31.823 -0.033 0.000 0.985 246 V HN 0.352 nan 8.190 nan 0.000 0.436 247 F N 3.519 123.456 119.950 -0.022 0.000 2.469 247 F HA 0.733 5.260 4.527 -0.001 0.000 0.332 247 F C 0.054 175.876 175.800 0.037 0.000 1.103 247 F CA -0.836 57.172 58.000 0.013 0.000 0.979 247 F CB 2.099 41.104 39.000 0.008 0.000 1.137 247 F HN 0.155 nan 8.300 nan 0.000 0.463 248 V N 1.766 121.781 119.914 0.168 0.000 2.656 248 V HA 0.876 4.996 4.120 -0.001 0.000 0.307 248 V C -0.122 176.029 176.094 0.095 0.000 1.051 248 V CA -0.838 61.541 62.300 0.132 0.000 0.893 248 V CB 1.822 33.732 31.823 0.146 0.000 0.999 248 V HN 0.891 nan 8.190 nan 0.000 0.426 249 G N 2.234 111.050 108.800 0.026 0.000 2.617 249 G HA2 0.532 4.491 3.960 -0.001 0.000 0.306 249 G HA3 0.532 4.491 3.960 -0.001 0.000 0.306 249 G C -1.018 173.821 174.900 -0.102 0.000 1.360 249 G CA -0.794 44.303 45.100 -0.005 0.000 0.983 249 G HN 0.693 nan 8.290 nan 0.000 0.496 250 K N 1.176 121.526 120.400 -0.083 0.000 2.378 250 K HA 0.347 4.667 4.320 -0.001 0.000 0.288 250 K C 0.686 177.166 176.600 -0.200 0.000 1.057 250 K CA -0.051 56.154 56.287 -0.135 0.000 0.971 250 K CB 0.390 32.842 32.500 -0.080 0.000 0.975 250 K HN 0.457 nan 8.250 nan 0.000 0.475 251 G N 6.343 114.977 108.800 -0.276 0.000 4.637 251 G HA2 0.219 4.179 3.960 -0.001 0.000 0.308 251 G HA3 0.219 4.179 3.960 -0.001 0.000 0.308 251 G C -0.165 174.585 174.900 -0.249 0.000 1.377 251 G CA -0.510 44.375 45.100 -0.357 0.000 1.176 251 G HN 0.552 nan 8.290 nan 0.000 0.601 252 I N 3.125 123.591 120.570 -0.173 0.000 2.329 252 I HA 0.041 4.211 4.170 -0.001 0.000 0.295 252 I C 1.996 178.051 176.117 -0.103 0.000 1.109 252 I CA 0.127 61.362 61.300 -0.107 0.000 1.297 252 I CB 0.129 38.065 38.000 -0.107 0.000 1.433 252 I HN 0.315 nan 8.210 nan 0.000 0.509 253 T N 3.331 117.851 114.554 -0.058 0.000 2.881 253 T HA -0.129 4.221 4.350 -0.001 0.000 0.270 253 T C 0.351 175.120 174.700 0.115 0.000 1.068 253 T CA 0.954 63.054 62.100 0.001 0.000 1.131 253 T CB -0.027 68.862 68.868 0.035 0.000 0.871 253 T HN 0.330 nan 8.240 nan 0.000 0.479 254 F N 0.702 120.637 119.950 -0.025 0.000 2.622 254 F HA 0.485 5.012 4.527 -0.000 0.000 0.318 254 F C -2.329 173.464 175.800 -0.012 0.000 1.135 254 F CA -1.641 56.350 58.000 -0.014 0.000 1.015 254 F CB 1.968 40.966 39.000 -0.004 0.000 1.275 254 F HN -0.113 nan 8.300 nan 0.000 0.457 255 D N 2.492 122.231 120.400 -1.101 0.000 2.462 255 D HA 0.285 4.924 4.640 -0.001 0.000 0.245 255 D C 0.245 176.119 176.300 -0.711 0.000 1.122 255 D CA 0.006 53.626 54.000 -0.634 0.000 0.864 255 D CB 1.666 42.233 40.800 -0.388 0.000 1.098 255 D HN 0.435 nan 8.370 nan 0.000 0.541 256 S N 2.057 117.630 115.700 -0.212 0.000 2.548 256 S HA 0.319 4.789 4.470 -0.001 0.000 0.215 256 S C 1.656 176.251 174.600 -0.009 0.000 0.976 256 S CA 0.517 58.749 58.200 0.054 0.000 0.908 256 S CB 0.305 63.660 63.200 0.259 0.000 0.781 256 S HN 0.797 nan 8.310 nan 0.000 0.519 257 G N 0.675 109.439 108.800 -0.060 0.000 2.258 257 G HA2 0.124 4.083 3.960 -0.001 0.000 0.233 257 G HA3 0.124 4.083 3.960 -0.001 0.000 0.233 257 G C 1.204 176.094 174.900 -0.018 0.000 1.006 257 G CA 0.280 45.353 45.100 -0.045 0.000 0.620 257 G HN 1.841 nan 8.290 nan 0.000 0.511 258 G N 0.185 108.990 108.800 0.008 0.000 2.525 258 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.248 258 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.248 258 G C 0.861 175.770 174.900 0.015 0.000 1.238 258 G CA 0.395 45.505 45.100 0.016 0.000 0.926 258 G HN 0.967 nan 8.290 nan 0.000 0.574 259 I N 1.279 121.855 120.570 0.010 0.000 2.335 259 I HA -0.070 4.100 4.170 -0.001 0.000 0.251 259 I C 2.202 178.323 176.117 0.006 0.000 1.129 259 I CA 2.094 63.400 61.300 0.009 0.000 1.402 259 I CB -1.315 36.689 38.000 0.007 0.000 1.069 259 I HN 0.336 nan 8.210 nan 0.000 0.424 260 S N 1.741 117.441 115.700 -0.000 0.000 3.983 260 S HA 0.238 4.707 4.470 -0.001 0.000 0.194 260 S C 0.592 175.190 174.600 -0.003 0.000 1.464 260 S CA -0.288 57.910 58.200 -0.004 0.000 1.021 260 S CB -0.753 62.440 63.200 -0.012 0.000 1.424 260 S HN 0.199 nan 8.310 nan 0.000 0.473 261 I N 2.360 122.933 120.570 0.006 0.000 2.815 261 I HA -0.041 4.128 4.170 -0.001 0.000 0.291 261 I C 0.541 176.663 176.117 0.009 0.000 1.209 261 I CA 0.211 61.519 61.300 0.013 0.000 1.431 261 I CB 0.465 38.479 38.000 0.024 0.000 1.351 261 I HN 0.287 nan 8.210 nan 0.000 0.585 262 K N 5.692 126.097 120.400 0.009 0.000 2.138 262 K HA 0.452 4.772 4.320 -0.001 0.000 0.251 262 K C -0.058 176.553 176.600 0.019 0.000 1.015 262 K CA -0.622 55.668 56.287 0.004 0.000 0.917 262 K CB 0.632 33.126 32.500 -0.010 0.000 1.021 262 K HN 0.696 nan 8.250 nan 0.000 0.485 263 A N 0.751 123.580 122.820 0.015 0.000 2.366 263 A HA 0.333 4.652 4.320 -0.001 0.000 0.249 263 A C 1.070 178.673 177.584 0.031 0.000 1.084 263 A CA 0.428 52.477 52.037 0.020 0.000 0.794 263 A CB 0.451 19.459 19.000 0.014 0.000 1.034 263 A HN 0.850 nan 8.150 nan 0.000 0.491 264 A N 1.540 124.379 122.820 0.033 0.000 1.930 264 A HA 0.350 4.669 4.320 -0.001 0.000 0.217 264 A C 1.600 179.209 177.584 0.042 0.000 1.175 264 A CA 1.272 53.335 52.037 0.042 0.000 0.627 264 A CB -1.094 17.927 19.000 0.034 0.000 0.815 264 A HN 2.085 nan 8.150 nan 0.000 0.443 265 A N 0.097 122.935 122.820 0.030 0.000 2.553 265 A HA 0.290 4.610 4.320 -0.001 0.000 0.258 265 A C 0.665 178.268 177.584 0.031 0.000 1.069 265 A CA 0.617 52.670 52.037 0.027 0.000 0.767 265 A CB -1.072 17.940 19.000 0.019 0.000 0.997 265 A HN 0.761 nan 8.150 nan 0.000 0.512 266 N N 0.775 119.497 118.700 0.036 0.000 2.708 266 N HA -0.248 4.492 4.740 -0.001 0.000 0.251 266 N C 0.692 176.234 175.510 0.053 0.000 1.123 266 N CA 1.026 54.101 53.050 0.040 0.000 0.739 266 N CB -1.163 37.340 38.487 0.026 0.000 1.113 266 N HN 0.817 nan 8.380 nan 0.000 0.561 267 M N 0.604 120.249 119.600 0.075 0.000 2.460 267 M HA -0.140 4.340 4.480 -0.001 0.000 0.263 267 M C 1.646 178.062 176.300 0.193 0.000 1.071 267 M CA 1.800 57.163 55.300 0.106 0.000 1.096 267 M CB -0.084 32.607 32.600 0.152 0.000 1.408 267 M HN 0.309 nan 8.290 nan 0.000 0.463 268 D N 0.483 120.990 120.400 0.179 0.000 2.221 268 D HA -0.229 4.411 4.640 -0.001 0.000 0.204 268 D C 1.680 178.094 176.300 0.190 0.000 0.982 268 D CA 1.154 55.282 54.000 0.213 0.000 0.857 268 D CB -0.808 40.062 40.800 0.116 0.000 0.934 268 D HN 0.439 nan 8.370 nan 0.000 0.475 269 L N -0.324 120.961 121.223 0.104 0.000 2.353 269 L HA -0.081 4.259 4.340 -0.001 0.000 0.220 269 L C 2.244 179.126 176.870 0.019 0.000 1.133 269 L CA 0.365 55.238 54.840 0.056 0.000 0.798 269 L CB -0.373 41.701 42.059 0.026 0.000 0.922 269 L HN -0.012 nan 8.230 nan 0.000 0.445 270 M N 0.092 119.677 119.600 -0.025 0.000 2.700 270 M HA -0.089 4.390 4.480 -0.001 0.000 0.249 270 M C 2.064 178.256 176.300 -0.180 0.000 1.082 270 M CA 1.068 56.231 55.300 -0.227 0.000 1.077 270 M CB -0.997 31.269 32.600 -0.557 0.000 1.477 270 M HN 0.379 nan 8.290 nan 0.000 0.529 271 R N -0.201 120.368 120.500 0.114 0.000 2.280 271 R HA 0.161 4.501 4.340 -0.001 0.000 0.207 271 R C 1.334 177.670 176.300 0.060 0.000 1.043 271 R CA 1.175 57.405 56.100 0.217 0.000 1.006 271 R CB -0.447 29.988 30.300 0.224 0.000 0.885 271 R HN 0.196 nan 8.270 nan 0.000 0.467 272 A N 1.045 123.869 122.820 0.006 0.000 2.460 272 A HA 0.070 4.390 4.320 -0.001 0.000 0.258 272 A C 0.607 178.161 177.584 -0.050 0.000 1.300 272 A CA -0.123 51.905 52.037 -0.015 0.000 0.913 272 A CB 0.110 19.106 19.000 -0.005 0.000 1.031 272 A HN 0.189 nan 8.150 nan 0.000 0.512 273 D N 0.111 120.458 120.400 -0.088 0.000 2.371 273 D HA -0.018 4.621 4.640 -0.001 0.000 0.234 273 D C 1.141 177.372 176.300 -0.116 0.000 1.049 273 D CA 0.725 54.657 54.000 -0.113 0.000 0.907 273 D CB 0.057 40.755 40.800 -0.171 0.000 0.891 273 D HN 0.479 nan 8.370 nan 0.000 0.531 274 M N -3.188 116.342 119.600 -0.117 0.000 2.484 274 M HA 0.451 4.931 4.480 -0.001 0.000 0.307 274 M C 1.664 177.887 176.300 -0.128 0.000 1.149 274 M CA -0.400 54.786 55.300 -0.189 0.000 0.972 274 M CB 0.096 32.520 32.600 -0.294 0.000 1.400 274 M HN -0.172 nan 8.290 nan 0.000 0.508 275 G N 0.962 109.726 108.800 -0.059 0.000 2.432 275 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.219 275 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.219 275 G C 1.393 176.293 174.900 -0.000 0.000 1.135 275 G CA 0.751 45.843 45.100 -0.012 0.000 0.767 275 G HN 0.620 nan 8.290 nan 0.000 0.550 276 G N 1.110 109.897 108.800 -0.022 0.000 2.421 276 G HA2 0.034 3.993 3.960 -0.001 0.000 0.216 276 G HA3 0.034 3.993 3.960 -0.001 0.000 0.216 276 G C 2.042 176.950 174.900 0.014 0.000 1.171 276 G CA 1.517 46.619 45.100 0.003 0.000 0.775 276 G HN 0.614 nan 8.290 nan 0.000 0.543 277 A N 1.110 123.899 122.820 -0.052 0.000 1.898 277 A HA 0.316 4.636 4.320 -0.001 0.000 0.216 277 A C 2.821 180.536 177.584 0.218 0.000 1.181 277 A CA 2.165 54.188 52.037 -0.024 0.000 0.620 277 A CB -0.789 17.996 19.000 -0.357 0.000 0.819 277 A HN 0.770 nan 8.150 nan 0.000 0.442 278 A N -0.053 122.899 122.820 0.220 0.000 1.883 278 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 278 A C 2.485 180.144 177.584 0.124 0.000 1.186 278 A CA 2.781 54.997 52.037 0.299 0.000 0.624 278 A CB -1.494 17.634 19.000 0.214 0.000 0.822 278 A HN 0.748 nan 8.150 nan 0.000 0.444 279 T N -0.283 114.319 114.554 0.080 0.000 2.737 279 T HA -0.145 4.205 4.350 -0.001 0.000 0.265 279 T C 1.779 176.514 174.700 0.057 0.000 1.038 279 T CA 1.630 63.759 62.100 0.047 0.000 1.144 279 T CB -0.847 68.050 68.868 0.047 0.000 0.866 279 T HN 0.724 nan 8.240 nan 0.000 0.434 280 I N 0.151 120.787 120.570 0.111 0.000 2.353 280 I HA 0.082 4.252 4.170 -0.001 0.000 0.248 280 I C 2.518 178.643 176.117 0.013 0.000 1.119 280 I CA 0.438 61.830 61.300 0.153 0.000 1.417 280 I CB -1.232 36.948 38.000 0.300 0.000 1.078 280 I HN 0.208 nan 8.210 nan 0.000 0.421 281 C N 0.804 120.132 119.300 0.047 0.000 2.446 281 C HA -0.060 4.400 4.460 -0.001 0.000 0.277 281 C C 3.095 178.023 174.990 -0.103 0.000 1.275 281 C CA 1.401 60.410 59.018 -0.014 0.000 1.727 281 C CB -1.265 26.505 27.740 0.050 0.000 2.010 281 C HN 0.635 nan 8.230 nan 0.000 0.486 282 S N 0.991 116.638 115.700 -0.089 0.000 2.382 282 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 282 S C 2.153 176.645 174.600 -0.180 0.000 1.027 282 S CA 1.294 59.412 58.200 -0.136 0.000 0.991 282 S CB -0.419 62.715 63.200 -0.110 0.000 0.823 282 S HN 0.712 nan 8.310 nan 0.000 0.469 283 A N 1.356 124.071 122.820 -0.174 0.000 1.933 283 A HA -0.021 4.299 4.320 -0.001 0.000 0.218 283 A C 2.035 179.420 177.584 -0.331 0.000 1.175 283 A CA 1.095 52.989 52.037 -0.239 0.000 0.628 283 A CB -0.628 18.262 19.000 -0.183 0.000 0.814 283 A HN 0.498 nan 8.150 nan 0.000 0.444 284 I N -0.701 119.662 120.570 -0.346 0.000 2.286 284 I HA -0.173 3.996 4.170 -0.001 0.000 0.245 284 I C 2.311 178.221 176.117 -0.345 0.000 1.104 284 I CA 0.802 61.881 61.300 -0.369 0.000 1.397 284 I CB -0.293 37.531 38.000 -0.294 0.000 1.072 284 I HN 0.137 nan 8.210 nan 0.000 0.417 285 V N 0.370 120.122 119.914 -0.270 0.000 2.287 285 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 285 V C 2.536 178.459 176.094 -0.284 0.000 1.053 285 V CA 2.285 64.435 62.300 -0.251 0.000 1.027 285 V CB -0.557 31.148 31.823 -0.197 0.000 0.646 285 V HN 0.387 nan 8.190 nan 0.000 0.447 286 S N 0.008 115.536 115.700 -0.286 0.000 2.383 286 S HA -0.129 4.341 4.470 -0.001 0.000 0.227 286 S C 2.194 176.597 174.600 -0.328 0.000 1.026 286 S CA 1.266 59.286 58.200 -0.300 0.000 0.981 286 S CB -0.451 62.535 63.200 -0.358 0.000 0.818 286 S HN 0.656 nan 8.310 nan 0.000 0.472 287 A N 1.630 124.226 122.820 -0.374 0.000 1.933 287 A HA 0.092 4.412 4.320 -0.001 0.000 0.218 287 A C 2.347 179.607 177.584 -0.539 0.000 1.175 287 A CA 1.681 53.496 52.037 -0.370 0.000 0.628 287 A CB -1.024 17.757 19.000 -0.365 0.000 0.814 287 A HN 0.514 nan 8.150 nan 0.000 0.444 288 A N -0.230 122.123 122.820 -0.778 0.000 1.898 288 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 288 A C 2.096 179.480 177.584 -0.335 0.000 1.181 288 A CA 1.654 53.148 52.037 -0.904 0.000 0.620 288 A CB -0.387 18.207 19.000 -0.677 0.000 0.819 288 A HN 0.508 nan 8.150 nan 0.000 0.442 289 K N -0.498 119.753 120.400 -0.248 0.000 2.211 289 K HA 0.033 4.353 4.320 -0.001 0.000 0.203 289 K C 1.462 178.012 176.600 -0.083 0.000 1.050 289 K CA 0.946 57.154 56.287 -0.132 0.000 0.945 289 K CB -0.263 32.162 32.500 -0.125 0.000 0.732 289 K HN 0.463 nan 8.250 nan 0.000 0.451 290 L N 0.853 122.016 121.223 -0.100 0.000 2.554 290 L HA -0.041 4.299 4.340 -0.001 0.000 0.226 290 L C -0.353 176.541 176.870 0.040 0.000 1.137 290 L CA 0.244 55.074 54.840 -0.018 0.000 0.863 290 L CB -0.205 41.851 42.059 -0.005 0.000 0.985 290 L HN 0.243 nan 8.230 nan 0.000 0.451 291 D N 0.528 120.944 120.400 0.027 0.000 2.772 291 D HA -0.188 4.451 4.640 -0.001 0.000 0.233 291 D C 0.111 176.536 176.300 0.209 0.000 1.143 291 D CA 0.560 54.649 54.000 0.148 0.000 0.700 291 D CB -1.469 39.399 40.800 0.113 0.000 1.076 291 D HN 0.282 nan 8.370 nan 0.000 0.430 292 L N 0.938 122.284 121.223 0.205 0.000 2.525 292 L HA 0.057 4.396 4.340 -0.001 0.000 0.278 292 L C -1.008 176.018 176.870 0.259 0.000 1.218 292 L CA -0.836 54.138 54.840 0.224 0.000 0.878 292 L CB -0.066 42.108 42.059 0.191 0.000 1.127 292 L HN -0.160 nan 8.230 nan 0.000 0.492 293 P HA 0.124 nan 4.420 nan 0.000 0.228 293 P C -0.703 176.651 177.300 0.090 0.000 1.748 293 P CA 0.322 63.480 63.100 0.096 0.000 0.909 293 P CB -0.525 31.214 31.700 0.065 0.000 1.882 294 I N -3.005 117.632 120.570 0.113 0.000 2.994 294 I HA 0.535 4.705 4.170 -0.001 0.000 0.306 294 I C -0.910 175.215 176.117 0.013 0.000 1.195 294 I CA -1.461 59.899 61.300 0.101 0.000 1.001 294 I CB 2.091 40.195 38.000 0.174 0.000 1.244 294 I HN -0.313 nan 8.210 nan 0.000 0.437 295 N N 4.240 122.939 118.700 -0.001 0.000 2.455 295 N HA 0.659 5.399 4.740 -0.001 0.000 0.280 295 N C -1.003 174.515 175.510 0.013 0.000 1.055 295 N CA -0.129 52.889 53.050 -0.054 0.000 0.961 295 N CB 1.800 40.260 38.487 -0.045 0.000 1.121 295 N HN 0.544 nan 8.380 nan 0.000 0.476 296 I N 1.070 121.666 120.570 0.043 0.000 2.582 296 I HA 0.384 4.554 4.170 -0.001 0.000 0.292 296 I C -0.592 175.530 176.117 0.008 0.000 1.066 296 I CA -1.038 60.293 61.300 0.050 0.000 1.053 296 I CB 2.267 40.303 38.000 0.060 0.000 1.241 296 I HN -0.063 nan 8.210 nan 0.000 0.421 297 V N 3.569 123.452 119.914 -0.052 0.000 2.495 297 V HA 0.734 4.854 4.120 -0.001 0.000 0.298 297 V C 0.276 176.364 176.094 -0.010 0.000 1.031 297 V CA -0.440 61.783 62.300 -0.127 0.000 0.871 297 V CB 1.917 33.398 31.823 -0.570 0.000 0.988 297 V HN 0.919 nan 8.190 nan 0.000 0.432 298 G N 4.493 113.329 108.800 0.060 0.000 2.470 298 G HA2 0.732 4.692 3.960 -0.001 0.000 0.320 298 G HA3 0.732 4.692 3.960 -0.001 0.000 0.320 298 G C -1.260 173.727 174.900 0.145 0.000 1.245 298 G CA -0.509 44.652 45.100 0.103 0.000 0.935 298 G HN 0.574 nan 8.290 nan 0.000 0.476 299 L N 1.592 122.908 121.223 0.154 0.000 2.381 299 L HA 0.734 5.074 4.340 -0.001 0.000 0.274 299 L C -0.040 176.774 176.870 -0.094 0.000 0.988 299 L CA -0.992 53.947 54.840 0.164 0.000 0.824 299 L CB 2.369 44.675 42.059 0.411 0.000 1.263 299 L HN 0.634 nan 8.230 nan 0.000 0.410 300 A N 4.743 127.341 122.820 -0.370 0.000 2.569 300 A HA 0.667 4.987 4.320 -0.001 0.000 0.282 300 A C -2.739 174.396 177.584 -0.749 0.000 1.165 300 A CA -1.261 50.520 52.037 -0.427 0.000 0.747 300 A CB 0.936 19.839 19.000 -0.163 0.000 1.215 300 A HN 0.328 nan 8.150 nan 0.000 0.431 301 P HA 0.396 nan 4.420 nan 0.000 0.276 301 P C -0.909 176.044 177.300 -0.580 0.000 1.243 301 P CA 0.152 62.583 63.100 -1.115 0.000 0.768 301 P CB 1.027 31.821 31.700 -1.511 0.000 0.856 302 L N 5.363 126.500 121.223 -0.145 0.000 2.356 302 L HA 0.643 4.983 4.340 -0.001 0.000 0.277 302 L C 0.443 177.449 176.870 0.226 0.000 0.996 302 L CA -0.386 54.438 54.840 -0.026 0.000 0.822 302 L CB 1.751 43.757 42.059 -0.090 0.000 1.256 302 L HN 0.657 nan 8.230 nan 0.000 0.413 303 C N -0.102 119.291 119.300 0.154 0.000 3.259 303 C HA 0.576 5.036 4.460 -0.001 0.000 0.344 303 C C -0.998 174.049 174.990 0.095 0.000 1.401 303 C CA -0.976 58.140 59.018 0.163 0.000 1.219 303 C CB 1.505 29.393 27.740 0.248 0.000 1.521 303 C HN 0.857 nan 8.230 nan 0.000 0.455 304 E N 0.836 121.090 120.200 0.090 0.000 2.222 304 E HA 0.484 4.834 4.350 -0.001 0.000 0.267 304 E C -1.106 175.540 176.600 0.077 0.000 0.963 304 E CA -0.482 55.976 56.400 0.098 0.000 0.837 304 E CB 1.355 31.134 29.700 0.131 0.000 1.183 304 E HN 0.579 nan 8.360 nan 0.000 0.403 305 N N 2.075 120.815 118.700 0.065 0.000 2.564 305 N HA 0.213 4.953 4.740 -0.001 0.000 0.248 305 N C -1.488 174.065 175.510 0.072 0.000 0.986 305 N CA -0.223 52.850 53.050 0.038 0.000 0.921 305 N CB 0.474 38.952 38.487 -0.016 0.000 1.136 305 N HN 0.361 nan 8.380 nan 0.000 0.509 306 M N 2.773 122.417 119.600 0.073 0.000 2.591 306 M HA 0.549 5.029 4.480 -0.001 0.000 0.306 306 M C -2.549 173.782 176.300 0.051 0.000 1.190 306 M CA -2.076 53.275 55.300 0.085 0.000 0.889 306 M CB 1.996 