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 1kh1_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIVLAYSGG LDTSIILKWL KETYRAEVIA FTADIGQGEE VEEAREKALR DATA SEQUENCE TGASKAIALD LKEEFVRDFV FPMMRAGAVY EGYYLLGTSI ARPLIAKHLV DATA SEQUENCE RIAEEEGAEA IAHGATGKGN DQVRFELTAY ALKPDIKVIA PWREWSFQGR DATA SEQUENCE KEMIAYAEAH GIPVPXXXXX PYSMDANLLH ISYEGGVLED PWAEPPKGMF DATA SEQUENCE RMTQDPEEAP DAPEYVEVEF FEGDPVAVNG ERLSPAALLQ RLNEIGGRHG DATA SEQUENCE VGRVDIVENR FVGMKSRGVY ETPGGTILYH ARRAVESLTL DREVLHQRDM DATA SEQUENCE LSPKYAELVY YGFWYAPERE ALQAYFDHVA RSVTGVARLK LYKGNVYVVG DATA SEQUENCE RKAPKSLYRQ DXXXXXXXXG YDQKDAEGFI KIQALRLRVR ALVER 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 K N 4.850 125.244 120.400 -0.010 0.000 2.270 2 K HA 0.787 5.108 4.320 0.002 0.000 0.255 2 K C -1.362 175.215 176.600 -0.039 0.000 0.936 2 K CA -0.637 55.639 56.287 -0.018 0.000 0.809 2 K CB 2.370 34.861 32.500 -0.015 0.000 1.131 2 K HN 0.581 nan 8.250 nan 0.000 0.427 3 I N 2.576 123.121 120.570 -0.042 0.000 2.478 3 I HA 0.196 4.367 4.170 0.002 0.000 0.287 3 I C -0.617 175.478 176.117 -0.037 0.000 1.042 3 I CA -1.205 60.055 61.300 -0.065 0.000 1.067 3 I CB 2.035 39.976 38.000 -0.099 0.000 1.233 3 I HN 0.203 nan 8.210 nan 0.000 0.431 4 V N 6.689 126.579 119.914 -0.039 0.000 2.432 4 V HA 0.250 4.371 4.120 0.002 0.000 0.271 4 V C -0.119 175.978 176.094 0.005 0.000 1.046 4 V CA -0.409 61.885 62.300 -0.010 0.000 0.945 4 V CB 1.264 33.069 31.823 -0.031 0.000 0.992 4 V HN 0.409 nan 8.190 nan 0.000 0.471 5 L N 5.330 126.586 121.223 0.055 0.000 2.317 5 L HA 0.813 5.155 4.340 0.002 0.000 0.281 5 L C 0.485 177.450 176.870 0.158 0.000 1.024 5 L CA -0.394 54.491 54.840 0.075 0.000 0.810 5 L CB 1.468 43.583 42.059 0.093 0.000 1.240 5 L HN 0.680 nan 8.230 nan 0.000 0.427 6 A N 4.906 127.785 122.820 0.099 0.000 2.544 6 A HA 0.241 4.562 4.320 0.002 0.000 0.301 6 A C -1.114 176.535 177.584 0.108 0.000 1.368 6 A CA -0.087 52.021 52.037 0.118 0.000 1.045 6 A CB -0.988 17.983 19.000 -0.048 0.000 1.129 6 A HN 0.666 nan 8.150 nan 0.000 0.540 7 Y N 3.060 123.356 120.300 -0.007 0.000 2.328 7 Y HA 0.380 4.931 4.550 0.002 0.000 0.337 7 Y C 1.184 177.048 175.900 -0.060 0.000 1.008 7 Y CA -0.104 57.986 58.100 -0.017 0.000 1.129 7 Y CB 1.700 40.162 38.460 0.003 0.000 1.185 7 Y HN 0.606 nan 8.280 nan 0.000 0.476 8 S N 2.235 117.577 115.700 -0.597 0.000 2.523 8 S HA 0.302 4.773 4.470 0.002 0.000 0.217 8 S C 1.384 175.642 174.600 -0.571 0.000 0.996 8 S CA 0.249 58.180 58.200 -0.448 0.000 0.921 8 S CB 0.203 63.243 63.200 -0.267 0.000 0.829 8 S HN 1.555 nan 8.310 nan 0.000 0.495 9 G N 0.616 108.704 108.800 -1.187 0.000 2.195 9 G HA2 -0.122 3.839 3.960 0.002 0.000 0.246 9 G HA3 -0.122 3.839 3.960 0.002 0.000 0.246 9 G C 0.534 175.251 174.900 -0.306 0.000 0.984 9 G CA -0.097 44.631 45.100 -0.621 0.000 0.633 9 G HN 1.066 nan 8.290 nan 0.000 0.525 10 G N -0.756 107.858 108.800 -0.309 0.000 2.621 10 G HA2 0.555 4.516 3.960 0.002 0.000 0.271 10 G HA3 0.555 4.516 3.960 0.002 0.000 0.271 10 G C 1.195 176.066 174.900 -0.049 0.000 1.236 10 G CA 0.169 45.191 45.100 -0.130 0.000 0.958 10 G HN 0.888 nan 8.290 nan 0.000 0.512 11 L N -0.394 120.828 121.223 -0.002 0.000 1.989 11 L HA -0.074 4.267 4.340 0.002 0.000 0.211 11 L C 2.277 179.189 176.870 0.069 0.000 1.071 11 L CA 2.471 57.332 54.840 0.034 0.000 0.749 11 L CB -0.604 41.467 42.059 0.019 0.000 0.890 11 L HN 0.512 