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 1lcp_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 RFSQ 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 0.000 174.723 174.700 0.038 0.000 1.109 1 T CA 0.000 62.120 62.100 0.033 0.000 1.349 1 T CB 0.000 68.893 68.868 0.042 0.000 0.612 2 K N 1.127 121.560 120.400 0.056 0.000 2.471 2 K HA 0.766 5.087 4.320 0.001 0.000 0.252 2 K C -0.008 176.707 176.600 0.191 0.000 0.938 2 K CA -0.162 56.177 56.287 0.085 0.000 0.796 2 K CB 1.649 34.150 32.500 0.003 0.000 1.161 2 K HN 1.055 nan 8.250 nan 0.000 0.425 3 G N 2.344 111.244 108.800 0.167 0.000 2.471 3 G HA2 0.678 4.639 3.960 0.001 0.000 0.332 3 G HA3 0.678 4.639 3.960 0.001 0.000 0.332 3 G C -1.748 173.164 174.900 0.019 0.000 1.176 3 G CA -0.636 44.531 45.100 0.112 0.000 0.949 3 G HN 0.533 nan 8.290 nan 0.000 0.488 4 L N 0.768 121.857 121.223 -0.225 0.000 2.436 4 L HA 0.684 5.025 4.340 0.001 0.000 0.268 4 L C -1.016 175.578 176.870 -0.459 0.000 0.974 4 L CA -0.695 53.808 54.840 -0.562 0.000 0.826 4 L CB 2.348 43.658 42.059 -1.248 0.000 1.291 4 L HN 0.329 nan 8.230 nan 0.000 0.406 5 V N 6.235 125.909 119.914 -0.400 0.000 2.370 5 V HA 0.554 4.675 4.120 0.001 0.000 0.283 5 V C -0.209 175.686 176.094 -0.331 0.000 1.023 5 V CA -0.386 61.740 62.300 -0.290 0.000 0.857 5 V CB 1.476 33.199 31.823 -0.166 0.000 0.985 5 V HN 0.636 nan 8.190 nan 0.000 0.443 6 L N 3.919 124.967 121.223 -0.292 0.000 2.370 6 L HA 0.827 5.168 4.340 0.001 0.000 0.266 6 L C 0.525 177.318 176.870 -0.128 0.000 1.002 6 L CA -0.546 54.144 54.840 -0.251 0.000 0.818 6 L CB 2.267 44.128 42.059 -0.330 0.000 1.325 6 L HN 0.717 nan 8.230 nan 0.000 0.418 7 G N 1.729 110.466 108.800 -0.105 0.000 2.417 7 G HA2 0.730 4.691 3.960 0.001 0.000 0.334 7 G HA3 0.730 4.691 3.960 0.001 0.000 0.334 7 G C -1.422 173.424 174.900 -0.091 0.000 1.150 7 G CA -0.403 44.618 45.100 -0.131 0.000 0.923 7 G HN 0.518 nan 8.290 nan 0.000 0.485 8 I N 0.219 120.681 120.570 -0.180 0.000 2.619 8 I HA 0.513 4.684 4.170 0.001 0.000 0.292 8 I C -1.119 174.809 176.117 -0.314 0.000 1.100 8 I CA -1.094 60.087 61.300 -0.198 0.000 1.043 8 I CB 1.837 39.752 38.000 -0.142 0.000 1.239 8 I HN 0.471 nan 8.210 nan 0.000 0.420 9 Y N 3.609 123.886 120.300 -0.039 0.000 2.392 9 Y HA 0.376 4.927 4.550 0.002 0.000 0.323 9 Y C 0.925 176.794 175.900 -0.052 0.000 1.291 9 Y CA -0.352 57.728 58.100 -0.033 0.000 1.345 9 Y CB 0.993 39.440 38.460 -0.022 0.000 1.320 9 Y HN 0.537 nan 8.280 nan 0.000 0.518 10 S N 0.785 116.576 115.700 0.152 0.000 2.580 10 S HA 0.211 4.682 4.470 0.001 0.000 0.274 10 S C -0.351 174.279 174.600 0.050 0.000 1.329 10 S CA -1.135 57.104 58.200 0.064 0.000 1.036 10 S CB 0.778 64.010 63.200 0.054 0.000 0.919 10 S HN 0.601 nan 8.310 nan 0.000 0.515 11 K N 1.436 121.845 120.400 0.014 0.000 2.401 11 K HA 0.073 4.394 4.320 0.001 0.000 0.278 11 K C -0.055 176.545 176.600 0.001 0.000 1.018 11 K CA -0.147 56.140 56.287 0.000 0.000 0.981 11 K CB 0.348 32.839 32.500 -0.014 0.000 0.933 11 K HN 0.624 nan 8.250 nan 0.000 0.477 12 E N 2.924 123.120 120.200 -0.006 0.000 2.314 12 E HA 0.003 4.353 4.350 0.001 0.000 0.262 12 E C 0.562 177.156 176.600 -0.009 0.000 1.093 12 E CA -0.181 56.213 56.400 -0.010 0.000 0.908 12 E CB 1.371 31.059 29.700 -0.020 0.000 1.091 12 E HN 0.578 nan 8.360 nan 0.000 0.425 13 K N 1.114 121.510 120.400 -0.007 0.000 2.074 13 K HA -0.185 4.136 4.320 0.001 0.000 0.209 13 K C 0.903 177.499 176.600 -0.007 0.000 1.048 13 K CA 1.493 57.776 56.287 -0.006 0.000 0.926 13 K CB 0.254 32.751 32.500 -0.004 0.000 0.713 13 K HN 0.277 nan 8.250 nan 0.000 0.444 14 E N 0.752 120.947 120.200 -0.008 0.000 2.479 14 E HA 0.028 4.379 4.350 0.001 0.000 0.193 14 E C -0.409 176.187 176.600 -0.008 0.000 1.049 14 E CA 0.284 56.679 56.400 -0.007 0.000 0.870 14 E CB 0.406 30.102 29.700 -0.007 0.000 0.944 14 E HN 0.421 nan 8.360 nan 0.000 0.492 15 E N 0.694 120.888 120.200 -0.010 0.000 2.313 15 E HA 0.044 4.395 4.350 0.001 0.000 0.272 15 E C 0.256 176.849 176.600 -0.011 0.000 1.038 15 E CA -0.153 56.240 56.400 -0.011 0.000 0.863 15 E CB 1.138 30.830 29.700 -0.014 0.000 1.060 15 E HN -0.076 nan 8.360 nan 0.000 0.402 16 D N 1.960 122.354 120.400 -0.011 0.000 2.249 16 D HA -0.083 4.558 4.640 0.001 0.000 0.205 16 D C -0.265 176.023 176.300 -0.019 0.000 0.962 16 D CA 0.733 54.726 54.000 -0.011 0.000 0.860 16 D CB 0.449 41.244 40.800 -0.007 0.000 0.955 16 D HN 0.496 nan 8.370 nan 0.000 0.505 17 E N -0.871 119.312 120.200 -0.028 0.000 2.412 17 E HA 0.375 4.726 4.350 0.001 0.000 0.279 17 E C -2.841 173.719 176.600 -0.068 0.000 0.984 17 E CA -2.144 54.226 56.400 -0.049 0.000 0.788 17 E CB 1.724 31.391 29.700 -0.055 0.000 1.277 17 E HN -0.163 nan 8.360 nan 0.000 0.455 18 P HA 0.009 nan 4.420 nan 0.000 0.271 18 P C -0.798 176.402 177.300 -0.167 0.000 1.216 18 P CA -0.196 62.842 63.100 -0.103 0.000 0.776 18 P CB 0.694 32.323 31.700 -0.119 0.000 0.881 19 Q N 1.973 121.740 119.800 -0.055 0.000 2.256 19 Q HA 0.343 4.684 4.340 0.001 0.000 0.254 19 Q C 0.026 176.053 176.000 0.045 0.000 0.916 19 Q CA -0.421 55.381 55.803 -0.002 0.000 0.932 19 Q CB 0.367 29.164 28.738 0.100 0.000 1.207 19 Q HN 0.371 nan 8.270 nan 0.000 0.426 20 F N 0.800 120.811 119.950 0.102 0.000 2.399 20 F HA 0.099 4.627 4.527 0.001 0.000 0.313 20 F C 1.653 177.520 175.800 0.112 0.000 1.202 20 F CA -0.245 57.785 58.000 0.049 0.000 1.192 20 F CB 0.239 39.258 39.000 0.032 0.000 1.256 20 F HN 0.430 nan 8.300 nan 0.000 0.558 21 T N -2.130 112.586 114.554 0.270 0.000 2.698 21 T HA 0.116 4.466 4.350 0.001 0.000 0.295 21 T C 1.213 176.027 174.700 0.189 0.000 1.007 21 T CA -0.289 61.950 62.100 0.231 0.000 0.980 21 T CB 0.456 69.374 68.868 0.083 0.000 1.036 21 T HN 0.458 nan 8.240 nan 0.000 0.526 22 S N 0.667 116.454 115.700 0.144 0.000 2.356 22 S HA -0.073 4.398 4.470 0.001 0.000 0.223 22 S C 2.523 177.166 174.600 0.072 0.000 1.032 22 S CA 1.050 59.309 58.200 0.098 0.000 1.005 22 S CB -1.094 62.148 63.200 0.071 0.000 0.867 22 S HN 0.873 nan 8.310 nan 0.000 0.449 23 A N 1.567 124.426 122.820 0.066 0.000 1.933 23 A HA 0.087 4.408 4.320 0.001 0.000 0.218 23 A C 2.331 179.924 177.584 0.016 0.000 1.175 23 A CA 1.707 53.787 52.037 0.072 0.000 0.628 23 A CB -1.414 17.660 19.000 0.123 0.000 0.814 23 A HN 0.519 nan 8.150 nan 0.000 0.444 24 G N -0.507 108.270 108.800 -0.038 0.000 2.421 24 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 24 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 24 G C 1.482 176.185 174.900 -0.329 0.000 1.171 24 G CA 1.310 46.269 45.100 -0.235 0.000 0.775 24 G HN 0.525 nan 8.290 nan 0.000 0.543 25 E N 0.978 121.139 120.200 -0.065 0.000 2.150 25 E HA -0.036 4.314 4.350 0.001 0.000 0.193 25 E C 2.215 178.803 176.600 -0.019 0.000 0.985 25 E CA 1.142 57.539 56.400 -0.003 0.000 0.814 25 E CB -0.543 29.241 29.700 0.140 0.000 0.752 25 E HN 0.605 nan 8.360 nan 0.000 0.466 26 N N -1.111 117.595 118.700 0.009 0.000 2.120 26 N HA -0.132 4.609 4.740 0.001 0.000 0.188 26 N C 1.505 177.019 175.510 0.006 0.000 1.024 26 N CA 1.051 54.111 53.050 0.016 0.000 0.852 26 N CB -0.256 38.252 38.487 0.036 0.000 1.003 26 N HN 0.141 nan 8.380 nan 0.000 0.424 27 F N 2.000 121.874 119.950 -0.128 0.000 2.146 27 F HA -0.109 4.419 4.527 0.001 0.000 0.298 27 F C 2.170 177.871 175.800 -0.164 0.000 1.096 27 F CA 1.142 59.051 58.000 -0.152 0.000 1.275 27 F CB -0.295 38.564 39.000 -0.234 0.000 1.008 27 F HN -0.028 nan 8.300 nan 0.000 0.480 28 N N 0.805 119.432 118.700 -0.122 0.000 2.104 28 N HA -0.257 4.483 4.740 0.001 0.000 0.190 28 N C 1.925 177.347 175.510 -0.147 0.000 1.024 28 N CA 1.802 54.752 53.050 -0.168 0.000 0.853 28 N CB -0.374 38.003 38.487 -0.184 0.000 1.008 28 N HN 0.376 nan 8.380 nan 0.000 0.424 29 K N -0.320 120.016 120.400 -0.106 0.000 2.057 29 K HA -0.124 4.196 4.320 0.001 0.000 0.207 29 K C 1.955 178.486 176.600 -0.114 0.000 1.049 29 K CA 1.024 57.265 56.287 -0.077 0.000 0.931 29 K CB -0.310 32.165 32.500 -0.041 0.000 0.714 29 K HN 0.211 nan 8.250 nan 0.000 0.440 30 L N 1.156 122.275 121.223 -0.174 0.000 2.079 30 L HA -0.121 4.219 4.340 0.001 0.000 0.210 30 L C 1.615 178.366 176.870 -0.198 0.000 1.081 30 L CA 1.598 56.325 54.840 -0.189 0.000 0.752 30 L CB -0.240 41.660 42.059 -0.265 0.000 0.896 30 L HN 0.176 nan 8.230 nan 0.000 0.433 31 V N -3.534 116.203 119.914 -0.296 0.000 3.252 31 V HA 0.317 4.437 4.120 0.001 0.000 0.350 31 V C 0.994 177.015 176.094 -0.121 0.000 1.329 31 V CA 0.195 62.369 62.300 -0.210 0.000 1.258 31 V CB -1.098 30.555 31.823 -0.283 0.000 1.208 31 V HN 0.470 nan 8.190 nan 0.000 0.462 32 S N 0.949 116.591 115.700 -0.097 0.000 3.581 32 S HA -0.173 4.298 4.470 0.001 0.000 0.354 32 S C 1.547 176.120 174.600 -0.044 0.000 1.059 32 S CA 1.486 59.651 58.200 -0.058 0.000 1.060 32 S CB -1.766 61.408 63.200 -0.044 0.000 0.908 32 S HN 2.416 nan 8.310 nan 0.000 0.475 33 G N -0.055 108.716 108.800 -0.050 0.000 2.179 33 G HA2 -0.350 3.611 3.960 0.001 0.000 0.260 33 G HA3 -0.350 3.611 3.960 0.001 0.000 0.260 33 G C 0.736 175.622 174.900 -0.023 0.000 0.977 33 G CA 0.636 45.723 45.100 -0.020 0.000 0.641 33 G HN 0.495 nan 8.290 nan 0.000 0.533 34 K N -0.241 120.133 120.400 -0.043 0.000 2.211 34 K HA 0.149 4.469 4.320 0.001 0.000 0.203 34 K C 2.361 178.927 176.600 -0.057 0.000 1.050 34 K CA 1.321 57.584 56.287 -0.040 0.000 0.945 34 K CB -0.496 31.986 32.500 -0.030 0.000 0.732 34 K HN 0.569 nan 8.250 nan 0.000 0.451 35 L N 1.182 122.379 121.223 -0.042 0.000 2.027 35 L HA -0.091 4.250 4.340 0.001 0.000 0.206 35 L C 2.442 179.291 176.870 -0.035 0.000 1.074 35 L CA 1.670 56.474 54.840 -0.060 0.000 0.745 35 L CB -0.408 41.639 42.059 -0.021 0.000 0.898 35 L HN -0.006 nan 8.230 nan 0.000 0.433 36 R N 0.081 120.633 120.500 0.087 0.000 2.081 36 R HA -0.185 4.156 4.340 0.001 0.000 0.235 36 R C 2.303 178.609 176.300 0.009 0.000 1.131 36 R CA 1.966 58.158 56.100 0.154 0.000 0.960 36 R CB -0.623 29.790 30.300 0.187 0.000 0.856 36 R HN 0.619 nan 8.270 nan 0.000 0.436 37 E N -0.455 119.731 120.200 -0.023 0.000 2.058 37 E HA -0.210 4.140 4.350 0.001 0.000 0.194 37 E C 1.760 178.307 176.600 -0.089 0.000 0.997 37 E CA 1.543 57.918 56.400 -0.042 0.000 0.801 37 E CB -0.164 29.517 29.700 -0.032 0.000 0.746 37 E HN 0.354 nan 8.360 nan 0.000 0.450 38 I N 0.685 121.148 120.570 -0.178 0.000 2.315 38 I HA -0.190 3.981 4.170 0.001 0.000 0.248 38 I C 2.175 178.062 176.117 -0.384 0.000 1.117 38 I CA 0.617 61.748 61.300 -0.282 0.000 1.404 38 I CB -0.228 37.534 38.000 -0.397 0.000 1.071 38 I HN 0.223 nan 8.210 nan 0.000 0.419 39 L N 0.555 121.504 121.223 -0.456 0.000 2.046 39 L HA -0.228 4.113 4.340 0.001 0.000 0.208 39 L C 2.076 178.929 176.870 -0.028 0.000 1.077 39 L CA 1.988 56.699 54.840 -0.214 0.000 0.747 39 L CB -1.238 40.792 42.059 -0.047 0.000 0.896 39 L HN 0.338 nan 8.230 nan 0.000 0.432 40 N N -0.642 118.032 118.700 -0.042 0.000 2.120 40 N HA -0.183 4.558 4.740 0.001 0.000 0.188 40 N C 1.940 177.453 175.510 0.006 0.000 1.024 40 N CA 1.521 54.564 53.050 -0.011 0.000 0.852 40 N CB -0.171 38.308 38.487 -0.014 0.000 1.003 40 N HN 0.367 nan 8.380 nan 0.000 0.424 41 I N 0.777 121.346 120.570 -0.002 0.000 2.286 41 I HA -0.235 3.936 4.170 0.001 0.000 0.248 41 I C 2.325 178.476 176.117 0.057 0.000 1.115 41 I CA 0.913 62.226 61.300 0.022 0.000 1.392 41 I CB -0.293 37.716 38.000 0.015 0.000 1.065 41 I HN 0.232 nan 8.210 nan 0.000 0.418 42 S N -0.014 115.743 115.700 0.095 0.000 2.507 42 S HA 0.129 4.599 4.470 0.001 0.000 0.235 42 S C 1.176 175.838 174.600 0.103 0.000 0.988 42 S CA 0.504 58.795 58.200 0.153 0.000 0.944 42 S CB -0.258 63.137 63.200 0.325 0.000 0.762 42 S HN 0.668 nan 8.310 nan 0.000 0.526 43 G N 1.770 110.613 108.800 0.072 0.000 2.456 43 G HA2 -0.000 3.960 3.960 0.001 0.000 0.204 43 G HA3 -0.000 3.960 3.960 0.001 0.000 0.204 43 G C -2.785 172.139 174.900 0.040 0.000 1.193 43 G CA -0.476 44.654 45.100 0.050 0.000 1.220 43 G HN 0.501 nan 8.290 nan 0.000 0.565 44 P HA 0.346 nan 4.420 nan 0.000 0.269 44 P C -2.300 175.014 177.300 0.024 0.000 1.209 44 P CA -0.488 62.626 63.100 0.023 0.000 0.776 44 P CB 0.101 31.813 31.700 0.019 0.000 0.876 45 P HA 0.138 nan 4.420 nan 0.000 0.269 45 P C -0.298 177.006 177.300 0.007 0.000 1.215 45 P CA -0.079 63.023 63.100 0.003 0.000 0.780 45 P CB 0.729 32.423 31.700 -0.010 0.000 0.898 46 L N 2.254 123.479 121.223 0.003 0.000 2.315 46 L HA 0.208 4.549 4.340 0.001 0.000 0.283 46 L C 1.238 178.104 176.870 -0.007 0.000 1.089 46 L CA -0.174 54.666 54.840 -0.000 0.000 0.833 46 L CB 0.151 42.211 42.059 0.001 0.000 1.170 46 L HN 0.307 nan 8.230 nan 0.000 0.442 47 K N 2.211 122.610 120.400 -0.002 0.000 2.127 47 K HA 0.563 4.883 4.320 0.001 0.000 0.240 47 K C 0.075 176.676 176.600 0.001 0.000 1.024 47 K CA -0.850 55.439 56.287 0.004 0.000 0.918 47 K CB 0.867 33.372 32.500 0.009 0.000 1.108 47 K HN 0.623 nan 8.250 nan 0.000 0.485 48 A N 0.494 123.320 122.820 0.011 0.000 2.566 48 A HA 0.294 4.615 4.320 0.001 0.000 0.245 48 A C 1.155 178.741 177.584 0.004 0.000 1.056 48 A CA 1.075 53.117 52.037 0.009 0.000 0.757 48 A CB -1.186 17.828 19.000 0.023 0.000 0.979 48 A HN 0.900 nan 8.150 nan 0.000 0.508 49 G N 1.794 110.589 108.800 -0.007 0.000 2.199 49 G HA2 -0.219 3.742 3.960 0.001 0.000 0.254 49 G HA3 -0.219 3.742 3.960 0.001 0.000 0.254 49 G C 0.384 175.277 174.900 -0.012 0.000 0.982 49 G CA 0.662 45.760 45.100 -0.005 0.000 0.632 49 G HN 0.758 nan 8.290 nan 0.000 0.529 50 K N 1.092 121.482 120.400 -0.016 0.000 2.098 50 K HA 0.706 5.027 4.320 0.001 0.000 0.257 50 K C 0.605 177.182 176.600 -0.040 0.000 0.999 50 K CA 0.496 56.770 56.287 -0.023 0.000 0.924 50 K CB 1.374 33.864 32.500 -0.016 0.000 1.028 50 K HN 0.645 nan 8.250 nan 0.000 0.466 51 T N -1.573 112.949 114.554 -0.055 0.000 2.896 51 T HA 0.702 5.053 4.350 0.001 0.000 0.297 51 T C -0.742 173.881 174.700 -0.128 0.000 1.108 51 T CA -1.003 61.044 62.100 -0.087 0.000 1.004 51 T CB 2.448 71.259 68.868 -0.096 0.000 1.159 51 T HN 0.541 nan 8.240 nan 0.000 0.499 52 R N 0.204 120.577 120.500 -0.212 0.000 2.626 52 R HA 0.617 4.958 4.340 0.001 0.000 0.274 52 R C -1.430 174.472 176.300 -0.665 0.000 1.031 52 R CA -0.527 55.342 56.100 -0.385 0.000 0.898 52 R CB 2.390 32.485 30.300 -0.341 0.000 1.222 52 R HN 0.865 nan 8.270 nan 0.000 0.455 53 T N 3.676 117.763 114.554 -0.778 0.000 2.797 53 T HA 0.547 4.897 4.350 0.001 0.000 0.279 53 T C -1.182 172.851 174.700 -1.112 0.000 0.991 53 T CA -0.279 61.316 62.100 -0.842 0.000 0.979 53 T CB 0.523 69.029 68.868 -0.604 0.000 0.943 53 T HN 0.216 nan 8.240 nan 0.000 0.444 54 F N 2.263 121.962 119.950 -0.419 0.000 2.493 54 F HA 0.558 5.086 4.527 0.001 0.000 0.329 54 F C -0.438 175.155 175.800 -0.344 0.000 1.126 54 F CA -1.410 56.416 58.000 -0.291 0.000 0.937 54 F CB 1.016 39.957 39.000 -0.098 0.000 1.146 54 F HN 0.483 nan 8.300 nan 0.000 0.442 55 Y N -0.160 120.262 120.300 0.203 0.000 2.419 55 Y HA 0.533 5.084 4.550 0.001 0.000 0.328 55 Y C 1.099 177.086 175.900 0.145 0.000 1.162 55 Y CA -0.982 57.201 58.100 0.138 0.000 1.174 55 Y CB 1.684 40.196 38.460 0.087 0.000 1.228 55 Y HN 0.842 nan 8.280 nan 0.000 0.473 56 G N 1.342 110.323 108.800 0.302 0.000 2.203 56 G HA2 -0.286 3.675 3.960 0.001 0.000 0.263 56 G HA3 -0.286 3.675 3.960 0.001 0.000 0.263 56 G C 0.585 175.601 174.900 0.193 0.000 1.012 56 G CA 0.692 45.918 45.100 0.211 0.000 0.749 56 G HN 0.687 nan 8.290 nan 0.000 0.512 57 L N -1.623 119.750 121.223 0.250 0.000 2.240 57 L HA 0.237 4.578 4.340 0.001 0.000 0.211 57 L C 1.140 178.186 176.870 0.293 0.000 1.106 57 L CA 1.221 56.215 54.840 0.257 0.000 0.793 57 L CB 0.088 42.354 42.059 0.345 0.000 0.927 57 L HN 0.539 nan 8.230 nan 0.000 0.446 58 H N -1.463 117.751 119.070 0.240 0.000 3.085 58 H HA 0.061 4.618 4.556 0.001 0.000 0.356 58 H C 0.522 175.940 175.328 0.150 0.000 1.178 58 H CA -0.484 55.681 56.048 0.194 0.000 1.214 58 H CB 1.229 31.192 29.762 0.336 0.000 1.881 58 H HN 0.091 nan 8.280 nan 0.000 0.538 59 E N 1.967 122.078 120.200 -0.147 0.000 2.118 59 E HA -0.232 4.119 4.350 0.001 0.000 0.195 59 E C 0.272 176.906 176.600 0.057 0.000 0.992 59 E CA 1.729 58.103 56.400 -0.043 0.000 0.804 59 E CB 0.098 29.712 29.700 -0.144 0.000 0.741 59 E HN 0.571 nan 8.360 nan 0.000 0.458 60 D N -0.166 120.357 120.400 0.205 0.000 2.317 60 D HA 0.000 4.641 4.640 0.001 0.000 0.211 60 D C -0.314 175.689 176.300 -0.495 0.000 0.966 60 D CA 0.703 54.578 54.000 -0.207 0.000 0.876 60 D CB 0.084 40.617 40.800 -0.445 0.000 0.927 60 D HN 0.194 nan 8.370 nan 0.000 0.519 61 F N -0.536 119.551 119.950 0.229 0.000 2.809 61 F HA 0.301 4.829 4.527 0.001 0.000 0.369 61 F C -1.886 173.994 175.800 0.134 0.000 1.225 61 F CA -2.110 55.960 58.000 0.117 0.000 1.201 61 F CB 1.945 40.965 39.000 0.034 0.000 1.527 61 F HN -0.251 nan 8.300 nan 0.000 0.565 62 P HA -0.064 nan 4.420 nan 0.000 0.220 62 P C -0.066 177.389 177.300 0.259 0.000 1.148 62 P CA 1.237 64.473 63.100 0.226 0.000 0.803 62 P CB 