34.647 32.600 0.086 0.000 1.728 306 M HN 0.299 nan 8.290 nan 0.000 0.458 307 P HA 0.434 nan 4.420 nan 0.000 0.290 307 P C -1.024 176.291 177.300 0.026 0.000 1.276 307 P CA -0.110 63.009 63.100 0.032 0.000 0.808 307 P CB 1.420 33.140 31.700 0.034 0.000 0.966 308 S N 0.588 116.298 115.700 0.018 0.000 2.669 308 S HA 0.455 4.924 4.470 -0.001 0.000 0.266 308 S C 0.993 175.599 174.600 0.009 0.000 1.149 308 S CA -0.176 58.032 58.200 0.014 0.000 0.842 308 S CB 0.227 63.435 63.200 0.013 0.000 1.160 308 S HN 0.376 nan 8.310 nan 0.000 0.487 309 G N 0.429 109.233 108.800 0.007 0.000 2.679 309 G HA2 0.108 4.068 3.960 -0.001 0.000 0.212 309 G HA3 0.108 4.068 3.960 -0.001 0.000 0.212 309 G C 0.754 175.656 174.900 0.003 0.000 1.137 309 G CA 0.700 45.803 45.100 0.005 0.000 0.787 309 G HN 0.914 nan 8.290 nan 0.000 0.534 310 K N -0.850 119.552 120.400 0.003 0.000 2.533 310 K HA 0.629 4.948 4.320 -0.001 0.000 0.202 310 K C 0.617 177.217 176.600 0.000 0.000 1.096 310 K CA -0.261 56.026 56.287 -0.000 0.000 1.056 310 K CB 0.864 33.362 32.500 -0.003 0.000 0.890 310 K HN 0.088 nan 8.250 nan 0.000 0.552 311 A N 1.622 124.444 122.820 0.004 0.000 2.346 311 A HA 0.178 4.498 4.320 -0.001 0.000 0.252 311 A C -0.347 177.240 177.584 0.004 0.000 1.089 311 A CA -0.420 51.620 52.037 0.005 0.000 0.797 311 A CB -0.064 18.943 19.000 0.011 0.000 1.047 311 A HN 0.481 nan 8.150 nan 0.000 0.494 312 N N 0.041 118.743 118.700 0.004 0.000 2.356 312 N HA 0.077 4.816 4.740 -0.001 0.000 0.252 312 N C -0.508 175.005 175.510 0.004 0.000 1.241 312 N CA 0.741 53.794 53.050 0.004 0.000 0.861 312 N CB 0.229 38.718 38.487 0.003 0.000 1.075 312 N HN 0.488 nan 8.380 nan 0.000 0.461 313 K N 3.324 123.726 120.400 0.004 0.000 2.221 313 K HA 0.373 4.693 4.320 -0.001 0.000 0.258 313 K C -2.563 174.040 176.600 0.005 0.000 0.944 313 K CA -1.798 54.491 56.287 0.004 0.000 0.823 313 K CB 1.867 34.370 32.500 0.005 0.000 1.113 313 K HN 0.293 nan 8.250 nan 0.000 0.431 314 P HA -0.101 nan 4.420 nan 0.000 0.262 314 P C 0.645 177.949 177.300 0.007 0.000 1.182 314 P CA 1.199 64.301 63.100 0.003 0.000 0.761 314 P CB 0.549 32.250 31.700 0.002 0.000 0.795 315 G N 2.095 110.900 108.800 0.009 0.000 2.234 315 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.235 315 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.235 315 G C 0.056 174.965 174.900 0.015 0.000 0.997 315 G CA -0.280 44.827 45.100 0.012 0.000 0.623 315 G HN 0.498 nan 8.290 nan 0.000 0.514 316 D N 0.433 120.842 120.400 0.015 0.000 2.449 316 D HA 0.422 5.062 4.640 -0.001 0.000 0.236 316 D C 0.451 176.767 176.300 0.026 0.000 1.149 316 D CA 0.357 54.367 54.000 0.017 0.000 0.878 316 D CB 1.582 42.391 40.800 0.014 0.000 1.198 316 D HN 0.239 nan 8.370 nan 0.000 0.446 317 V N 2.708 122.637 119.914 0.026 0.000 2.384 317 V HA 0.379 4.499 4.120 -0.001 0.000 0.287 317 V C 0.193 176.309 176.094 0.036 0.000 1.020 317 V CA -0.721 61.600 62.300 0.036 0.000 0.850 317 V CB 1.566 33.407 31.823 0.030 0.000 0.987 317 V HN 0.399 nan 8.190 nan 0.000 0.436 318 V N 2.881 122.826 119.914 0.051 0.000 2.919 318 V HA 0.726 4.846 4.120 -0.001 0.000 0.316 318 V C -0.357 175.772 176.094 0.058 0.000 1.077 318 V CA -1.145 61.182 62.300 0.046 0.000 0.977 318 V CB 1.912 33.763 31.823 0.046 0.000 1.039 318 V HN 0.861 nan 8.190 nan 0.000 0.441 319 R N 2.246 122.772 120.500 0.043 0.000 2.295 319 R HA 0.765 5.105 4.340 -0.001 0.000 0.324 319 R C 0.096 176.427 176.300 0.051 0.000 0.968 319 R CA -0.016 56.113 56.100 0.048 0.000 0.837 319 R CB 1.264 31.578 30.300 0.024 0.000 1.133 319 R HN 1.206 nan 8.270 nan 0.000 0.450 320 A N 3.336 126.208 122.820 0.085 0.000 2.327 320 A HA 0.135 4.455 4.320 -0.001 0.000 0.255 320 A C 1.102 178.721 177.584 0.058 0.000 1.099 320 A CA -0.335 51.743 52.037 0.068 0.000 0.801 320 A CB 0.463 19.542 19.000 0.131 0.000 1.062 320 A HN 1.051 nan 8.150 nan 0.000 0.496 321 R N 0.325 120.848 120.500 0.039 0.000 2.117 321 R HA -0.193 4.147 4.340 -0.001 0.000 0.243 321 R C 1.204 177.519 176.300 0.024 0.000 1.143 321 R CA 2.105 58.214 56.100 0.014 0.000 0.968 321 R CB -0.295 30.014 30.300 0.015 0.000 0.863 321 R HN 0.906 nan 8.270 nan 0.000 0.444 322 N N -0.565 118.176 118.700 0.068 0.000 2.449 322 N HA 0.019 4.759 4.740 -0.001 0.000 0.191 322 N C 0.926 176.444 175.510 0.014 0.000 1.161 322 N CA 1.045 54.115 53.050 0.033 0.000 0.863 322 N CB 0.416 38.925 38.487 0.037 0.000 0.980 322 N HN 0.406 nan 8.380 nan 0.000 0.458 323 G N -0.166 108.651 108.800 0.029 0.000 2.199 323 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.254 323 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.254 323 G C -0.054 174.857 174.900 0.019 0.000 0.982 323 G CA 0.339 45.445 45.100 0.011 0.000 0.632 323 G HN 0.645 nan 8.290 nan 0.000 0.529 324 K N 1.933 122.362 120.400 0.048 0.000 2.350 324 K HA 0.472 4.792 4.320 -0.001 0.000 0.279 324 K C 0.931 177.586 176.600 0.092 0.000 1.027 324 K CA 0.408 56.712 56.287 0.030 0.000 0.969 324 K CB 0.282 32.755 32.500 -0.045 0.000 0.954 324 K HN 0.319 nan 8.250 nan 0.000 0.474 325 T N 1.617 116.202 114.554 0.051 0.000 2.882 325 T HA 0.500 4.850 4.350 -0.001 0.000 0.287 325 T C 0.208 174.973 174.700 0.108 0.000 0.992 325 T CA -0.797 61.345 62.100 0.070 0.000 1.076 325 T CB 0.642 69.532 68.868 0.037 0.000 0.961 325 T HN 0.429 nan 8.240 nan 0.000 0.490 326 I N 1.870 122.523 120.570 0.139 0.000 2.466 326 I HA 0.322 4.492 4.170 -0.001 0.000 0.289 326 I C -0.040 176.162 176.117 0.142 0.000 1.026 326 I CA -0.881 60.539 61.300 0.200 0.000 1.078 326 I CB 2.291 40.472 38.000 0.302 0.000 1.249 326 I HN 0.664 nan 8.210 nan 0.000 0.429 327 Q N 5.481 125.362 119.800 0.134 0.000 2.322 327 Q HA 0.348 4.688 4.340 -0.001 0.000 0.256 327 Q C -1.113 174.934 176.000 0.079 0.000 0.960 327 Q CA -0.542 55.311 55.803 0.084 0.000 0.934 327 Q CB 1.405 30.180 28.738 0.062 0.000 1.200 327 Q HN 0.560 nan 8.270 nan 0.000 0.435 328 V N 5.702 125.646 119.914 0.050 0.000 2.223 328 V HA 0.008 4.127 4.120 -0.001 0.000 0.249 328 V C 0.268 176.367 176.094 0.008 0.000 1.233 328 V CA -0.093 62.220 62.300 0.022 0.000 1.131 328 V CB 0.432 32.264 31.823 0.014 0.000 1.298 328 V HN 0.827 nan 8.190 nan 0.000 0.498 329 D N 1.923 122.327 120.400 0.006 0.000 2.224 329 D HA -0.031 4.609 4.640 -0.001 0.000 0.205 329 D C 0.921 177.215 176.300 -0.009 0.000 0.965 329 D CA 1.124 55.124 54.000 0.001 0.000 0.852 329 D CB 0.205 41.007 40.800 0.003 0.000 0.947 329 D HN 0.499 nan 8.370 nan 0.000 0.494 330 N N -0.439 118.246 118.700 -0.024 0.000 2.519 330 N HA 0.008 4.748 4.740 -0.001 0.000 0.286 330 N C 0.545 176.030 175.510 -0.042 0.000 1.079 330 N CA 0.066 53.098 53.050 -0.030 0.000 0.878 330 N CB 1.527 39.992 38.487 -0.036 0.000 1.375 330 N HN -0.141 nan 8.380 nan 0.000 0.514 331 T N -0.669 113.867 114.554 -0.030 0.000 3.098 331 T HA -0.082 4.268 4.350 -0.001 0.000 0.266 331 T C 0.903 175.577 174.700 -0.044 0.000 1.145 331 T CA 0.849 62.931 62.100 -0.031 0.000 1.092 331 T CB 0.078 68.937 68.868 -0.015 0.000 0.908 331 T HN 0.314 nan 8.240 nan 0.000 0.526 332 D N 1.350 121.720 120.400 -0.050 0.000 2.340 332 D HA 0.266 4.906 4.640 -0.001 0.000 0.220 332 D C 1.061 177.311 176.300 -0.084 0.000 1.039 332 D CA 0.088 54.051 54.000 -0.062 0.000 0.866 332 D CB -0.211 40.558 40.800 -0.052 0.000 0.913 332 D HN 0.542 nan 8.370 nan 0.000 0.523 333 A N 1.086 123.846 122.820 -0.100 0.000 3.282 333 A HA 0.160 4.480 4.320 -0.001 0.000 0.287 333 A C 1.355 178.837 177.584 -0.171 0.000 1.366 333 A CA -0.374 51.575 52.037 -0.147 0.000 1.069 333 A CB -0.188 18.707 19.000 -0.176 0.000 1.109 333 A HN 0.154 nan 8.150 nan 0.000 0.638 334 E N 0.102 120.229 120.200 -0.123 0.000 2.318 334 E HA -0.029 4.321 4.350 -0.001 0.000 0.193 334 E C 1.469 178.008 176.600 -0.102 0.000 0.998 334 E CA 1.195 57.537 56.400 -0.096 0.000 0.859 334 E CB -0.807 28.862 29.700 -0.053 0.000 0.812 334 E HN 0.370 nan 8.360 nan 0.000 0.492 335 G N 2.780 111.509 108.800 -0.118 0.000 2.418 335 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.217 335 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.217 335 G C 1.872 176.697 174.900 -0.123 0.000 1.158 335 G CA 1.236 46.271 45.100 -0.108 0.000 0.771 335 G HN 0.458 nan 8.290 nan 0.000 0.545 336 R N 0.216 120.599 120.500 -0.196 0.000 2.148 336 R HA 0.173 4.513 4.340 -0.001 0.000 0.227 336 R C 2.243 178.460 176.300 -0.139 0.000 1.103 336 R CA 0.802 56.770 56.100 -0.219 0.000 0.983 336 R CB -0.583 29.388 30.300 -0.548 0.000 0.874 336 R HN 0.374 nan 8.270 nan 0.000 0.451 337 L N 1.662 122.783 