nan 8.230 nan 0.000 0.431 12 D N -0.831 119.627 120.400 0.098 0.000 2.104 12 D HA -0.175 4.466 4.640 0.002 0.000 0.194 12 D C 2.196 178.613 176.300 0.195 0.000 0.994 12 D CA 2.090 56.202 54.000 0.186 0.000 0.830 12 D CB -0.577 40.436 40.800 0.355 0.000 0.959 12 D HN 0.583 nan 8.370 nan 0.000 0.452 13 T N -1.994 112.639 114.554 0.131 0.000 2.962 13 T HA -0.022 4.329 4.350 0.002 0.000 0.270 13 T C 2.102 176.996 174.700 0.324 0.000 1.088 13 T CA 1.049 63.244 62.100 0.157 0.000 1.127 13 T CB -0.159 68.695 68.868 -0.022 0.000 0.883 13 T HN -0.102 nan 8.240 nan 0.000 0.493 14 S N 1.246 117.128 115.700 0.303 0.000 2.357 14 S HA 0.175 4.647 4.470 0.002 0.000 0.221 14 S C 1.948 176.714 174.600 0.276 0.000 1.031 14 S CA 0.697 59.136 58.200 0.398 0.000 0.982 14 S CB -0.400 62.970 63.200 0.282 0.000 0.853 14 S HN 0.454 nan 8.310 nan 0.000 0.458 15 I N 1.383 122.087 120.570 0.224 0.000 2.208 15 I HA -0.198 3.973 4.170 0.002 0.000 0.245 15 I C 2.000 178.311 176.117 0.323 0.000 1.097 15 I CA 1.248 62.691 61.300 0.238 0.000 1.363 15 I CB -0.319 37.717 38.000 0.060 0.000 1.051 15 I HN 0.261 nan 8.210 nan 0.000 0.413 16 I N 0.274 121.031 120.570 0.311 0.000 2.286 16 I HA -0.315 3.856 4.170 0.002 0.000 0.248 16 I C 2.521 178.856 176.117 0.364 0.000 1.115 16 I CA 1.260 62.769 61.300 0.347 0.000 1.392 16 I CB -0.158 37.956 38.000 0.191 0.000 1.065 16 I HN 0.278 nan 8.210 nan 0.000 0.418 17 L N 0.593 121.990 121.223 0.290 0.000 2.017 17 L HA -0.241 4.100 4.340 0.002 0.000 0.208 17 L C 2.664 179.664 176.870 0.217 0.000 1.073 17 L CA 1.570 56.535 54.840 0.208 0.000 0.745 17 L CB -0.280 41.851 42.059 0.118 0.000 0.894 17 L HN 0.132 nan 8.230 nan 0.000 0.432 18 K N -0.772 119.779 120.400 0.251 0.000 2.025 18 K HA -0.252 4.069 4.320 0.002 0.000 0.207 18 K C 1.741 178.529 176.600 0.312 0.000 1.049 18 K CA 1.815 58.248 56.287 0.243 0.000 0.933 18 K CB -0.791 31.814 32.500 0.174 0.000 0.714 18 K HN 0.492 nan 8.250 nan 0.000 0.438 19 W N 2.022 123.446 121.300 0.208 0.000 2.342 19 W HA -0.159 4.502 4.660 0.002 0.000 0.297 19 W C 1.758 178.380 176.519 0.172 0.000 1.213 19 W CA 1.289 58.737 57.345 0.173 0.000 1.251 19 W CB -0.251 29.309 29.460 0.166 0.000 1.136 19 W HN -0.046 nan 8.180 nan 0.000 0.526 20 L N 0.600 122.061 121.223 0.396 0.000 2.017 20 L HA -0.250 4.091 4.340 0.002 0.000 0.208 20 L C 2.676 179.603 176.870 0.095 0.000 1.073 20 L CA 1.602 56.591 54.840 0.247 0.000 0.745 20 L CB -0.913 41.289 42.059 0.239 0.000 0.894 20 L HN -0.095 nan 8.230 nan 0.000 0.432 21 K N -0.036 120.417 120.400 0.088 0.000 2.032 21 K HA -0.268 4.053 4.320 0.002 0.000 0.209 21 K C 2.002 178.602 176.600 -0.001 0.000 1.048 21 K CA 1.921 58.239 56.287 0.050 0.000 0.927 21 K CB -0.209 32.328 32.500 0.062 0.000 0.712 21 K HN 0.376 nan 8.250 nan 0.000 0.441 22 E N 0.464 120.644 120.200 -0.033 0.000 2.076 22 E HA -0.105 4.246 4.350 0.002 0.000 0.190 22 E C 1.758 178.217 176.600 -0.234 0.000 0.979 22 E CA 1.267 57.614 56.400 -0.090 0.000 0.807 22 E CB 0.150 29.832 29.700 -0.029 0.000 0.761 22 E HN 0.130 nan 8.360 nan 0.000 0.454 23 T N -0.319 113.962 114.554 -0.456 0.000 2.746 23 T HA -0.147 4.204 4.350 0.002 0.000 0.267 23 T C 0.931 175.258 174.700 -0.623 0.000 1.039 23 T CA 1.383 63.051 62.100 -0.719 0.000 1.142 23 T CB -0.277 67.717 68.868 -1.456 0.000 0.866 23 T HN 0.291 nan 8.240 nan 0.000 0.444 24 Y N 0.470 120.592 120.300 -0.297 0.000 2.458 24 Y HA 