0.369 32.168 31.700 0.166 0.000 0.782 63 S N -0.664 115.151 115.700 0.193 0.000 2.605 63 S HA 0.420 4.890 4.470 0.001 0.000 0.308 63 S C -0.742 173.823 174.600 -0.059 0.000 1.113 63 S CA -0.543 57.691 58.200 0.058 0.000 1.049 63 S CB 1.588 64.842 63.200 0.090 0.000 1.001 63 S HN -0.336 nan 8.310 nan 0.000 0.480 64 V N 4.213 124.030 119.914 -0.161 0.000 2.444 64 V HA 0.457 4.578 4.120 0.001 0.000 0.294 64 V C -0.492 175.448 176.094 -0.256 0.000 1.022 64 V CA -0.642 61.512 62.300 -0.242 0.000 0.850 64 V CB 1.782 33.454 31.823 -0.251 0.000 0.992 64 V HN 0.662 nan 8.190 nan 0.000 0.426 65 V N 6.116 125.872 119.914 -0.264 0.000 2.347 65 V HA 0.412 4.533 4.120 0.001 0.000 0.280 65 V C 0.029 176.010 176.094 -0.188 0.000 1.021 65 V CA -0.566 61.586 62.300 -0.246 0.000 0.847 65 V CB 1.709 33.411 31.823 -0.202 0.000 0.990 65 V HN 0.599 nan 8.190 nan 0.000 0.444 66 V N 6.150 125.987 119.914 -0.128 0.000 2.509 66 V HA 0.552 4.673 4.120 0.001 0.000 0.284 66 V C 0.044 176.105 176.094 -0.055 0.000 1.047 66 V CA -0.400 61.885 62.300 -0.025 0.000 0.952 66 V CB 1.779 33.710 31.823 0.180 0.000 0.988 66 V HN 0.757 nan 8.190 nan 0.000 0.469 67 V N 1.713 121.593 119.914 -0.057 0.000 2.735 67 V HA 0.935 5.056 4.120 0.001 0.000 0.310 67 V C 0.332 176.383 176.094 -0.071 0.000 1.061 67 V CA -0.562 61.698 62.300 -0.067 0.000 0.913 67 V CB 1.544 33.320 31.823 -0.078 0.000 1.005 67 V HN 0.911 nan 8.190 nan 0.000 0.428 68 G N 2.878 111.643 108.800 -0.058 0.000 2.364 68 G HA2 0.491 4.452 3.960 0.001 0.000 0.267 68 G HA3 0.491 4.452 3.960 0.001 0.000 0.267 68 G C 0.175 175.032 174.900 -0.071 0.000 1.233 68 G CA -0.539 44.525 45.100 -0.061 0.000 0.885 68 G HN 0.925 nan 8.290 nan 0.000 0.490 69 L N 2.437 123.595 121.223 -0.109 0.000 2.640 69 L HA 0.282 4.623 4.340 0.001 0.000 0.230 69 L C 1.725 178.629 176.870 0.056 0.000 1.123 69 L CA 0.503 55.296 54.840 -0.079 0.000 0.900 69 L CB -0.584 41.312 42.059 -0.271 0.000 1.146 69 L HN 0.939 nan 8.230 nan 0.000 0.484 70 G N 1.189 110.030 108.800 0.069 0.000 2.553 70 G HA2 -0.318 3.643 3.960 0.001 0.000 0.242 70 G HA3 -0.318 3.643 3.960 0.001 0.000 0.242 70 G C -0.180 174.822 174.900 0.170 0.000 1.277 70 G CA -0.321 44.837 45.100 0.097 0.000 0.910 70 G HN 0.188 nan 8.290 nan 0.000 0.576 71 K N 0.858 121.325 120.400 0.112 0.000 2.379 71 K HA 0.265 4.586 4.320 0.001 0.000 0.284 71 K C 1.678 178.306 176.600 0.046 0.000 1.044 71 K CA 0.416 56.745 56.287 0.070 0.000 0.974 71 K CB 0.696 33.212 32.500 0.026 0.000 0.962 71 K HN 0.626 nan 8.250 nan 0.000 0.474 72 K N 2.184 122.508 120.400 -0.127 0.000 2.063 72 K HA -0.149 4.172 4.320 0.001 0.000 0.208 72 K C 1.308 177.778 176.600 -0.216 0.000 1.048 72 K CA 1.843 57.845 56.287 -0.475 0.000 0.928 72 K CB 0.031 31.944 32.500 -0.979 0.000 0.713 72 K HN 0.591 nan 8.250 nan 0.000 0.442 73 T N 0.007 114.479 114.554 -0.138 0.000 3.235 73 T HA 0.310 4.661 4.350 0.001 0.000 0.251 73 T C -0.263 174.408 174.700 -0.048 0.000 1.060 73 T CA 0.012 62.063 62.100 -0.080 0.000 0.949 73 T CB -0.292 68.531 68.868 -0.075 0.000 1.020 73 T HN 0.329 nan 8.240 nan 0.000 0.564 74 A N 0.573 123.375 122.820 -0.030 0.000 2.515 74 A HA 0.573 4.893 4.320 0.001 0.000 0.263 74 A C 1.100 178.606 177.584 -0.130 0.000 1.096 74 A CA 0.111 52.124 52.037 -0.040 0.000 0.769 74 A CB -0.211 18.790 19.000 0.003 0.000 1.040 74 A HN 0.588 nan 8.150 nan 0.000 0.505 75 G N 1.359 110.030 108.800 -0.214 0.000 3.099 75 G HA2 0.504 4.465 3.960 0.001 0.000 0.151 75 G HA3 0.504 4.465 3.960 0.001 0.000 0.151 75 G C -0.009 174.571 174.900 -0.533 0.000 1.265 75 G CA -0.932 43.877 45.100 -0.485 0.000 0.981 75 G HN 0.680 nan 8.290 nan 0.000 0.601 76 I N 1.655 122.016 120.570 -0.349 0.000 2.517 76 I HA 0.057 4.228 4.170 0.001 0.000 0.285 76 I C -0.449 175.657 176.117 -0.018 0.000 1.106 76 I CA -0.042 61.180 61.300 -0.130 0.000 1.402 76 I CB 0.885 38.862 38.000 -0.038 0.000 1.399 76 I HN 0.217 nan 8.210 nan 0.000 0.535 77 D N 7.469 127.921 120.400 0.087 0.000 2.380 77 D HA 0.040 4.681 4.640 0.001 0.000 0.230 77 D C 0.999 177.344 176.300 0.075 0.000 1.154 77 D CA -0.256 53.805 54.000 0.102 0.000 0.859 77 D CB 1.011 41.933 40.800 0.203 0.000 1.045 77 D HN 0.384 nan 8.370 nan 0.000 0.495 78 E N 2.658 122.891 120.200 0.056 0.000 2.265 78 E HA -0.172 4.178 4.350 0.001 0.000 0.196 78 E C 1.322 177.961 176.600 0.065 0.000 0.996 78 E CA 0.858 57.298 56.400 0.066 0.000 0.832 78 E CB 0.212 29.947 29.700 0.058 0.000 0.756 78 E HN 0.621 nan 8.360 nan 0.000 0.491 79 Q N 0.189 120.011 119.800 0.037 0.000 2.212 79 Q HA -0.015 4.326 4.340 0.001 0.000 0.199 79 Q C 1.545 177.521 176.000 -0.039 0.000 0.950 79 Q CA 0.706 56.519 55.803 0.017 0.000 0.863 79 Q CB 0.255 28.996 28.738 0.005 0.000 0.944 79 Q HN 0.326 nan 8.270 nan 0.000 0.465 80 E N 0.506 120.631 120.200 -0.126 0.000 2.472 80 E HA 0.060 4.411 4.350 0.001 0.000 0.196 80 E C -0.326 176.032 176.600 -0.405 0.000 1.033 80 E CA -0.161 55.990 56.400 -0.416 0.000 0.886 80 E CB 0.016 29.255 29.700 -0.768 0.000 0.944 80 E HN 0.422 nan 8.360 nan 0.000 0.492 81 N N 0.835 119.484 118.700 -0.085 0.000 2.740 81 N HA -0.172 4.568 4.740 0.001 0.000 0.248 81 N C -1.011 174.531 175.510 0.055 0.000 1.062 81 N CA 0.660 53.733 53.050 0.037 0.000 0.704 81 N CB -1.008 37.621 38.487 0.237 0.000 0.968 81 N HN 0.264 nan 8.380 nan 0.000 0.547 82 W N -1.166 120.138 121.300 0.008 0.000 3.005 82 W HA 0.449 5.110 4.660 0.001 0.000 0.343 82 W C -1.155 175.379 176.519 0.024 0.000 1.243 82 W CA -1.134 56.215 57.345 0.008 0.000 1.186 82 W CB 0.252 29.739 29.460 0.045 0.000 1.453 82 W HN -0.035 nan 8.180 nan 0.000 0.575 83 H N 2.805 121.985 119.070 0.183 0.000 2.846 83 H HA 0.131 4.687 4.556 0.001 0.000 0.278 83 H C 1.013 176.272 175.328 -0.115 0.000 1.117 83 H CA 1.060 57.130 56.048 0.038 0.000 1.406 83 H CB 0.939 30.683 29.762 -0.030 0.000 1.445 83 H HN 0.849 nan 8.280 nan 0.000 0.469 84 E N 3.058 123.234 120.200 -0.041 0.000 2.077 84 E HA -0.126 4.224 4.350 0.001 0.000 0.193 84 E C 1.866 178.445 176.600 -0.034 0.000 0.989 84 E CA 1.098 57.440 56.400 -0.098 0.000 0.800 84 E CB -0.116 29.619 29.700 0.058 0.000 0.746 84 E HN 0.933 nan 8.360 nan 0.000 0.452 85 G N 1.218 110.086 108.800 0.113 0.000 2.469 85 G HA2 -0.305 3.656 3.960 0.001 0.000 0.219 85 G HA3 -0.305 3.656 3.960 0.001 0.000 0.219 85 G C 1.528 176.481 174.900 0.087 0.000 1.150 85 G CA 1.120 46.325 45.100 0.176 0.000 0.763 85 G HN 0.226 nan 8.290 nan 0.000 0.561 86 K N 0.037 120.490 120.400 0.088 0.000 2.057 86 K HA -0.019 4.301 4.320 0.001 0.000 0.206 86 K C 2.447 178.915 176.600 -0.220 0.000 1.050 86 K CA 1.053 57.244 56.287 -0.160 0.000 0.935 86 K CB -0.082 32.250 32.500 -0.280 0.000 0.715 86 K HN 0.135 nan 8.250 nan 0.000 0.439 87 E N 1.039 121.068 120.200 -0.285 0.000 2.110 87 E HA -0.155 4.196 4.350 0.001 0.000 0.193 87 E C 1.617 178.082 176.600 -0.225 0.000 0.988 87 E CA 1.123 57.295 56.400 -0.380 0.000 0.804 87 E CB -0.278 28.924 29.700 -0.830 0.000 0.745 87 E HN 0.380 nan 8.360 nan 0.000 0.458 88 N N 0.281 118.887 118.700 -0.156 0.000 2.120 88 N HA -0.103 4.637 4.740 0.001 0.000 0.188 88 N C 2.094 177.558 175.510 -0.076 0.000 1.024 88 N CA 0.822 53.828 53.050 -0.074 0.000 0.852 88 N CB -0.080 38.397 38.487 -0.017 0.000 1.003 88 N HN 0.091 nan 8.380 nan 0.000 0.424 89 I N 1.147 121.659 120.570 -0.095 0.000 2.179 89 I HA -0.248 3.922 4.170 0.001 0.000 0.242 89 I C 2.323 178.346 176.117 -0.157 0.000 1.088 89 I CA 1.130 62.366 61.300 -0.108 0.000 1.357 89 I CB -0.204 37.733 38.000 -0.105 0.000 1.051 89 I HN 0.105 nan 8.210 nan 0.000 0.409 90 R N 0.789 121.135 120.500 -0.257 0.000 2.083 90 R HA -0.167 4.174 4.340 0.001 0.000 0.237 90 R C 2.468 178.653 176.300 -0.192 0.000 1.137 90 R CA 1.619 57.475 56.100 -0.406 0.000 0.951 90 R CB -0.568 29.178 30.300 -0.923 0.000 0.851 90 R HN 0.391 nan 8.270 nan 0.000 0.434 91 A N 1.282 124.079 122.820 -0.038 0.000 1.877 91 A HA -0.107 4.214 4.320 0.001 0.000 0.216 91 A C 2.405 180.000 177.584 0.018 0.000 1.186 91 A CA 1.685 53.774 52.037 0.086 0.000 0.620 91 A CB -0.759 18.289 19.000 0.080 0.000 0.822 91 A HN 0.402 nan 8.150 nan 0.000 0.443 92 A N -0.629 122.176 122.820 -0.025 0.000 1.877 92 A HA -0.020 4.301 4.320 0.001 0.000 0.216 92 A C 2.242 179.801 177.584 -0.042 0.000 1.186 92 A CA 1.888 53.902 52.037 -0.037 0.000 0.620 92 A CB -0.999 17.966 19.000 -0.058 0.000 0.822 92 A HN 0.413 nan 8.150 nan 0.000 0.443 93 V N -0.175 119.709 119.914 -0.051 0.000 2.358 93 V HA -0.226 3.895 4.120 0.001 0.000 0.246 93 V C 3.045 179.127 176.094 -0.019 0.000 1.047 93 V CA 1.859 64.136 62.300 -0.039 0.000 1.035 93 V CB -1.209 30.590 31.823 -0.040 0.000 0.658 93 V HN 0.622 nan 8.190 nan 0.000 0.452 94 A N 0.072 122.888 122.820 -0.007 0.000 1.902 94 A HA -0.132 4.189 4.320 0.001 0.000 0.217 94 A C 2.441 180.037 177.584 0.021 0.000 1.181 94 A CA 2.128 54.183 52.037 0.029 0.000 0.623 94 A CB -0.799 18.257 19.000 0.094 0.000 0.818 94 A HN 0.564 nan 8.150 nan 0.000 0.443 95 A N -0.484 122.343 122.820 0.011 0.000 1.877 95 A HA 0.104 4.425 4.320 0.001 0.000 0.216 95 A C 2.436 180.006 177.584 -0.024 0.000 1.186 95 A CA 2.011 54.046 52.037 -0.004 0.000 0.620 95 A CB -1.436 17.558 19.000 -0.010 0.000 0.822 95 A HN 0.745 nan 8.150 nan 0.000 0.443 96 G N -0.994 107.784 108.800 -0.037 0.000 2.418 96 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 96 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 96 G C 1.583 176.456 174.900 -0.045 0.000 1.158 96 G CA 1.311 46.376 45.100 -0.059 0.000 0.771 96 G HN 0.525 nan 8.290 nan 0.000 0.545 97 C N 0.160 119.448 119.300 -0.020 0.000 2.425 97 C HA 0.059 4.519 4.460 0.001 0.000 0.277 97 C C 2.968 177.958 174.990 -0.001 0.000 1.280 97 C CA 0.554 59.570 59.018 -0.003 0.000 1.744 97 C CB -0.807 26.947 27.740 0.022 0.000 1.989 97 C HN 0.451 nan 8.230 nan 0.000 0.491 98 R N 0.458 120.958 120.500 0.001 0.000 2.096 98 R HA -0.179 4.162 4.340 0.001 0.000 0.235 98 R C 2.241 178.537 176.300 -0.008 0.000 1.127 98 R CA 1.592 57.693 56.100 0.002 0.000 0.968 98 R CB -0.402 29.901 30.300 0.006 0.000 0.861 98 R HN 0.509 nan 8.270 nan 0.000 0.440 99 Q N 1.039 120.827 119.800 -0.021 0.000 2.079 99 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 99 Q C 1.903 177.892 176.000 -0.018 0.000 0.974 99 Q CA 1.426 57.213 55.803 -0.028 0.000 0.840 99 Q CB -0.063 28.640 28.738 -0.058 0.000 0.898 99 Q HN 0.179 nan 8.270 nan 0.000 0.430 100 I N 0.678 121.235 120.570 -0.022 0.000 2.208 100 I HA -0.267 3.904 4.170 0.001 0.000 0.245 100 I C 2.370 178.491 176.117 0.007 0.000 1.097 100 I CA 1.731 63.025 61.300 -0.009 0.000 1.363 100 I CB -1.228 36.764 38.000 -0.014 0.000 1.051 100 I HN 0.515 nan 8.210 nan 0.000 0.413 101 Q N 0.406 120.209 119.800 0.005 0.000 2.119 101 Q HA -0.260 4.081 4.340 0.001 0.000 0.201 101 Q C 1.811 177.814 176.000 0.005 0.000 0.972 101 Q CA 1.902 57.709 55.803 0.006 0.000 0.847 101 Q CB 0.006 28.746 28.738 0.003 0.000 0.903 101 Q HN 0.391 nan 8.270 nan 0.000 0.433 102 D N -0.100 120.303 120.400 0.005 0.000 2.178 102 D HA -0.117 4.523 4.640 0.001 0.000 0.201 102 D C 1.384 177.693 176.300 0.015 0.000 0.980 102 D CA 0.774 54.778 54.000 0.006 0.000 0.842 102 D CB 0.030 40.833 40.800 0.005 0.000 0.948 102 D HN 0.299 nan 8.370 nan 0.000 0.472 103 L N 0.177 121.416 121.223 0.026 0.000 2.599 103 L HA 0.116 4.457 4.340 0.001 0.000 0.230 103 L C 0.194 177.082 176.870 0.031 0.000 1.141 103 L CA 0.313 55.179 54.840 0.043 0.000 0.877 103 L CB -0.345 41.762 42.059 0.080 0.000 1.009 103 L HN 0.057 nan 8.230 nan 0.000 0.447 104 E N -0.065 120.146 120.200 0.019 0.000 2.586 104 E HA -0.233 4.117 4.350 0.001 0.000 0.259 104 E C -0.073 176.538 176.600 0.018 0.000 1.107 104 E CA 0.222 56.630 56.400 0.013 0.000 0.754 104 E CB -1.541 28.163 29.700 0.007 0.000 1.335 104 E HN 0.467 nan 8.360 nan 0.000 0.411 105 I N 1.515 122.100 120.570 0.025 0.000 2.325 105 I HA 0.103 4.274 4.170 0.001 0.000 0.291 105 I C -0.727 175.404 176.117 0.024 0.000 1.019 105 I CA -1.944 59.374 61.300 0.030 0.000 1.302 105 I CB 0.760 38.785 38.000 0.042 0.000 1.401 105 I HN -0.081 nan 8.210 nan 0.000 0.485 106 P HA -0.037 nan 4.420 nan 0.000 0.229 106 P C 0.017 177.333 177.300 0.026 0.000 1.160 106 P CA 0.633 63.745 63.100 0.020 0.000 0.777 106 P CB 0.310 32.018 31.700 0.014 0.000 0.814 107 S N -1.120 114.600 115.700 0.032 0.000 2.548 107 S HA 0.595 5.066 4.470 0.001 0.000 0.276 107 S C -1.143 173.486 174.600 0.048 0.000 1.129 107 S CA -0.807 57.416 58.200 0.038 0.000 0.931 107 S CB 2.264 65.484 63.200 0.034 0.000 1.068 107 S HN -0.075 nan 8.310 nan 0.000 0.480 108 V N 1.687 121.626 119.914 0.043 0.000 2.841 108 V HA 0.598 4.718 4.120 0.001 0.000 0.310 108 V C -1.368 174.727 176.094 0.001 0.000 1.090 108 V CA -0.533 61.783 62.300 0.028 0.000 0.930 108 V CB 2.028 33.855 31.823 0.007 0.000 1.014 108 V HN 1.071 nan 8.190 nan 0.000 0.425 109 E N 3.874 124.055 120.200 -0.032 0.000 2.191 109 E HA 0.618 4.969 4.350 0.001 0.000 0.278 109 E C -1.371 175.114 176.600 -0.192 0.000 0.972 109 E CA -0.623 55.723 56.400 -0.089 0.000 0.804 109 E CB 2.334 32.052 29.700 0.030 0.000 1.110 109 E HN 0.536 nan 8.360 nan 0.000 0.394 110 V N 2.949 122.746 119.914 -0.196 0.000 2.448 110 V HA 0.071 4.191 4.120 0.001 0.000 0.295 110 V C -0.087 175.947 176.094 -0.099 0.000 1.025 110 V CA -0.967 61.256 62.300 -0.129 0.000 0.859 110 V CB 1.656 33.530 31.823 0.085 0.000 0.988 110 V HN 0.672 nan 8.190 nan 0.000 0.431 111 D N 7.563 127.902 120.400 -0.102 0.000 2.493 111 D HA 0.056 4.697 4.640 0.001 0.000 0.240 111 D C -1.133 175.191 176.300 0.040 0.000 1.142 111 D CA -1.378 52.602 54.000 -0.034 0.000 0.872 111 D CB 1.794 42.537 40.800 -0.095 0.000 1.173 111 D HN 0.295 nan 8.370 nan 0.000 0.467 112 P HA -0.046 nan 4.420 nan 0.000 0.226 112 P C 0.430 177.772 177.300 0.071 0.000 1.153 112 P CA 0.151 63.319 63.100 0.113 0.000 0.777 112 P CB -0.194 31.558 31.700 0.087 0.000 0.794 113 C N -1.175 118.150 119.300 0.043 0.000 4.268 113 C HA -0.060 4.401 4.460 0.001 0.000 0.299 113 C C 1.738 176.780 174.990 0.087 0.000 1.429 113 C CA 0.601 59.639 59.018 0.034 0.000 2.018 113 C CB -2.961 24.769 27.740 -0.016 0.000 1.277 113 C HN 0.613 nan 8.230 nan 0.000 0.767 114 G N -0.220 108.633 108.800 0.087 0.000 2.184 114 G HA2 -0.237 3.724 3.960 0.001 0.000 0.264 114 G HA3 -0.237 3.724 3.960 0.001 0.000 0.264 114 G C -0.225 174.692 174.900 0.027 0.000 0.975 114 G CA 0.849 45.997 45.100 0.079 0.000 0.642 114 G HN 0.956 nan 8.290 nan 0.000 0.536 115 D N -0.760 119.643 120.400 0.006 0.000 2.584 115 D HA 0.555 5.196 4.640 0.001 0.000 0.238 115 D C 1.279 177.551 176.300 -0.047 0.000 1.302 115 D CA 0.593 54.562 54.000 -0.051 0.000 0.884 115 D CB 0.236 40.975 40.800 -0.102 0.000 1.456 115 D HN 0.477 nan 8.370 nan 0.000 0.528 116 A N 2.365 125.187 122.820 0.002 0.000 1.948 116 A HA -0.249 4.072 4.320 0.001 0.000 0.220 116 A C 1.906 179.451 177.584 -0.064 0.000 1.177 116 A CA 1.933 54.021 52.037 0.084 0.000 0.636 116 A CB -0.321 18.780 19.000 0.168 0.000 0.815 116 A HN 0.593 nan 8.150 nan 0.000 0.449 117 Q N -0.755 118.939 119.800 -0.176 0.000 2.050 117 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 117 Q C 2.239 178.023 176.000 -0.360 0.000 0.980 117 Q CA 1.587 57.197 55.803 -0.322 0.000 0.840 117 Q CB -0.342 28.169 28.738 -0.378 0.000 0.898 117 Q HN 0.623 nan 8.270 nan 0.000 0.424 118 A N 0.678 123.321 122.820 -0.296 0.000 1.902 118 A HA -0.110 4.210 4.320 0.001 0.000 0.217 118 A C 2.258 179.670 177.584 -0.288 0.000 1.181 118 A CA 1.635 53.489 52.037 -0.304 0.000 0.623 118 A CB -0.923 17.920 19.000 -0.261 0.000 0.818 118 A HN 0.555 nan 8.150 nan 0.000 0.443 119 A N -0.052 122.648 122.820 -0.199 0.000 1.877 119 A HA 0.144 4.465 4.320 0.001 0.000 0.216 119 A C 2.524 179.926 177.584 -0.303 0.000 1.186 119 A CA 2.172 54.137 52.037 -0.120 0.000 0.620 119 A CB -1.078 17.987 19.000 0.108 0.000 0.822 119 A HN 1.074 nan 8.150 nan 0.000 0.443 120 A N -0.278 122.123 122.820 -0.697 0.000 1.902 120 A HA -0.183 4.138 4.320 0.001 0.000 0.217 120 A C 1.909 179.112 177.584 -0.634 0.000 1.181 120 A CA 1.735 53.009 52.037 -1.272 0.000 0.623 120 A CB -0.558 17.401 19.000 -1.735 0.000 0.818 120 A HN 0.645 nan 8.150 nan 0.000 0.443 121 E N -0.722 119.191 120.200 -0.478 0.000 2.077 121 E HA -0.122 4.229 4.350 0.001 0.000 0.193 121 E C 2.150 178.565 176.600 -0.309 0.000 0.989 121 E CA 0.854 57.042 56.400 -0.352 0.000 0.800 121 E CB -0.380 29.105 29.700 -0.358 0.000 0.746 121 E HN 0.613 nan 8.360 nan 0.000 0.452 122 G N 1.006 109.605 108.800 -0.334 0.000 2.418 122 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 122 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 122 G C 1.658 176.497 174.900 -0.102 0.000 1.158 122 G CA 0.876 45.826 45.100 -0.249 0.000 0.771 122 G HN 0.350 nan 8.290 nan 0.000 0.545 123 A N 0.117 122.876 122.820 -0.102 0.000 1.855 123 A HA 0.098 4.419 4.320 0.001 0.000 0.215 