121.223 -0.170 0.000 2.027 337 L HA -0.082 4.258 4.340 -0.001 0.000 0.206 337 L C 2.798 179.653 176.870 -0.025 0.000 1.074 337 L CA 1.437 56.243 54.840 -0.056 0.000 0.745 337 L CB -0.583 41.456 42.059 -0.033 0.000 0.898 337 L HN 0.278 nan 8.230 nan 0.000 0.433 338 I N -2.355 118.200 120.570 -0.024 0.000 2.439 338 I HA -0.210 3.960 4.170 -0.001 0.000 0.251 338 I C 2.251 178.292 176.117 -0.126 0.000 1.139 338 I CA 1.286 62.550 61.300 -0.059 0.000 1.438 338 I CB -0.257 37.639 38.000 -0.173 0.000 1.085 338 I HN 0.138 nan 8.210 nan 0.000 0.427 339 L N 1.448 122.613 121.223 -0.096 0.000 2.217 339 L HA -0.045 4.295 4.340 -0.001 0.000 0.211 339 L C 3.083 179.917 176.870 -0.060 0.000 1.107 339 L CA 1.020 55.830 54.840 -0.050 0.000 0.783 339 L CB -0.659 41.393 42.059 -0.012 0.000 0.919 339 L HN 0.366 nan 8.230 nan 0.000 0.442 340 A N 0.105 122.807 122.820 -0.197 0.000 1.883 340 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 340 A C 1.958 179.360 177.584 -0.304 0.000 1.186 340 A CA 2.128 53.793 52.037 -0.620 0.000 0.624 340 A CB -0.483 17.723 19.000 -1.324 0.000 0.822 340 A HN 0.339 nan 8.150 nan 0.000 0.444 341 D N -0.303 120.025 120.400 -0.120 0.000 2.149 341 D HA 0.024 4.664 4.640 -0.001 0.000 0.201 341 D C 2.248 178.674 176.300 0.210 0.000 0.972 341 D CA 1.383 55.417 54.000 0.057 0.000 0.835 341 D CB -0.364 40.519 40.800 0.138 0.000 0.966 341 D HN 0.416 nan 8.370 nan 0.000 0.476 342 A N 0.686 123.659 122.820 0.254 0.000 1.898 342 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 342 A C 2.377 180.198 177.584 0.395 0.000 1.181 342 A CA 0.749 53.062 52.037 0.460 0.000 0.620 342 A CB -0.694 18.459 19.000 0.255 0.000 0.819 342 A HN 0.180 nan 8.150 nan 0.000 0.442 343 L N -0.911 120.456 121.223 0.240 0.000 2.093 343 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 343 L C 2.706 179.792 176.870 0.361 0.000 1.085 343 L CA 1.079 56.062 54.840 0.238 0.000 0.755 343 L CB -0.625 41.507 42.059 0.122 0.000 0.904 343 L HN 0.487 nan 8.230 nan 0.000 0.435 344 C N -1.209 118.256 119.300 0.276 0.000 2.432 344 C HA -0.238 4.222 4.460 -0.001 0.000 0.277 344 C C 2.736 177.921 174.990 0.325 0.000 1.249 344 C CA 0.575 59.729 59.018 0.227 0.000 1.725 344 C CB -0.779 27.052 27.740 0.151 0.000 2.028 344 C HN 0.528 nan 8.230 nan 0.000 0.477 345 Y N 2.143 122.568 120.300 0.208 0.000 2.224 345 Y HA -0.113 4.436 4.550 -0.000 0.000 0.289 345 Y C 2.420 178.538 175.900 0.363 0.000 1.146 345 Y CA 1.131 59.358 58.100 0.211 0.000 1.182 345 Y CB -0.741 37.841 38.460 0.205 0.000 0.983 345 Y HN 0.264 nan 8.280 nan 0.000 0.524 346 A N -0.567 122.495 122.820 0.404 0.000 1.978 346 A HA -0.258 4.062 4.320 -0.001 0.000 0.220 346 A C 1.755 179.484 177.584 0.242 0.000 1.170 346 A CA 2.078 54.320 52.037 0.341 0.000 0.636 346 A CB -1.097 18.025 19.000 0.203 0.000 0.810 346 A HN 0.681 nan 8.150 nan 0.000 0.448 347 H N -0.167 118.983 119.070 0.132 0.000 2.491 347 H HA -0.046 4.510 4.556 -0.001 0.000 0.290 347 H C 2.429 177.766 175.328 0.014 0.000 1.050 347 H CA 1.731 57.840 56.048 0.103 0.000 1.309 347 H CB -0.385 29.422 29.762 0.077 0.000 1.392 347 H HN 0.674 nan 8.280 nan 0.000 0.554 348 T N -2.009 112.521 114.554 -0.039 0.000 3.051 348 T HA -0.136 4.214 4.350 -0.001 0.000 0.269 348 T C 1.224 175.685 174.700 -0.398 0.000 1.127 348 T CA 0.753 62.685 62.100 -0.280 0.000 1.107 348 T CB -0.485 68.075 68.868 -0.514 0.000 0.898 348 T HN 0.205 nan 8.240 nan 0.000 0.517 349 F N 1.500 121.396 119.950 -0.090 0.000 2.765 349 F HA 0.365 4.892 4.527 -0.001 0.000 0.302 349 F C 1.120 176.910 175.800 -0.016 0.000 1.111 349 F CA -0.783 57.173 58.000 -0.074 0.000 1.359 349 F CB -0.880 38.061 39.000 -0.099 0.000 1.097 349 F HN 0.160 nan 8.300 nan 0.000 0.577 350 N N 0.888 119.672 118.700 0.139 0.000 2.699 350 N HA -0.164 4.575 4.740 -0.001 0.000 0.256 350 N C -2.568 173.044 175.510 0.171 0.000 0.993 350 N CA 0.008 53.139 53.050 0.135 0.000 0.759 350 N CB -0.589 37.949 38.487 0.085 0.000 0.906 350 N HN 0.105 nan 8.380 nan 0.000 0.541 351 P HA 0.013 nan 4.420 nan 0.000 0.272 351 P C 0.144 177.612 177.300 0.281 0.000 1.230 351 P CA -0.044 63.152 63.100 0.159 0.000 0.788 351 P CB 0.794 32.514 31.700 0.033 0.000 0.949 352 K N 0.123 120.646 120.400 0.205 0.000 2.167 352 K HA 0.078 4.398 4.320 -0.001 0.000 0.203 352 K C 0.877 177.670 176.600 0.322 0.000 1.052 352 K CA 1.097 57.543 56.287 0.265 0.000 0.956 352 K CB -0.108 32.541 32.500 0.247 0.000 0.735 352 K HN 0.481 nan 8.250 nan 0.000 0.451 353 V N -2.052 117.921 119.914 0.099 0.000 3.178 353 V HA 0.523 4.643 4.120 -0.001 0.000 0.302 353 V C -1.348 174.588 176.094 -0.263 0.000 1.262 353 V CA -1.164 61.118 62.300 -0.031 0.000 1.030 353 V CB 2.127 34.054 31.823 0.173 0.000 1.074 353 V HN -0.050 nan 8.190 nan 0.000 0.438 354 I N 3.195 123.585 120.570 -0.300 0.000 2.478 354 I HA 0.572 4.742 4.170 -0.001 0.000 0.287 354 I C -1.048 175.029 176.117 -0.066 0.000 1.042 354 I CA -0.388 60.804 61.300 -0.179 0.000 1.067 354 I CB 1.949 39.849 38.000 -0.166 0.000 1.233 354 I HN 0.538 nan 8.210 nan 0.000 0.431 355 I N 6.919 127.323 120.570 -0.277 0.000 2.447 355 I HA 0.330 4.500 4.170 -0.001 0.000 0.287 355 I C -0.609 175.375 176.117 -0.222 0.000 1.023 355 I CA -0.584 60.483 61.300 -0.388 0.000 1.083 355 I CB 1.825 39.303 38.000 -0.870 0.000 1.245 355 I HN 0.615 nan 8.210 nan 0.000 0.434 356 N N 5.712 124.416 118.700 0.006 0.000 2.335 356 N HA 0.814 5.553 4.740 -0.001 0.000 0.304 356 N C -1.386 174.185 175.510 0.101 0.000 1.135 356 N CA -0.579 52.542 53.050 0.119 0.000 0.817 356 N CB 2.976 41.635 38.487 0.286 0.000 1.294 356 N HN 0.553 nan 8.380 nan 0.000 0.497 357 A N 0.246 123.127 122.820 0.102 0.000 2.414 357 A HA 0.887 5.207 4.320 -0.001 0.000 0.306 357 A C -1.214 176.425 177.584 0.092 0.000 1.054 357 A CA -0.563 51.520 52.037 0.076 0.000 0.724 357 A CB 1.591 20.623 19.000 0.053 0.000 1.267 357 A HN 1.104 nan 8.150 nan 0.000 0.418 358 A N 0.666 123.541 122.820 0.092 0.000 2.577 358 A HA 0.660 4.980 4.320 -0.001 0.000 0.297 358 A C -0.205 177.411 177.584 0.053 0.000 1.060 358 A CA 0.136 52.217 52.037 0.073 0.000 0.697 358 A CB 0.560 19.629 19.000 0.115 0.000 1.281 358 A HN 1.754 nan 8.150 nan 0.000 0.402 359 T N 1.187 115.747 114.554 0.010 0.000 4.098 359 T HA 0.318 4.668 4.350 -0.001 0.000 0.291 359 T C 0.844 175.543 174.700 -0.002 0.000 1.440 359 T CA -0.074 62.024 62.100 -0.003 0.000 1.164 359 T CB -0.361 68.490 68.868 -0.029 0.000 1.313 359 T HN 0.579 nan 8.240 nan 0.000 0.951 360 L N 2.501 123.747 121.223 0.038 0.000 2.095 360 L HA 0.239 4.579 4.340 -0.001 0.000 0.204 360 L C 1.194 178.064 176.870 -0.000 0.000 1.080 360 L CA 1.329 56.187 54.840 0.030 0.000 0.759 360 L CB -0.087 42.040 42.059 0.113 0.000 0.914 360 L HN 0.847 nan 8.230 nan 0.000 0.439 361 T N -5.505 109.059 114.554 0.016 0.000 2.916 361 T HA 0.509 4.859 4.350 -0.001 0.000 0.305 361 T C 0.785 175.485 174.700 0.001 0.000 1.119 361 T CA -0.329 61.771 62.100 -0.000 0.000 1.008 361 T CB 1.302 70.175 68.868 0.008 0.000 1.129 361 T HN 0.044 nan 8.240 nan 0.000 0.480 362 G N 0.487 109.282 108.800 -0.009 0.000 2.484 362 G HA2 0.165 4.125 3.960 -0.001 0.000 0.218 362 G HA3 0.165 4.125 3.960 -0.001 0.000 0.218 362 G C 1.567 176.466 174.900 -0.000 0.000 1.130 362 G CA 0.619 45.714 45.100 -0.008 0.000 0.784 362 G HN 1.155 nan 8.290 nan 0.000 0.543 363 A N 0.472 123.296 122.820 0.006 0.000 1.933 363 A HA -0.030 4.290 4.320 -0.001 0.000 0.218 363 A C 2.249 179.842 177.584 0.016 0.000 1.175 363 A CA 2.088 54.133 52.037 0.013 0.000 0.628 363 A CB -0.305 18.706 19.000 0.019 0.000 0.814 363 A HN 0.381 nan 8.150 nan 0.000 0.444 364 M N 0.138 119.755 119.600 0.028 0.000 2.159 364 M HA -0.113 4.367 4.480 -0.001 0.000 0.263 364 M C 1.529 177.830 176.300 0.001 0.000 1.063 364 M CA 2.276 57.595 55.300 0.032 0.000 1.110 364 M CB -0.561 32.072 32.600 0.055 0.000 1.374 364 M HN 0.484 nan 8.290 nan 0.000 0.411 365 D N -0.457 119.941 120.400 -0.003 0.000 2.117 365 D HA -0.146 4.494 4.640 -0.001 0.000 0.198 365 D C 1.772 178.058 176.300 -0.023 0.000 0.982 365 D CA 1.338 55.330 54.000 -0.014 0.000 0.828 365 D CB 0.015 40.808 40.800 -0.012 0.000 0.967 365 D HN 0.341 nan 8.370 nan 0.000 0.464 366 I N 0.822 121.382 120.570 -0.017 0.000 2.361 366 I HA -0.137 4.033 4.170 -0.001 0.000 0.251 366 I C 2.364 178.460 176.117 -0.034 0.000 1.133 366 I CA 0.963 62.251 61.300 -0.021 0.000 1.413 366 I CB -1.445 36.549 38.000 -0.010 0.000 1.073 366 I HN 0.087 nan 8.210 nan 0.000 0.424 367 A N 0.541 123.341 122.820 -0.034 