0.363 4.914 4.550 0.002 0.000 0.256 24 Y C 0.776 176.612 175.900 -0.107 0.000 1.159 24 Y CA -0.589 57.411 58.100 -0.167 0.000 1.261 24 Y CB 0.003 38.390 38.460 -0.123 0.000 1.119 24 Y HN 0.009 nan 8.280 nan 0.000 0.524 25 R N -0.281 120.213 120.500 -0.012 0.000 3.333 25 R HA -0.157 4.184 4.340 0.002 0.000 0.256 25 R C -0.306 176.009 176.300 0.025 0.000 1.010 25 R CA 0.479 56.574 56.100 -0.008 0.000 0.680 25 R CB -1.936 28.347 30.300 -0.028 0.000 1.102 25 R HN 0.267 nan 8.270 nan 0.000 0.440 26 A N 0.574 123.420 122.820 0.043 0.000 2.486 26 A HA 0.642 4.963 4.320 0.002 0.000 0.289 26 A C -0.387 177.211 177.584 0.023 0.000 1.176 26 A CA -0.893 51.165 52.037 0.035 0.000 0.757 26 A CB 1.154 20.181 19.000 0.044 0.000 1.337 26 A HN 0.329 nan 8.150 nan 0.000 0.423 27 E N 0.078 120.285 120.200 0.012 0.000 2.214 27 E HA 0.618 4.969 4.350 0.002 0.000 0.274 27 E C -1.266 175.335 176.600 0.002 0.000 0.977 27 E CA -0.775 55.629 56.400 0.007 0.000 0.827 27 E CB 1.691 31.392 29.700 0.002 0.000 1.130 27 E HN 0.219 nan 8.360 nan 0.000 0.394 28 V N 3.296 123.211 119.914 0.001 0.000 2.459 28 V HA 0.284 4.405 4.120 0.002 0.000 0.295 28 V C -0.380 175.706 176.094 -0.012 0.000 1.029 28 V CA -0.797 61.501 62.300 -0.003 0.000 0.874 28 V CB 1.140 32.966 31.823 0.005 0.000 0.985 28 V HN 0.613 nan 8.190 nan 0.000 0.438 29 I N 4.348 124.917 120.570 -0.002 0.000 2.307 29 I HA 0.562 4.733 4.170 0.002 0.000 0.289 29 I C 0.660 176.800 176.117 0.038 0.000 1.021 29 I CA 0.173 61.480 61.300 0.012 0.000 1.224 29 I CB 1.490 39.500 38.000 0.018 0.000 1.376 29 I HN 0.706 nan 8.210 nan 0.000 0.470 30 A N 6.694 129.524 122.820 0.017 0.000 2.366 30 A HA 0.570 4.892 4.320 0.002 0.000 0.272 30 A C -0.882 176.815 177.584 0.188 0.000 1.135 30 A CA -0.142 51.922 52.037 0.045 0.000 0.804 30 A CB 0.152 19.051 19.000 -0.168 0.000 1.064 30 A HN 0.533 nan 8.150 nan 0.000 0.499 31 F N 2.353 122.349 119.950 0.076 0.000 2.477 31 F HA 0.597 5.125 4.527 0.002 0.000 0.335 31 F C -0.305 175.545 175.800 0.083 0.000 1.130 31 F CA -0.206 57.832 58.000 0.064 0.000 0.948 31 F CB 1.951 40.977 39.000 0.042 0.000 1.154 31 F HN 0.443 nan 8.300 nan 0.000 0.439 32 T N 5.473 119.639 114.554 -0.646 0.000 2.824 32 T HA 0.831 5.182 4.350 0.002 0.000 0.282 32 T C -0.915 173.276 174.700 -0.850 0.000 0.993 32 T CA -0.606 61.145 62.100 -0.582 0.000 0.967 32 T CB 1.421 70.170 68.868 -0.198 0.000 0.960 32 T HN 0.781 nan 8.240 nan 0.000 0.441 33 A N 2.126 124.514 122.820 -0.720 0.000 2.386 33 A HA 0.695 5.016 4.320 0.002 0.000 0.311 33 A C -1.047 176.354 177.584 -0.304 0.000 1.068 33 A CA -0.785 50.934 52.037 -0.529 0.000 0.743 33 A CB 1.258 19.956 19.000 -0.504 0.000 1.258 33 A HN 0.716 nan 8.150 nan 0.000 0.429 34 D N 2.045 122.315 120.400 -0.216 0.000 2.359 34 D HA 0.436 5.077 4.640 0.002 0.000 0.230 34 D C 0.344 176.550 176.300 -0.158 0.000 1.118 34 D CA -0.235 53.670 54.000 -0.158 0.000 0.844 34 D CB 0.397 41.136 40.800 -0.101 0.000 1.059 34 D HN 0.449 nan 8.370 nan 0.000 0.493 35 I N 0.782 121.229 120.570 -0.205 0.000 3.833 35 I HA 0.543 4.714 4.170 0.002 0.000 0.328 35 I C 0.867 176.892 176.117 -0.154 0.000 1.554 35 I CA -0.673 60.465 61.300 -0.270 0.000 1.116 35 I CB 0.405 38.015 38.000 -0.651 0.000 1.182 35 I HN 0.483 nan 8.210 nan 0.000 0.459 36 G N 2.134 110.889 108.800 -0.074 0.000 2.141 36 G HA2 -0.228 3.733 3.960 0.002 0.000 0.195 36 G HA3 -0.228 3.733 3.960 0.002 0.000 