123 A C 2.611 180.196 177.584 0.001 0.000 1.191 123 A CA 1.904 53.934 52.037 -0.011 0.000 0.613 123 A CB -0.692 18.353 19.000 0.076 0.000 0.829 123 A HN 0.254 nan 8.150 nan 0.000 0.442 124 V N 0.119 119.999 119.914 -0.057 0.000 2.358 124 V HA -0.212 3.908 4.120 0.001 0.000 0.246 124 V C 2.553 178.676 176.094 0.048 0.000 1.047 124 V CA 1.818 64.112 62.300 -0.009 0.000 1.035 124 V CB -0.785 30.994 31.823 -0.074 0.000 0.658 124 V HN 0.531 nan 8.190 nan 0.000 0.452 125 L N 0.391 121.630 121.223 0.027 0.000 2.093 125 L HA -0.021 4.320 4.340 0.001 0.000 0.208 125 L C 2.648 179.612 176.870 0.158 0.000 1.085 125 L CA 1.624 56.523 54.840 0.100 0.000 0.755 125 L CB -1.095 41.048 42.059 0.139 0.000 0.904 125 L HN 0.466 nan 8.230 nan 0.000 0.435 126 G N 0.032 108.906 108.800 0.124 0.000 2.408 126 G HA2 -0.181 3.780 3.960 0.001 0.000 0.217 126 G HA3 -0.181 3.780 3.960 0.001 0.000 0.217 126 G C 1.609 176.570 174.900 0.103 0.000 1.150 126 G CA 0.412 45.584 45.100 0.121 0.000 0.776 126 G HN 0.229 nan 8.290 nan 0.000 0.542 127 L N -0.877 120.404 121.223 0.097 0.000 2.313 127 L HA 0.208 4.549 4.340 0.001 0.000 0.214 127 L C 1.288 178.205 176.870 0.079 0.000 1.119 127 L CA -0.526 54.358 54.840 0.075 0.000 0.809 127 L CB -0.251 41.847 42.059 0.064 0.000 0.933 127 L HN 0.222 nan 8.230 nan 0.000 0.449 128 Y N 2.086 122.408 120.300 0.036 0.000 2.805 128 Y HA -0.033 4.518 4.550 0.001 0.000 0.337 128 Y C 0.264 176.194 175.900 0.050 0.000 1.252 128 Y CA 0.366 58.491 58.100 0.043 0.000 1.515 128 Y CB 0.266 38.753 38.460 0.045 0.000 1.305 128 Y HN 0.056 nan 8.280 nan 0.000 0.600 129 E N 4.941 124.546 120.200 -0.991 0.000 2.343 129 E HA 0.107 4.458 4.350 0.001 0.000 0.286 129 E C -2.229 173.944 176.600 -0.712 0.000 0.915 129 E CA -0.851 55.184 56.400 -0.608 0.000 0.784 129 E CB 0.719 30.260 29.700 -0.265 0.000 1.251 129 E HN 0.585 nan 8.360 nan 0.000 0.407 130 Y N 4.947 124.964 120.300 -0.471 0.000 2.556 130 Y HA 0.240 4.791 4.550 0.001 0.000 0.352 130 Y C -0.307 175.520 175.900 -0.121 0.000 1.006 130 Y CA -0.179 57.798 58.100 -0.206 0.000 1.277 130 Y CB 0.523 39.006 38.460 0.038 0.000 1.136 130 Y HN 0.488 nan 8.280 nan 0.000 0.523 131 D N 1.081 121.159 120.400 -0.538 0.000 2.620 131 D HA 0.054 4.695 4.640 0.001 0.000 0.260 131 D C 0.499 176.534 176.300 -0.442 0.000 1.367 131 D CA -0.051 53.685 54.000 -0.440 0.000 0.805 131 D CB -0.121 40.534 40.800 -0.241 0.000 1.096 131 D HN 0.403 nan 8.370 nan 0.000 0.488 132 D N 0.802 120.826 120.400 -0.627 0.000 2.158 132 D HA -0.099 4.542 4.640 0.001 0.000 0.197 132 D C 1.588 177.740 176.300 -0.247 0.000 0.995 132 D CA 0.985 54.773 54.000 -0.352 0.000 0.846 132 D CB 0.129 40.774 40.800 -0.258 0.000 0.941 132 D HN 0.369 nan 8.370 nan 0.000 0.456 133 L N -0.393 120.652 121.223 -0.296 0.000 2.629 133 L HA 0.179 4.520 4.340 0.001 0.000 0.230 133 L C 0.423 177.227 176.870 -0.109 0.000 1.151 133 L CA 0.090 54.847 54.840 -0.138 0.000 0.924 133 L CB -0.011 42.008 42.059 -0.066 0.000 1.137 133 L HN -0.238 nan 8.230 nan 0.000 0.457 134 K N -0.138 120.182 120.400 -0.133 0.000 2.203 134 K HA 0.323 4.644 4.320 0.001 0.000 0.251 134 K C 0.211 176.765 176.600 -0.075 0.000 0.944 134 K CA -0.502 55.730 56.287 -0.093 0.000 0.829 134 K CB 2.130 34.570 32.500 -0.100 0.000 1.125 134 K HN -0.054 nan 8.250 nan 0.000 0.430 135 Q N 1.080 120.847 119.800 -0.054 0.000 2.137 135 Q HA -0.034 4.306 4.340 0.001 0.000 0.198 135 Q C -0.302 175.672 176.000 -0.044 0.000 0.960 135 Q CA 1.123 56.900 55.803 -0.043 0.000 0.847 135 Q CB 0.254 28.973 28.738 -0.032 0.000 0.915 135 Q HN 0.289 nan 8.270 nan 0.000 0.448 136 K N 1.314 121.687 120.400 -0.044 0.000 2.263 136 K HA 0.401 4.722 4.320 0.001 0.000 0.272 136 K C -0.718 175.851 176.600 -0.052 0.000 1.033 136 K CA -0.136 56.126 56.287 -0.041 0.000 0.884 136 K CB 1.387 33.868 32.500 -0.032 0.000 1.107 136 K HN -0.029 nan 8.250 nan 0.000 0.460 137 R N 1.861 122.330 120.500 -0.051 0.000 2.795 137 R HA 0.334 4.675 4.340 0.001 0.000 0.275 137 R C -0.552 175.719 176.300 -0.048 0.000 0.981 137 R CA -1.086 54.978 56.100 -0.061 0.000 0.917 137 R CB 1.999 32.255 30.300 -0.073 0.000 1.202 137 R HN 0.347 nan 8.270 nan 0.000 0.469 138 K N 0.630 121.001 120.400 -0.050 0.000 2.180 138 K HA 0.170 4.491 4.320 0.001 0.000 0.251 138 K C -0.071 176.509 176.600 -0.033 0.000 1.014 138 K CA -0.400 55.865 56.287 -0.037 0.000 0.913 138 K CB 0.661 33.139 32.500 -0.036 0.000 1.008 138 K HN 0.164 nan 8.250 nan 0.000 0.490 139 V N 2.153 122.055 119.914 -0.021 0.000 2.655 139 V HA -0.041 4.080 4.120 0.001 0.000 0.300 139 V C 0.235 176.320 176.094 -0.014 0.000 1.044 139 V CA -0.259 62.032 62.300 -0.015 0.000 1.095 139 V CB 1.031 32.851 31.823 -0.006 0.000 0.952 139 V HN 0.390 nan 8.190 nan 0.000 0.485 140 V N 6.284 126.190 119.914 -0.012 0.000 2.470 140 V HA 0.123 4.244 4.120 0.001 0.000 0.276 140 V C 0.227 176.325 176.094 0.007 0.000 1.040 140 V CA -0.009 62.287 62.300 -0.007 0.000 1.008 140 V CB 1.194 33.013 31.823 -0.006 0.000 0.990 140 V HN 0.603 nan 8.190 nan 0.000 0.477 141 V N 4.685 124.608 119.914 0.014 0.000 2.427 141 V HA 0.353 4.474 4.120 0.001 0.000 0.286 141 V C 0.391 176.510 176.094 0.042 0.000 1.034 141 V CA -0.197 62.119 62.300 0.027 0.000 0.893 141 V CB 1.892 33.732 31.823 0.028 0.000 0.982 141 V HN 0.855 nan 8.190 nan 0.000 0.452 142 S N 4.359 120.086 115.700 0.045 0.000 2.434 142 S HA 0.678 5.149 4.470 0.001 0.000 0.318 142 S C 0.016 174.660 174.600 0.072 0.000 1.062 142 S CA -0.397 57.838 58.200 0.058 0.000 1.116 142 S CB 0.339 63.566 63.200 0.045 0.000 0.977 142 S HN 1.032 nan 8.310 nan 0.000 0.480 143 A N 5.457 128.344 122.820 0.113 0.000 2.301 143 A HA 0.725 5.046 4.320 0.001 0.000 0.298 143 A C -0.107 177.593 177.584 0.193 0.000 1.185 143 A CA -0.497 51.634 52.037 0.156 0.000 0.830 143 A CB 0.544 19.680 19.000 0.227 0.000 1.112 143 A HN 0.824 nan 8.150 nan 0.000 0.508 144 K N 1.076 121.483 120.400 0.012 0.000 2.512 144 K HA 0.449 4.770 4.320 0.001 0.000 0.263 144 K C -1.170 174.957 176.600 -0.788 0.000 0.966 144 K CA -0.983 55.155 56.287 -0.248 0.000 0.851 144 K CB 2.110 34.519 32.500 -0.152 0.000 1.395 144 K HN 0.575 nan 8.250 nan 0.000 0.440 145 L N 2.064 122.438 121.223 -1.416 0.000 2.490 145 L HA 0.055 4.395 4.340 0.001 0.000 0.274 145 L C -0.298 176.261 176.870 -0.519 0.000 1.201 145 L CA 0.498 54.549 54.840 -1.315 0.000 0.869 145 L CB -0.083 41.326 42.059 -1.083 0.000 1.123 145 L HN 0.527 nan 8.230 nan 0.000 0.484 146 H N 4.927 123.732 119.070 -0.442 0.000 2.723 146 H HA 0.603 5.159 4.556 0.001 0.000 0.294 146 H C 0.260 175.472 175.328 -0.193 0.000 1.079 146 H CA 0.527 56.420 56.048 -0.258 0.000 1.411 146 H CB 0.041 29.657 29.762 -0.243 0.000 1.439 146 H HN 1.009 nan 8.280 nan 0.000 0.474 147 G N 2.698 111.235 108.800 -0.438 0.000 2.566 147 G HA2 -0.094 3.867 3.960 0.001 0.000 0.599 147 G HA3 -0.094 3.867 3.960 0.001 0.000 0.599 147 G C 0.158 174.932 174.900 -0.211 0.000 1.292 147 G CA -0.126 44.767 45.100 -0.345 0.000 0.922 147 G HN 1.175 nan 8.290 nan 0.000 0.514 148 S N -1.858 113.751 115.700 -0.150 0.000 2.900 148 S HA 0.359 4.830 4.470 0.001 0.000 0.253 148 S C 0.893 175.451 174.600 -0.071 0.000 1.029 148 S CA 0.764 58.902 58.200 -0.104 0.000 1.096 148 S CB 0.794 63.944 63.200 -0.084 0.000 1.067 148 S HN 0.659 nan 8.310 nan 0.000 0.610 149 E N 1.639 121.798 120.200 -0.068 0.000 2.318 149 E HA 0.052 4.403 4.350 0.001 0.000 0.193 149 E C -0.162 176.427 176.600 -0.019 0.000 0.998 149 E CA 0.524 56.901 56.400 -0.039 0.000 0.859 149 E CB 0.106 29.785 29.700 -0.035 0.000 0.812 149 E HN 0.573 nan 8.360 nan 0.000 0.492 150 D N 0.822 121.215 120.400 -0.012 0.000 2.891 150 D HA 0.073 4.714 4.640 0.001 0.000 0.312 150 D C 0.709 177.045 176.300 0.059 0.000 1.354 150 D CA 0.018 54.031 54.000 0.022 0.000 0.838 150 D CB 0.710 41.534 40.800 0.040 0.000 1.117 150 D HN 0.128 nan 8.370 nan 0.000 0.473 151 Q N 0.716 120.537 119.800 0.035 0.000 2.061 151 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 151 Q C 1.910 177.968 176.000 0.097 0.000 0.984 151 Q CA 1.282 57.124 55.803 0.064 0.000 0.846 151 Q CB 0.163 28.914 28.738 0.022 0.000 0.902 151 Q HN 0.386 nan 8.270 nan 0.000 0.421 152 E N 0.473 120.702 120.200 0.048 0.000 2.051 152 E HA -0.210 4.141 4.350 0.001 0.000 0.192 152 E C 1.952 178.556 176.600 0.006 0.000 0.991 152 E CA 1.048 57.464 56.400 0.026 0.000 0.799 152 E CB -0.090 29.612 29.700 0.003 0.000 0.748 152 E HN 0.345 nan 8.360 nan 0.000 0.449 153 A N 1.728 124.549 122.820 0.002 0.000 1.902 153 A HA -0.197 4.124 4.320 0.001 0.000 0.217 153 A C 2.066 179.628 177.584 -0.036 0.000 1.181 153 A CA 1.310 53.317 52.037 -0.050 0.000 0.623 153 A CB -1.279 17.696 19.000 -0.041 0.000 0.818 153 A HN 0.744 nan 8.150 nan 0.000 0.443 154 W N 0.540 121.784 121.300 -0.093 0.000 2.335 154 W HA -0.228 4.433 4.660 0.001 0.000 0.311 154 W C 1.950 178.424 176.519 -0.075 0.000 1.213 154 W CA 2.378 59.673 57.345 -0.083 0.000 1.274 154 W CB -0.423 29.003 29.460 -0.058 0.000 1.148 154 W HN 0.429 nan 8.180 nan 0.000 0.498 155 Q N 0.776 120.631 119.800 0.092 0.000 2.170 155 Q HA -0.186 4.155 4.340 0.001 0.000 0.203 155 Q C 2.419 178.365 176.000 -0.089 0.000 0.976 155 Q CA 1.869 57.682 55.803 0.015 0.000 0.858 155 Q CB -0.671 28.120 28.738 0.089 0.000 0.907 155 Q HN 0.280 nan 8.270 nan 0.000 0.433 156 R N -1.227 119.202 120.500 -0.118 0.000 2.096 156 R HA -0.093 4.248 4.340 0.001 0.000 0.235 156 R C 2.014 178.184 176.300 -0.216 0.000 1.127 156 R CA 1.417 57.429 56.100 -0.146 0.000 0.968 156 R CB -0.544 29.610 30.300 -0.244 0.000 0.861 156 R HN 0.402 nan 8.270 nan 0.000 0.440 157 G N -0.158 108.432 108.800 -0.350 0.000 2.402 157 G HA2 -0.184 3.776 3.960 0.001 0.000 0.216 157 G HA3 -0.184 3.776 3.960 0.001 0.000 0.216 157 G C 1.384 176.091 174.900 -0.320 0.000 1.162 157 G CA 0.764 45.617 45.100 -0.411 0.000 0.777 157 G HN 0.209 nan 8.290 nan 0.000 0.539 158 V N 0.825 120.515 119.914 -0.372 0.000 2.343 158 V HA -0.152 3.968 4.120 0.001 0.000 0.247 158 V C 2.682 178.716 176.094 -0.100 0.000 1.051 158 V CA 1.700 63.851 62.300 -0.250 0.000 1.036 158 V CB -0.490 31.218 31.823 -0.191 0.000 0.654 158 V HN 0.391 nan 8.190 nan 0.000 0.451 159 L N -1.288 119.909 121.223 -0.043 0.000 1.994 159 L HA -0.172 4.169 4.340 0.001 0.000 0.208 159 L C 2.386 179.284 176.870 0.046 0.000 1.071 159 L CA 1.905 56.750 54.840 0.009 0.000 0.745 159 L CB -0.332 41.751 42.059 0.041 0.000 0.892 159 L HN 0.207 nan 8.230 nan 0.000 0.431 160 F N 0.120 119.971 119.950 -0.164 0.000 2.095 160 F HA -0.230 4.298 4.527 0.001 0.000 0.298 160 F C 2.598 178.313 175.800 -0.141 0.000 1.104 160 F CA 1.369 59.279 58.000 -0.150 0.000 1.232 160 F CB -1.107 37.794 39.000 -0.164 0.000 0.987 160 F HN 0.171 nan 8.300 nan 0.000 0.475 161 A N -0.916 121.927 122.820 0.039 0.000 1.902 161 A HA -0.163 4.158 4.320 0.001 0.000 0.217 161 A C 2.402 179.947 177.584 -0.065 0.000 1.181 161 A CA 1.990 54.005 52.037 -0.037 0.000 0.623 161 A CB -1.101 17.845 19.000 -0.089 0.000 0.818 161 A HN 0.321 nan 8.150 nan 0.000 0.443 162 S N -0.347 115.315 115.700 -0.064 0.000 2.382 162 S HA -0.070 4.400 4.470 0.001 0.000 0.228 162 S C 2.035 176.571 174.600 -0.107 0.000 1.027 162 S CA 1.093 59.249 58.200 -0.074 0.000 0.991 162 S CB -0.594 62.574 63.200 -0.054 0.000 0.823 162 S HN 0.778 nan 8.310 nan 0.000 0.469 163 G N 0.881 109.610 108.800 -0.118 0.000 2.421 163 G HA2 -0.264 3.697 3.960 0.001 0.000 0.216 163 G HA3 -0.264 3.697 3.960 0.001 0.000 0.216 163 G C 1.270 176.082 174.900 -0.146 0.000 1.171 163 G CA 0.922 45.931 45.100 -0.152 0.000 0.775 163 G HN 0.528 nan 8.290 nan 0.000 0.543 164 Q N 0.137 119.861 119.800 -0.126 0.000 2.084 164 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 164 Q C 2.346 178.228 176.000 -0.196 0.000 0.978 164 Q CA 1.423 57.152 55.803 -0.122 0.000 0.844 164 Q CB -0.119 28.577 28.738 -0.069 0.000 0.898 164 Q HN 0.355 nan 8.270 nan 0.000 0.426 165 N N 0.493 119.042 118.700 -0.251 0.000 2.223 165 N HA -0.148 4.593 4.740 0.001 0.000 0.185 165 N C 1.606 176.886 175.510 -0.383 0.000 1.016 165 N CA 0.745 53.508 53.050 -0.479 0.000 0.863 165 N CB -0.268 37.954 38.487 -0.442 0.000 0.983 165 N HN 0.249 nan 8.380 nan 0.000 0.429 166 L N 0.979 122.075 121.223 -0.212 0.000 2.056 166 L HA 0.015 4.356 4.340 0.001 0.000 0.207 166 L C 2.035 178.818 176.870 -0.145 0.000 1.078 166 L CA 1.508 56.258 54.840 -0.151 0.000 0.749 166 L CB -0.959 41.020 42.059 -0.134 0.000 0.901 166 L HN 0.110 nan 8.230 nan 0.000 0.433 167 A N -0.257 122.478 122.820 -0.142 0.000 1.908 167 A HA -0.233 4.087 4.320 0.001 0.000 0.218 167 A C 2.416 179.942 177.584 -0.097 0.000 1.181 167 A CA 1.912 53.894 52.037 -0.092 0.000 0.627 167 A CB -0.555 18.396 19.000 -0.082 0.000 0.818 167 A HN 0.524 nan 8.150 nan 0.000 0.445 168 R N -0.972 119.424 120.500 -0.173 0.000 2.081 168 R HA -0.115 4.226 4.340 0.001 0.000 0.235 168 R C 2.541 178.774 176.300 -0.113 0.000 1.131 168 R CA 1.498 57.499 56.100 -0.163 0.000 0.960 168 R CB -0.352 29.765 30.300 -0.305 0.000 0.856 168 R HN 0.629 nan 8.270 nan 0.000 0.436 169 R N 1.309 121.735 120.500 -0.124 0.000 2.083 169 R HA -0.138 4.203 4.340 0.001 0.000 0.237 169 R C 2.119 178.332 176.300 -0.144 0.000 1.137 169 R CA 1.490 57.559 56.100 -0.052 0.000 0.951 169 R CB -0.347 29.982 30.300 0.050 0.000 0.851 169 R HN 0.193 nan 8.270 nan 0.000 0.434 170 L N 0.214 121.394 121.223 -0.072 0.000 2.083 170 L HA -0.187 4.154 4.340 0.001 0.000 0.209 170 L C 2.711 179.589 176.870 0.013 0.000 1.083 170 L CA 1.453 56.295 54.840 0.004 0.000 0.752 170 L CB -0.322 41.790 42.059 0.088 0.000 0.899 170 L HN 0.312 nan 8.230 nan 0.000 0.433 171 M N -0.842 118.747 119.600 -0.018 0.000 2.156 171 M HA -0.178 4.303 4.480 0.001 0.000 0.264 171 M C 2.224 178.490 176.300 -0.058 0.000 1.067 171 M CA 1.445 56.733 55.300 -0.019 0.000 1.131 171 M CB -0.220 32.370 32.600 -0.017 0.000 1.368 171 M HN 0.074 nan 8.290 nan 0.000 0.416 172 E N 0.181 120.302 120.200 -0.132 0.000 2.106 172 E HA -0.041 4.310 4.350 0.001 0.000 0.192 172 E C 0.002 176.426 176.600 -0.295 0.000 0.984 172 E CA 0.771 57.058 56.400 -0.187 0.000 0.806 172 E CB -0.019 29.552 29.700 -0.214 0.000 0.750 172 E HN 0.227 nan 8.360 nan 0.000 0.458 173 T N 4.342 118.625 114.554 -0.452 0.000 2.905 173 T HA 0.026 4.376 4.350 0.001 0.000 0.299 173 T C -2.420 172.254 174.700 -0.044 0.000 1.024 173 T CA -0.771 61.145 62.100 -0.306 0.000 1.151 173 T CB 0.573 69.326 68.868 -0.191 0.000 0.987 173 T HN 0.163 nan 8.240 nan 0.000 0.535 174 P HA 0.080 nan 4.420 nan 0.000 0.266 174 P C 0.535 177.863 177.300 0.047 0.000 1.195 174 P CA -0.169 62.965 63.100 0.056 0.000 0.768 174 P CB 0.557 32.295 31.700 0.064 0.000 0.838 175 A N 4.074 126.924 122.820 0.050 0.000 2.024 175 A HA -0.229 4.092 4.320 0.001 0.000 0.220 175 A C 1.822 179.421 177.584 0.024 0.000 1.164 175 A CA 1.793 53.867 52.037 0.062 0.000 0.643 175 A CB -1.183 17.887 19.000 0.117 0.000 0.806 175 A HN 0.716 nan 8.150 nan 0.000 0.451 176 N N -0.511 118.183 118.700 -0.011 0.000 2.396 176 N HA -0.125 4.616 4.740 0.001 0.000 0.180 176 N C 1.056 176.580 175.510 0.022 0.000 1.028 176 N CA 1.340 54.386 53.050 -0.007 0.000 0.893 176 N CB -0.242 38.229 38.487 -0.027 0.000 0.967 176 N HN 0.475 nan 8.380 nan 0.000 0.440 177 E N 0.061 120.284 120.200 0.039 0.000 2.132 177 E HA 0.059 4.409 4.350 0.001 0.000 0.193 177 E C 0.289 176.928 176.600 0.063 0.000 0.951 177 E CA 0.164 56.596 56.400 0.053 0.000 0.843 177 E CB -0.134 29.609 29.700 0.071 0.000 0.807 177 E HN 0.249 nan 8.360 nan 0.000 0.467 178 M N 2.770 122.413 119.600 0.070 0.000 3.422 178 M HA 0.051 4.532 4.480 0.001 0.000 0.248 178 M C -0.246 176.117 176.300 0.104 0.000 1.433 178 M CA -0.109 55.249 55.300 0.097 0.000 1.592 178 M CB -0.598 32.059 32.600 0.096 0.000 1.078 178 M HN -0.095 nan 8.290 nan 0.000 0.578 179 T N 0.622 115.234 114.554 0.096 0.000 2.788 179 T HA 0.466 4.817 4.350 0.001 0.000 0.280 179 T C -1.963 172.805 174.700 0.112 0.000 0.984 179 T CA -1.496 60.657 62.100 0.088 0.000 0.972 179 T CB 0.363 69.273 68.868 0.070 0.000 1.039 179 T HN 0.235 nan 8.240 nan 0.000 0.530 180 P HA -0.068 nan 4.420 nan 0.000 0.215 180 P C 1.700 179.088 177.300 0.146 0.000 1.157 180 P CA 1.303 64.463 63.100 0.100 0.000 0.868 180 P CB -0.314 31.441 31.700 0.091 0.000 0.788 181 T N -0.412 114.209 114.554 0.112 0.000 2.746 181 T HA -0.174 4.176 4.350 0.001 0.000 0.267 181 T C 1.809 176.568 174.700 0.098 0.000 1.039 181 T CA 1.693 63.852 62.100 0.098 0.000 1.142 181 T CB -0.539 68.371 68.868 0.070 0.000 0.866 181 T HN 0.050 nan 8.240 nan 0.000 0.444 182 K N 0.958 121.418 120.400 0.101 0.000 2.057 182 K HA 0.005 4.326 4.320 0.001 0.000 0.207 182 K C 1.825 178.482 176.600 0.096 0.000 1.049 182 K CA 1.110 57.446 56.287 0.082 0.000 0.931 182 K CB -0.804 31.743 32.500 0.078 0.000 0.714 182 K HN 0.343 nan 8.250 nan 0.000 0.440 183 F N 0.662 120.614 119.950 0.002 