0.000 1.840 367 A HA -0.023 4.297 4.320 -0.001 0.000 0.214 367 A C 2.121 179.645 177.584 -0.100 0.000 1.198 367 A CA 1.217 53.221 52.037 -0.056 0.000 0.608 367 A CB -0.397 18.580 19.000 -0.038 0.000 0.839 367 A HN 0.417 nan 8.150 nan 0.000 0.443 368 L N -2.212 118.953 121.223 -0.097 0.000 3.086 368 L HA 0.349 4.689 4.340 -0.001 0.000 0.274 368 L C 1.411 178.220 176.870 -0.101 0.000 1.184 368 L CA 0.093 54.849 54.840 -0.141 0.000 1.002 368 L CB -0.056 41.910 42.059 -0.156 0.000 1.383 368 L HN 0.647 nan 8.230 nan 0.000 0.582 369 G N 1.835 110.596 108.800 -0.065 0.000 2.582 369 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.288 369 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.288 369 G C 0.711 175.589 174.900 -0.037 0.000 1.247 369 G CA 0.557 45.628 45.100 -0.048 0.000 0.972 369 G HN 0.429 nan 8.290 nan 0.000 0.557 370 S N 0.393 116.074 115.700 -0.032 0.000 2.597 370 S HA 0.417 4.887 4.470 -0.001 0.000 0.224 370 S C 2.100 176.692 174.600 -0.013 0.000 0.955 370 S CA 0.960 59.151 58.200 -0.016 0.000 0.933 370 S CB 0.592 63.784 63.200 -0.012 0.000 0.788 370 S HN 1.797 nan 8.310 nan 0.000 0.488 371 G N 1.226 110.000 108.800 -0.043 0.000 2.408 371 G HA2 0.417 4.376 3.960 -0.001 0.000 0.217 371 G HA3 0.417 4.376 3.960 -0.001 0.000 0.217 371 G C 0.403 175.294 174.900 -0.015 0.000 1.150 371 G CA 0.583 45.648 45.100 -0.058 0.000 0.776 371 G HN 1.042 nan 8.290 nan 0.000 0.542 372 A N -2.024 120.797 122.820 0.002 0.000 2.608 372 A HA 0.620 4.940 4.320 -0.001 0.000 0.292 372 A C -0.552 177.077 177.584 0.075 0.000 1.066 372 A CA -0.458 51.628 52.037 0.080 0.000 0.676 372 A CB 0.516 19.617 19.000 0.168 0.000 1.277 372 A HN 0.047 nan 8.150 nan 0.000 0.413 373 T N 1.393 116.005 114.554 0.097 0.000 2.884 373 T HA 0.491 4.841 4.350 -0.001 0.000 0.298 373 T C 0.769 175.506 174.700 0.062 0.000 0.998 373 T CA 0.833 62.968 62.100 0.058 0.000 1.124 373 T CB 0.924 69.820 68.868 0.045 0.000 0.931 373 T HN 1.167 nan 8.240 nan 0.000 0.531 374 G N 1.849 110.648 108.800 -0.002 0.000 2.355 374 G HA2 0.479 4.439 3.960 -0.001 0.000 0.276 374 G HA3 0.479 4.439 3.960 -0.001 0.000 0.276 374 G C -0.626 174.170 174.900 -0.173 0.000 1.198 374 G CA -0.373 44.673 45.100 -0.089 0.000 0.876 374 G HN 0.641 nan 8.290 nan 0.000 0.478 375 V N 3.235 122.991 119.914 -0.263 0.000 2.378 375 V HA 0.401 4.521 4.120 -0.001 0.000 0.288 375 V C -0.851 174.972 176.094 -0.452 0.000 1.016 375 V CA -0.626 61.537 62.300 -0.228 0.000 0.840 375 V CB 0.932 32.790 31.823 0.058 0.000 0.994 375 V HN 0.573 nan 8.190 nan 0.000 0.431 376 F N 2.985 122.748 119.950 -0.311 0.000 2.411 376 F HA 0.697 5.224 4.527 -0.001 0.000 0.352 376 F C 0.474 176.026 175.800 -0.413 0.000 1.123 376 F CA -0.218 57.601 58.000 -0.301 0.000 1.044 376 F CB 2.035 40.928 39.000 -0.178 0.000 1.135 376 F HN 0.443 nan 8.300 nan 0.000 0.461 377 T N 1.830 116.295 114.554 -0.148 0.000 2.932 377 T HA 0.230 4.580 4.350 -0.001 0.000 0.318 377 T C 0.047 174.770 174.700 0.038 0.000 1.265 377 T CA -0.866 61.148 62.100 -0.144 0.000 1.036 377 T CB 0.885 69.710 68.868 -0.072 0.000 1.209 377 T HN 0.596 nan 8.240 nan 0.000 0.484 378 N N 1.715 120.511 118.700 0.160 0.000 2.314 378 N HA 0.163 4.903 4.740 -0.001 0.000 0.200 378 N C -0.099 175.543 175.510 0.219 0.000 1.135 378 N CA -0.315 52.873 53.050 0.231 0.000 0.835 378 N CB 0.570 39.257 38.487 0.333 0.000 0.989 378 N HN 0.299 nan 8.380 nan 0.000 0.478 379 S N -0.792 115.039 115.700 0.218 0.000 2.756 379 S HA 0.374 4.843 4.470 -0.001 0.000 0.303 379 S C 0.310 175.079 174.600 0.283 0.000 1.135 379 S CA -0.624 57.740 58.200 0.273 0.000 1.066 379 S CB 0.906 64.326 63.200 0.366 0.000 1.008 379 S HN 0.121 nan 8.310 nan 0.000 0.482 380 S N 3.532 119.390 115.700 0.263 0.000 2.423 380 S HA -0.057 4.413 4.470 -0.001 0.000 0.231 380 S C 1.229 176.012 174.600 0.305 0.000 1.014 380 S CA 1.023 59.390 58.200 0.278 0.000 0.965 380 S CB -0.337 62.988 63.200 0.207 0.000 0.785 380 S HN 0.929 nan 8.310 nan 0.000 0.495 381 W N 2.151 123.544 121.300 0.155 0.000 2.355 381 W HA -0.114 4.546 4.660 -0.000 0.000 0.309 381 W C 1.790 178.403 176.519 0.156 0.000 1.206 381 W CA 0.889 58.317 57.345 0.139 0.000 1.284 381 W CB -0.601 28.939 29.460 0.135 0.000 1.145 381 W HN 0.244 nan 8.180 nan 0.000 0.502 382 L N 1.136 122.525 121.223 0.277 0.000 2.046 382 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 382 L C 2.302 179.106 176.870 -0.109 0.000 1.077 382 L CA 2.437 57.279 54.840 0.004 0.000 0.747 382 L CB -1.665 40.550 42.059 0.261 0.000 0.896 382 L HN 0.486 nan 8.230 nan 0.000 0.432 383 W N 0.364 121.601 121.300 -0.104 0.000 2.335 383 W HA -0.333 4.327 4.660 -0.001 0.000 0.311 383 W C 2.172 178.629 176.519 -0.102 0.000 1.213 383 W CA 1.707 58.970 57.345 -0.138 0.000 1.274 383 W CB -0.523 28.848 29.460 -0.149 0.000 1.148 383 W HN 0.417 nan 8.180 nan 0.000 0.498 384 N N 0.858 119.259 118.700 -0.499 0.000 2.104 384 N HA -0.212 4.528 4.740 -0.001 0.000 0.190 384 N C 1.803 177.061 175.510 -0.419 0.000 1.024 384 N CA 2.158 54.898 53.050 -0.516 0.000 0.853 384 N CB -0.357 38.011 38.487 -0.197 0.000 1.008 384 N HN -0.099 nan 8.380 nan 0.000 0.424 385 K N 0.391 120.532 120.400 -0.432 0.000 2.057 385 K HA -0.043 4.277 4.320 -0.001 0.000 0.207 385 K C 2.064 178.591 176.600 -0.121 0.000 1.049 385 K CA 0.797 56.919 56.287 -0.275 0.000 0.931 385 K CB -0.668 31.645 32.500 -0.312 0.000 0.714 385 K HN 0.322 nan 8.250 nan 0.000 0.440 386 L N -0.240 120.832 121.223 -0.251 0.000 2.056 386 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 386 L C 2.437 179.128 176.870 -0.298 0.000 1.078 386 L CA 0.954 55.643 54.840 -0.253 0.000 0.749 386 L CB -0.466 41.394 42.059 -0.331 0.000 0.901 386 L HN 0.005 nan 8.230 nan 0.000 0.433 387 F N 1.261 120.738 119.950 -0.789 0.000 2.102 387 F HA -0.222 4.305 4.527 -0.001 0.000 0.298 387 F C 2.421 178.004 175.800 -0.360 0.000 1.105 387 F CA 1.740 59.267 58.000 -0.790 0.000 1.239 387 F CB -0.269 37.939 39.000 -1.320 0.000 0.991 387 F HN 0.065 nan 8.300 nan 0.000 0.474 388 E N 0.221 120.185 120.200 -0.395 0.000 2.077 388 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 388 E C 2.370 178.840 176.600 -0.217 0.000 0.989 388 E CA 1.089 57.288 56.400 -0.334 0.000 0.800 388 E CB -0.495 29.106 29.700 -0.165 0.000 0.746 388 E HN 0.499 nan 8.360 nan 0.000 0.452 389 A N 1.562 124.316 122.820 -0.111 0.000 1.933 389 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 389 A C 2.349 179.921 177.584 -0.019 0.000 1.175 389 A CA 1.896 53.936 52.037 0.005 0.000 0.628 389 A CB -0.647 18.429 19.000 0.127 0.000 0.814 389 A HN 0.335 nan 8.150 nan 0.000 0.444 390 S N 0.008 115.655 115.700 -0.089 0.000 2.423 390 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 390 S C 1.845 176.423 174.600 -0.037 0.000 1.014 390 S CA 1.287 59.464 58.200 -0.038 0.000 0.965 390 S CB -0.743 62.436 63.200 -0.035 0.000 0.785 390 S HN 0.491 nan 8.310 nan 0.000 0.495 391 I N 1.573 122.035 120.570 -0.179 0.000 2.226 391 I HA -0.153 4.017 4.170 -0.001 0.000 0.245 391 I C 2.927 179.068 176.117 0.039 0.000 1.100 391 I CA 1.862 63.106 61.300 -0.092 0.000 1.374 391 I CB -0.417 37.442 38.000 -0.235 0.000 1.057 391 I HN 0.383 nan 8.210 nan 0.000 0.413 392 E N 1.115 121.310 120.200 -0.008 0.000 2.028 392 E HA -0.217 4.133 4.350 -0.001 0.000 0.191 392 E C 2.150 178.728 176.600 -0.037 0.000 0.988 392 E CA 2.364 58.752 56.400 -0.020 0.000 0.799 392 E CB -0.217 29.464 29.700 -0.032 0.000 0.755 392 E HN 0.507 nan 8.360 nan 0.000 0.447 393 T N -3.464 111.097 114.554 0.012 0.000 2.951 393 T HA 0.108 4.458 4.350 -0.001 0.000 0.268 393 T C 1.751 176.488 174.700 0.061 0.000 1.073 393 T CA 1.159 63.276 62.100 0.029 0.000 1.134 393 T CB -0.300 68.633 68.868 0.109 0.000 0.884 393 T HN 0.450 nan 8.240 nan 0.000 0.479 394 G N 1.079 109.960 108.800 0.134 0.000 2.199 394 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.254 394 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.254 394 G C 0.013 175.126 174.900 0.355 0.000 0.982 394 G CA 0.200 45.454 45.100 0.257 0.000 0.632 394 G HN 0.645 nan 8.290 nan 0.000 0.529 395 D N 1.525 122.067 120.400 0.237 0.000 2.522 395 D HA 0.325 4.965 4.640 -0.001 0.000 0.218 395 D C 1.178 177.588 176.300 0.184 0.000 1.149 395 D CA -0.358 53.767 54.000 0.208 0.000 0.981 395 D CB -0.106 40.789 40.800 0.158 0.000 1.041 395 D HN 0.461 nan 8.370 nan 0.000 0.518 396 R N 0.385 121.021 120.500 0.226 0.000 2.756 396 R HA 0.226 4.566 4.340 -0.001 0.000 0.264 396 R C 0.348 176.773 176.300 0.209 0.000 1.026 396 