0.195 36 G C 0.250 175.136 174.900 -0.023 0.000 1.012 36 G CA 0.185 45.278 45.100 -0.012 0.000 0.696 36 G HN 0.521 nan 8.290 nan 0.000 0.508 37 Q N -0.169 119.595 119.800 -0.061 0.000 2.444 37 Q HA 0.441 4.782 4.340 0.002 0.000 0.206 37 Q C 2.022 178.000 176.000 -0.037 0.000 0.948 37 Q CA 1.127 56.896 55.803 -0.057 0.000 0.946 37 Q CB 0.276 28.961 28.738 -0.088 0.000 1.027 37 Q HN 1.686 nan 8.270 nan 0.000 0.513 38 G N 0.227 109.011 108.800 -0.027 0.000 2.160 38 G HA2 -0.315 3.646 3.960 0.002 0.000 0.251 38 G HA3 -0.315 3.646 3.960 0.002 0.000 0.251 38 G C -0.341 174.544 174.900 -0.024 0.000 1.008 38 G CA 0.246 45.337 45.100 -0.016 0.000 0.724 38 G HN 0.369 nan 8.290 nan 0.000 0.514 39 E N -0.487 119.689 120.200 -0.040 0.000 2.221 39 E HA 0.481 4.832 4.350 0.002 0.000 0.268 39 E C -0.400 176.176 176.600 -0.041 0.000 0.933 39 E CA -0.955 55.420 56.400 -0.043 0.000 0.809 39 E CB 1.153 30.818 29.700 -0.060 0.000 1.190 39 E HN 0.100 nan 8.360 nan 0.000 0.406 40 E N 1.775 121.955 120.200 -0.032 0.000 2.003 40 E HA 0.054 4.405 4.350 0.002 0.000 0.279 40 E C 0.146 176.726 176.600 -0.033 0.000 1.132 40 E CA 0.024 56.408 56.400 -0.027 0.000 0.888 40 E CB 0.534 30.225 29.700 -0.015 0.000 1.056 40 E HN 0.329 nan 8.360 nan 0.000 0.399 41 V N 4.785 124.672 119.914 -0.046 0.000 2.490 41 V HA -0.195 3.926 4.120 0.002 0.000 0.250 41 V C 1.891 177.967 176.094 -0.030 0.000 1.061 41 V CA 1.597 63.862 62.300 -0.059 0.000 1.064 41 V CB -0.395 31.375 31.823 -0.089 0.000 0.670 41 V HN 0.616 nan 8.190 nan 0.000 0.461 42 E N 0.071 120.260 120.200 -0.017 0.000 2.204 42 E HA -0.185 4.166 4.350 0.002 0.000 0.194 42 E C 2.214 178.822 176.600 0.012 0.000 0.989 42 E CA 0.938 57.337 56.400 -0.001 0.000 0.824 42 E CB -0.030 29.670 29.700 0.000 0.000 0.756 42 E HN 0.720 nan 8.360 nan 0.000 0.477 43 E N 0.382 120.588 120.200 0.010 0.000 2.107 43 E HA -0.071 4.280 4.350 0.002 0.000 0.191 43 E C 2.019 178.650 176.600 0.052 0.000 0.982 43 E CA 0.764 57.178 56.400 0.023 0.000 0.809 43 E CB -0.020 29.688 29.700 0.012 0.000 0.756 43 E HN 0.151 nan 8.360 nan 0.000 0.459 44 A N 1.682 124.533 122.820 0.051 0.000 1.933 44 A HA -0.190 4.131 4.320 0.002 0.000 0.218 44 A C 2.103 179.822 177.584 0.225 0.000 1.175 44 A CA 1.258 53.372 52.037 0.129 0.000 0.628 44 A CB -0.407 18.610 19.000 0.029 0.000 0.814 44 A HN 0.057 nan 8.150 nan 0.000 0.444 45 R N -0.038 120.527 120.500 0.109 0.000 2.081 45 R HA -0.148 4.193 4.340 0.002 0.000 0.235 45 R C 1.862 178.184 176.300 0.037 0.000 1.131 45 R CA 1.766 57.907 56.100 0.069 0.000 0.960 45 R CB -0.210 30.109 30.300 0.032 0.000 0.856 45 R HN 0.705 nan 8.270 nan 0.000 0.436 46 E N -0.033 120.192 120.200 0.041 0.000 2.158 46 E HA -0.161 4.190 4.350 0.002 0.000 0.191 46 E C 1.861 178.478 176.600 0.029 0.000 0.982 46 E CA 0.697 57.112 56.400 0.025 0.000 0.823 46 E CB 0.030 29.744 29.700 0.024 0.000 0.766 46 E HN 0.264 nan 8.360 nan 0.000 0.468 47 K N 1.216 121.659 120.400 0.072 0.000 2.148 47 K HA -0.086 4.235 4.320 0.002 0.000 0.204 47 K C 2.147 178.764 176.600 0.029 0.000 1.050 47 K CA 0.953 57.296 56.287 0.094 0.000 0.942 47 K CB -0.041 32.566 32.500 0.179 0.000 0.724 47 K HN 0.065 nan 8.250 nan 0.000 0.446 48 A N 1.515 124.288 122.820 -0.079 0.000 1.883 48 A HA -0.148 4.173 4.320 0.002 0.000 0.217 48 A C 2.094 179.555 177.584 -0.205 0.000 1.186 48 A CA 1.387 53.169 52.037 -0.424 0.000 0.624 48 A CB -0.661 17.995 