0.000 2.095 183 F HA -0.160 4.368 4.527 0.001 0.000 0.298 183 F C 1.872 177.661 175.800 -0.017 0.000 1.104 183 F CA 1.865 59.858 58.000 -0.011 0.000 1.232 183 F CB -0.677 38.316 39.000 -0.012 0.000 0.987 183 F HN 0.084 nan 8.300 nan 0.000 0.475 184 A N 0.052 123.004 122.820 0.219 0.000 1.902 184 A HA -0.215 4.105 4.320 0.001 0.000 0.217 184 A C 2.108 179.669 177.584 -0.038 0.000 1.181 184 A CA 1.956 54.053 52.037 0.100 0.000 0.623 184 A CB -0.902 18.178 19.000 0.134 0.000 0.818 184 A HN 0.593 nan 8.150 nan 0.000 0.443 185 E N -0.429 119.756 120.200 -0.024 0.000 2.106 185 E HA -0.104 4.247 4.350 0.001 0.000 0.192 185 E C 1.867 178.411 176.600 -0.093 0.000 0.984 185 E CA 1.088 57.460 56.400 -0.046 0.000 0.806 185 E CB -0.246 29.444 29.700 -0.016 0.000 0.750 185 E HN 0.711 nan 8.360 nan 0.000 0.458 186 I N 0.567 121.056 120.570 -0.136 0.000 2.252 186 I HA -0.224 3.947 4.170 0.001 0.000 0.245 186 I C 2.311 178.289 176.117 -0.232 0.000 1.102 186 I CA 0.683 61.880 61.300 -0.171 0.000 1.385 186 I CB -0.150 37.739 38.000 -0.186 0.000 1.064 186 I HN -0.015 nan 8.210 nan 0.000 0.414 187 V N 0.842 120.547 119.914 -0.348 0.000 2.343 187 V HA -0.299 3.821 4.120 0.001 0.000 0.247 187 V C 2.490 178.470 176.094 -0.190 0.000 1.051 187 V CA 2.094 64.198 62.300 -0.326 0.000 1.036 187 V CB -0.643 30.930 31.823 -0.416 0.000 0.654 187 V HN 0.490 nan 8.190 nan 0.000 0.451 188 E N 0.323 120.433 120.200 -0.151 0.000 2.038 188 E HA -0.293 4.058 4.350 0.001 0.000 0.195 188 E C 2.167 178.706 176.600 -0.102 0.000 1.000 188 E CA 1.972 58.304 56.400 -0.113 0.000 0.803 188 E CB -0.112 29.532 29.700 -0.094 0.000 0.750 188 E HN 0.730 nan 8.360 nan 0.000 0.448 189 E N 0.109 120.251 120.200 -0.095 0.000 2.110 189 E HA -0.158 4.193 4.350 0.001 0.000 0.193 189 E C 2.100 178.652 176.600 -0.080 0.000 0.988 189 E CA 0.902 57.256 56.400 -0.076 0.000 0.804 189 E CB -0.081 29.581 29.700 -0.064 0.000 0.745 189 E HN 0.312 nan 8.360 nan 0.000 0.458 190 N N 0.710 119.350 118.700 -0.101 0.000 2.142 190 N HA -0.136 4.605 4.740 0.001 0.000 0.186 190 N C 1.957 177.406 175.510 -0.101 0.000 1.023 190 N CA 0.694 53.683 53.050 -0.102 0.000 0.852 190 N CB -0.091 38.320 38.487 -0.126 0.000 0.998 190 N HN 0.082 nan 8.380 nan 0.000 0.424 191 L N 2.209 123.367 121.223 -0.109 0.000 2.046 191 L HA -0.103 4.238 4.340 0.001 0.000 0.208 191 L C 1.962 178.790 176.870 -0.070 0.000 1.077 191 L CA 1.729 56.510 54.840 -0.098 0.000 0.747 191 L CB -0.371 41.633 42.059 -0.090 0.000 0.896 191 L HN -0.034 nan 8.230 nan 0.000 0.432 192 K N -1.143 119.218 120.400 -0.065 0.000 2.147 192 K HA -0.071 4.249 4.320 0.001 0.000 0.205 192 K C 2.021 178.599 176.600 -0.037 0.000 1.049 192 K CA 1.410 57.669 56.287 -0.046 0.000 0.936 192 K CB -0.166 32.303 32.500 -0.053 0.000 0.722 192 K HN 0.278 nan 8.250 nan 0.000 0.446 193 S N 0.639 116.312 115.700 -0.046 0.000 2.453 193 S HA -0.057 4.413 4.470 0.001 0.000 0.231 193 S C 1.945 176.522 174.600 -0.038 0.000 1.005 193 S CA 0.942 59.119 58.200 -0.037 0.000 0.949 193 S CB 0.010 63.185 63.200 -0.041 0.000 0.774 193 S HN 0.403 nan 8.310 nan 0.000 0.510 194 A N 0.252 123.039 122.820 -0.055 0.000 1.930 194 A HA 0.302 4.623 4.320 0.001 0.000 0.215 194 A C 1.122 178.681 177.584 -0.041 0.000 1.176 194 A CA 0.752 52.749 52.037 -0.068 0.000 0.632 194 A CB 0.008 18.938 19.000 -0.118 0.000 0.819 194 A HN 0.381 nan 8.150 nan 0.000 0.445 195 S N -2.176 113.517 115.700 -0.013 0.000 2.543 195 S HA 0.384 4.854 4.470 0.001 0.000 0.274 195 S C 0.338 174.970 174.600 0.054 0.000 1.149 195 S CA -0.053 58.173 58.200 0.043 0.000 0.866 195 S CB 0.667 63.934 63.200 0.111 0.000 1.111 195 S HN 0.743 nan 8.310 nan 0.000 0.457 196 I N 0.741 121.345 120.570 0.057 0.000 3.428 196 I HA 0.374 4.545 4.170 0.001 0.000 0.286 196 I C 0.712 176.864 176.117 0.058 0.000 1.287 196 I CA 0.340 61.666 61.300 0.042 0.000 1.396 196 I CB -0.191 37.828 38.000 0.031 0.000 1.062 196 I HN 0.381 nan 8.210 nan 0.000 0.471 197 K N 3.219 123.678 120.400 0.099 0.000 3.165 197 K HA 0.206 4.527 4.320 0.001 0.000 0.259 197 K C -0.271 176.406 176.600 0.127 0.000 1.282 197 K CA -0.059 56.280 56.287 0.087 0.000 1.259 197 K CB -0.111 32.425 32.500 0.061 0.000 1.546 197 K HN 0.501 nan 8.250 nan 0.000 0.384 198 T N -3.016 111.598 114.554 0.100 0.000 2.896 198 T HA 0.443 4.794 4.350 0.001 0.000 0.297 198 T C -0.941 173.758 174.700 -0.000 0.000 1.108 198 T CA -1.064 61.093 62.100 0.096 0.000 1.004 198 T CB 2.470 71.386 68.868 0.079 0.000 1.159 198 T HN -0.143 nan 8.240 nan 0.000 0.499 199 D N 0.516 120.885 120.400 -0.053 0.000 2.879 199 D HA 0.624 5.265 4.640 0.001 0.000 0.236 199 D C -1.163 174.847 176.300 -0.484 0.000 1.171 199 D CA -0.290 53.535 54.000 -0.292 0.000 0.868 199 D CB 2.539 43.199 40.800 -0.234 0.000 1.598 199 D HN 0.511 nan 8.370 nan 0.000 0.497 200 V N 2.253 121.734 119.914 -0.721 0.000 2.709 200 V HA 0.541 4.662 4.120 0.001 0.000 0.308 200 V C -1.108 174.475 176.094 -0.852 0.000 1.062 200 V CA -0.728 61.227 62.300 -0.575 0.000 0.901 200 V CB 1.807 33.465 31.823 -0.276 0.000 1.003 200 V HN 0.365 nan 8.190 nan 0.000 0.425 201 F N 4.265 124.153 119.950 -0.103 0.000 2.553 201 F HA 0.573 5.100 4.527 0.001 0.000 0.335 201 F C 0.102 175.846 175.800 -0.094 0.000 1.148 201 F CA -0.570 57.363 58.000 -0.111 0.000 0.963 201 F CB 1.489 40.394 39.000 -0.158 0.000 1.217 201 F HN 0.243 nan 8.300 nan 0.000 0.441 202 I N 5.149 125.754 120.570 0.057 0.000 2.241 202 I HA 0.231 4.401 4.170 0.001 0.000 0.294 202 I C 0.072 176.203 176.117 0.023 0.000 1.145 202 I CA -0.589 60.740 61.300 0.048 0.000 1.261 202 I CB -0.101 37.924 38.000 0.041 0.000 1.475 202 I HN 0.384 nan 8.210 nan 0.000 0.533 203 R N 6.956 127.427 120.500 -0.048 0.000 2.449 203 R HA 0.235 4.576 4.340 0.001 0.000 0.296 203 R C -2.293 174.050 176.300 0.072 0.000 1.047 203 R CA -1.430 54.565 56.100 -0.176 0.000 1.018 203 R CB 0.057 29.921 30.300 -0.727 0.000 0.962 203 R HN 0.306 nan 8.270 nan 0.000 0.428 204 P HA 0.119 nan 4.420 nan 0.000 0.278 204 P C 0.244 177.659 177.300 0.191 0.000 1.266 204 P CA -0.579 62.607 63.100 0.143 0.000 0.807 204 P CB 1.005 32.771 31.700 0.110 0.000 1.094 205 K N 0.861 121.333 120.400 0.120 0.000 2.127 205 K HA -0.187 4.133 4.320 0.001 0.000 0.208 205 K C 1.950 178.602 176.600 0.085 0.000 1.047 205 K CA 2.484 58.816 56.287 0.074 0.000 0.927 205 K CB -0.498 32.011 32.500 0.015 0.000 0.716 205 K HN 0.502 nan 8.250 nan 0.000 0.450 206 S N -0.428 115.331 115.700 0.099 0.000 2.382 206 S HA -0.200 4.271 4.470 0.001 0.000 0.228 206 S C 1.803 176.469 174.600 0.111 0.000 1.027 206 S CA 0.974 59.223 58.200 0.081 0.000 0.991 206 S CB -0.811 62.436 63.200 0.078 0.000 0.823 206 S HN 0.649 nan 8.310 nan 0.000 0.469 207 W N 2.250 123.538 121.300 -0.020 0.000 2.409 207 W HA 0.144 4.805 4.660 0.001 0.000 0.299 207 W C 1.783 178.254 176.519 -0.080 0.000 1.203 207 W CA 0.942 58.259 57.345 -0.047 0.000 1.298 207 W CB -0.273 29.168 29.460 -0.032 0.000 1.127 207 W HN 0.220 nan 8.180 nan 0.000 0.528 208 I N 0.806 121.544 120.570 0.279 0.000 2.264 208 I HA -0.322 3.849 4.170 0.001 0.000 0.248 208 I C 2.149 178.195 176.117 -0.118 0.000 1.111 208 I CA 1.830 63.191 61.300 0.102 0.000 1.382 208 I CB -0.652 37.461 38.000 0.187 0.000 1.060 208 I HN 0.084 nan 8.210 nan 0.000 0.418 209 E N 0.536 120.686 120.200 -0.084 0.000 2.047 209 E HA -0.263 4.088 4.350 0.001 0.000 0.191 209 E C 2.115 178.615 176.600 -0.166 0.000 0.987 209 E CA 1.154 57.491 56.400 -0.104 0.000 0.799 209 E CB -0.123 29.540 29.700 -0.062 0.000 0.752 209 E HN 0.464 nan 8.360 nan 0.000 0.449 210 E N 0.730 120.801 120.200 -0.216 0.000 2.118 210 E HA -0.220 4.131 4.350 0.001 0.000 0.195 210 E C 1.749 178.126 176.600 -0.372 0.000 0.992 210 E CA 0.853 57.094 56.400 -0.266 0.000 0.804 210 E CB 0.191 29.720 29.700 -0.284 0.000 0.741 210 E HN 0.133 nan 8.360 nan 0.000 0.458 211 Q N 0.170 119.629 119.800 -0.568 0.000 2.482 211 Q HA -0.063 4.278 4.340 0.001 0.000 0.209 211 Q C -0.281 175.522 176.000 -0.328 0.000 0.961 211 Q CA 0.526 55.965 55.803 -0.608 0.000 0.945 211 Q CB 0.228 28.314 28.738 -1.088 0.000 1.012 211 Q HN 0.387 nan 8.270 nan 0.000 0.515 212 E N -0.186 119.879 120.200 -0.226 0.000 2.476 212 E HA -0.217 4.134 4.350 0.001 0.000 0.251 212 E C -0.531 176.023 176.600 -0.077 0.000 1.130 212 E CA 0.222 56.547 56.400 -0.125 0.000 0.736 212 E CB -1.413 28.226 29.700 -0.101 0.000 1.298 212 E HN 0.393 nan 8.360 nan 0.000 0.400 213 M N 0.202 119.760 119.600 -0.070 0.000 3.586 213 M HA 0.103 4.584 4.480 0.001 0.000 0.225 213 M C 1.701 178.036 176.300 0.058 0.000 1.428 213 M CA 0.299 55.620 55.300 0.035 0.000 1.613 213 M CB 0.218 32.901 32.600 0.139 0.000 1.063 213 M HN 0.309 nan 8.290 nan 0.000 0.593 214 G N 0.038 108.854 108.800 0.027 0.000 2.432 214 G HA2 -0.189 3.772 3.960 0.001 0.000 0.219 214 G HA3 -0.189 3.772 3.960 0.001 0.000 0.219 214 G C 1.592 176.521 174.900 0.049 0.000 1.135 214 G CA 1.077 46.190 45.100 0.022 0.000 0.767 214 G HN 0.538 nan 8.290 nan 0.000 0.550 215 S N -0.424 115.322 115.700 0.076 0.000 2.355 215 S HA -0.094 4.377 4.470 0.001 0.000 0.222 215 S C 2.046 176.739 174.600 0.155 0.000 1.031 215 S CA 1.194 59.446 58.200 0.086 0.000 0.993 215 S CB -0.398 62.828 63.200 0.043 0.000 0.859 215 S HN 0.301 nan 8.310 nan 0.000 0.453 216 F N 2.462 122.422 119.950 0.016 0.000 2.102 216 F HA 0.047 4.575 4.527 0.001 0.000 0.298 216 F C 1.799 177.622 175.800 0.038 0.000 1.105 216 F CA 1.266 59.291 58.000 0.041 0.000 1.239 216 F CB -1.067 37.995 39.000 0.103 0.000 0.991 216 F HN 0.203 nan 8.300 nan 0.000 0.474 217 L N 0.297 121.466 121.223 -0.090 0.000 2.127 217 L HA -0.246 4.094 4.340 0.001 0.000 0.211 217 L C 2.778 179.591 176.870 -0.095 0.000 1.089 217 L CA 1.574 56.288 54.840 -0.210 0.000 0.757 217 L CB -1.006 40.969 42.059 -0.139 0.000 0.899 217 L HN 0.344 nan 8.230 nan 0.000 0.434 218 S N -0.800 114.890 115.700 -0.017 0.000 2.382 218 S HA -0.134 4.337 4.470 0.001 0.000 0.228 218 S C 1.879 176.482 174.600 0.005 0.000 1.027 218 S CA 1.244 59.443 58.200 -0.002 0.000 0.991 218 S CB -0.675 62.536 63.200 0.019 0.000 0.823 218 S HN 0.185 nan 8.310 nan 0.000 0.469 219 V N 2.435 122.368 119.914 0.032 0.000 2.323 219 V HA -0.005 4.116 4.120 0.001 0.000 0.244 219 V C 3.183 179.290 176.094 0.022 0.000 1.041 219 V CA 1.524 63.850 62.300 0.044 0.000 1.025 219 V CB -1.501 30.384 31.823 0.103 0.000 0.656 219 V HN 0.665 nan 8.190 nan 0.000 0.451 220 A N 1.262 124.070 122.820 -0.020 0.000 1.972 220 A HA -0.235 4.086 4.320 0.001 0.000 0.219 220 A C 2.257 179.815 177.584 -0.043 0.000 1.169 220 A CA 1.960 53.964 52.037 -0.055 0.000 0.635 220 A CB -0.512 18.366 19.000 -0.204 0.000 0.810 220 A HN 0.731 nan 8.150 nan 0.000 0.446 221 K N -0.557 119.814 120.400 -0.048 0.000 2.211 221 K HA -0.071 4.250 4.320 0.001 0.000 0.204 221 K C 1.755 178.348 176.600 -0.011 0.000 1.047 221 K CA 1.513 57.781 56.287 -0.032 0.000 0.935 221 K CB -0.785 31.696 32.500 -0.032 0.000 0.728 221 K HN 0.257 nan 8.250 nan 0.000 0.452 222 G N 1.027 109.827 108.800 -0.000 0.000 2.471 222 G HA2 -0.183 3.778 3.960 0.001 0.000 0.219 222 G HA3 -0.183 3.778 3.960 0.001 0.000 0.219 222 G C 0.595 175.505 174.900 0.016 0.000 1.125 222 G CA 0.512 45.618 45.100 0.010 0.000 0.775 222 G HN 0.409 nan 8.290 nan 0.000 0.548 223 S N -0.944 114.767 115.700 0.018 0.000 2.651 223 S HA 0.367 4.838 4.470 0.001 0.000 0.291 223 S C 1.018 175.626 174.600 0.015 0.000 1.141 223 S CA -0.552 57.663 58.200 0.025 0.000 1.027 223 S CB 1.427 64.652 63.200 0.041 0.000 1.043 223 S HN 0.163 nan 8.310 nan 0.000 0.530 224 E N 0.876 121.086 120.200 0.016 0.000 2.371 224 E HA 0.034 4.385 4.350 0.001 0.000 0.194 224 E C -0.087 176.522 176.600 0.015 0.000 1.012 224 E CA 0.225 56.632 56.400 0.011 0.000 0.860 224 E CB 0.031 29.737 29.700 0.010 0.000 0.811 224 E HN 0.595 nan 8.360 nan 0.000 0.502 225 E N 2.257 122.470 120.200 0.022 0.000 2.299 225 E HA 0.080 4.431 4.350 0.001 0.000 0.272 225 E C -2.492 174.125 176.600 0.027 0.000 1.043 225 E CA -2.265 54.152 56.400 0.029 0.000 0.895 225 E CB 0.673 30.397 29.700 0.040 0.000 1.011 225 E HN -0.171 nan 8.360 nan 0.000 0.432 226 P HA 0.102 nan 4.420 nan 0.000 0.265 226 P C -2.487 174.837 177.300 0.039 0.000 1.193 226 P CA -0.826 62.289 63.100 0.026 0.000 0.765 226 P CB 0.343 32.063 31.700 0.033 0.000 0.823 227 P HA 0.275 nan 4.420 nan 0.000 0.282 227 P C -1.151 176.219 177.300 0.115 0.000 1.259 227 P CA -0.365 62.765 63.100 0.050 0.000 0.826 227 P CB 1.359 32.990 31.700 -0.115 0.000 1.064 228 V N -1.875 118.174 119.914 0.225 0.000 3.147 228 V HA 0.634 4.755 4.120 0.001 0.000 0.306 228 V C -1.560 174.761 176.094 0.379 0.000 1.209 228 V CA -0.982 61.469 62.300 0.252 0.000 1.023 228 V CB 2.181 34.102 31.823 0.163 0.000 1.059 228 V HN 0.398 nan 8.190 nan 0.000 0.435 229 F N 3.833 123.908 119.950 0.208 0.000 2.382 229 F HA 0.749 5.277 4.527 0.001 0.000 0.361 229 F C -0.584 175.235 175.800 0.032 0.000 1.109 229 F CA -1.038 57.064 58.000 0.170 0.000 1.031 229 F CB 1.547 40.689 39.000 0.236 0.000 1.234 229 F HN 0.732 nan 8.300 nan 0.000 0.445 230 L N 6.013 127.221 121.223 -0.026 0.000 2.319 230 L HA 0.360 4.701 4.340 0.001 0.000 0.280 230 L C -0.482 176.478 176.870 0.151 0.000 1.099 230 L CA 0.323 55.206 54.840 0.071 0.000 0.828 230 L CB 0.685 42.792 42.059 0.081 0.000 1.150 230 L HN 0.703 nan 8.230 nan 0.000 0.442 231 E N 6.439 126.783 120.200 0.240 0.000 2.216 231 E HA 0.484 4.835 4.350 0.001 0.000 0.260 231 E C -1.327 175.412 176.600 0.233 0.000 0.880 231 E CA -0.647 55.962 56.400 0.348 0.000 0.765 231 E CB 1.117 31.108 29.700 0.486 0.000 1.174 231 E HN 0.694 nan 8.360 nan 0.000 0.417 232 I N 1.019 121.719 120.570 0.217 0.000 2.569 232 I HA 0.574 4.745 4.170 0.001 0.000 0.296 232 I C -1.097 175.225 176.117 0.342 0.000 1.028 232 I CA -0.917 60.465 61.300 0.137 0.000 1.082 232 I CB 1.979 40.017 38.000 0.064 0.000 1.264 232 I HN 0.534 nan 8.210 nan 0.000 0.429 233 H N 4.245 123.376 119.070 0.102 0.000 2.589 233 H HA 0.376 4.932 4.556 0.001 0.000 0.351 233 H C -1.828 173.585 175.328 0.142 0.000 1.074 233 H CA -0.729 55.390 56.048 0.118 0.000 1.203 233 H CB 2.690 32.548 29.762 0.161 0.000 1.558 233 H HN 0.675 nan 8.280 nan 0.000 0.522 234 Y N 2.986 123.363 120.300 0.129 0.000 2.345 234 Y HA 0.248 4.799 4.550 0.001 0.000 0.331 234 Y C -0.724 175.218 175.900 0.069 0.000 0.959 234 Y CA -1.389 56.752 58.100 0.069 0.000 1.204 234 Y CB 0.778 39.255 38.460 0.029 0.000 1.135 234 Y HN 0.456 nan 8.280 nan 0.000 0.477 235 K N 4.766 124.925 120.400 -0.401 0.000 2.518 235 K HA 0.285 4.605 4.320 0.001 0.000 0.244 235 K C 1.069 177.308 176.600 -0.603 0.000 1.232 235 K CA 0.167 56.227 56.287 -0.378 0.000 1.189 235 K CB 0.347 32.778 32.500 -0.116 0.000 1.737 235 K HN 0.980 nan 8.250 nan 0.000 0.333 236 G N 0.226 108.437 108.800 -0.980 0.000 2.683 236 G HA2 -0.087 3.874 3.960 0.001 0.000 0.213 236 G HA3 -0.087 3.874 3.960 0.001 0.000 0.213 236 G C 0.425 175.212 174.900 -0.189 0.000 1.142 236 G CA -0.149 44.575 45.100 -0.627 0.000 0.793 236 G HN 0.340 nan 8.290 nan 0.000 0.534 237 S N 1.301 116.919 115.700 -0.138 0.000 2.572 237 S HA 0.242 4.713 4.470 0.001 0.000 0.279 237 S C -1.273 173.308 174.600 -0.031 0.000 1.341 237 S CA -0.758 57.418 58.200 -0.040 0.000 1.043 237 S CB 1.711 64.903 63.200 -0.012 0.000 0.887 237 S HN 0.001 nan 8.310 nan 0.000 0.516 238 P HA -0.036 nan 4.420 nan 0.000 0.218 238 P C 0.154 177.454 177.300 -0.000 0.000 1.149 238 P CA 0.812 63.912 63.100 -0.000 0.000 0.817 238 P CB 0.082 31.787 31.700 0.008 0.000 0.785 239 N N -0.261 118.440 118.700 0.002 0.000 2.420 239 N HA 0.253 4.994 4.740 0.001 0.000 0.249 239 N C 0.923 176.435 175.510 0.004 0.000 1.033 239 N CA -0.144 52.909 53.050 0.006 0.000 0.944 239 N CB 0.582 39.076 38.487 0.012 0.000 1.113 239 N HN -0.178 nan 8.380 nan 0.000 0.502 240 A N 2.779 125.602 122.820 0.005 0.000 1.978 240 A HA -0.110 4.211 4.320 0.001 0.000 0.220 240 A C 1.822 179.416 177.584 0.016 0.000 1.170 240 A CA 1.550 53.591 52.037 0.007 0.000 0.636 240 A CB -0.350 18.660 19.000 0.016 0.000 0.810 240 A HN 0.643 nan 8.150 nan 0.000 0.448 241 S N -0.485 115.226 115.700 0.019 0.000 2.603 241 S HA 0.072 4.542 4.470 0.001 0.000 0.220 241 S C 0.604 175.220 174.600 0.028 0.000 0.967 241 S CA 0.058 58.272 58.200 0.024 0.000 0.920 241 S CB -0.134 63.079 63.200 0.022 0.000 0.773 241 S HN 0.633 nan 8.310 nan 0.000 0.529 242 E N 3.018 123.234 120.200 0.026 0.000 2.480 242 E HA 0.097 4.447 4.350 0.001 0.000 0.258 242 E C -2.676 173.951 176.600 0.045 0.000 0.984 242 E CA -1.878 54.544 56.400 0.037 0.000 0.930 242 E CB 0.229 29.952 29.700 0.039 0.000 0.936 242 E HN 0.049 nan 8.360 nan 0.000 0.466 243 P HA 0.038 nan 4.420 nan 0.000 0.264 243 P C -2.459 174.877 177.300 0.061 0.000 1.183 243 P CA -0.658 62.481 63.100 0.065 0.000 0.763 243 P CB 0.342 32.088 31.700 0.077 0.000 0.807 244 P HA 0.249 nan 4.420 nan 0.000 