R CA -0.127 56.098 56.100 0.209 0.000 1.121 396 R CB 0.752 31.178 30.300 0.210 0.000 0.999 396 R HN 0.167 nan 8.270 nan 0.000 0.449 397 V N -1.115 118.964 119.914 0.275 0.000 2.914 397 V HA 0.643 4.763 4.120 -0.001 0.000 0.314 397 V C -0.944 175.494 176.094 0.574 0.000 1.084 397 V CA -1.060 61.437 62.300 0.329 0.000 0.963 397 V CB 2.538 34.510 31.823 0.248 0.000 1.025 397 V HN 0.811 nan 8.190 nan 0.000 0.432 398 W N 3.383 124.828 121.300 0.242 0.000 3.097 398 W HA 0.552 5.212 4.660 -0.000 0.000 0.335 398 W C -0.467 175.883 176.519 -0.282 0.000 1.114 398 W CA -0.632 56.763 57.345 0.083 0.000 1.231 398 W CB 2.378 31.810 29.460 -0.047 0.000 1.388 398 W HN 0.874 nan 8.180 nan 0.000 0.485 399 R N 4.682 124.453 120.500 -1.215 0.000 2.543 399 R HA 0.330 4.670 4.340 -0.001 0.000 0.277 399 R C -0.172 175.620 176.300 -0.847 0.000 1.074 399 R CA 0.281 55.590 56.100 -1.319 0.000 1.076 399 R CB 0.716 29.770 30.300 -2.077 0.000 0.993 399 R HN 0.345 nan 8.270 nan 0.000 0.459 400 M N 4.891 123.931 119.600 -0.934 0.000 2.530 400 M HA 0.394 4.874 4.480 -0.001 0.000 0.307 400 M C -2.334 173.426 176.300 -0.900 0.000 1.161 400 M CA -2.798 51.898 55.300 -1.007 0.000 0.903 400 M CB 1.841 33.413 32.600 -1.713 0.000 1.711 400 M HN 0.508 nan 8.290 nan 0.000 0.451 401 P HA 0.217 nan 4.420 nan 0.000 0.271 401 P C -0.943 176.245 177.300 -0.188 0.000 1.220 401 P CA -0.094 62.613 63.100 -0.655 0.000 0.768 401 P CB 0.690 31.654 31.700 -1.228 0.000 0.848 402 L N 4.499 125.683 121.223 -0.065 0.000 2.426 402 L HA 0.344 4.684 4.340 -0.001 0.000 0.255 402 L C -0.372 176.751 176.870 0.422 0.000 1.080 402 L CA -0.589 54.410 54.840 0.264 0.000 0.960 402 L CB -0.258 41.973 42.059 0.287 0.000 1.326 402 L HN 0.226 nan 8.230 nan 0.000 0.441 403 F N 0.436 120.639 119.950 0.421 0.000 2.458 403 F HA 0.253 4.779 4.527 -0.000 0.000 0.330 403 F C 1.500 177.427 175.800 0.212 0.000 1.082 403 F CA -1.167 56.978 58.000 0.242 0.000 0.995 403 F CB 1.167 40.220 39.000 0.090 0.000 1.170 403 F HN 0.279 nan 8.300 nan 0.000 0.478 404 E N 1.168 121.554 120.200 0.311 0.000 2.265 404 E HA -0.255 4.095 4.350 -0.001 0.000 0.196 404 E C 1.929 178.623 176.600 0.156 0.000 0.996 404 E CA 1.107 57.619 56.400 0.186 0.000 0.832 404 E CB -0.407 29.351 29.700 0.098 0.000 0.756 404 E HN 0.714 nan 8.360 nan 0.000 0.491 405 H N 0.035 119.101 119.070 -0.007 0.000 2.357 405 H HA -0.215 4.341 4.556 -0.001 0.000 0.296 405 H C 1.296 176.537 175.328 -0.146 0.000 1.108 405 H CA 2.128 58.083 56.048 -0.156 0.000 1.273 405 H CB -0.292 29.270 29.762 -0.333 0.000 1.367 405 H HN 0.252 nan 8.280 nan 0.000 0.498 406 Y N 0.484 121.050 120.300 0.443 0.000 2.286 406 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 406 Y C 3.077 179.079 175.900 0.171 0.000 1.124 406 Y CA 1.231 59.517 58.100 0.311 0.000 1.178 406 Y CB -0.707 37.914 38.460 0.267 0.000 1.010 406 Y HN 0.141 nan 8.280 nan 0.000 0.536 407 T N 0.302 115.024 114.554 0.280 0.000 2.684 407 T HA -0.250 4.099 4.350 -0.001 0.000 0.267 407 T C 2.015 176.766 174.700 0.084 0.000 1.036 407 T CA 1.702 63.897 62.100 0.159 0.000 1.148 407 T CB -0.282 68.658 68.868 0.119 0.000 0.863 407 T HN 0.265 nan 8.240 nan 0.000 0.436 408 R N 0.885 121.418 120.500 0.054 0.000 2.139 408 R HA -0.131 4.208 4.340 -0.001 0.000 0.243 408 R C 2.252 178.541 176.300 -0.019 0.000 1.145 408 R CA 1.490 57.589 56.100 -0.003 0.000 0.976 408 R CB -0.145 30.131 30.300 -0.041 0.000 0.866 408 R HN 0.530 nan 8.270 nan 0.000 0.449 409 Q N -0.348 119.457 119.800 0.008 0.000 2.435 409 Q HA -0.047 4.293 4.340 -0.001 0.000 0.207 409 Q C 1.831 177.824 176.000 -0.011 0.000 0.956 409 Q CA 1.168 56.946 55.803 -0.041 0.000 0.917 409 Q CB 0.597 29.347 28.738 0.019 0.000 0.997 409 Q HN 0.390 nan 8.270 nan 0.000 0.497 410 V N -2.618 117.328 119.914 0.053 0.000 3.523 410 V HA 0.073 4.192 4.120 -0.001 0.000 0.255 410 V C 1.746 177.871 176.094 0.052 0.000 1.226 410 V CA 0.312 62.665 62.300 0.089 0.000 1.092 410 V CB -0.418 31.517 31.823 0.187 0.000 0.817 410 V HN 0.355 nan 8.190 nan 0.000 0.458 411 I N -0.947 119.629 120.570 0.010 0.000 3.578 411 I HA 0.303 4.473 4.170 -0.001 0.000 0.295 411 I C 0.851 176.953 176.117 -0.024 0.000 1.280 411 I CA 0.450 61.738 61.300 -0.021 0.000 1.347 411 I CB -0.278 37.695 38.000 -0.045 0.000 1.051 411 I HN 0.202 nan 8.210 nan 0.000 0.460 412 D N 2.297 122.679 120.400 -0.030 0.000 2.435 412 D HA 0.164 4.804 4.640 -0.001 0.000 0.230 412 D C -0.922 175.359 176.300 -0.033 0.000 1.215 412 D CA -0.084 53.890 54.000 -0.044 0.000 0.947 412 D CB 0.340 41.093 40.800 -0.077 0.000 1.048 412 D HN 0.333 nan 8.370 nan 0.000 0.512 413 C N 4.401 123.690 119.300 -0.018 0.000 2.408 413 C HA 0.342 4.802 4.460 -0.001 0.000 0.321 413 C C 1.338 176.325 174.990 -0.005 0.000 1.245 413 C CA -0.627 58.389 59.018 -0.003 0.000 1.523 413 C CB 1.159 28.908 27.740 0.014 0.000 2.178 413 C HN 0.737 nan 8.230 nan 0.000 0.488 414 Q N 2.747 122.546 119.800 -0.002 0.000 2.050 414 Q HA -0.023 4.317 4.340 -0.001 0.000 0.202 414 Q C 1.225 177.226 176.000 0.002 0.000 0.980 414 Q CA 2.317 58.118 55.803 -0.002 0.000 0.840 414 Q CB -0.030 28.708 28.738 -0.000 0.000 0.898 414 Q HN 0.894 nan 8.270 nan 0.000 0.424 415 L N -1.688 119.540 121.223 0.008 0.000 2.537 415 L HA 0.514 4.853 4.340 -0.001 0.000 0.224 415 L C 0.719 177.596 176.870 0.011 0.000 1.065 415 L CA 0.090 54.935 54.840 0.009 0.000 0.860 415 L CB 0.336 42.403 42.059 0.014 0.000 1.086 415 L HN 0.145 nan 8.230 nan 0.000 0.482 416 A N -0.724 122.106 122.820 0.017 0.000 2.486 416 A HA 0.395 4.715 4.320 -0.001 0.000 0.277 416 A C -0.156 177.431 177.584 0.005 0.000 1.282 416 A CA -0.383 51.664 52.037 0.018 0.000 0.784 416 A CB 0.527 19.552 19.000 0.041 0.000 1.350 416 A HN -0.035 nan 8.150 nan 0.000 0.454 417 D N -0.935 119.463 120.400 -0.004 0.000 2.144 417 D HA 0.077 4.717 4.640 -0.001 0.000 0.200 417 D C 0.286 176.557 176.300 -0.048 0.000 0.978 417 D CA 1.976 55.951 54.000 -0.041 0.000 0.833 417 D CB 0.297 41.054 40.800 -0.072 0.000 0.961 417 D HN 0.293 nan 8.370 nan 0.000 0.470 418 V N 0.208 120.122 119.914 -0.001 0.000 2.969 418 V HA 0.259 4.379 4.120 -0.001 0.000 0.304 418 V C -1.507 174.689 176.094 0.170 0.000 1.192 418 V CA -0.984 61.335 62.300 0.031 0.000 0.962 418 V CB 2.539 34.293 31.823 -0.116 0.000 1.045 418 V HN -0.068 nan 8.190 nan 0.000 0.428 419 N N 4.197 123.010 118.700 0.189 0.000 2.456 419 N HA 0.222 4.962 4.740 -0.001 0.000 0.288 419 N C 0.627 176.317 175.510 0.299 0.000 1.059 419 N CA -0.152 53.011 53.050 0.188 0.000 0.946 419 N CB 1.571 40.111 38.487 0.090 0.000 1.150 419 N HN 0.898 nan 8.380 nan 0.000 0.479 420 N N 3.627 122.425 118.700 0.164 0.000 2.515 420 N HA -0.034 4.706 4.740 -0.001 0.000 0.191 420 N C 0.189 175.597 175.510 -0.169 0.000 1.182 420 N CA 0.290 53.256 53.050 -0.141 0.000 0.879 420 N CB -0.237 38.101 38.487 -0.249 0.000 0.984 420 N HN 0.626 nan 8.380 nan 0.000 0.453 421 I N -4.924 115.631 120.570 -0.025 0.000 2.722 421 I HA 0.657 4.826 4.170 -0.001 0.000 0.295 421 I C 0.185 176.314 176.117 0.020 0.000 1.161 421 I CA -1.465 59.821 61.300 -0.023 0.000 1.032 421 I CB 1.886 39.870 38.000 -0.028 0.000 1.244 421 I HN -0.162 nan 8.210 nan 0.000 0.421 422 G N 3.517 112.335 108.800 0.030 0.000 2.636 422 G HA2 0.167 4.127 3.960 -0.001 0.000 0.246 422 G HA3 0.167 4.127 3.960 -0.001 0.000 0.246 422 G C 0.569 175.446 174.900 -0.039 0.000 1.216 422 G CA -0.300 44.815 45.100 0.025 0.000 0.854 422 G HN 0.987 nan 8.290 nan 0.000 0.572 423 K N -0.925 119.372 120.400 -0.172 0.000 2.288 423 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 423 K C -0.377 176.073 176.600 -0.249 0.000 1.048 423 K CA 0.639 56.751 56.287 -0.291 0.000 0.956 423 K CB 0.009 32.203 32.500 -0.510 0.000 0.746 423 K HN 0.404 nan 8.250 nan 0.000 0.461 424 Y N 1.131 121.467 120.300 0.060 0.000 2.549 424 Y HA 0.318 4.868 4.550 -0.001 0.000 0.339 424 Y C 1.099 177.038 175.900 0.065 0.000 1.053 424 Y CA -1.940 56.196 58.100 0.061 0.000 1.105 424 Y CB 1.350 39.856 38.460 0.076 0.000 1.258 424 Y HN -0.108 nan 8.280 nan 0.000 0.478 425 R N -0.764 119.874 120.500 0.230 0.000 2.310 425 R HA 0.265 4.605 4.340 -0.001 0.000 0.202 425 R C -0.292 176.088 176.300 0.134 0.000 0.933 425 R CA 0.160 56.343 56.100 0.138 0.000 1.054 425 R CB -0.072 30.285 30.300 0.095 0.000 0.985 425 R HN 0.350 nan 8.270 nan 0.000 0.489 426 S N 1.102 116.910 115.700 0.181 0.000 2.592 426 S HA 0.419 4.889 4.470 -0.001 0.000 0.271 426 S C 0.552 175.266 174.600 0.190 0.000 1.326 426 S CA 0.056 58.354 58.200 