19.000 -0.572 0.000 0.822 48 A HN 0.313 nan 8.150 nan 0.000 0.444 49 L N -1.398 119.763 121.223 -0.102 0.000 2.046 49 L HA -0.178 4.163 4.340 0.002 0.000 0.208 49 L C 2.858 179.706 176.870 -0.037 0.000 1.077 49 L CA 1.539 56.344 54.840 -0.058 0.000 0.747 49 L CB -0.500 41.541 42.059 -0.029 0.000 0.896 49 L HN 0.351 nan 8.230 nan 0.000 0.432 50 R N -0.516 119.971 120.500 -0.021 0.000 2.096 50 R HA -0.117 4.224 4.340 0.002 0.000 0.235 50 R C 2.090 178.391 176.300 0.003 0.000 1.127 50 R CA 1.788 57.887 56.100 -0.001 0.000 0.968 50 R CB -0.278 30.032 30.300 0.016 0.000 0.861 50 R HN 0.317 nan 8.270 nan 0.000 0.440 51 T N -1.473 113.076 114.554 -0.008 0.000 3.085 51 T HA 0.085 4.436 4.350 0.002 0.000 0.263 51 T C 1.040 175.742 174.700 0.003 0.000 1.127 51 T CA 1.049 63.156 62.100 0.012 0.000 1.103 51 T CB 0.629 69.507 68.868 0.017 0.000 0.921 51 T HN 0.584 nan 8.240 nan 0.000 0.510 52 G N 0.770 109.555 108.800 -0.024 0.000 2.227 52 G HA2 0.072 4.033 3.960 0.002 0.000 0.168 52 G HA3 0.072 4.033 3.960 0.002 0.000 0.168 52 G C 0.215 175.095 174.900 -0.032 0.000 1.006 52 G CA -0.325 44.767 45.100 -0.012 0.000 0.684 52 G HN 0.761 nan 8.290 nan 0.000 0.489 53 A N 0.821 123.596 122.820 -0.076 0.000 2.445 53 A HA 0.645 4.966 4.320 0.002 0.000 0.242 53 A C 1.686 179.245 177.584 -0.042 0.000 1.075 53 A CA 1.235 53.226 52.037 -0.077 0.000 0.777 53 A CB 0.461 19.380 19.000 -0.136 0.000 1.013 53 A HN 1.605 nan 8.150 nan 0.000 0.493 54 S N 0.447 116.132 115.700 -0.025 0.000 2.528 54 S HA 0.181 4.652 4.470 0.002 0.000 0.219 54 S C 0.402 174.996 174.600 -0.011 0.000 0.985 54 S CA 0.716 58.908 58.200 -0.014 0.000 0.914 54 S CB -0.185 63.011 63.200 -0.007 0.000 0.776 54 S HN 0.797 nan 8.310 nan 0.000 0.526 55 K N -0.005 120.387 120.400 -0.015 0.000 2.579 55 K HA 0.539 4.860 4.320 0.002 0.000 0.257 55 K C -2.086 174.513 176.600 -0.002 0.000 0.950 55 K CA -0.303 55.983 56.287 -0.003 0.000 0.862 55 K CB 1.446 33.952 32.500 0.009 0.000 1.317 55 K HN 0.158 nan 8.250 nan 0.000 0.436 56 A N 5.483 128.304 122.820 0.002 0.000 2.331 56 A HA 0.733 5.054 4.320 0.002 0.000 0.320 56 A C -0.843 176.774 177.584 0.054 0.000 1.138 56 A CA -0.772 51.272 52.037 0.011 0.000 0.790 56 A CB 0.486 19.471 19.000 -0.024 0.000 1.206 56 A HN 0.630 nan 8.150 nan 0.000 0.470 57 I N 1.763 122.398 120.570 0.108 0.000 2.433 57 I HA 0.619 4.790 4.170 0.002 0.000 0.292 57 I C 0.243 176.430 176.117 0.116 0.000 1.001 57 I CA -0.479 60.913 61.300 0.153 0.000 1.119 57 I CB 2.144 40.304 38.000 0.267 0.000 1.289 57 I HN 0.702 nan 8.210 nan 0.000 0.438 58 A N 7.801 130.659 122.820 0.062 0.000 2.353 58 A HA 0.877 5.198 4.320 0.002 0.000 0.299 58 A C -1.065 176.519 177.584 0.000 0.000 1.089 58 A CA -0.404 51.614 52.037 -0.032 0.000 0.736 58 A CB 1.092 20.073 19.000 -0.032 0.000 1.195 58 A HN 0.668 nan 8.150 nan 0.000 0.447 59 L N 1.342 122.538 121.223 -0.045 0.000 2.354 59 L HA 0.484 4.825 4.340 0.002 0.000 0.264 59 L C -0.845 175.992 176.870 -0.055 0.000 1.008 59 L CA -0.998 53.844 54.840 0.004 0.000 0.819 59 L CB 2.263 44.380 42.059 0.096 0.000 1.339 59 L HN 0.695 nan 8.230 nan 0.000 0.420 60 D N 2.539 122.927 120.400 -0.020 0.000 2.380 60 D HA 0.274 4.915 4.640 0.002 0.000 0.230 60 D C 0.051 176.342 176.300 -0.015 0.000 1.154 60 D CA -0.025 53.959 54.000 -0.026 0.000 0.859 60 D CB 1.113 41.911 40.800 -0.003 0.000 1.045 60 D HN 0.408 nan 8.370 nan 0.000 0.495 61 L N 