0.281 244 P C -1.048 176.244 177.300 -0.013 0.000 1.264 244 P CA -0.330 62.776 63.100 0.009 0.000 0.824 244 P CB 0.811 32.489 31.700 -0.037 0.000 1.092 245 L N 0.838 122.044 121.223 -0.029 0.000 2.307 245 L HA 0.370 4.711 4.340 0.001 0.000 0.282 245 L C 0.197 177.028 176.870 -0.066 0.000 1.051 245 L CA -0.445 54.343 54.840 -0.085 0.000 0.804 245 L CB 1.357 43.360 42.059 -0.093 0.000 1.197 245 L HN 0.108 nan 8.230 nan 0.000 0.431 246 V N 3.323 123.127 119.914 -0.183 0.000 2.495 246 V HA 0.470 4.591 4.120 0.001 0.000 0.298 246 V C -0.611 175.337 176.094 -0.244 0.000 1.031 246 V CA -0.535 61.671 62.300 -0.157 0.000 0.871 246 V CB 1.511 33.221 31.823 -0.188 0.000 0.988 246 V HN 0.377 nan 8.190 nan 0.000 0.432 247 F N 3.289 123.210 119.950 -0.048 0.000 2.469 247 F HA 0.736 5.263 4.527 0.001 0.000 0.332 247 F C 0.002 175.808 175.800 0.010 0.000 1.103 247 F CA -0.675 57.317 58.000 -0.014 0.000 0.979 247 F CB 2.153 41.145 39.000 -0.013 0.000 1.137 247 F HN 0.162 nan 8.300 nan 0.000 0.463 248 V N 1.802 121.824 119.914 0.180 0.000 2.656 248 V HA 0.870 4.991 4.120 0.001 0.000 0.307 248 V C -0.182 175.977 176.094 0.108 0.000 1.051 248 V CA -0.795 61.584 62.300 0.132 0.000 0.893 248 V CB 1.858 33.765 31.823 0.140 0.000 0.999 248 V HN 0.890 nan 8.190 nan 0.000 0.426 249 G N 2.246 111.063 108.800 0.029 0.000 2.662 249 G HA2 0.517 4.478 3.960 0.001 0.000 0.302 249 G HA3 0.517 4.478 3.960 0.001 0.000 0.302 249 G C -1.029 173.813 174.900 -0.097 0.000 1.389 249 G CA -0.774 44.323 45.100 -0.004 0.000 0.998 249 G HN 0.675 nan 8.290 nan 0.000 0.502 250 K N 1.247 121.599 120.400 -0.080 0.000 2.402 250 K HA 0.320 4.640 4.320 0.001 0.000 0.285 250 K C 0.734 177.219 176.600 -0.193 0.000 1.054 250 K CA -0.004 56.205 56.287 -0.130 0.000 1.001 250 K CB 0.363 32.818 32.500 -0.076 0.000 0.946 250 K HN 0.460 nan 8.250 nan 0.000 0.473 251 G N 6.347 114.992 108.800 -0.258 0.000 4.637 251 G HA2 0.212 4.173 3.960 0.001 0.000 0.308 251 G HA3 0.212 4.173 3.960 0.001 0.000 0.308 251 G C -0.120 174.646 174.900 -0.223 0.000 1.377 251 G CA -0.504 44.398 45.100 -0.330 0.000 1.176 251 G HN 0.546 nan 8.290 nan 0.000 0.601 252 I N 3.052 123.528 120.570 -0.157 0.000 2.329 252 I HA 0.042 4.213 4.170 0.001 0.000 0.295 252 I C 1.985 178.047 176.117 -0.091 0.000 1.109 252 I CA 0.134 61.378 61.300 -0.094 0.000 1.297 252 I CB 0.215 38.158 38.000 -0.094 0.000 1.433 252 I HN 0.305 nan 8.210 nan 0.000 0.509 253 T N 3.354 117.881 114.554 -0.045 0.000 2.881 253 T HA -0.111 4.239 4.350 0.001 0.000 0.270 253 T C 0.343 175.118 174.700 0.125 0.000 1.068 253 T CA 0.910 63.015 62.100 0.009 0.000 1.131 253 T CB -0.010 68.877 68.868 0.032 0.000 0.871 253 T HN 0.318 nan 8.240 nan 0.000 0.479 254 F N 0.833 120.769 119.950 -0.024 0.000 2.623 254 F HA 0.474 5.002 4.527 0.001 0.000 0.323 254 F C -2.226 173.567 175.800 -0.012 0.000 1.158 254 F CA -1.690 56.302 58.000 -0.014 0.000 1.030 254 F CB 1.983 40.981 39.000 -0.004 0.000 1.280 254 F HN -0.128 nan 8.300 nan 0.000 0.474 255 D N 2.611 122.423 120.400 -0.979 0.000 2.460 255 D HA 0.249 4.889 4.640 0.001 0.000 0.232 255 D C 0.427 176.332 176.300 -0.657 0.000 1.079 255 D CA 0.102 53.755 54.000 -0.578 0.000 0.864 255 D CB 1.512 42.089 40.800 -0.372 0.000 1.048 255 D HN 0.447 nan 8.370 nan 0.000 0.523 256 S N 2.094 117.659 115.700 -0.226 0.000 2.524 256 S HA 0.285 4.756 4.470 0.001 0.000 0.216 256 S C 1.648 176.240 174.600 -0.014 0.000 0.987 256 S CA 0.653 58.868 58.200 0.025 0.000 0.909 256 S CB 0.268 63.612 63.200 0.239 0.000 0.781 256 S HN 0.735 nan 8.310 nan 0.000 0.521 257 G N 0.604 109.371 108.800 -0.054 0.000 2.258 257 G HA2 0.122 4.083 3.960 0.001 0.000 0.233 257 G HA3 0.122 4.083 3.960 0.001 0.000 0.233 257 G C 1.280 176.172 174.900 -0.014 0.000 1.006 257 G CA 0.333 45.410 45.100 -0.039 0.000 0.620 257 G HN 1.836 nan 8.290 nan 0.000 0.511 258 G N 0.311 109.117 108.800 0.009 0.000 2.512 258 G HA2 -0.138 3.822 3.960 0.001 0.000 0.254 258 G HA3 -0.138 3.822 3.960 0.001 0.000 0.254 258 G C 0.907 175.816 174.900 0.015 0.000 1.199 258 G CA 0.517 45.627 45.100 0.016 0.000 0.941 258 G HN 0.980 nan 8.290 nan 0.000 0.569 259 I N 1.390 121.966 120.570 0.010 0.000 2.264 259 I HA -0.060 4.111 4.170 0.001 0.000 0.248 259 I C 2.182 178.302 176.117 0.006 0.000 1.111 259 I CA 2.081 63.387 61.300 0.009 0.000 1.382 259 I CB -1.341 36.663 38.000 0.006 0.000 1.060 259 I HN 0.329 nan 8.210 nan 0.000 0.418 260 S N 1.839 117.539 115.700 0.000 0.000 3.983 260 S HA 0.236 4.707 4.470 0.001 0.000 0.194 260 S C 0.564 175.162 174.600 -0.003 0.000 1.464 260 S CA -0.273 57.925 58.200 -0.003 0.000 1.021 260 S CB -0.774 62.419 63.200 -0.011 0.000 1.424 260 S HN 0.188 nan 8.310 nan 0.000 0.473 261 I N 2.381 122.955 120.570 0.006 0.000 2.815 261 I HA -0.035 4.136 4.170 0.001 0.000 0.291 261 I C 0.607 176.729 176.117 0.008 0.000 1.209 261 I CA 0.235 61.542 61.300 0.013 0.000 1.431 261 I CB 0.462 38.476 38.000 0.023 0.000 1.351 261 I HN 0.290 nan 8.210 nan 0.000 0.585 262 K N 5.587 125.992 120.400 0.009 0.000 2.138 262 K HA 0.447 4.767 4.320 0.001 0.000 0.251 262 K C -0.086 176.524 176.600 0.018 0.000 1.015 262 K CA -0.619 55.670 56.287 0.003 0.000 0.917 262 K CB 0.697 33.191 32.500 -0.009 0.000 1.021 262 K HN 0.696 nan 8.250 nan 0.000 0.485 263 A N 0.721 123.549 122.820 0.014 0.000 2.332 263 A HA 0.354 4.675 4.320 0.001 0.000 0.258 263 A C 1.023 178.625 177.584 0.030 0.000 1.087 263 A CA 0.432 52.481 52.037 0.019 0.000 0.802 263 A CB 0.541 19.549 19.000 0.014 0.000 1.042 263 A HN 0.847 nan 8.150 nan 0.000 0.489 264 A N 1.353 124.192 122.820 0.032 0.000 1.898 264 A HA 0.366 4.686 4.320 0.001 0.000 0.216 264 A C 1.619 179.228 177.584 0.041 0.000 1.181 264 A CA 1.252 53.314 52.037 0.041 0.000 0.620 264 A CB -1.151 17.869 19.000 0.034 0.000 0.819 264 A HN 2.115 nan 8.150 nan 0.000 0.442 265 A N 0.111 122.949 122.820 0.029 0.000 2.563 265 A HA 0.271 4.592 4.320 0.001 0.000 0.256 265 A C 0.653 178.255 177.584 0.030 0.000 1.056 265 A CA 0.703 52.755 52.037 0.026 0.000 0.775 265 A CB -1.134 17.877 19.000 0.018 0.000 0.973 265 A HN 0.773 nan 8.150 nan 0.000 0.516 266 N N 0.746 119.468 118.700 0.035 0.000 2.708 266 N HA -0.241 4.500 4.740 0.001 0.000 0.251 266 N C 0.693 176.235 175.510 0.053 0.000 1.123 266 N CA 1.005 54.079 53.050 0.040 0.000 0.739 266 N CB -1.182 37.320 38.487 0.026 0.000 1.113 266 N HN 0.812 nan 8.380 nan 0.000 0.561 267 M N 0.616 120.261 119.600 0.074 0.000 2.460 267 M HA -0.145 4.336 4.480 0.001 0.000 0.263 267 M C 1.683 178.101 176.300 0.196 0.000 1.071 267 M CA 1.830 57.194 55.300 0.108 0.000 1.096 267 M CB -0.106 32.584 32.600 0.150 0.000 1.408 267 M HN 0.314 nan 8.290 nan 0.000 0.463 268 D N 0.460 120.966 120.400 0.177 0.000 2.221 268 D HA -0.229 4.411 4.640 0.001 0.000 0.204 268 D C 1.664 178.079 176.300 0.191 0.000 0.982 268 D CA 1.162 55.287 54.000 0.208 0.000 0.857 268 D CB -0.809 40.059 40.800 0.113 0.000 0.934 268 D HN 0.436 nan 8.370 nan 0.000 0.475 269 L N -0.264 121.022 121.223 0.105 0.000 2.353 269 L HA -0.077 4.264 4.340 0.001 0.000 0.220 269 L C 2.346 179.230 176.870 0.023 0.000 1.133 269 L CA 0.343 55.218 54.840 0.058 0.000 0.798 269 L CB -0.382 41.692 42.059 0.025 0.000 0.922 269 L HN -0.008 nan 8.230 nan 0.000 0.445 270 M N 0.098 119.689 119.600 -0.016 0.000 2.700 270 M HA -0.096 4.384 4.480 0.001 0.000 0.249 270 M C 2.128 178.338 176.300 -0.151 0.000 1.082 270 M CA 1.099 56.264 55.300 -0.225 0.000 1.077 270 M CB -0.920 31.328 32.600 -0.586 0.000 1.477 270 M HN 0.401 nan 8.290 nan 0.000 0.529 271 R N 0.034 120.626 120.500 0.154 0.000 2.235 271 R HA 0.111 4.452 4.340 0.001 0.000 0.213 271 R C 1.401 177.742 176.300 0.069 0.000 1.059 271 R CA 1.259 57.501 56.100 0.236 0.000 0.997 271 R CB -0.504 29.928 30.300 0.219 0.000 0.884 271 R HN 0.200 nan 8.270 nan 0.000 0.462 272 A N 1.110 123.938 122.820 0.014 0.000 2.415 272 A HA 0.056 4.377 4.320 0.001 0.000 0.248 272 A C 0.629 178.183 177.584 -0.050 0.000 1.299 272 A CA -0.024 52.004 52.037 -0.015 0.000 0.899 272 A CB 0.038 19.033 19.000 -0.009 0.000 0.997 272 A HN 0.195 nan 8.150 nan 0.000 0.506 273 D N 0.062 120.412 120.400 -0.083 0.000 2.352 273 D HA -0.018 4.623 4.640 0.001 0.000 0.232 273 D C 1.181 177.413 176.300 -0.114 0.000 1.055 273 D CA 0.711 54.646 54.000 -0.109 0.000 0.891 273 D CB 0.057 40.762 40.800 -0.160 0.000 0.897 273 D HN 0.495 nan 8.370 nan 0.000 0.529 274 M N -3.121 116.407 119.600 -0.120 0.000 2.475 274 M HA 0.442 4.922 4.480 0.001 0.000 0.283 274 M C 1.694 177.909 176.300 -0.142 0.000 1.165 274 M CA -0.359 54.822 55.300 -0.197 0.000 0.976 274 M CB 0.043 32.458 32.600 -0.308 0.000 1.428 274 M HN -0.176 nan 8.290 nan 0.000 0.495 275 G N 1.057 109.814 108.800 -0.072 0.000 2.442 275 G HA2 -0.077 3.884 3.960 0.001 0.000 0.219 275 G HA3 -0.077 3.884 3.960 0.001 0.000 0.219 275 G C 1.422 176.310 174.900 -0.019 0.000 1.141 275 G CA 0.804 45.886 45.100 -0.030 0.000 0.763 275 G HN 0.619 nan 8.290 nan 0.000 0.554 276 G N 1.062 109.842 108.800 -0.032 0.000 2.418 276 G HA2 0.043 4.003 3.960 0.001 0.000 0.217 276 G HA3 0.043 4.003 3.960 0.001 0.000 0.217 276 G C 2.046 176.944 174.900 -0.004 0.000 1.158 276 G CA 1.512 46.608 45.100 -0.007 0.000 0.771 276 G HN 0.633 nan 8.290 nan 0.000 0.545 277 A N 1.171 123.953 122.820 -0.063 0.000 1.902 277 A HA 0.286 4.607 4.320 0.001 0.000 0.217 277 A C 2.828 180.520 177.584 0.181 0.000 1.181 277 A CA 2.226 54.240 52.037 -0.039 0.000 0.623 277 A CB -0.816 17.974 19.000 -0.349 0.000 0.818 277 A HN 0.775 nan 8.150 nan 0.000 0.443 278 A N -0.119 122.809 122.820 0.180 0.000 1.883 278 A HA -0.145 4.176 4.320 0.001 0.000 0.217 278 A C 2.498 180.130 177.584 0.081 0.000 1.186 278 A CA 2.814 55.004 52.037 0.256 0.000 0.624 278 A CB -1.503 17.606 19.000 0.181 0.000 0.822 278 A HN 0.779 nan 8.150 nan 0.000 0.444 279 T N -0.349 114.222 114.554 0.029 0.000 2.737 279 T HA -0.149 4.201 4.350 0.001 0.000 0.265 279 T C 1.789 176.453 174.700 -0.060 0.000 1.038 279 T CA 1.656 63.743 62.100 -0.022 0.000 1.144 279 T CB -0.856 68.003 68.868 -0.015 0.000 0.866 279 T HN 0.735 nan 8.240 nan 0.000 0.434 280 I N 0.322 120.877 120.570 -0.026 0.000 2.315 280 I HA 0.059 4.230 4.170 0.001 0.000 0.248 280 I C 2.539 178.570 176.117 -0.145 0.000 1.117 280 I CA 0.528 61.773 61.300 -0.092 0.000 1.404 280 I CB -1.280 36.761 38.000 0.069 0.000 1.071 280 I HN 0.225 nan 8.210 nan 0.000 0.419 281 C N 0.251 119.527 119.300 -0.041 0.000 2.446 281 C HA -0.092 4.368 4.460 0.001 0.000 0.277 281 C C 3.209 178.117 174.990 -0.137 0.000 1.275 281 C CA 1.401 60.382 59.018 -0.061 0.000 1.727 281 C CB -1.228 26.518 27.740 0.011 0.000 2.010 281 C HN 0.717 nan 8.230 nan 0.000 0.486 282 S N 0.351 115.972 115.700 -0.132 0.000 2.383 282 S HA -0.089 4.382 4.470 0.001 0.000 0.227 282 S C 2.059 176.531 174.600 -0.213 0.000 1.026 282 S CA 1.379 59.480 58.200 -0.165 0.000 0.981 282 S CB -0.284 62.832 63.200 -0.139 0.000 0.818 282 S HN 0.618 nan 8.310 nan 0.000 0.472 283 A N 1.192 123.865 122.820 -0.245 0.000 1.933 283 A HA -0.023 4.298 4.320 0.001 0.000 0.218 283 A C 2.038 179.419 177.584 -0.339 0.000 1.175 283 A CA 1.417 53.264 52.037 -0.316 0.000 0.628 283 A CB -0.679 18.093 19.000 -0.380 0.000 0.814 283 A HN 0.610 nan 8.150 nan 0.000 0.444 284 I N -0.658 119.714 120.570 -0.330 0.000 2.252 284 I HA -0.190 3.981 4.170 0.001 0.000 0.245 284 I C 2.331 178.277 176.117 -0.285 0.000 1.102 284 I CA 0.893 62.022 61.300 -0.285 0.000 1.385 284 I CB -0.311 37.571 38.000 -0.197 0.000 1.064 284 I HN 0.143 nan 8.210 nan 0.000 0.414 285 V N 0.303 120.073 119.914 -0.241 0.000 2.287 285 V HA -0.306 3.815 4.120 0.001 0.000 0.248 285 V C 2.542 178.482 176.094 -0.256 0.000 1.053 285 V CA 2.324 64.487 62.300 -0.227 0.000 1.027 285 V CB -0.607 31.104 31.823 -0.186 0.000 0.646 285 V HN 0.391 nan 8.190 nan 0.000 0.447 286 S N 0.019 115.562 115.700 -0.263 0.000 2.368 286 S HA -0.148 4.323 4.470 0.001 0.000 0.225 286 S C 2.204 176.631 174.600 -0.289 0.000 1.030 286 S CA 1.332 59.369 58.200 -0.272 0.000 0.999 286 S CB -0.495 62.508 63.200 -0.328 0.000 0.844 286 S HN 0.659 nan 8.310 nan 0.000 0.459 287 A N 1.590 124.217 122.820 -0.321 0.000 1.933 287 A HA 0.082 4.403 4.320 0.001 0.000 0.218 287 A C 2.342 179.644 177.584 -0.469 0.000 1.175 287 A CA 1.713 53.571 52.037 -0.298 0.000 0.628 287 A CB -1.025 17.829 19.000 -0.243 0.000 0.814 287 A HN 0.515 nan 8.150 nan 0.000 0.444 288 A N -0.286 122.111 122.820 -0.705 0.000 1.898 288 A HA -0.137 4.184 4.320 0.001 0.000 0.216 288 A C 2.117 179.495 177.584 -0.343 0.000 1.181 288 A CA 1.692 53.193 52.037 -0.894 0.000 0.620 288 A CB -0.410 18.171 19.000 -0.698 0.000 0.819 288 A HN 0.509 nan 8.150 nan 0.000 0.442 289 K N -0.513 119.745 120.400 -0.237 0.000 2.103 289 K HA -0.052 4.269 4.320 0.001 0.000 0.207 289 K C 1.661 178.217 176.600 -0.073 0.000 1.048 289 K CA 1.347 57.560 56.287 -0.124 0.000 0.930 289 K CB -0.351 32.082 32.500 -0.112 0.000 0.716 289 K HN 0.469 nan 8.250 nan 0.000 0.444 290 L N 0.513 121.687 121.223 -0.082 0.000 2.478 290 L HA -0.074 4.267 4.340 0.001 0.000 0.223 290 L C -0.411 176.485 176.870 0.044 0.000 1.140 290 L CA 0.455 55.290 54.840 -0.008 0.000 0.842 290 L CB -0.363 41.701 42.059 0.008 0.000 0.953 290 L HN 0.266 nan 8.230 nan 0.000 0.452 291 D N 0.059 120.480 120.400 0.035 0.000 2.746 291 D HA -0.171 4.470 4.640 0.001 0.000 0.236 291 D C -0.197 176.235 176.300 0.221 0.000 1.129 291 D CA 0.414 54.512 54.000 0.162 0.000 0.691 291 D CB -1.165 39.713 40.800 0.130 0.000 1.077 291 D HN 0.157 nan 8.370 nan 0.000 0.432 292 L N 0.456 121.814 121.223 0.224 0.000 2.490 292 L HA 0.148 4.489 4.340 0.001 0.000 0.274 292 L C -1.110 175.919 176.870 0.266 0.000 1.201 292 L CA -1.082 53.901 54.840 0.238 0.000 0.869 292 L CB 0.049 42.242 42.059 0.222 0.000 1.123 292 L HN -0.017 nan 8.230 nan 0.000 0.484 293 P HA 0.139 nan 4.420 nan 0.000 0.225 293 P C -0.755 176.603 177.300 0.096 0.000 1.768 293 P CA 0.304 63.467 63.100 0.105 0.000 0.943 293 P CB -0.533 31.210 31.700 0.072 0.000 1.936 294 I N -2.707 117.933 120.570 0.116 0.000 2.994 294 I HA 0.538 4.709 4.170 0.001 0.000 0.306 294 I C -0.942 175.182 176.117 0.011 0.000 1.195 294 I CA -1.452 59.914 61.300 0.110 0.000 1.001 294 I CB 2.103 40.224 38.000 0.202 0.000 1.244 294 I HN -0.304 nan 8.210 nan 0.000 0.437 295 N N 4.010 122.714 118.700 0.008 0.000 2.438 295 N HA 0.696 5.437 4.740 0.001 0.000 0.282 295 N C -1.029 174.506 175.510 0.042 0.000 1.037 295 N CA -0.164 52.861 53.050 -0.042 0.000 0.942 295 N CB 1.829 40.296 38.487 -0.034 0.000 1.136 295 N HN 0.551 nan 8.380 nan 0.000 0.481 296 I N 0.867 121.489 120.570 0.086 0.000 2.686 296 I HA 0.405 4.575 4.170 0.001 0.000 0.295 296 I C -0.665 175.501 176.117 0.082 0.000 1.114 296 I CA -1.038 60.345 61.300 0.139 0.000 1.038 296 I CB 2.341 40.488 38.000 0.245 0.000 1.238 296 I HN -0.061 nan 8.210 nan 0.000 0.420 297 V N 3.306 123.226 119.914 0.010 0.000 2.540 297 V HA 0.754 4.874 4.120 0.001 0.000 0.302 297 V C 0.205 176.318 176.094 0.031 0.000 1.035 297 V CA -0.426 61.822 62.300 -0.086 0.000 0.873 297 V CB 1.946 33.446 31.823 -0.538 0.000 0.992 297 V HN 0.921 nan 8.190 nan 0.000 0.428 298 G N 4.470 113.327 108.800 0.096 0.000 2.461 298 G HA2 0.756 4.717 3.960 0.001 0.000 0.323 298 G HA3 0.756 4.717 3.960 0.001 0.000 0.323 298 G C -1.330 173.652 174.900 0.138 0.000 1.229 298 G CA -0.523 44.652 45.100 0.126 0.000 0.941 298 G HN 0.579 nan 8.290 nan 0.000 0.477 299 L N 1.365 122.666 121.223 0.131 0.000 2.409 299 L HA 0.750 5.091 4.340 0.001 0.000 0.272 299 L C -0.109 176.698 176.870 -0.104 0.000 0.980 299 L CA -1.002 53.915 54.840 0.129 0.000 0.826 299 L CB 2.459 44.727 42.059 0.348 0.000 1.268 299 L HN 0.647 nan 8.230 nan 0.000 0.407 300 A N 4.323 126.922 122.820 -0.368 0.000 2.569 300 A HA 0.690 5.011 4.320 0.001 0.000 0.282 300 A C -2.773 174.384 177.584 -0.710 0.000 1.165 300 A CA -1.244 50.542 52.037 -0.419 0.000 0.747 300 A CB 0.996 19.898 19.000 -0.164 0.000 1.215 300 A HN 0.328 nan 8.150 nan 0.000 0.431 301 P HA 0.411 nan 4.420 nan 0.000 0.276 301 P C -0.914 176.091 177.300 -0.491 0.000 1.243 301 P CA 0.172 62.677 63.100 -0.990 0.000 0.768 301 P CB 1.012 31.878 31.700 -1.390 0.000 0.856 302 L N 5.155 126.334 121.223 -0.074 0.000 2.385 302 L HA 0.657 4.998 4.340 0.001 0.000 0.273 302 L C 0.355 177.366 176.870 0.236 0.000 0.990 302 L CA -0.387 54.460 54.840 0.012 0.000 0.821 302 L CB 1.873 43.890 42.059 -0.070 0.000 1.279 302 L HN 0.666 nan 8.230 nan 0.000 0.412 303 C N -0.191 119.205 119.300 0.160 0.000 3.216 303 C HA 0.567 5.028 4.460 0.001 0.000 0.346 303 C C -1.014 174.032 174.990 0.093 0.000 1.384 303 C CA -0.966 58.145 59.018 0.154 0.000 1.208 303 C CB 1.472 29.345 27.740 0.223 0.000 1.483 303 C HN 0.869 nan 8.230 nan 0.000 0.453 304 E N 0.751 121.002 120.200 0.086 0.000 2.227 304 E HA 0.389 4.740 4.350 0.001 0.000 0.268 304 E C -0.867 175.778 176.600 0.074 