0.165 0.000 1.024 426 S CB 1.417 64.719 63.200 0.171 0.000 0.921 426 S HN 0.486 nan 8.310 nan 0.000 0.527 427 A N 0.990 123.895 122.820 0.143 0.000 2.687 427 A HA -0.164 4.156 4.320 -0.001 0.000 0.299 427 A C 1.577 179.179 177.584 0.031 0.000 1.497 427 A CA 0.898 52.988 52.037 0.088 0.000 0.751 427 A CB -2.089 17.020 19.000 0.182 0.000 1.048 427 A HN 1.295 nan 8.150 nan 0.000 0.464 428 G N -0.513 108.312 108.800 0.042 0.000 2.469 428 G HA2 0.004 3.964 3.960 -0.001 0.000 0.220 428 G HA3 0.004 3.964 3.960 -0.001 0.000 0.220 428 G C 1.690 176.578 174.900 -0.019 0.000 1.136 428 G CA 1.964 47.076 45.100 0.020 0.000 0.759 428 G HN 1.933 nan 8.290 nan 0.000 0.562 429 A N -0.422 122.396 122.820 -0.004 0.000 1.968 429 A HA 0.025 4.345 4.320 -0.001 0.000 0.217 429 A C 2.539 180.011 177.584 -0.186 0.000 1.169 429 A CA 1.656 53.698 52.037 0.008 0.000 0.638 429 A CB -0.686 18.425 19.000 0.185 0.000 0.812 429 A HN 0.437 nan 8.150 nan 0.000 0.446 430 C N -0.451 118.730 119.300 -0.199 0.000 2.457 430 C HA -0.045 4.415 4.460 -0.001 0.000 0.278 430 C C 3.147 177.925 174.990 -0.354 0.000 1.309 430 C CA 1.460 60.189 59.018 -0.483 0.000 1.735 430 C CB -1.320 25.666 27.740 -1.256 0.000 1.992 430 C HN 0.787 nan 8.230 nan 0.000 0.493 431 T N 0.055 114.530 114.554 -0.132 0.000 2.904 431 T HA 0.025 4.374 4.350 -0.001 0.000 0.267 431 T C 1.942 176.661 174.700 0.031 0.000 1.059 431 T CA 1.364 63.505 62.100 0.068 0.000 1.137 431 T CB -0.388 68.560 68.868 0.134 0.000 0.879 431 T HN 0.473 nan 8.240 nan 0.000 0.467 432 A N 1.964 124.743 122.820 -0.069 0.000 1.898 432 A HA 0.359 4.679 4.320 -0.001 0.000 0.216 432 A C 2.802 180.321 177.584 -0.107 0.000 1.181 432 A CA 1.724 53.712 52.037 -0.082 0.000 0.620 432 A CB -1.368 17.561 19.000 -0.117 0.000 0.819 432 A HN 0.700 nan 8.150 nan 0.000 0.442 433 A N -0.161 122.463 122.820 -0.326 0.000 1.933 433 A HA 0.183 4.503 4.320 -0.001 0.000 0.218 433 A C 2.475 180.066 177.584 0.011 0.000 1.175 433 A CA 1.972 53.777 52.037 -0.386 0.000 0.628 433 A CB -0.937 17.348 19.000 -1.192 0.000 0.814 433 A HN 1.034 nan 8.150 nan 0.000 0.444 434 A N -1.151 121.698 122.820 0.048 0.000 1.933 434 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 434 A C 2.018 179.702 177.584 0.166 0.000 1.175 434 A CA 1.551 53.691 52.037 0.172 0.000 0.628 434 A CB -0.699 18.437 19.000 0.226 0.000 0.814 434 A HN 0.687 nan 8.150 nan 0.000 0.444 435 F N 0.793 120.769 119.950 0.044 0.000 2.102 435 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 435 F C 1.906 177.800 175.800 0.157 0.000 1.105 435 F CA 1.795 59.847 58.000 0.086 0.000 1.239 435 F CB -0.305 38.737 39.000 0.070 0.000 0.991 435 F HN 0.145 nan 8.300 nan 0.000 0.474 436 L N 0.321 121.772 121.223 0.381 0.000 2.042 436 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 436 L C 2.530 179.372 176.870 -0.047 0.000 1.076 436 L CA 1.880 56.871 54.840 0.253 0.000 0.749 436 L CB -0.875 41.301 42.059 0.195 0.000 0.893 436 L HN 0.139 nan 8.230 nan 0.000 0.432 437 K N 0.103 120.467 120.400 -0.060 0.000 2.281 437 K HA -0.180 4.139 4.320 -0.001 0.000 0.203 437 K C 1.718 178.151 176.600 -0.278 0.000 1.046 437 K CA 0.980 57.114 56.287 -0.255 0.000 0.938 437 K CB 0.148 32.739 32.500 0.151 0.000 0.737 437 K HN 0.207 nan 8.250 nan 0.000 0.458 438 E N -0.416 119.583 120.200 -0.335 0.000 2.478 438 E HA -0.114 4.235 4.350 -0.001 0.000 0.198 438 E C 0.267 176.302 176.600 -0.941 0.000 1.046 438 E CA 0.728 56.755 56.400 -0.622 0.000 0.870 438 E CB 0.111 29.325 29.700 -0.811 0.000 0.818 438 E HN 0.343 nan 8.360 nan 0.000 0.527 439 F N -0.535 119.222 119.950 -0.322 0.000 2.698 439 F HA 0.181 4.708 4.527 -0.000 0.000 0.304 439 F C 0.154 175.773 175.800 -0.302 0.000 1.108 439 F CA -0.254 57.577 58.000 -0.280 0.000 1.263 439 F CB 0.970 39.841 39.000 -0.215 0.000 1.013 439 F HN -0.329 nan 8.300 nan 0.000 0.532 440 V N 0.329 120.081 119.914 -0.270 0.000 2.638 440 V HA 0.321 4.440 4.120 -0.001 0.000 0.306 440 V C 0.543 176.596 176.094 -0.068 0.000 1.052 440 V CA -0.291 61.893 62.300 -0.193 0.000 0.885 440 V CB 1.925 33.318 31.823 -0.717 0.000 0.999 440 V HN 0.297 nan 8.190 nan 0.000 0.424 441 T N -1.178 113.476 114.554 0.167 0.000 3.004 441 T HA 0.159 4.509 4.350 -0.001 0.000 0.266 441 T C 0.568 175.405 174.700 0.228 0.000 0.986 441 T CA 0.013 62.177 62.100 0.108 0.000 0.902 441 T CB -0.120 68.743 68.868 -0.008 0.000 1.118 441 T HN 0.604 nan 8.240 nan 0.000 0.522 442 H N 3.837 123.077 119.070 0.283 0.000 2.848 442 H HA 0.165 4.721 4.556 -0.000 0.000 0.341 442 H C -1.523 173.917 175.328 0.187 0.000 1.060 442 H CA -1.042 55.108 56.048 0.171 0.000 1.444 442 H CB 1.786 31.565 29.762 0.028 0.000 1.446 442 H HN 0.076 nan 8.280 nan 0.000 0.583 443 P HA 0.002 nan 4.420 nan 0.000 0.233 443 P C -0.441 177.056 177.300 0.327 0.000 1.167 443 P CA 0.863 64.049 63.100 0.143 0.000 0.770 443 P CB 0.545 32.239 31.700 -0.010 0.000 0.837 444 K N -0.231 120.551 120.400 0.637 0.000 2.753 444 K HA 0.204 4.524 4.320 -0.001 0.000 0.185 444 K C -1.486 175.387 176.600 0.456 0.000 1.071 444 K CA -0.497 56.110 56.287 0.534 0.000 0.999 444 K CB 0.411 33.214 32.500 0.506 0.000 1.244 444 K HN -0.007 nan 8.250 nan 0.000 0.594 445 W N 1.976 123.401 121.300 0.208 0.000 2.632 445 W HA 0.637 5.296 4.660 -0.001 0.000 0.328 445 W C -1.580 174.997 176.519 0.097 0.000 1.044 445 W CA -0.614 56.781 57.345 0.083 0.000 1.225 445 W CB 1.339 30.869 29.460 0.117 0.000 1.396 445 W HN 0.342 nan 8.180 nan 0.000 0.499 446 A N 4.527 126.988 122.820 -0.598 0.000 2.374 446 A HA 0.530 4.850 4.320 -0.001 0.000 0.305 446 A C -2.069 175.075 177.584 -0.733 0.000 1.053 446 A CA -0.618 51.017 52.037 -0.670 0.000 0.726 446 A CB 0.958 19.747 19.000 -0.352 0.000 1.229 446 A HN 0.799 nan 8.150 nan 0.000 0.431 447 H N 2.300 120.904 119.070 -0.778 0.000 2.511 447 H HA 0.669 5.225 4.556 -0.001 0.000 0.328 447 H C -1.819 173.460 175.328 -0.082 0.000 1.044 447 H CA -0.915 54.932 56.048 -0.336 0.000 1.212 447 H CB 0.871 30.475 29.762 -0.263 0.000 1.428 447 H HN 0.377 nan 8.280 nan 0.000 0.483 448 L N 5.323 126.329 121.223 -0.361 0.000 2.276 448 L HA 0.226 4.566 4.340 -0.001 0.000 0.286 448 L C -0.129 176.524 176.870 -0.361 0.000 1.024 448 L CA -0.365 54.281 54.840 -0.324 0.000 0.826 448 L CB 1.237 43.212 42.059 -0.140 0.000 1.211 448 L HN 0.713 nan 8.230 nan 0.000 0.422 449 D N 4.088 124.272 120.400 -0.360 0.000 2.380 449 D HA 0.185 4.825 4.640 -0.001 0.000 0.230 449 D C 0.830 177.111 176.300 -0.031 0.000 1.154 449 D CA -0.192 53.740 54.000 -0.114 0.000 0.859 449 D CB 0.883 41.704 40.800 0.036 0.000 1.045 449 D HN 0.553 nan 8.370 nan 0.000 0.495 450 I N 0.846 121.411 120.570 -0.008 0.000 3.891 450 I HA 0.312 4.482 4.170 -0.001 0.000 0.331 450 I C 1.551 177.671 176.117 0.005 0.000 1.406 450 I CA -0.507 60.794 61.300 0.001 0.000 1.139 450 I CB 0.475 38.478 38.000 0.005 0.000 1.056 450 I HN 0.186 nan 8.210 nan 0.000 0.399 451 A N 2.032 124.857 122.820 0.008 0.000 1.940 451 A HA -0.073 4.247 4.320 -0.001 0.000 0.219 451 A C 2.313 179.896 177.584 -0.002 0.000 1.176 451 A CA 1.966 54.003 52.037 0.001 0.000 0.631 451 A CB -1.300 17.702 19.000 0.003 0.000 0.814 451 A HN 0.563 nan 8.150 nan 0.000 0.446 452 G N -0.737 108.063 108.800 0.000 0.000 2.448 452 G HA2 0.048 4.008 3.960 -0.001 0.000 0.218 452 G HA3 0.048 4.008 3.960 -0.001 0.000 0.218 452 G C 1.180 176.078 174.900 -0.004 0.000 1.135 452 G CA 1.332 46.428 45.100 -0.006 0.000 0.784 452 G HN 1.125 nan 8.290 nan 0.000 0.543 453 V N -2.038 117.878 119.914 0.003 0.000 3.271 453 V HA 0.411 4.530 4.120 -0.001 0.000 0.327 453 V C 1.896 177.994 176.094 0.006 0.000 1.389 453 V CA 0.405 62.709 62.300 0.007 0.000 1.156 453 V CB 0.171 32.006 31.823 0.019 0.000 1.103 453 V HN 0.276 nan 8.190 nan 0.000 0.453 454 M N 2.135 121.736 119.600 0.002 0.000 2.159 454 M HA 0.010 4.489 4.480 -0.001 0.000 0.263 454 M C 1.167 177.470 176.300 0.005 0.000 1.063 454 M CA 2.183 57.484 55.300 0.001 0.000 1.110 454 M CB 0.134 32.731 32.600 -0.005 0.000 1.374 454 M HN 0.782 nan 8.290 nan 0.000 0.411 455 T N -1.835 112.722 114.554 0.005 0.000 2.926 455 T HA 0.535 4.885 4.350 -0.001 0.000 0.289 455 T C -0.945 173.757 174.700 0.004 0.000 1.054 455 T CA -0.991 61.115 62.100 0.009 0.000 1.015 455 T CB 1.823 70.697 68.868 0.011 0.000 1.167 455 T HN 0.286 nan 8.240 nan 0.000 0.526 456 N N -0.915 117.788 118.700 0.006 0.000 2.260 456 N HA 0.492 5.231 4.740 -0.001 0.000 0.293 456 N C -0.070 175.440 175.510 0.000 0.000 1.058 456 N CA -0.759 52.287 53.050 -0.006 0.000 0.824 456 