3.575 124.771 121.223 -0.044 0.000 2.910 61 L HA 0.159 4.500 4.340 0.002 0.000 0.252 61 L C 1.830 178.728 176.870 0.048 0.000 1.195 61 L CA -0.279 54.551 54.840 -0.016 0.000 1.003 61 L CB 0.265 42.261 42.059 -0.106 0.000 1.328 61 L HN 0.118 nan 8.230 nan 0.000 0.540 62 K N 0.590 121.016 120.400 0.045 0.000 2.020 62 K HA -0.174 4.147 4.320 0.002 0.000 0.212 62 K C 2.009 178.674 176.600 0.109 0.000 1.050 62 K CA 1.414 57.763 56.287 0.104 0.000 0.929 62 K CB 0.047 32.583 32.500 0.061 0.000 0.714 62 K HN 0.156 nan 8.250 nan 0.000 0.443 63 E N 0.390 120.624 120.200 0.056 0.000 2.077 63 E HA -0.231 4.120 4.350 0.002 0.000 0.193 63 E C 2.087 178.709 176.600 0.037 0.000 0.989 63 E CA 1.104 57.511 56.400 0.013 0.000 0.800 63 E CB -0.073 29.634 29.700 0.013 0.000 0.746 63 E HN 0.473 nan 8.360 nan 0.000 0.452 64 E N 0.083 120.356 120.200 0.123 0.000 2.110 64 E HA -0.187 4.165 4.350 0.002 0.000 0.193 64 E C 2.008 178.803 176.600 0.325 0.000 0.988 64 E CA 0.658 57.187 56.400 0.215 0.000 0.804 64 E CB -0.226 29.643 29.700 0.283 0.000 0.745 64 E HN 0.131 nan 8.360 nan 0.000 0.458 65 F N 1.093 121.091 119.950 0.080 0.000 2.095 65 F HA -0.193 4.335 4.527 0.002 0.000 0.298 65 F C 1.917 177.747 175.800 0.051 0.000 1.104 65 F CA 1.490 59.506 58.000 0.026 0.000 1.232 65 F CB -0.612 38.325 39.000 -0.106 0.000 0.987 65 F HN -0.079 nan 8.300 nan 0.000 0.475 66 V N 1.016 120.757 119.914 -0.288 0.000 2.323 66 V HA -0.190 3.931 4.120 0.002 0.000 0.244 66 V C 2.637 178.340 176.094 -0.652 0.000 1.041 66 V CA 2.050 64.002 62.300 -0.580 0.000 1.025 66 V CB -0.820 30.678 31.823 -0.542 0.000 0.656 66 V HN 0.305 nan 8.190 nan 0.000 0.451 67 R N 0.146 120.374 120.500 -0.453 0.000 2.075 67 R HA -0.158 4.183 4.340 0.002 0.000 0.232 67 R C 1.607 177.856 176.300 -0.085 0.000 1.126 67 R CA 1.959 57.852 56.100 -0.344 0.000 0.963 67 R CB -0.112 30.097 30.300 -0.152 0.000 0.858 67 R HN 0.491 nan 8.270 nan 0.000 0.435 68 D N -1.516 118.894 120.400 0.016 0.000 2.389 68 D HA 0.040 4.681 4.640 0.002 0.000 0.206 68 D C 0.723 176.839 176.300 -0.307 0.000 1.055 68 D CA 0.549 54.511 54.000 -0.063 0.000 0.856 68 D CB 0.380 41.145 40.800 -0.058 0.000 0.957 68 D HN 0.187 nan 8.370 nan 0.000 0.509 69 F N -0.485 119.430 119.950 -0.058 0.000 2.463 69 F HA 0.073 4.601 4.527 0.002 0.000 0.271 69 F C 2.224 177.851 175.800 -0.288 0.000 0.888 69 F CA -0.055 57.795 58.000 -0.250 0.000 1.149 69 F CB -0.580 38.204 39.000 -0.359 0.000 1.071 69 F HN -0.273 nan 8.300 nan 0.000 0.802 70 V N 0.681 120.469 119.914 -0.209 0.000 2.233 70 V HA -0.290 3.831 4.120 0.002 0.000 0.247 70 V C 2.270 178.436 176.094 0.120 0.000 1.050 70 V CA 1.898 64.083 62.300 -0.192 0.000 1.010 70 V CB -0.666 30.928 31.823 -0.381 0.000 0.637 70 V HN 0.151 nan 8.190 nan 0.000 0.444 71 F N 0.208 120.098 119.950 -0.099 0.000 2.069 71 F HA -0.068 4.460 4.527 0.002 0.000 0.298 71 F C 0.244 176.052 175.800 0.013 0.000 1.113 71 F CA 1.336 59.314 58.000 -0.036 0.000 1.214 71 F CB -2.638 36.347 39.000 -0.025 0.000 0.978 71 F HN 0.265 nan 8.300 nan 0.000 0.474 72 P HA -0.233 nan 4.420 nan 0.000 0.216 72 P C 2.151 179.593 177.300 0.237 0.000 1.150 72 P CA 1.786 65.032 63.100 0.243 0.000 0.843 72 P CB -0.234 31.665 31.700 0.331 0.000 0.787 73 M N -1.888 117.894 119.600 0.303 0.000 2.175 73 M HA -0.116 4.365 4.480 0.002 0.000 0.264 73 M C 1.878 178.183 176.300 0.008 0.000 1.063 73 M CA 1.864 57.337 55.300 0.289 