0.000 0.990 304 E CA -0.420 56.036 56.400 0.094 0.000 0.856 304 E CB 1.471 31.242 29.700 0.118 0.000 1.159 304 E HN 0.639 nan 8.360 nan 0.000 0.401 305 N N 2.500 121.240 118.700 0.066 0.000 2.626 305 N HA 0.209 4.950 4.740 0.001 0.000 0.249 305 N C -1.234 174.317 175.510 0.069 0.000 1.021 305 N CA -0.279 52.794 53.050 0.038 0.000 0.886 305 N CB 0.434 38.913 38.487 -0.012 0.000 1.149 305 N HN 0.249 nan 8.380 nan 0.000 0.517 306 M N 2.897 122.539 119.600 0.070 0.000 2.644 306 M HA 0.540 5.021 4.480 0.001 0.000 0.304 306 M C -2.610 173.719 176.300 0.049 0.000 1.215 306 M CA -2.066 53.282 55.300 0.080 0.000 0.871 306 M CB 1.740 34.388 32.600 0.080 0.000 1.740 306 M HN 0.338 nan 8.290 nan 0.000 0.464 307 P HA 0.479 nan 4.420 nan 0.000 0.292 307 P C -1.071 176.244 177.300 0.025 0.000 1.283 307 P CA -0.153 62.966 63.100 0.031 0.000 0.835 307 P CB 1.500 33.219 31.700 0.032 0.000 1.017 308 S N 0.328 116.038 115.700 0.017 0.000 2.669 308 S HA 0.459 4.930 4.470 0.001 0.000 0.266 308 S C 0.914 175.520 174.600 0.009 0.000 1.149 308 S CA -0.198 58.010 58.200 0.013 0.000 0.842 308 S CB 0.244 63.452 63.200 0.013 0.000 1.160 308 S HN 0.388 nan 8.310 nan 0.000 0.487 309 G N 0.370 109.174 108.800 0.007 0.000 2.848 309 G HA2 0.142 4.103 3.960 0.001 0.000 0.208 309 G HA3 0.142 4.103 3.960 0.001 0.000 0.208 309 G C 0.732 175.634 174.900 0.003 0.000 1.152 309 G CA 0.594 45.697 45.100 0.005 0.000 0.789 309 G HN 0.879 nan 8.290 nan 0.000 0.531 310 K N -0.835 119.567 120.400 0.003 0.000 2.533 310 K HA 0.609 4.930 4.320 0.001 0.000 0.202 310 K C 0.672 177.273 176.600 0.001 0.000 1.096 310 K CA -0.248 56.040 56.287 0.001 0.000 1.056 310 K CB 0.889 33.388 32.500 -0.002 0.000 0.890 310 K HN 0.086 nan 8.250 nan 0.000 0.552 311 A N 1.709 124.532 122.820 0.004 0.000 2.346 311 A HA 0.184 4.505 4.320 0.001 0.000 0.252 311 A C -0.351 177.236 177.584 0.004 0.000 1.089 311 A CA -0.411 51.629 52.037 0.005 0.000 0.797 311 A CB -0.074 18.932 19.000 0.010 0.000 1.047 311 A HN 0.458 nan 8.150 nan 0.000 0.494 312 N N -0.018 118.685 118.700 0.004 0.000 2.353 312 N HA 0.101 4.842 4.740 0.001 0.000 0.248 312 N C -0.501 175.012 175.510 0.004 0.000 1.240 312 N CA 0.734 53.787 53.050 0.005 0.000 0.862 312 N CB 0.247 38.737 38.487 0.005 0.000 1.086 312 N HN 0.497 nan 8.380 nan 0.000 0.453 313 K N 3.031 123.434 120.400 0.005 0.000 2.270 313 K HA 0.384 4.705 4.320 0.001 0.000 0.255 313 K C -2.581 174.022 176.600 0.005 0.000 0.936 313 K CA -1.804 54.486 56.287 0.005 0.000 0.809 313 K CB 1.866 34.369 32.500 0.005 0.000 1.131 313 K HN 0.289 nan 8.250 nan 0.000 0.427 314 P HA -0.080 nan 4.420 nan 0.000 0.262 314 P C 0.620 177.923 177.300 0.006 0.000 1.182 314 P CA 1.119 64.221 63.100 0.003 0.000 0.761 314 P CB 0.556 32.257 31.700 0.001 0.000 0.795 315 G N 2.054 110.859 108.800 0.008 0.000 2.234 315 G HA2 -0.191 3.770 3.960 0.001 0.000 0.235 315 G HA3 -0.191 3.770 3.960 0.001 0.000 0.235 315 G C 0.027 174.936 174.900 0.014 0.000 0.997 315 G CA -0.332 44.774 45.100 0.011 0.000 0.623 315 G HN 0.495 nan 8.290 nan 0.000 0.514 316 D N 0.446 120.855 120.400 0.014 0.000 2.423 316 D HA 0.435 5.076 4.640 0.001 0.000 0.238 316 D C 0.433 176.748 176.300 0.025 0.000 1.142 316 D CA 0.321 54.331 54.000 0.016 0.000 0.884 316 D CB 1.660 42.468 40.800 0.014 0.000 1.199 316 D HN 0.219 nan 8.370 nan 0.000 0.438 317 V N 2.610 122.539 119.914 0.026 0.000 2.417 317 V HA 0.395 4.516 4.120 0.001 0.000 0.291 317 V C 0.196 176.311 176.094 0.036 0.000 1.024 317 V CA -0.709 61.612 62.300 0.035 0.000 0.861 317 V CB 1.625 33.466 31.823 0.030 0.000 0.985 317 V HN 0.403 nan 8.190 nan 0.000 0.436 318 V N 2.899 122.843 119.914 0.051 0.000 2.960 318 V HA 0.726 4.846 4.120 0.001 0.000 0.315 318 V C -0.390 175.740 176.094 0.060 0.000 1.087 318 V CA -1.105 61.224 62.300 0.048 0.000 0.982 318 V CB 1.968 33.821 31.823 0.049 0.000 1.039 318 V HN 0.857 nan 8.190 nan 0.000 0.437 319 R N 2.108 122.637 120.500 0.047 0.000 2.295 319 R HA 0.764 5.105 4.340 0.001 0.000 0.324 319 R C 0.039 176.374 176.300 0.059 0.000 0.968 319 R CA -0.043 56.089 56.100 0.052 0.000 0.837 319 R CB 1.405 31.721 30.300 0.027 0.000 1.133 319 R HN 1.193 nan 8.270 nan 0.000 0.450 320 A N 3.312 126.190 122.820 0.096 0.000 2.296 320 A HA 0.150 4.470 4.320 0.001 0.000 0.264 320 A C 1.146 178.774 177.584 0.073 0.000 1.097 320 A CA -0.346 51.746 52.037 0.092 0.000 0.811 320 A CB 0.480 19.588 19.000 0.180 0.000 1.072 320 A HN 1.038 nan 8.150 nan 0.000 0.495 321 R N 0.376 120.910 120.500 0.057 0.000 2.117 321 R HA -0.205 4.136 4.340 0.001 0.000 0.243 321 R C 1.430 177.750 176.300 0.033 0.000 1.143 321 R CA 2.202 58.318 56.100 0.027 0.000 0.968 321 R CB -0.512 29.805 30.300 0.027 0.000 0.863 321 R HN 0.958 nan 8.270 nan 0.000 0.444 322 N N -1.605 117.140 118.700 0.074 0.000 2.449 322 N HA 0.033 4.774 4.740 0.001 0.000 0.191 322 N C 0.864 176.379 175.510 0.009 0.000 1.161 322 N CA 0.466 53.535 53.050 0.033 0.000 0.863 322 N CB 0.586 39.089 38.487 0.027 0.000 0.980 322 N HN 0.333 nan 8.380 nan 0.000 0.458 323 G N 0.554 109.370 108.800 0.027 0.000 2.217 323 G HA2 -0.305 3.656 3.960 0.001 0.000 0.246 323 G HA3 -0.305 3.656 3.960 0.001 0.000 0.246 323 G C -0.091 174.816 174.900 0.012 0.000 0.990 323 G CA -0.119 44.985 45.100 0.007 0.000 0.627 323 G HN 0.380 nan 8.290 nan 0.000 0.522 324 K N 2.018 122.437 120.400 0.031 0.000 2.350 324 K HA 0.439 4.760 4.320 0.001 0.000 0.279 324 K C 0.834 177.481 176.600 0.078 0.000 1.027 324 K CA 0.646 56.940 56.287 0.011 0.000 0.969 324 K CB 0.556 33.006 32.500 -0.084 0.000 0.954 324 K HN 0.388 nan 8.250 nan 0.000 0.474 325 T N 0.277 114.856 114.554 0.043 0.000 2.882 325 T HA 0.555 4.906 4.350 0.001 0.000 0.287 325 T C 0.177 174.936 174.700 0.098 0.000 0.992 325 T CA -0.797 61.341 62.100 0.064 0.000 1.076 325 T CB 0.567 69.454 68.868 0.033 0.000 0.961 325 T HN 0.340 nan 8.240 nan 0.000 0.490 326 I N 1.915 122.564 120.570 0.132 0.000 2.498 326 I HA 0.333 4.503 4.170 0.001 0.000 0.290 326 I C -0.043 176.154 176.117 0.134 0.000 1.032 326 I CA -0.897 60.515 61.300 0.188 0.000 1.073 326 I CB 2.327 40.503 38.000 0.293 0.000 1.251 326 I HN 0.658 nan 8.210 nan 0.000 0.426 327 Q N 5.430 125.305 119.800 0.125 0.000 2.322 327 Q HA 0.351 4.692 4.340 0.001 0.000 0.256 327 Q C -1.112 174.933 176.000 0.075 0.000 0.960 327 Q CA -0.552 55.298 55.803 0.079 0.000 0.934 327 Q CB 1.386 30.159 28.738 0.058 0.000 1.200 327 Q HN 0.570 nan 8.270 nan 0.000 0.435 328 V N 5.680 125.623 119.914 0.049 0.000 2.153 328 V HA 0.003 4.124 4.120 0.001 0.000 0.250 328 V C 0.290 176.389 176.094 0.009 0.000 1.334 328 V CA -0.079 62.235 62.300 0.023 0.000 1.249 328 V CB 0.347 32.180 31.823 0.017 0.000 1.371 328 V HN 0.827 nan 8.190 nan 0.000 0.498 329 D N 2.391 122.794 120.400 0.005 0.000 2.224 329 D HA -0.042 4.598 4.640 0.001 0.000 0.205 329 D C 0.920 177.214 176.300 -0.010 0.000 0.965 329 D CA 1.200 55.199 54.000 -0.001 0.000 0.852 329 D CB 0.161 40.960 40.800 -0.001 0.000 0.947 329 D HN 0.637 nan 8.370 nan 0.000 0.494 330 N N -1.165 117.522 118.700 -0.023 0.000 2.480 330 N HA 0.068 4.809 4.740 0.001 0.000 0.289 330 N C 0.776 176.263 175.510 -0.038 0.000 1.073 330 N CA -0.107 52.926 53.050 -0.028 0.000 0.885 330 N CB 1.274 39.740 38.487 -0.034 0.000 1.421 330 N HN -0.204 nan 8.380 nan 0.000 0.503 331 T N -0.356 114.183 114.554 -0.026 0.000 3.007 331 T HA -0.121 4.230 4.350 0.001 0.000 0.270 331 T C 1.110 175.786 174.700 -0.039 0.000 1.107 331 T CA 1.018 63.102 62.100 -0.027 0.000 1.118 331 T CB -0.076 68.784 68.868 -0.012 0.000 0.889 331 T HN 0.417 nan 8.240 nan 0.000 0.506 332 D N 1.527 121.900 120.400 -0.045 0.000 2.349 332 D HA 0.242 4.882 4.640 0.001 0.000 0.224 332 D C 1.075 177.329 176.300 -0.077 0.000 1.029 332 D CA 0.191 54.157 54.000 -0.057 0.000 0.879 332 D CB -0.297 40.474 40.800 -0.048 0.000 0.906 332 D HN 0.560 nan 8.370 nan 0.000 0.528 333 A N 1.045 123.810 122.820 -0.092 0.000 3.260 333 A HA 0.146 4.467 4.320 0.001 0.000 0.268 333 A C 1.407 178.898 177.584 -0.156 0.000 1.491 333 A CA -0.366 51.591 52.037 -0.134 0.000 1.181 333 A CB -0.231 18.673 19.000 -0.160 0.000 1.137 333 A HN 0.171 nan 8.150 nan 0.000 0.642 334 E N 0.282 120.415 120.200 -0.113 0.000 2.230 334 E HA -0.045 4.305 4.350 0.001 0.000 0.192 334 E C 1.498 178.040 176.600 -0.098 0.000 0.987 334 E CA 1.241 57.586 56.400 -0.091 0.000 0.841 334 E CB -0.809 28.861 29.700 -0.050 0.000 0.783 334 E HN 0.383 nan 8.360 nan 0.000 0.481 335 G N 2.817 111.550 108.800 -0.112 0.000 2.440 335 G HA2 -0.349 3.612 3.960 0.001 0.000 0.218 335 G HA3 -0.349 3.612 3.960 0.001 0.000 0.218 335 G C 1.881 176.707 174.900 -0.123 0.000 1.154 335 G CA 1.397 46.434 45.100 -0.103 0.000 0.767 335 G HN 0.470 nan 8.290 nan 0.000 0.552 336 R N 0.252 120.633 120.500 -0.199 0.000 2.148 336 R HA 0.148 4.488 4.340 0.001 0.000 0.227 336 R C 2.277 178.473 176.300 -0.173 0.000 1.103 336 R CA 0.955 56.907 56.100 -0.246 0.000 0.983 336 R CB -0.597 29.358 30.300 -0.575 0.000 0.874 336 R HN 0.386 nan 8.270 nan 0.000 0.451 337 L N 1.611 122.727 121.223 -0.178 0.000 2.027 337 L HA -0.073 4.268 4.340 0.001 0.000 0.206 337 L C 2.787 179.644 176.870 -0.023 0.000 1.074 337 L CA 1.376 56.179 54.840 -0.062 0.000 0.745 337 L CB -0.565 41.474 42.059 -0.033 0.000 0.898 337 L HN 0.291 nan 8.230 nan 0.000 0.433 338 I N -2.351 118.204 120.570 -0.025 0.000 2.439 338 I HA -0.200 3.971 4.170 0.001 0.000 0.251 338 I C 2.223 178.263 176.117 -0.128 0.000 1.139 338 I CA 1.264 62.528 61.300 -0.060 0.000 1.438 338 I CB -0.223 37.690 38.000 -0.145 0.000 1.085 338 I HN 0.132 nan 8.210 nan 0.000 0.427 339 L N 1.480 122.645 121.223 -0.096 0.000 2.217 339 L HA -0.030 4.310 4.340 0.001 0.000 0.211 339 L C 3.082 179.914 176.870 -0.063 0.000 1.107 339 L CA 0.996 55.805 54.840 -0.052 0.000 0.783 339 L CB -0.672 41.380 42.059 -0.012 0.000 0.919 339 L HN 0.359 nan 8.230 nan 0.000 0.442 340 A N 0.173 122.876 122.820 -0.194 0.000 1.883 340 A HA -0.255 4.066 4.320 0.001 0.000 0.217 340 A C 1.951 179.373 177.584 -0.270 0.000 1.186 340 A CA 2.162 53.851 52.037 -0.581 0.000 0.624 340 A CB -0.483 17.763 19.000 -1.256 0.000 0.822 340 A HN 0.343 nan 8.150 nan 0.000 0.444 341 D N -0.276 120.066 120.400 -0.096 0.000 2.123 341 D HA 0.023 4.664 4.640 0.001 0.000 0.200 341 D C 2.266 178.692 176.300 0.209 0.000 0.976 341 D CA 1.408 55.450 54.000 0.071 0.000 0.831 341 D CB -0.427 40.459 40.800 0.143 0.000 0.974 341 D HN 0.415 nan 8.370 nan 0.000 0.469 342 A N 0.769 123.733 122.820 0.240 0.000 1.902 342 A HA -0.105 4.215 4.320 0.001 0.000 0.217 342 A C 2.388 180.194 177.584 0.370 0.000 1.181 342 A CA 0.839 53.131 52.037 0.425 0.000 0.623 342 A CB -0.762 18.380 19.000 0.237 0.000 0.818 342 A HN 0.187 nan 8.150 nan 0.000 0.443 343 L N -1.002 120.361 121.223 0.234 0.000 2.083 343 L HA -0.230 4.111 4.340 0.001 0.000 0.209 343 L C 2.822 179.901 176.870 0.348 0.000 1.083 343 L CA 1.311 56.292 54.840 0.235 0.000 0.752 343 L CB -0.672 41.471 42.059 0.141 0.000 0.899 343 L HN 0.667 nan 8.230 nan 0.000 0.433 344 C N -0.672 118.796 119.300 0.280 0.000 2.413 344 C HA -0.276 4.185 4.460 0.001 0.000 0.277 344 C C 2.849 178.041 174.990 0.337 0.000 1.228 344 C CA 0.871 60.034 59.018 0.242 0.000 1.731 344 C CB -0.737 27.106 27.740 0.171 0.000 2.042 344 C HN 0.606 nan 8.230 nan 0.000 0.468 345 Y N 2.030 122.459 120.300 0.214 0.000 2.256 345 Y HA -0.046 4.505 4.550 0.001 0.000 0.288 345 Y C 2.365 178.487 175.900 0.370 0.000 1.155 345 Y CA 1.472 59.707 58.100 0.225 0.000 1.203 345 Y CB -0.816 37.771 38.460 0.213 0.000 0.980 345 Y HN 0.385 nan 8.280 nan 0.000 0.530 346 A N -0.637 122.396 122.820 0.355 0.000 1.978 346 A HA -0.247 4.074 4.320 0.001 0.000 0.220 346 A C 1.741 179.441 177.584 0.194 0.000 1.170 346 A CA 2.004 54.200 52.037 0.266 0.000 0.636 346 A CB -1.081 18.002 19.000 0.138 0.000 0.810 346 A HN 0.672 nan 8.150 nan 0.000 0.448 347 H N -0.113 119.028 119.070 0.118 0.000 2.491 347 H HA -0.047 4.509 4.556 0.001 0.000 0.290 347 H C 2.426 177.770 175.328 0.026 0.000 1.050 347 H CA 1.712 57.816 56.048 0.093 0.000 1.309 347 H CB -0.361 29.444 29.762 0.072 0.000 1.392 347 H HN 0.680 nan 8.280 nan 0.000 0.554 348 T N -2.085 112.469 114.554 0.001 0.000 3.007 348 T HA -0.140 4.210 4.350 0.001 0.000 0.270 348 T C 1.321 175.809 174.700 -0.354 0.000 1.107 348 T CA 0.771 62.729 62.100 -0.236 0.000 1.118 348 T CB -0.483 68.117 68.868 -0.447 0.000 0.889 348 T HN 0.222 nan 8.240 nan 0.000 0.506 349 F N 1.899 121.790 119.950 -0.098 0.000 2.797 349 F HA 0.370 4.898 4.527 0.001 0.000 0.302 349 F C 0.858 176.638 175.800 -0.033 0.000 1.130 349 F CA -0.766 57.184 58.000 -0.083 0.000 1.387 349 F CB -1.054 37.877 39.000 -0.115 0.000 1.107 349 F HN 0.159 nan 8.300 nan 0.000 0.577 350 N N 0.484 119.259 118.700 0.125 0.000 2.699 350 N HA -0.168 4.573 4.740 0.001 0.000 0.256 350 N C -2.576 173.018 175.510 0.141 0.000 0.993 350 N CA -0.311 52.810 53.050 0.118 0.000 0.759 350 N CB -0.978 37.553 38.487 0.072 0.000 0.906 350 N HN 0.190 nan 8.380 nan 0.000 0.541 351 P HA 0.003 nan 4.420 nan 0.000 0.274 351 P C 0.083 177.500 177.300 0.196 0.000 1.246 351 P CA -0.109 63.049 63.100 0.097 0.000 0.795 351 P CB 0.985 32.658 31.700 -0.044 0.000 1.006 352 K N -0.135 120.337 120.400 0.119 0.000 2.116 352 K HA 0.075 4.395 4.320 0.001 0.000 0.203 352 K C 0.881 177.609 176.600 0.213 0.000 1.052 352 K CA 1.195 57.585 56.287 0.172 0.000 0.952 352 K CB -0.147 32.441 32.500 0.148 0.000 0.729 352 K HN 0.480 nan 8.250 nan 0.000 0.446 353 V N -1.993 117.922 119.914 0.001 0.000 3.147 353 V HA 0.529 4.650 4.120 0.001 0.000 0.306 353 V C -1.302 174.583 176.094 -0.349 0.000 1.209 353 V CA -1.158 61.085 62.300 -0.095 0.000 1.023 353 V CB 2.125 33.980 31.823 0.054 0.000 1.059 353 V HN -0.038 nan 8.190 nan 0.000 0.435 354 I N 3.046 123.407 120.570 -0.348 0.000 2.439 354 I HA 0.570 4.741 4.170 0.001 0.000 0.285 354 I C -1.040 174.994 176.117 -0.137 0.000 1.021 354 I CA -0.364 60.783 61.300 -0.254 0.000 1.091 354 I CB 1.901 39.788 38.000 -0.188 0.000 1.242 354 I HN 0.535 nan 8.210 nan 0.000 0.439 355 I N 7.009 127.377 120.570 -0.336 0.000 2.447 355 I HA 0.329 4.500 4.170 0.001 0.000 0.287 355 I C -0.570 175.479 176.117 -0.115 0.000 1.023 355 I CA -0.562 60.537 61.300 -0.334 0.000 1.083 355 I CB 1.770 39.368 38.000 -0.670 0.000 1.245 355 I HN 0.614 nan 8.210 nan 0.000 0.434 356 N N 5.734 124.465 118.700 0.051 0.000 2.335 356 N HA 0.822 5.563 4.740 0.001 0.000 0.304 356 N C -1.403 174.197 175.510 0.150 0.000 1.135 356 N CA -0.588 52.560 53.050 0.164 0.000 0.817 356 N CB 2.970 41.627 38.487 0.282 0.000 1.294 356 N HN 0.552 nan 8.380 nan 0.000 0.497 357 A N 0.233 123.140 122.820 0.145 0.000 2.393 357 A HA 0.864 5.184 4.320 0.001 0.000 0.306 357 A C -1.269 176.375 177.584 0.099 0.000 1.050 357 A CA -0.560 51.538 52.037 0.103 0.000 0.724 357 A CB 1.567 20.611 19.000 0.075 0.000 1.248 357 A HN 1.086 nan 8.150 nan 0.000 0.424 358 A N 0.804 123.683 122.820 0.098 0.000 2.594 358 A HA 0.690 5.010 4.320 0.001 0.000 0.296 358 A C -0.161 177.456 177.584 0.055 0.000 1.061 358 A CA 0.118 52.200 52.037 0.075 0.000 0.689 358 A CB 0.664 19.732 19.000 0.113 0.000 1.280 358 A HN 1.725 nan 8.150 nan 0.000 0.406 359 T N 1.191 115.752 114.554 0.012 0.000 4.098 359 T HA 0.306 4.656 4.350 0.001 0.000 0.291 359 T C 0.888 175.589 174.700 0.002 0.000 1.440 359 T CA -0.081 62.019 62.100 -0.001 0.000 1.164 359 T CB -0.407 68.443 68.868 -0.029 0.000 1.313 359 T HN 0.563 nan 8.240 nan 0.000 0.951 360 L N 2.465 123.714 121.223 0.044 0.000 2.068 360 L HA 0.212 4.553 4.340 0.001 0.000 0.204 360 L C 1.222 178.095 176.870 0.006 0.000 1.076 360 L CA 1.395 56.258 54.840 0.038 0.000 0.753 360 L CB -0.135 41.996 42.059 0.118 0.000 0.910 360 L HN 0.834 nan 8.230 nan 0.000 0.439 361 T N -5.402 109.166 114.554 0.023 0.000 2.912 361 T HA 0.507 4.858 4.350 0.001 0.000 0.299 361 T C 0.828 175.531 174.700 0.005 0.000 1.052 361 T CA -0.344 61.759 62.100 0.006 0.000 0.996 361 T CB 1.319 70.198 68.868 0.017 0.000 1.070 361 T HN 0.072 nan 8.240 nan 0.000 0.465 362 G N 0.687 109.484 108.800 -0.006 0.000 2.443 362 G HA2 0.099 4.060 3.960 0.001 0.000 0.219 362 G HA3 0.099 4.060 3.960 0.001 0.000 0.219 362 G C 1.611 176.513 174.900 0.003 0.000 1.131 362 G CA 0.695 45.792 45.100 -0.006 0.000 0.775 362 G HN 1.173 nan 8.290 nan 0.000 0.547 363 A N 0.465 123.292 122.820 0.011 0.000 1.940 363 A HA -0.075 4.246 4.320 0.001 0.000 0.219 363 A C 2.275 179.873 177.584 0.022 0.000 1.176 363 A CA 2.189 54.237 52.037 0.019 0.000 0.631 363 A CB -0.335 18.681 19.000 0.026 0.000 0.814 363 A HN 0.393 nan 8.150 nan 0.000 0.446 364 M N 0.053 119.673 119.600 0.034 0.000 2.159 364 M HA -0.121 4.359 4.480 0.001 0.000 0.263 364 M C 1.515 177.818 176.300 0.006 0.000 1.063 364 M CA 2.284 57.607 55.300 0.037 0.000 1.110 364 M CB -0.523 32.112 32.600 0.060 0.000 1.374 364 M HN 0.473 nan 8.290 nan 0.000 