N CB 2.306 40.781 38.487 -0.020 0.000 1.551 456 N HN 0.707 nan 8.380 nan 0.000 0.475 457 K N 0.252 120.649 120.400 -0.007 0.000 2.274 457 K HA 0.206 4.525 4.320 -0.001 0.000 0.219 457 K C -0.117 176.478 176.600 -0.008 0.000 1.058 457 K CA 0.628 56.914 56.287 -0.002 0.000 0.920 457 K CB 0.405 32.904 32.500 -0.002 0.000 1.124 457 K HN 0.700 nan 8.250 nan 0.000 0.464 458 D N -0.536 119.855 120.400 -0.015 0.000 2.523 458 D HA 0.009 4.648 4.640 -0.001 0.000 0.269 458 D C 0.613 176.896 176.300 -0.029 0.000 1.374 458 D CA 0.106 54.094 54.000 -0.020 0.000 0.820 458 D CB 0.027 40.822 40.800 -0.009 0.000 1.211 458 D HN -0.033 nan 8.370 nan 0.000 0.502 459 E N 0.528 120.710 120.200 -0.030 0.000 2.058 459 E HA -0.021 4.329 4.350 -0.001 0.000 0.194 459 E C 0.625 177.197 176.600 -0.046 0.000 0.997 459 E CA 1.039 57.426 56.400 -0.022 0.000 0.801 459 E CB 0.113 29.803 29.700 -0.016 0.000 0.746 459 E HN 0.114 nan 8.360 nan 0.000 0.450 460 V N 2.843 122.683 119.914 -0.122 0.000 2.334 460 V HA 0.070 4.189 4.120 -0.001 0.000 0.267 460 V C -1.764 174.133 176.094 -0.328 0.000 1.040 460 V CA -1.152 60.967 62.300 -0.302 0.000 0.866 460 V CB 1.135 32.696 31.823 -0.436 0.000 1.019 460 V HN 0.063 nan 8.190 nan 0.000 0.468 461 P HA -0.178 nan 4.420 nan 0.000 0.216 461 P C 0.989 178.260 177.300 -0.049 0.000 1.153 461 P CA 1.546 64.592 63.100 -0.091 0.000 0.858 461 P CB -0.043 31.662 31.700 0.008 0.000 0.789 462 Y N -2.322 117.974 120.300 -0.006 0.000 2.462 462 Y HA 0.412 4.962 4.550 -0.001 0.000 0.293 462 Y C 0.198 176.108 175.900 0.016 0.000 1.195 462 Y CA -0.627 57.470 58.100 -0.006 0.000 1.276 462 Y CB -1.021 37.420 38.460 -0.031 0.000 1.082 462 Y HN -0.185 nan 8.280 nan 0.000 0.514 463 L N 1.937 123.117 121.223 -0.072 0.000 2.349 463 L HA 0.506 4.846 4.340 -0.001 0.000 0.278 463 L C 0.027 176.906 176.870 0.016 0.000 0.996 463 L CA -0.931 53.909 54.840 -0.000 0.000 0.825 463 L CB 1.912 43.928 42.059 -0.070 0.000 1.243 463 L HN 0.089 nan 8.230 nan 0.000 0.412 464 R N 1.460 121.999 120.500 0.066 0.000 2.726 464 R HA 0.159 4.498 4.340 -0.001 0.000 0.272 464 R C 0.162 176.490 176.300 0.048 0.000 1.097 464 R CA -0.513 55.617 56.100 0.051 0.000 1.198 464 R CB 0.642 30.977 30.300 0.058 0.000 1.114 464 R HN 0.425 nan 8.270 nan 0.000 0.550 465 K N 0.668 121.090 120.400 0.035 0.000 2.484 465 K HA 0.117 4.436 4.320 -0.001 0.000 0.280 465 K C -0.063 176.571 176.600 0.056 0.000 1.013 465 K CA 0.928 57.235 56.287 0.034 0.000 1.029 465 K CB 0.195 32.711 32.500 0.026 0.000 0.902 465 K HN 0.769 nan 8.250 nan 0.000 0.481 466 G N 2.577 111.410 108.800 0.055 0.000 2.357 466 G HA2 0.003 3.963 3.960 -0.001 0.000 0.289 466 G HA3 0.003 3.963 3.960 -0.001 0.000 0.289 466 G C -1.180 173.758 174.900 0.063 0.000 1.302 466 G CA -1.001 44.143 45.100 0.073 0.000 0.936 466 G HN 0.433 nan 8.290 nan 0.000 0.513 467 M N 0.978 120.618 119.600 0.067 0.000 2.248 467 M HA 0.410 4.889 4.480 -0.001 0.000 0.345 467 M C 1.604 177.929 176.300 0.042 0.000 1.243 467 M CA 0.503 55.828 55.300 0.041 0.000 1.090 467 M CB 0.398 33.014 32.600 0.026 0.000 1.683 467 M HN 1.204 nan 8.290 nan 0.000 0.450 468 A N 2.617 125.450 122.820 0.021 0.000 2.081 468 A HA 0.380 4.699 4.320 -0.001 0.000 0.214 468 A C 1.480 179.064 177.584 0.000 0.000 1.158 468 A CA 0.809 52.854 52.037 0.014 0.000 0.724 468 A CB -0.466 18.538 19.000 0.006 0.000 0.826 468 A HN 1.169 nan 8.150 nan 0.000 0.463 469 G N -0.294 108.502 108.800 -0.007 0.000 2.198 469 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.260 469 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.260 469 G C 0.207 175.107 174.900 -0.000 0.000 1.025 469 G CA 0.535 45.624 45.100 -0.020 0.000 0.769 469 G HN 0.674 nan 8.290 nan 0.000 0.507 470 R N 0.253 120.762 120.500 0.015 0.000 2.457 470 R HA 0.494 4.834 4.340 -0.001 0.000 0.284 470 R C -2.134 174.184 176.300 0.031 0.000 1.024 470 R CA -1.574 54.545 56.100 0.032 0.000 1.025 470 R CB 1.497 31.820 30.300 0.038 0.000 1.063 470 R HN 0.113 nan 8.270 nan 0.000 0.493 471 P HA 0.145 nan 4.420 nan 0.000 0.223 471 P C -0.079 177.252 177.300 0.051 0.000 1.878 471 P CA -0.295 62.838 63.100 0.055 0.000 1.038 471 P CB 0.790 32.526 31.700 0.059 0.000 1.774 472 T N 0.688 115.260 114.554 0.030 0.000 2.624 472 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 472 T C 1.844 176.535 174.700 -0.014 0.000 1.041 472 T CA 1.600 63.699 62.100 -0.001 0.000 1.159 472 T CB -0.281 68.564 68.868 -0.039 0.000 0.863 472 T HN 0.337 nan 8.240 nan 0.000 0.434 473 R N 0.310 120.824 120.500 0.023 0.000 2.120 473 R HA -0.054 4.286 4.340 -0.001 0.000 0.234 473 R C 2.752 179.130 176.300 0.130 0.000 1.123 473 R CA 1.518 57.662 56.100 0.073 0.000 0.975 473 R CB -0.590 29.834 30.300 0.206 0.000 0.866 473 R HN 0.339 nan 8.270 nan 0.000 0.446 474 T N 1.433 116.058 114.554 0.119 0.000 2.821 474 T HA -0.042 4.308 4.350 -0.001 0.000 0.267 474 T C 1.824 176.620 174.700 0.160 0.000 1.046 474 T CA 0.884 63.063 62.100 0.132 0.000 1.139 474 T CB -0.032 68.890 68.868 0.091 0.000 0.871 474 T HN 0.137 nan 8.240 nan 0.000 0.454 475 L N 0.192 121.495 121.223 0.134 0.000 2.056 475 L HA 0.007 4.347 4.340 -0.001 0.000 0.207 475 L C 2.393 179.389 176.870 0.211 0.000 1.078 475 L CA 1.098 56.073 54.840 0.225 0.000 0.749 475 L CB -0.544 41.655 42.059 0.233 0.000 0.901 475 L HN 0.271 nan 8.230 nan 0.000 0.433 476 I N -0.177 120.393 120.570 -0.000 0.000 2.179 476 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 476 I C 2.627 178.759 176.117 0.025 0.000 1.088 476 I CA 1.198 62.383 61.300 -0.191 0.000 1.357 476 I CB -0.230 37.331 38.000 -0.731 0.000 1.051 476 I HN 0.240 nan 8.210 nan 0.000 0.409 477 E N 1.263 121.590 120.200 0.212 0.000 2.085 477 E HA -0.281 4.069 4.350 -0.001 0.000 0.194 477 E C 2.009 178.810 176.600 0.336 0.000 0.994 477 E CA 1.544 58.187 56.400 0.405 0.000 0.801 477 E CB -0.464 29.457 29.700 0.368 0.000 0.743 477 E HN 0.419 nan 8.360 nan 0.000 0.453 478 F N 0.624 120.668 119.950 0.157 0.000 2.095 478 F HA -0.173 4.354 4.527 -0.001 0.000 0.298 478 F C 1.834 177.750 175.800 0.193 0.000 1.104 478 F CA 1.641 59.719 58.000 0.130 0.000 1.232 478 F CB -0.400 38.657 39.000 0.095 0.000 0.987 478 F HN 0.059 nan 8.300 nan 0.000 0.475 479 L N -0.912 120.354 121.223 0.073 0.000 2.017 479 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 479 L C 2.484 179.375 176.870 0.036 0.000 1.073 479 L CA 1.587 56.411 54.840 -0.027 0.000 0.745 479 L CB -1.000 41.090 42.059 0.053 0.000 0.894 479 L HN 0.293 nan 8.230 nan 0.000 0.432 480 F N 1.201 121.152 119.950 0.002 0.000 2.069 480 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 480 F C 2.720 178.536 175.800 0.027 0.000 1.113 480 F CA 1.635 59.661 58.000 0.043 0.000 1.214 480 F CB -0.340 38.730 39.000 0.116 0.000 0.978 480 F HN -0.129 nan 8.300 nan 0.000 0.474 481 R N -0.968 119.394 120.500 -0.230 0.000 2.096 481 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 481 R C 2.289 178.417 176.300 -0.285 0.000 1.127 481 R CA 1.701 57.590 56.100 -0.352 0.000 0.968 481 R CB -1.015 29.220 30.300 -0.109 0.000 0.861 481 R HN 0.414 nan 8.270 nan 0.000 0.440 482 F N 1.935 121.646 119.950 -0.398 0.000 2.171 482 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 482 F C 2.511 178.196 175.800 -0.191 0.000 1.090 482 F CA 1.696 59.506 58.000 -0.315 0.000 1.293 482 F CB -0.283 38.420 39.000 -0.494 0.000 1.013 482 F HN -0.016 nan 8.300 nan 0.000 0.486 483 S N -0.745 114.991 115.700 0.060 0.000 2.447 483 S HA -0.164 4.305 4.470 -0.001 0.000 0.233 483 S C 1.762 176.281 174.600 -0.135 0.000 1.006 483 S CA 0.959 59.177 58.200 0.030 0.000 0.957 483 S CB -0.386 62.841 63.200 0.045 0.000 0.773 483 S HN 0.515 nan 8.310 nan 0.000 0.507 484 Q N 1.023 120.652 119.800 -0.286 0.000 2.200 484 Q HA 0.139 4.479 4.340 -0.001 0.000 0.197 484 Q C 0.982 176.847 176.000 -0.225 0.000 0.953 484 Q CA 1.246 56.877 55.803 -0.286 0.000 0.851 484 Q CB -0.358 28.104 28.738 -0.460 0.000 0.938 484 Q HN 0.594 nan 8.270 nan 0.000 0.488 485 D N 0.897 121.145 120.400 -0.252 0.000 2.267 485 D HA 0.022 4.662 4.640 -0.001 0.000 0.258 485 D C 0.692 176.833 176.300 -0.266 0.000 1.207 485 D CA 0.308 54.188 54.000 -0.200 0.000 0.954 485 D CB -0.365 40.343 40.800 -0.154 0.000 0.975 485 D HN -0.088 nan 8.370 nan 0.000 0.371 486 S N 0.000 115.475 115.700 -0.376 0.000 2.498 486 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 486 S CA 0.000 57.842 58.200 -0.597 0.000 1.107 486 S CB 0.000 62.690 63.200 -0.850 0.000 0.593 486 S HN 0.000 nan 8.310 nan 0.000 0.517