0.000 1.119 73 M CB -0.372 32.375 32.600 0.245 0.000 1.377 73 M HN -0.142 nan 8.290 nan 0.000 0.415 74 M N -0.435 119.166 119.600 0.001 0.000 2.175 74 M HA -0.149 4.332 4.480 0.002 0.000 0.264 74 M C 1.957 178.170 176.300 -0.145 0.000 1.063 74 M CA 1.518 56.783 55.300 -0.059 0.000 1.119 74 M CB -0.427 32.156 32.600 -0.029 0.000 1.377 74 M HN 0.243 nan 8.290 nan 0.000 0.415 75 R N 0.281 120.698 120.500 -0.138 0.000 2.241 75 R HA -0.057 4.284 4.340 0.002 0.000 0.224 75 R C 1.931 178.047 176.300 -0.308 0.000 1.101 75 R CA 1.168 57.169 56.100 -0.166 0.000 0.995 75 R CB -0.370 29.877 30.300 -0.088 0.000 0.870 75 R HN 0.350 nan 8.270 nan 0.000 0.463 76 A N 0.145 122.621 122.820 -0.573 0.000 2.238 76 A HA 0.240 4.561 4.320 0.002 0.000 0.210 76 A C 1.342 178.440 177.584 -0.809 0.000 1.179 76 A CA 0.524 51.814 52.037 -1.244 0.000 0.827 76 A CB 0.096 17.692 19.000 -2.341 0.000 0.856 76 A HN 0.365 nan 8.150 nan 0.000 0.488 77 G N -0.826 107.731 108.800 -0.405 0.000 2.249 77 G HA2 0.054 4.015 3.960 0.002 0.000 0.273 77 G HA3 0.054 4.015 3.960 0.002 0.000 0.273 77 G C 0.372 175.217 174.900 -0.091 0.000 1.036 77 G CA 0.393 45.377 45.100 -0.193 0.000 0.824 77 G HN 1.593 nan 8.290 nan 0.000 0.504 78 A N -0.483 122.258 122.820 -0.131 0.000 2.491 78 A HA 0.606 4.927 4.320 0.002 0.000 0.261 78 A C 0.360 177.945 177.584 0.001 0.000 1.101 78 A CA 0.531 52.563 52.037 -0.009 0.000 0.772 78 A CB 0.784 19.866 19.000 0.137 0.000 1.043 78 A HN 1.322 nan 8.150 nan 0.000 0.501 79 V N 3.931 123.844 119.914 -0.001 0.000 2.567 79 V HA 0.177 4.298 4.120 0.002 0.000 0.298 79 V C -1.061 175.032 176.094 -0.003 0.000 1.047 79 V CA -0.520 61.743 62.300 -0.061 0.000 0.880 79 V CB 1.406 33.141 31.823 -0.147 0.000 1.009 79 V HN 0.789 nan 8.190 nan 0.000 0.429 80 Y N 4.001 124.234 120.300 -0.111 0.000 2.404 80 Y HA 0.340 4.891 4.550 0.002 0.000 0.344 80 Y C 1.113 176.973 175.900 -0.067 0.000 0.995 80 Y CA -0.381 57.661 58.100 -0.096 0.000 1.201 80 Y CB 0.342 38.753 38.460 -0.082 0.000 1.151 80 Y HN 0.882 nan 8.280 nan 0.000 0.517 81 E N 4.244 124.096 120.200 -0.580 0.000 2.252 81 E HA -0.307 4.045 4.350 0.002 0.000 0.218 81 E C 1.161 177.613 176.600 -0.247 0.000 1.253 81 E CA 0.616 56.747 56.400 -0.449 0.000 0.705 81 E CB -1.509 27.855 29.700 -0.560 0.000 1.172 81 E HN 1.203 nan 8.360 nan 0.000 0.369 82 G N -1.033 107.578 108.800 -0.315 0.000 2.396 82 G HA2 -0.426 3.535 3.960 0.002 0.000 0.242 82 G HA3 -0.426 3.535 3.960 0.002 0.000 0.242 82 G C 0.564 174.988 174.900 -0.793 0.000 1.069 82 G CA 0.908 45.652 45.100 -0.593 0.000 0.633 82 G HN 0.426 nan 8.290 nan 0.000 0.517 83 Y N -2.094 118.178 120.300 -0.047 0.000 2.476 83 Y HA 0.438 4.989 4.550 0.002 0.000 0.274 83 Y C 0.854 176.771 175.900 0.028 0.000 1.120 83 Y CA -0.569 57.515 58.100 -0.026 0.000 1.214 83 Y CB 0.174 38.650 38.460 0.026 0.000 1.285 83 Y HN 0.202 nan 8.280 nan 0.000 0.520 84 Y N 3.041 123.371 120.300 0.051 0.000 2.537 84 Y HA 0.166 4.717 4.550 0.002 0.000 0.339 84 Y C 0.657 176.505 175.900 -0.088 0.000 1.066 84 Y CA -0.828 57.234 58.100 -0.063 0.000 1.357 84 Y CB 0.364 38.802 38.460 -0.038 0.000 1.175 84 Y HN 0.140 nan 8.280 nan 0.000 0.525 85 L N 7.182 128.175 121.223 -0.383 0.000 2.645 85 L HA 0.026 4.367 4.340 0.002 0.000 0.235 85 L C 0.554 177.002 176.870 -0.703 0.000 1.150 85 L CA 0.099 54.681 54.840 -0.429 0.000 0.911 85 L CB -0.420 41.510 42.059 -0.215 0.000 1.077 85 L HN 