0.411 365 D N -0.462 119.938 120.400 0.001 0.000 2.117 365 D HA -0.121 4.519 4.640 0.001 0.000 0.198 365 D C 1.805 178.094 176.300 -0.019 0.000 0.982 365 D CA 1.470 55.463 54.000 -0.011 0.000 0.828 365 D CB -0.129 40.665 40.800 -0.010 0.000 0.967 365 D HN 0.516 nan 8.370 nan 0.000 0.464 366 I N 0.247 120.810 120.570 -0.012 0.000 2.394 366 I HA -0.191 3.979 4.170 0.001 0.000 0.251 366 I C 2.374 178.475 176.117 -0.027 0.000 1.136 366 I CA 0.846 62.137 61.300 -0.016 0.000 1.425 366 I CB -0.258 37.739 38.000 -0.005 0.000 1.079 366 I HN 0.070 nan 8.210 nan 0.000 0.425 367 A N 0.787 123.592 122.820 -0.026 0.000 1.840 367 A HA -0.021 4.300 4.320 0.001 0.000 0.214 367 A C 2.056 179.588 177.584 -0.085 0.000 1.198 367 A CA 1.364 53.375 52.037 -0.044 0.000 0.608 367 A CB -0.382 18.602 19.000 -0.027 0.000 0.839 367 A HN 0.419 nan 8.150 nan 0.000 0.443 368 L N -2.287 118.885 121.223 -0.086 0.000 2.920 368 L HA 0.346 4.686 4.340 0.001 0.000 0.257 368 L C 1.452 178.263 176.870 -0.098 0.000 1.150 368 L CA 0.118 54.881 54.840 -0.129 0.000 0.959 368 L CB -0.106 41.867 42.059 -0.143 0.000 1.321 368 L HN 0.655 nan 8.230 nan 0.000 0.555 369 G N 1.849 110.612 108.800 -0.063 0.000 2.596 369 G HA2 -0.403 3.557 3.960 0.001 0.000 0.295 369 G HA3 -0.403 3.557 3.960 0.001 0.000 0.295 369 G C 0.716 175.592 174.900 -0.040 0.000 1.240 369 G CA 0.576 45.647 45.100 -0.048 0.000 0.985 369 G HN 0.419 nan 8.290 nan 0.000 0.555 370 S N 0.417 116.095 115.700 -0.036 0.000 2.577 370 S HA 0.421 4.892 4.470 0.001 0.000 0.219 370 S C 2.109 176.696 174.600 -0.022 0.000 0.962 370 S CA 0.983 59.169 58.200 -0.023 0.000 0.921 370 S CB 0.643 63.832 63.200 -0.019 0.000 0.789 370 S HN 1.799 nan 8.310 nan 0.000 0.497 371 G N 1.199 109.969 108.800 -0.050 0.000 2.408 371 G HA2 0.420 4.381 3.960 0.001 0.000 0.217 371 G HA3 0.420 4.381 3.960 0.001 0.000 0.217 371 G C 0.397 175.280 174.900 -0.027 0.000 1.150 371 G CA 0.581 45.642 45.100 -0.066 0.000 0.776 371 G HN 1.040 nan 8.290 nan 0.000 0.542 372 A N -2.038 120.777 122.820 -0.008 0.000 2.599 372 A HA 0.613 4.934 4.320 0.001 0.000 0.294 372 A C -0.553 177.070 177.584 0.065 0.000 1.055 372 A CA -0.465 51.612 52.037 0.067 0.000 0.683 372 A CB 0.465 19.551 19.000 0.144 0.000 1.278 372 A HN 0.040 nan 8.150 nan 0.000 0.412 373 T N 1.424 116.031 114.554 0.088 0.000 2.851 373 T HA 0.490 4.841 4.350 0.001 0.000 0.298 373 T C 0.790 175.524 174.700 0.057 0.000 0.977 373 T CA 0.867 62.999 62.100 0.053 0.000 1.126 373 T CB 0.895 69.789 68.868 0.042 0.000 0.916 373 T HN 1.184 nan 8.240 nan 0.000 0.529 374 G N 1.911 110.707 108.800 -0.007 0.000 2.380 374 G HA2 0.482 4.443 3.960 0.001 0.000 0.262 374 G HA3 0.482 4.443 3.960 0.001 0.000 0.262 374 G C -0.669 174.121 174.900 -0.183 0.000 1.243 374 G CA -0.360 44.682 45.100 -0.097 0.000 0.865 374 G HN 0.642 nan 8.290 nan 0.000 0.513 375 V N 3.018 122.771 119.914 -0.269 0.000 2.444 375 V HA 0.435 4.555 4.120 0.001 0.000 0.294 375 V C -0.905 174.932 176.094 -0.428 0.000 1.022 375 V CA -0.641 61.524 62.300 -0.224 0.000 0.850 375 V CB 1.142 32.996 31.823 0.053 0.000 0.992 375 V HN 0.589 nan 8.190 nan 0.000 0.426 376 F N 2.809 122.598 119.950 -0.268 0.000 2.426 376 F HA 0.701 5.229 4.527 0.001 0.000 0.348 376 F C 0.432 176.027 175.800 -0.341 0.000 1.124 376 F CA -0.275 57.577 58.000 -0.246 0.000 1.008 376 F CB 2.096 41.024 39.000 -0.120 0.000 1.139 376 F HN 0.444 nan 8.300 nan 0.000 0.452 377 T N 1.722 116.228 114.554 -0.079 0.000 2.923 377 T HA 0.240 4.590 4.350 0.001 0.000 0.311 377 T C 0.109 174.860 174.700 0.084 0.000 1.183 377 T CA -0.845 61.209 62.100 -0.076 0.000 1.020 377 T CB 0.899 69.752 68.868 -0.026 0.000 1.165 377 T HN 0.600 nan 8.240 nan 0.000 0.482 378 N N 1.747 120.565 118.700 0.197 0.000 2.314 378 N HA 0.162 4.903 4.740 0.001 0.000 0.200 378 N C -0.106 175.538 175.510 0.223 0.000 1.135 378 N CA -0.312 52.886 53.050 0.246 0.000 0.835 378 N CB 0.554 39.242 38.487 0.336 0.000 0.989 378 N HN 0.287 nan 8.380 nan 0.000 0.478 379 S N -0.824 115.009 115.700 0.222 0.000 2.756 379 S HA 0.381 4.851 4.470 0.001 0.000 0.303 379 S C 0.301 175.068 174.600 0.277 0.000 1.135 379 S CA -0.630 57.730 58.200 0.268 0.000 1.066 379 S CB 0.923 64.332 63.200 0.348 0.000 1.008 379 S HN 0.128 nan 8.310 nan 0.000 0.482 380 S N 3.518 119.373 115.700 0.259 0.000 2.423 380 S HA -0.053 4.418 4.470 0.001 0.000 0.231 380 S C 1.225 176.002 174.600 0.294 0.000 1.014 380 S CA 0.951 59.311 58.200 0.268 0.000 0.965 380 S CB -0.325 62.994 63.200 0.199 0.000 0.785 380 S HN 0.928 nan 8.310 nan 0.000 0.495 381 W N 2.068 123.459 121.300 0.152 0.000 2.355 381 W HA -0.094 4.567 4.660 0.001 0.000 0.309 381 W C 1.768 178.380 176.519 0.155 0.000 1.206 381 W CA 0.811 58.239 57.345 0.137 0.000 1.284 381 W CB -0.496 29.041 29.460 0.128 0.000 1.145 381 W HN 0.243 nan 8.180 nan 0.000 0.502 382 L N 1.035 122.419 121.223 0.268 0.000 2.056 382 L HA -0.133 4.208 4.340 0.001 0.000 0.207 382 L C 2.284 179.117 176.870 -0.063 0.000 1.078 382 L CA 2.361 57.227 54.840 0.044 0.000 0.749 382 L CB -1.641 40.582 42.059 0.273 0.000 0.901 382 L HN 0.468 nan 8.230 nan 0.000 0.433 383 W N 0.521 121.775 121.300 -0.076 0.000 2.335 383 W HA -0.274 4.387 4.660 0.001 0.000 0.311 383 W C 2.021 178.491 176.519 -0.081 0.000 1.213 383 W CA 1.704 58.983 57.345 -0.110 0.000 1.274 383 W CB -0.410 28.971 29.460 -0.131 0.000 1.148 383 W HN 0.303 nan 8.180 nan 0.000 0.498 384 N N 0.843 119.272 118.700 -0.452 0.000 2.166 384 N HA -0.176 4.565 4.740 0.001 0.000 0.186 384 N C 1.608 176.885 175.510 -0.389 0.000 1.019 384 N CA 1.520 54.286 53.050 -0.474 0.000 0.856 384 N CB -0.425 37.947 38.487 -0.193 0.000 0.993 384 N HN 0.141 nan 8.380 nan 0.000 0.426 385 K N 1.271 121.427 120.400 -0.407 0.000 2.057 385 K HA 0.014 4.334 4.320 0.001 0.000 0.206 385 K C 2.252 178.799 176.600 -0.088 0.000 1.050 385 K CA 0.441 56.580 56.287 -0.247 0.000 0.935 385 K CB -0.617 31.728 32.500 -0.259 0.000 0.715 385 K HN 0.239 nan 8.250 nan 0.000 0.439 386 L N -0.234 120.868 121.223 -0.203 0.000 2.056 386 L HA -0.149 4.192 4.340 0.001 0.000 0.207 386 L C 2.412 179.116 176.870 -0.276 0.000 1.078 386 L CA 0.905 55.617 54.840 -0.213 0.000 0.749 386 L CB -0.425 41.464 42.059 -0.283 0.000 0.901 386 L HN 0.005 nan 8.230 nan 0.000 0.433 387 F N 1.234 120.735 119.950 -0.749 0.000 2.102 387 F HA -0.219 4.309 4.527 0.001 0.000 0.298 387 F C 2.397 177.995 175.800 -0.336 0.000 1.105 387 F CA 1.736 59.286 58.000 -0.749 0.000 1.239 387 F CB -0.241 38.016 39.000 -1.238 0.000 0.991 387 F HN 0.055 nan 8.300 nan 0.000 0.474 388 E N 0.163 120.140 120.200 -0.371 0.000 2.077 388 E HA -0.196 4.155 4.350 0.001 0.000 0.193 388 E C 2.361 178.841 176.600 -0.200 0.000 0.989 388 E CA 1.075 57.287 56.400 -0.314 0.000 0.800 388 E CB -0.459 29.145 29.700 -0.159 0.000 0.746 388 E HN 0.493 nan 8.360 nan 0.000 0.452 389 A N 1.411 124.170 122.820 -0.102 0.000 1.933 389 A HA -0.205 4.116 4.320 0.001 0.000 0.218 389 A C 2.327 179.903 177.584 -0.013 0.000 1.175 389 A CA 1.861 53.903 52.037 0.008 0.000 0.628 389 A CB -0.630 18.442 19.000 0.120 0.000 0.814 389 A HN 0.335 nan 8.150 nan 0.000 0.444 390 S N -0.008 115.645 115.700 -0.079 0.000 2.423 390 S HA -0.088 4.383 4.470 0.001 0.000 0.231 390 S C 1.837 176.423 174.600 -0.024 0.000 1.014 390 S CA 1.260 59.442 58.200 -0.030 0.000 0.965 390 S CB -0.731 62.457 63.200 -0.021 0.000 0.785 390 S HN 0.490 nan 8.310 nan 0.000 0.495 391 I N 1.618 122.097 120.570 -0.151 0.000 2.226 391 I HA -0.147 4.024 4.170 0.001 0.000 0.245 391 I C 2.925 179.069 176.117 0.044 0.000 1.100 391 I CA 1.842 63.097 61.300 -0.075 0.000 1.374 391 I CB -0.408 37.460 38.000 -0.220 0.000 1.057 391 I HN 0.375 nan 8.210 nan 0.000 0.413 392 E N 1.088 121.289 120.200 0.001 0.000 2.047 392 E HA -0.212 4.139 4.350 0.001 0.000 0.191 392 E C 2.123 178.711 176.600 -0.019 0.000 0.987 392 E CA 2.272 58.668 56.400 -0.006 0.000 0.799 392 E CB -0.178 29.514 29.700 -0.013 0.000 0.752 392 E HN 0.515 nan 8.360 nan 0.000 0.449 393 T N -3.721 110.848 114.554 0.026 0.000 3.023 393 T HA 0.169 4.520 4.350 0.001 0.000 0.266 393 T C 1.738 176.476 174.700 0.064 0.000 1.093 393 T CA 0.958 63.080 62.100 0.037 0.000 1.129 393 T CB -0.134 68.794 68.868 0.101 0.000 0.899 393 T HN 0.413 nan 8.240 nan 0.000 0.491 394 G N 1.158 110.038 108.800 0.133 0.000 2.225 394 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 394 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 394 G C -0.009 175.092 174.900 0.335 0.000 0.988 394 G CA 0.184 45.432 45.100 0.247 0.000 0.625 394 G HN 0.649 nan 8.290 nan 0.000 0.527 395 D N 1.533 122.066 120.400 0.221 0.000 2.522 395 D HA 0.353 4.993 4.640 0.001 0.000 0.218 395 D C 1.158 177.559 176.300 0.167 0.000 1.149 395 D CA -0.386 53.727 54.000 0.189 0.000 0.981 395 D CB -0.079 40.804 40.800 0.138 0.000 1.041 395 D HN 0.469 nan 8.370 nan 0.000 0.518 396 R N 0.579 121.201 120.500 0.204 0.000 2.734 396 R HA 0.272 4.613 4.340 0.001 0.000 0.266 396 R C 0.339 176.755 176.300 0.193 0.000 1.044 396 R CA -0.259 55.956 56.100 0.190 0.000 1.128 396 R CB 0.782 31.196 30.300 0.190 0.000 1.010 396 R HN 0.184 nan 8.270 nan 0.000 0.461 397 V N -1.163 118.907 119.914 0.259 0.000 2.960 397 V HA 0.650 4.771 4.120 0.001 0.000 0.315 397 V C -0.929 175.500 176.094 0.559 0.000 1.087 397 V CA -1.041 61.449 62.300 0.317 0.000 0.982 397 V CB 2.531 34.497 31.823 0.238 0.000 1.039 397 V HN 0.824 nan 8.190 nan 0.000 0.437 398 W N 3.318 124.760 121.300 0.237 0.000 3.097 398 W HA 0.537 5.198 4.660 0.001 0.000 0.335 398 W C -0.550 175.817 176.519 -0.255 0.000 1.114 398 W CA -0.634 56.762 57.345 0.085 0.000 1.231 398 W CB 2.349 31.786 29.460 -0.039 0.000 1.388 398 W HN 0.842 nan 8.180 nan 0.000 0.485 399 R N 4.772 124.577 120.500 -1.159 0.000 2.491 399 R HA 0.315 4.656 4.340 0.001 0.000 0.283 399 R C -0.126 175.680 176.300 -0.824 0.000 1.072 399 R CA 0.278 55.627 56.100 -1.253 0.000 1.048 399 R CB 0.708 29.828 30.300 -1.966 0.000 0.983 399 R HN 0.332 nan 8.270 nan 0.000 0.450 400 M N 5.173 124.246 119.600 -0.878 0.000 2.535 400 M HA 0.397 4.877 4.480 0.001 0.000 0.314 400 M C -2.298 173.532 176.300 -0.783 0.000 1.153 400 M CA -2.807 51.930 55.300 -0.938 0.000 0.924 400 M CB 1.785 33.431 32.600 -1.589 0.000 1.710 400 M HN 0.487 nan 8.290 nan 0.000 0.451 401 P HA 0.248 nan 4.420 nan 0.000 0.276 401 P C -1.026 176.194 177.300 -0.134 0.000 1.230 401 P CA -0.162 62.613 63.100 -0.542 0.000 0.776 401 P CB 0.810 31.874 31.700 -1.059 0.000 0.888 402 L N 4.275 125.453 121.223 -0.075 0.000 2.371 402 L HA 0.369 4.710 4.340 0.001 0.000 0.262 402 L C -0.514 176.589 176.870 0.388 0.000 1.054 402 L CA -0.543 54.439 54.840 0.236 0.000 0.924 402 L CB -0.145 42.085 42.059 0.284 0.000 1.295 402 L HN 0.237 nan 8.230 nan 0.000 0.441 403 F N 0.619 120.810 119.950 0.403 0.000 2.522 403 F HA 0.281 4.809 4.527 0.001 0.000 0.324 403 F C 1.406 177.330 175.800 0.207 0.000 1.077 403 F CA -1.204 56.940 58.000 0.240 0.000 0.944 403 F CB 1.391 40.456 39.000 0.109 0.000 1.175 403 F HN 0.305 nan 8.300 nan 0.000 0.468 404 E N 1.068 121.449 120.200 0.302 0.000 2.204 404 E HA -0.271 4.080 4.350 0.001 0.000 0.195 404 E C 1.864 178.555 176.600 0.150 0.000 0.990 404 E CA 1.421 57.929 56.400 0.179 0.000 0.821 404 E CB -0.359 29.396 29.700 0.092 0.000 0.750 404 E HN 0.881 nan 8.360 nan 0.000 0.477 405 H N -1.032 118.028 119.070 -0.016 0.000 2.357 405 H HA -0.216 4.341 4.556 0.001 0.000 0.296 405 H C 1.488 176.734 175.328 -0.137 0.000 1.108 405 H CA 2.504 58.458 56.048 -0.157 0.000 1.273 405 H CB -0.127 29.430 29.762 -0.342 0.000 1.367 405 H HN 0.192 nan 8.280 nan 0.000 0.498 406 Y N -0.518 120.019 120.300 0.395 0.000 2.314 406 Y HA -0.050 4.500 4.550 0.001 0.000 0.294 406 Y C 2.919 178.913 175.900 0.157 0.000 1.119 406 Y CA 1.204 59.471 58.100 0.280 0.000 1.179 406 Y CB -0.684 37.931 38.460 0.258 0.000 1.025 406 Y HN 0.199 nan 8.280 nan 0.000 0.541 407 T N 0.286 115.000 114.554 0.268 0.000 2.720 407 T HA -0.244 4.106 4.350 0.001 0.000 0.268 407 T C 2.009 176.760 174.700 0.086 0.000 1.037 407 T CA 1.669 63.860 62.100 0.153 0.000 1.144 407 T CB -0.278 68.658 68.868 0.114 0.000 0.864 407 T HN 0.254 nan 8.240 nan 0.000 0.444 408 R N 0.897 121.431 120.500 0.057 0.000 2.117 408 R HA -0.138 4.202 4.340 0.001 0.000 0.243 408 R C 2.265 178.568 176.300 0.005 0.000 1.143 408 R CA 1.528 57.633 56.100 0.008 0.000 0.968 408 R CB -0.146 30.135 30.300 -0.032 0.000 0.863 408 R HN 0.526 nan 8.270 nan 0.000 0.444 409 Q N -0.411 119.409 119.800 0.033 0.000 2.435 409 Q HA -0.045 4.295 4.340 0.001 0.000 0.207 409 Q C 1.828 177.839 176.000 0.017 0.000 0.956 409 Q CA 1.119 56.928 55.803 0.009 0.000 0.917 409 Q CB 0.609 29.382 28.738 0.059 0.000 0.997 409 Q HN 0.390 nan 8.270 nan 0.000 0.497 410 V N -2.567 117.385 119.914 0.065 0.000 3.523 410 V HA 0.070 4.191 4.120 0.001 0.000 0.255 410 V C 1.759 177.886 176.094 0.054 0.000 1.226 410 V CA 0.339 62.695 62.300 0.093 0.000 1.092 410 V CB -0.420 31.514 31.823 0.186 0.000 0.817 410 V HN 0.372 nan 8.190 nan 0.000 0.458 411 I N -1.394 119.186 120.570 0.016 0.000 3.419 411 I HA 0.250 4.420 4.170 0.001 0.000 0.286 411 I C 0.849 176.957 176.117 -0.016 0.000 1.268 411 I CA 0.504 61.794 61.300 -0.015 0.000 1.414 411 I CB -0.224 37.751 38.000 -0.042 0.000 1.074 411 I HN 0.147 nan 8.210 nan 0.000 0.457 412 D N 2.723 123.114 120.400 -0.016 0.000 2.359 412 D HA 0.148 4.789 4.640 0.001 0.000 0.250 412 D C -1.099 175.188 176.300 -0.021 0.000 1.264 412 D CA 0.083 54.067 54.000 -0.027 0.000 0.911 412 D CB 0.734 41.506 40.800 -0.046 0.000 1.056 412 D HN 0.319 nan 8.370 nan 0.000 0.499 413 C N 4.551 123.843 119.300 -0.013 0.000 2.535 413 C HA 0.274 4.735 4.460 0.001 0.000 0.319 413 C C 1.286 176.274 174.990 -0.004 0.000 1.171 413 C CA -0.619 58.398 59.018 -0.002 0.000 1.394 413 C CB 1.383 29.131 27.740 0.013 0.000 1.990 413 C HN 0.740 nan 8.230 nan 0.000 0.466 414 Q N 2.542 122.340 119.800 -0.003 0.000 2.050 414 Q HA 0.017 4.357 4.340 0.001 0.000 0.202 414 Q C 1.230 177.230 176.000 0.001 0.000 0.980 414 Q CA 2.302 58.103 55.803 -0.003 0.000 0.840 414 Q CB -0.008 28.729 28.738 -0.002 0.000 0.898 414 Q HN 0.888 nan 8.270 nan 0.000 0.424 415 L N -1.537 119.690 121.223 0.006 0.000 2.575 415 L HA 0.509 4.850 4.340 0.001 0.000 0.228 415 L C 0.693 177.569 176.870 0.010 0.000 1.075 415 L CA 0.068 54.913 54.840 0.008 0.000 0.867 415 L CB 0.347 42.413 42.059 0.012 0.000 1.097 415 L HN 0.146 nan 8.230 nan 0.000 0.485 416 A N -0.742 122.087 122.820 0.015 0.000 2.486 416 A HA 0.402 4.723 4.320 0.001 0.000 0.277 416 A C -0.180 177.406 177.584 0.004 0.000 1.282 416 A CA -0.398 51.648 52.037 0.016 0.000 0.784 416 A CB 0.594 19.616 19.000 0.037 0.000 1.350 416 A HN -0.047 nan 8.150 nan 0.000 0.454 417 D N -0.776 119.621 120.400 -0.005 0.000 2.117 417 D HA 0.055 4.696 4.640 0.001 0.000 0.198 417 D C 0.786 177.059 176.300 -0.045 0.000 0.982 417 D CA 2.454 56.430 54.000 -0.040 0.000 0.828 417 D CB -0.133 40.623 40.800 -0.072 0.000 0.967 417 D HN 0.653 nan 8.370 nan 0.000 0.464 418 V N -1.971 117.940 119.914 -0.004 0.000 2.971 418 V HA 0.480 4.601 4.120 0.001 0.000 0.309 418 V C -0.571 175.619 176.094 0.159 0.000 1.130 418 V CA -1.231 61.085 62.300 0.027 0.000 0.964 418 V CB 2.526 34.283 31.823 -0.111 0.000 1.029 418 V HN -0.138 nan 8.190 nan 0.000 0.427 419 N N 2.928 121.741 118.700 0.189 0.000 2.473 419 N HA 0.254 4.995 4.740 0.001 0.000 0.291 419 N C 0.684 176.369 175.510 0.292 0.000 1.083 419 N CA -0.185 52.977 53.050 0.186 0.000 0.951 419 N CB 1.906 40.445 38.487 0.088 0.000 1.164 419 N HN 0.998 nan 8.380 nan 0.000 0.480 420 N N 3.439 122.235 118.700 0.159 0.000 2.521 420 N HA -0.031 4.710 4.740 0.001 0.000 0.188 420 N C 0.217 175.639 175.510 -0.148 0.000 1.146 420 N CA 0.359 53.349 53.050 -0.100 0.000 0.893 420 N CB -0.152 38.212 38.487 -0.205 0.000 0.975 420 N HN 0.626 nan 8.380 nan 0.000 0.451 421 I N -4.733 115.820 120.570 -0.028 0.000 2.802 421 I HA 0.687 4.858 4.170 0.001 0.000 0.298 421 I C 0.218 176.338 176.117 0.005 0.000 1.176 421 I CA -1.519 59.763 61.300 -0.030 0.000 1.025 421 I CB 1.934 39.914 38.000 -0.034 0.000 1.243 421 I HN -0.167 nan 8.210 nan 0.000 0.424 422 G N 3.135 111.942 108.800 0.011 0.000 2.606 422 G HA2 0.214 4.175 3.960 0.001 0.000 0.252 422 G HA3 0.214 4.175 3.960 0.001 0.000 0.252 422 G C 0.559 175.407 174.900 -0.087 0.000 1.206 422 G CA -0.636 44.464 45.100 0.001 0.000 0.861 422 G HN 0.928 nan 8.290 nan 0.000 0.561 423 K N -0.882 119.373 120.400 -0.242 0.000 2.515 423 K HA 0.010 4.331 4.320 0.001 0.000 0.196 423 K C -0.526 175.725 176.600 -0.581 0.000 1.038 423 K CA 0.760 56.763 56.287 -0.474 0.000 0.967 423 K CB -0.089 31.989 32.500 -0.703 0.000 0.780 423 K HN 0.463 nan 8.250 nan 0.000 0.483 424 Y N -0.805 119.528 120.300 0.054 0.000 2.644 424 Y HA 0.361 4.912 4.550 0.001 0.000 0.338 424 Y C 0.864 176.798 175.900 0.057 0.000 1.119 424 Y CA -1.595 56.538 58.100 0.054 0.000 1.060 424 Y CB 1.152 39.651 38.460 0.065 0.000 1.294 424 Y HN -0.379 nan 8.280 nan 0.000 0.472 425 R N 0.010 120.651 120.500 0.235 0.000 2.200 425 R HA 0.184 4.525 4.340 0.001 0.000 0.208 425 R C 0.083 176.468 176.300 0.142 0.000 1.033 425 R CA 0.432 56.616 56.100 0.140 0.000 1.000 425 R CB 0.045 30.404 30.300 0.099 0.000 0.906 425 R HN 0.632 nan 8.270 nan 0.000 0.462 426 S N 0.651 116.458 115.700 0.179 0.000 2.558 426 S HA 0.196 4.667 4.470 0.001 0.000 0.288 426 S C 0.570 175.286 174.600 0.192 0.000 1.318 426 S CA 0.343 58.642 58.200 0.165 0.000 1.056 426 S CB 0.973 64.275 63.200 0.169 0.000 0.853 426 S HN 0.496 nan 8.310 nan 0.000 0.505 427 A N 1.660 124.570 122.820 0.150 0.000 2.745 427 A HA -0.177 4.144 4.320 0.001 0.000 0.296 427 A C 1.663 179.272 177.584 0.042 0.000 1.500 427 A CA 0.988 53.084 52.037 0.099 0.000 0.766 427 A CB -2.104 17.010 19.000 0.190 0.000 1.030 427 A HN 1.346 nan 8.150 nan 0.000 0.489 428 G N -0.570 108.261 108.800 0.052 0.000 2.505 428 G HA2 -0.006 3.955 3.960 0.001 0.000 0.220 428 G HA3 -0.006 3.955 3.960 0.001 0.000 0.220 428 G C 1.714 176.612 174.900 -0.005 0.000 1.145 428 G CA 2.037 47.155 45.100 0.030 0.000 0.761 428 G HN 1.932 nan 8.290 nan 0.000 0.571 429 A N -0.420 122.409 122.820 0.013 0.000 1.969 429 A HA 0.010 4.331 4.320 0.001 0.000 0.218 429 A C 2.554 180.064 177.584 -0.123 0.000 1.169 429 A CA 1.706 53.766 52.037 0.038 0.000 0.635 429 A CB -0.710 18.405 19.000 0.190 0.000 0.810 429 A HN 0.446 nan 8.150 nan 0.000 0.445 430 C N -0.488 118.713 119.300 -0.166 0.000 2.457 430 C HA -0.046 4.414 4.460 0.001 0.000 0.278 430 C C 3.170 177.953 174.990 -0.344 0.000 1.309 430 C CA 1.443 60.190 59.018 -0.451 0.000 1.735 430 C CB -1.349 25.729 27.740 -1.103 0.000 1.992 430 C HN 0.789 nan 8.230 nan 0.000 0.493 431 T N 0.199 114.675 114.554 -0.130 0.000 2.904 431 T HA -0.009 4.341 4.350 0.001 0.000 0.267 431 T C 1.940 176.656 174.700 0.026 0.000 1.059 431 T CA 1.431 63.566 62.100 0.058 0.000 1.137 431 T CB -0.416 68.530 68.868 0.129 0.000 0.879 431 T HN 0.479 nan 8.240 nan 0.000 0.467 432 A N 1.980 124.762 122.820 -0.064 0.000 1.902 432 A HA 0.326 4.646 4.320 0.001 0.000 0.217 432 A C 2.816 180.338 177.584 -0.103 0.000 1.181 432 A CA 1.816 53.807 52.037 -0.077 0.000 0.623 432 A CB -1.388 17.549 19.000 -0.105 0.000 0.818 432 A HN 0.723 nan 8.150 nan 0.000 0.443 433 A N -0.162 122.472 122.820 -0.310 0.000 1.902 433 A HA 0.180 4.501 4.320 0.001 0.000 0.217 433 A C 2.489 180.071 177.584 -0.003 0.000 1.181 433 A CA 1.992 53.806 52.037 -0.371 0.000 0.623 433 A CB -0.977 17.342 19.000 -1.134 0.000 0.818 433 A HN 1.058 nan 8.150 nan 0.000 0.443 434 A N -1.176 121.663 122.820 0.032 0.000 1.933 434 A HA -0.057 4.264 4.320 0.001 0.000 0.218 434 A C 2.026 179.704 177.584 0.157 0.000 1.175 434 A CA 1.600 53.727 52.037 0.150 0.000 0.628 434 A CB -0.701 18.422 19.000 0.205 0.000 0.814 434 A HN 0.678 nan 8.150 nan 0.000 0.444 435 F N 0.738 120.712 119.950 0.040 0.000 2.102 435 F HA -0.149 4.378 4.527 0.001 0.000 0.298 435 F C 1.932 177.828 175.800 0.161 0.000 1.105 435 F CA 1.790 59.844 58.000 0.090 0.000 1.239 435 F CB -0.307 38.734 39.000 0.068 0.000 0.991 435 F HN 0.143 nan 8.300 nan 0.000 0.474 436 L N 0.303 121.754 121.223 0.380 0.000 2.042 436 L HA -0.271 4.070 4.340 0.001 0.000 0.210 436 L C 2.525 179.387 176.870 -0.014 0.000 1.076 436 L CA 1.886 56.879 54.840 0.255 0.000 0.749 436 L CB -0.876 41.302 42.059 0.199 0.000 0.893 436 L HN 0.150 nan 8.230 nan 0.000 0.432 437 K N 0.120 120.487 120.400 -0.055 0.000 2.211 437 K HA -0.178 4.142 4.320 0.001 0.000 0.204 437 K C 1.738 178.179 176.600 -0.264 0.000 1.047 437 K CA 1.011 57.149 56.287 -0.249 0.000 0.935 437 K CB 0.141 32.681 32.500 0.066 0.000 0.728 437 K HN 0.203 nan 8.250 nan 0.000 0.452 438 E N -0.392 119.633 120.200 -0.292 0.000 2.516 438 E HA -0.122 4.229 4.350 0.001 0.000 0.199 438 E C 0.244 176.313 176.600 -0.885 0.000 1.069 438 E CA 0.741 56.801 56.400 -0.566 0.000 0.876 438 E CB 0.095 29.362 29.700 -0.721 0.000 0.843 438 E HN 0.347 nan 8.360 nan 0.000 0.530 439 F N -0.545 119.223 119.950 -0.304 0.000 2.698 439 F HA 0.178 4.706 4.527 0.001 0.000 0.304 439 F C 0.098 175.727 175.800 -0.285 0.000 1.108 439 F CA -0.256 57.587 58.000 -0.262 0.000 1.263 439 F CB 1.020 39.903 39.000 -0.194 0.000 1.013 439 F HN -0.329 nan 8.300 nan 0.000 0.532 440 V N 0.329 120.088 119.914 -0.259 0.000 2.623 440 V HA 0.276 4.396 4.120 0.001 0.000 0.304 440 V C 0.531 176.566 176.094 -0.097 0.000 1.054 440 V CA -0.375 61.801 62.300 -0.207 0.000 0.882 440 V CB 1.881 33.284 31.823 -0.700 0.000 1.002 440 V HN 0.287 nan 8.190 nan 0.000 0.424 441 T N -1.135 113.481 114.554 0.102 0.000 3.040 441 T HA 0.163 4.514 4.350 0.001 0.000 0.266 441 T C 0.592 175.414 174.700 0.202 0.000 1.005 441 T CA 0.043 62.190 62.100 0.079 0.000 0.906 441 T CB -0.124 68.729 68.868 -0.025 0.000 1.082 441 T HN 0.610 nan 8.240 nan 0.000 0.531 442 H N 3.557 122.779 119.070 0.253 0.000 2.815 442 H HA 0.156 4.713 4.556 0.001 0.000 0.350 442 H C -1.458 173.967 175.328 0.162 0.000 1.080 442 H CA -1.005 55.133 56.048 0.150 0.000 1.433 442 H CB 1.774 31.552 29.762 0.027 0.000 1.432 442 H HN 0.074 nan 8.280 nan 0.000 0.592 443 P HA 0.006 nan 4.420 nan 0.000 0.231 443 P C -0.404 177.062 177.300 0.277 0.000 1.168 443 P CA 0.897 64.056 63.100 0.098 0.000 0.779 443 P CB 0.593 32.267 31.700 -0.043 0.000 0.844 444 K N -0.232 120.490 120.400 0.537 0.000 2.753 444 K HA 0.202 4.522 4.320 0.001 0.000 0.185 444 K C -1.443 175.425 176.600 0.447 0.000 1.071 444 K CA -0.488 56.089 56.287 0.482 0.000 0.999 444 K CB 0.412 33.174 32.500 0.435 0.000 1.244 444 K HN 0.006 nan 8.250 nan 0.000 0.594 445 W N 1.893 123.314 121.300 0.202 0.000 2.632 445 W HA 0.623 5.284 4.660 0.001 0.000 0.328 445 W C -1.576 175.008 176.519 0.107 0.000 1.044 445 W CA -0.547 56.851 57.345 0.089 0.000 1.225 445 W CB 1.370 30.901 29.460 0.118 0.000 1.396 445 W HN 0.344 nan 8.180 nan 0.000 0.499 446 A N 4.451 126.904 122.820 -0.611 0.000 2.374 446 A HA 0.524 4.845 4.320 0.001 0.000 0.305 446 A C -2.104 175.042 177.584 -0.731 0.000 1.053 446 A CA -0.633 51.007 52.037 -0.661 0.000 0.726 446 A CB 0.997 19.813 19.000 -0.307 0.000 1.229 446 A HN 0.812 nan 8.150 nan 0.000 0.431 447 H N 2.238 120.850 119.070 -0.764 0.000 2.511 447 H HA 0.671 5.228 4.556 0.001 0.000 0.328 447 H C -1.807 173.480 175.328 -0.068 0.000 1.044 447 H CA -0.858 54.988 56.048 -0.337 0.000 1.212 447 H CB 0.868 30.468 29.762 -0.272 0.000 1.428 447 H HN 0.383 nan 8.280 nan 0.000 0.483 448 L N 5.300 126.323 121.223 -0.333 0.000 2.276 448 L HA 0.224 4.565 4.340 0.001 0.000 0.286 448 L C -0.159 176.512 176.870 -0.331 0.000 1.024 448 L CA -0.332 54.331 54.840 -0.294 0.000 0.826 448 L CB 1.191 43.188 42.059 -0.103 0.000 1.211 448 L HN 0.718 nan 8.230 nan 0.000 0.422 449 D N 3.986 124.184 120.400 -0.337 0.000 2.380 449 D HA 0.186 4.827 4.640 0.001 0.000 0.230 449 D C 0.855 177.141 176.300 -0.024 0.000 1.154 449 D CA -0.220 53.723 54.000 -0.095 0.000 0.859 449 D CB 0.875 41.707 40.800 0.055 0.000 1.045 449 D HN 0.545 nan 8.370 nan 0.000 0.495 450 I N 0.879 121.447 120.570 -0.003 0.000 3.861 450 I HA 0.305 4.476 4.170 0.001 0.000 0.329 450 I C 1.586 177.705 176.117 0.004 0.000 1.321 450 I CA -0.463 60.838 61.300 0.001 0.000 1.126 450 I CB 0.427 38.428 38.000 0.002 0.000 1.018 450 I HN 0.195 nan 8.210 nan 0.000 0.407 451 A N 2.130 124.955 122.820 0.009 0.000 1.917 451 A HA -0.113 4.208 4.320 0.001 0.000 0.219 451 A C 2.321 179.903 177.584 -0.003 0.000 1.182 451 A CA 2.058 54.096 52.037 0.001 0.000 0.633 451 A CB -1.403 17.601 19.000 0.006 0.000 0.819 451 A HN 0.564 nan 8.150 nan 0.000 0.448 452 G N -0.814 107.985 108.800 -0.001 0.000 2.484 452 G HA2 0.058 4.018 3.960 0.001 0.000 0.218 452 G HA3 0.058 4.018 3.960 0.001 0.000 0.218 452 G C 1.137 176.032 174.900 -0.008 0.000 1.130 452 G CA 1.315 46.410 45.100 -0.008 0.000 0.784 452 G HN 1.139 nan 8.290 nan 0.000 0.543 453 V N -2.453 117.459 119.914 -0.003 0.000 3.271 453 V HA 0.420 4.541 4.120 0.001 0.000 0.327 453 V C 1.913 178.004 176.094 -0.004 0.000 1.389 453 V CA 0.177 62.475 62.300 -0.002 0.000 1.156 453 V CB 0.173 32.001 31.823 0.008 0.000 1.103 453 V HN 0.245 nan 8.190 nan 0.000 0.453 454 M N 2.017 121.613 119.600 -0.006 0.000 2.117 454 M HA 0.000 4.481 4.480 0.001 0.000 0.262 454 M C 1.240 177.537 176.300 -0.005 0.000 1.065 454 M CA 2.222 57.517 55.300 -0.007 0.000 1.114 454 M CB 0.172 32.766 32.600 -0.011 0.000 1.361 454 M HN 0.805 nan 8.290 nan 0.000 0.408 455 T N -2.127 112.424 114.554 -0.004 0.000 2.926 455 T HA 0.396 4.746 4.350 0.001 0.000 0.289 455 T C -0.711 173.986 174.700 -0.005 0.000 1.054 455 T CA -1.007 61.093 62.100 0.001 0.000 1.015 455 T CB 1.943 70.815 68.868 0.005 0.000 1.167 455 T HN 0.272 nan 8.240 nan 0.000 0.526 456 N N -0.106 118.593 118.700 -0.003 0.000 2.249 456 N HA 0.350 5.090 4.740 0.001 0.000 0.296 456 N C -0.113 175.394 175.510 -0.005 0.000 1.051 456 N CA -0.630 52.411 53.050 -0.014 0.000 0.815 456 N CB 2.449 40.919 38.487 -0.029 0.000 1.487 456 N HN 0.668 nan 8.380 nan 0.000 0.475 457 K N 0.624 121.018 120.400 -0.010 0.000 2.323 457 K HA 0.091 4.412 4.320 0.001 0.000 0.232 457 K C 0.077 176.671 176.600 -0.010 0.000 1.068 457 K CA 0.577 56.861 56.287 -0.004 0.000 0.892 457 K CB 0.254 32.752 32.500 -0.004 0.000 1.207 457 K HN 0.587 nan 8.250 nan 0.000 0.456 458 D N -0.320 120.070 120.400 -0.016 0.000 2.497 458 D HA 0.012 4.653 4.640 0.001 0.000 0.256 458 D C 0.817 177.099 176.300 -0.030 0.000 1.273 458 D CA 0.051 54.039 54.000 -0.020 0.000 0.812 458 D CB 0.054 40.848 40.800 -0.009 0.000 1.190 458 D HN -0.008 nan 8.370 nan 0.000 0.524 459 E N 0.568 120.749 120.200 -0.032 0.000 2.038 459 E HA -0.041 4.309 4.350 0.001 0.000 0.195 459 E C 0.507 177.077 176.600 -0.050 0.000 1.000 459 E CA 1.060 57.445 56.400 -0.026 0.000 0.803 459 E CB 0.044 29.732 29.700 -0.021 0.000 0.750 459 E HN 0.110 nan 8.360 nan 0.000 0.448 460 V N 2.842 122.680 119.914 -0.127 0.000 2.353 460 V HA 0.066 4.187 4.120 0.001 0.000 0.264 460 V C -1.751 174.153 176.094 -0.316 0.000 1.049 460 V CA -1.124 60.995 62.300 -0.302 0.000 0.896 460 V CB 1.174 32.737 31.823 -0.433 0.000 1.025 460 V HN 0.080 nan 8.190 nan 0.000 0.475 461 P HA -0.165 nan 4.420 nan 0.000 0.216 461 P C 0.953 178.237 177.300 -0.026 0.000 1.150 461 P CA 1.434 64.489 63.100 -0.075 0.000 0.843 461 P CB -0.037 31.677 31.700 0.024 0.000 0.787 462 Y N -2.373 117.920 120.300 -0.012 0.000 2.462 462 Y HA 0.426 4.977 4.550 0.001 0.000 0.293 462 Y C 0.242 176.147 175.900 0.009 0.000 1.195 462 Y CA -0.661 57.432 58.100 -0.012 0.000 1.276 462 Y CB -0.941 37.497 38.460 -0.036 0.000 1.082 462 Y HN -0.194 nan 8.280 nan 0.000 0.514 463 L N 1.928 123.112 121.223 -0.065 0.000 2.356 463 L HA 0.510 4.851 4.340 0.001 0.000 0.277 463 L C 0.039 176.919 176.870 0.016 0.000 0.996 463 L CA -0.975 53.863 54.840 -0.003 0.000 0.822 463 L CB 1.977 43.991 42.059 -0.075 0.000 1.256 463 L HN 0.089 nan 8.230 nan 0.000 0.413 464 R N 1.425 121.964 120.500 0.065 0.000 2.726 464 R HA 0.160 4.501 4.340 0.001 0.000 0.272 464 R C 0.155 176.483 176.300 0.046 0.000 1.097 464 R CA -0.585 55.547 56.100 0.052 0.000 1.198 464 R CB 0.562 30.899 30.300 0.062 0.000 1.114 464 R HN 0.428 nan 8.270 nan 0.000 0.550 465 K N 0.795 121.216 120.400 0.035 0.000 2.472 465 K HA 0.104 4.425 4.320 0.001 0.000 0.280 465 K C -0.092 176.541 176.600 0.054 0.000 1.028 465 K CA 0.861 57.167 56.287 0.033 0.000 1.045 465 K CB 0.133 32.648 32.500 0.026 0.000 0.902 465 K HN 0.781 nan 8.250 nan 0.000 0.478 466 G N 2.734 111.564 108.800 0.051 0.000 2.350 466 G HA2 0.012 3.973 3.960 0.001 0.000 0.282 466 G HA3 0.012 3.973 3.960 0.001 0.000 0.282 466 G C -1.165 173.766 174.900 0.053 0.000 1.314 466 G CA -1.005 44.136 45.100 0.067 0.000 0.915 466 G HN 0.420 nan 8.290 nan 0.000 0.499 467 M N 1.033 120.666 119.600 0.055 0.000 2.248 467 M HA 0.410 4.891 4.480 0.001 0.000 0.345 467 M C 1.590 177.902 176.300 0.020 0.000 1.243 467 M CA 0.526 55.842 55.300 0.027 0.000 1.090 467 M CB 0.499 33.106 32.600 0.012 0.000 1.683 467 M HN 1.141 nan 8.290 nan 0.000 0.450 468 A N 2.542 125.362 122.820 0.000 0.000 2.044 468 A HA 0.384 4.705 4.320 0.001 0.000 0.213 468 A C 1.460 179.027 177.584 -0.028 0.000 1.169 468 A CA 0.837 52.867 52.037 -0.011 0.000 0.724 468 A CB -0.444 18.547 19.000 -0.014 0.000 0.840 468 A HN 1.165 nan 8.150 nan 0.000 0.463 469 G N -0.331 108.449 108.800 -0.033 0.000 2.198 469 G HA2 -0.281 3.680 3.960 0.001 0.000 0.260 469 G HA3 -0.281 3.680 3.960 0.001 0.000 0.260 469 G C 0.197 175.080 174.900 -0.028 0.000 1.025 469 G CA 0.515 45.588 45.100 -0.046 0.000 0.769 469 G HN 0.666 nan 8.290 nan 0.000 0.507 470 R N 0.247 120.740 120.500 -0.011 0.000 2.457 470 R HA 0.501 4.842 4.340 0.001 0.000 0.284 470 R C -2.155 174.148 176.300 0.005 0.000 1.024 470 R CA -1.586 54.518 56.100 0.006 0.000 1.025 470 R CB 1.484 31.793 30.300 0.016 0.000 1.063 470 R HN 0.108 nan 8.270 nan 0.000 0.493 471 P HA 0.153 nan 4.420 nan 0.000 0.209 471 P C -0.084 177.220 177.300 0.007 0.000 1.872 471 P CA -0.314 62.801 63.100 0.025 0.000 1.020 471 P CB 0.809 32.531 31.700 0.037 0.000 1.813 472 T N 0.642 115.185 114.554 -0.017 0.000 2.624 472 T HA -0.203 4.148 4.350 0.001 0.000 0.268 472 T C 1.836 176.496 174.700 -0.067 0.000 1.041 472 T CA 1.549 63.614 62.100 -0.060 0.000 1.159 472 T CB -0.275 68.543 68.868 -0.084 0.000 0.863 472 T HN 0.331 nan 8.240 nan 0.000 0.434 473 R N 0.413 120.904 120.500 -0.013 0.000 2.127 473 R HA -0.065 4.276 4.340 0.001 0.000 0.238 473 R C 2.742 179.093 176.300 0.084 0.000 1.134 473 R CA 1.569 57.693 56.100 0.041 0.000 0.975 473 R CB -0.647 29.753 30.300 0.166 0.000 0.865 473 R HN 0.348 nan 8.270 nan 0.000 0.447 474 T N 1.453 116.054 114.554 0.079 0.000 2.821 474 T HA -0.045 4.306 4.350 0.001 0.000 0.267 474 T C 1.842 176.610 174.700 0.112 0.000 1.046 474 T CA 0.900 63.059 62.100 0.098 0.000 1.139 474 T CB -0.044 68.866 68.868 0.070 0.000 0.871 474 T HN 0.138 nan 8.240 nan 0.000 0.454 475 L N 0.199 121.456 121.223 0.057 0.000 2.056 475 L HA 0.011 4.352 4.340 0.001 0.000 0.207 475 L C 2.413 179.331 176.870 0.079 0.000 1.078 475 L CA 1.123 56.012 54.840 0.082 0.000 0.749 475 L CB -0.559 41.480 42.059 -0.033 0.000 0.901 475 L HN 0.261 nan 8.230 nan 0.000 0.433 476 I N -0.115 120.402 120.570 -0.089 0.000 2.179 476 I HA -0.282 3.889 4.170 0.001 0.000 0.242 476 I C 2.620 178.727 176.117 -0.017 0.000 1.088 476 I CA 1.226 62.384 61.300 -0.236 0.000 1.357 476 I CB -0.216 37.350 38.000 -0.724 0.000 1.051 476 I HN 0.254 nan 8.210 nan 0.000 0.409 477 E N 1.272 121.567 120.200 0.158 0.000 2.077 477 E HA -0.280 4.071 4.350 0.001 0.000 0.193 477 E C 2.031 178.822 176.600 0.318 0.000 0.989 477 E CA 1.508 58.128 56.400 0.366 0.000 0.800 477 E CB -0.438 29.471 29.700 0.348 0.000 0.746 477 E HN 0.421 nan 8.360 nan 0.000 0.452 478 F N 0.607 120.636 119.950 0.133 0.000 2.095 478 F HA -0.165 4.362 4.527 0.001 0.000 0.298 478 F C 1.769 177.675 175.800 0.176 0.000 1.104 478 F CA 1.603 59.673 58.000 0.118 0.000 1.232 478 F CB -0.281 38.773 39.000 0.090 0.000 0.987 478 F HN 0.056 nan 8.300 nan 0.000 0.475 479 L N -0.907 120.397 121.223 0.136 0.000 2.046 479 L HA -0.188 4.153 4.340 0.001 0.000 0.208 479 L C 2.455 179.370 176.870 0.075 0.000 1.077 479 L CA 1.472 56.343 54.840 0.052 0.000 0.747 479 L CB -0.978 41.154 42.059 0.123 0.000 0.896 479 L HN 0.295 nan 8.230 nan 0.000 0.432 480 F N 1.136 121.103 119.950 0.028 0.000 2.069 480 F HA -0.217 4.311 4.527 0.001 0.000 0.298 480 F C 2.686 178.508 175.800 0.036 0.000 1.113 480 F CA 1.550 59.586 58.000 0.058 0.000 1.214 480 F CB -0.316 38.759 39.000 0.124 0.000 0.978 480 F HN -0.152 nan 8.300 nan 0.000 0.474 481 R N -0.911 119.403 120.500 -0.310 0.000 2.081 481 R HA -0.180 4.161 4.340 0.001 0.000 0.235 481 R C 2.299 178.401 176.300 -0.330 0.000 1.131 481 R CA 1.773 57.621 56.100 -0.420 0.000 0.960 481 R CB -1.015 29.192 30.300 -0.155 0.000 0.856 481 R HN 0.408 nan 8.270 nan 0.000 0.436 482 F N 1.821 121.524 119.950 -0.412 0.000 2.126 482 F HA -0.238 4.290 4.527 0.001 0.000 0.299 482 F C 2.481 178.157 175.800 -0.207 0.000 1.096 482 F CA 1.815 59.614 58.000 -0.334 0.000 1.255 482 F CB -0.261 38.443 39.000 -0.494 0.000 0.997 482 F HN -0.001 nan 8.300 nan 0.000 0.479 483 S N -0.654 115.047 115.700 0.002 0.000 2.474 483 S HA -0.071 4.399 4.470 0.001 0.000 0.235 483 S C 0.996 175.504 174.600 -0.155 0.000 0.997 483 S CA 0.130 58.325 58.200 -0.008 0.000 0.949 483 S CB -0.399 62.835 63.200 0.057 0.000 0.766 483 S HN 0.347 nan 8.310 nan 0.000 0.517 484 Q N 0.000 119.621 119.800 -0.298 0.000 2.315 484 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 484 Q CA 0.000 55.636 55.803 -0.278 0.000 1.022 484 Q CB 0.000 28.484 28.738 -0.423 0.000 1.108 484 Q HN 0.000 nan 8.270 nan 0.000 0.481