0.786 nan 8.230 nan 0.000 0.438 86 L N -0.447 119.841 121.223 -1.559 0.000 3.608 86 L HA -0.256 4.085 4.340 0.002 0.000 0.422 86 L C 1.646 178.091 176.870 -0.708 0.000 1.260 86 L CA 0.109 54.201 54.840 -1.247 0.000 0.889 86 L CB -2.072 39.651 42.059 -0.560 0.000 1.821 86 L HN 0.392 nan 8.230 nan 0.000 0.884 87 G N -0.982 107.331 108.800 -0.811 0.000 2.422 87 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 87 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 87 G C 1.268 175.874 174.900 -0.490 0.000 1.146 87 G CA 1.406 45.933 45.100 -0.956 0.000 0.769 87 G HN 0.423 nan 8.290 nan 0.000 0.547 88 T N 0.799 115.283 114.554 -0.115 0.000 2.851 88 T HA -0.021 4.330 4.350 0.002 0.000 0.262 88 T C 2.884 177.523 174.700 -0.101 0.000 1.043 88 T CA 1.281 63.414 62.100 0.055 0.000 1.140 88 T CB -0.205 68.794 68.868 0.219 0.000 0.872 88 T HN 0.242 nan 8.240 nan 0.000 0.446 89 S N 1.985 117.619 115.700 -0.111 0.000 2.359 89 S HA -0.122 4.350 4.470 0.002 0.000 0.224 89 S C 1.950 176.404 174.600 -0.242 0.000 1.035 89 S CA 1.454 59.533 58.200 -0.201 0.000 1.018 89 S CB -0.434 62.655 63.200 -0.185 0.000 0.876 89 S HN 0.592 nan 8.310 nan 0.000 0.448 90 I N 0.902 121.328 120.570 -0.239 0.000 3.176 90 I HA 0.196 4.367 4.170 0.002 0.000 0.275 90 I C 1.933 177.935 176.117 -0.191 0.000 1.298 90 I CA 0.298 61.420 61.300 -0.297 0.000 1.445 90 I CB -0.906 36.913 38.000 -0.301 0.000 1.075 90 I HN 0.141 nan 8.210 nan 0.000 0.482 91 A N 0.998 123.729 122.820 -0.149 0.000 1.975 91 A HA 0.049 4.370 4.320 0.002 0.000 0.215 91 A C 2.296 179.652 177.584 -0.381 0.000 1.170 91 A CA 0.407 52.265 52.037 -0.298 0.000 0.656 91 A CB -0.232 18.518 19.000 -0.416 0.000 0.821 91 A HN 0.190 nan 8.150 nan 0.000 0.449 92 R N 0.154 120.429 120.500 -0.374 0.000 2.080 92 R HA -0.102 4.240 4.340 0.002 0.000 0.236 92 R C -0.550 175.612 176.300 -0.230 0.000 1.137 92 R CA 1.707 57.534 56.100 -0.455 0.000 0.943 92 R CB -2.456 27.424 30.300 -0.699 0.000 0.846 92 R HN 0.352 nan 8.270 nan 0.000 0.431 93 P HA -0.148 nan 4.420 nan 0.000 0.217 93 P C 1.596 179.017 177.300 0.202 0.000 1.148 93 P CA 0.962 64.159 63.100 0.160 0.000 0.828 93 P CB -0.071 31.747 31.700 0.197 0.000 0.783 94 L N -1.143 119.913 121.223 -0.278 0.000 2.044 94 L HA -0.122 4.219 4.340 0.002 0.000 0.205 94 L C 1.977 178.902 176.870 0.092 0.000 1.075 94 L CA 1.654 56.282 54.840 -0.354 0.000 0.747 94 L CB -0.545 40.995 42.059 -0.864 0.000 0.903 94 L HN -0.089 nan 8.230 nan 0.000 0.435 95 I N 0.444 121.059 120.570 0.076 0.000 2.202 95 I HA -0.210 3.961 4.170 0.002 0.000 0.242 95 I C 2.919 179.220 176.117 0.307 0.000 1.091 95 I CA 1.488 62.955 61.300 0.278 0.000 1.368 95 I CB -1.810 36.393 38.000 0.338 0.000 1.058 95 I HN 0.218 nan 8.210 nan 0.000 0.410 96 A N 0.972 123.977 122.820 0.309 0.000 1.933 96 A HA -0.261 4.060 4.320 0.002 0.000 0.218 96 A C 2.449 180.103 177.584 0.116 0.000 1.175 96 A CA 2.019 54.200 52.037 0.241 0.000 0.628 96 A CB -0.645 18.520 19.000 0.275 0.000 0.814 96 A HN 0.458 nan 8.150 nan 0.000 0.444 97 K N -1.233 119.255 120.400 0.146 0.000 2.103 97 K HA -0.243 4.078 4.320 0.002 0.000 0.207 97 K C 1.788 178.325 176.600 -0.106 0.000 1.048 97 K CA 1.940 58.247 56.287 0.033 0.000 0.930 97 K CB -0.293 32.304 32.500 0.162 0.000 0.716 97 K HN 0.623 nan 8.250 nan 0.000 0.444 98 H N 0.122 119.141 119.070 -0.084 0.000 2.436 98 H HA 0.059 4.616 4.556 0.002 0.000 0.294 98 H C 1.829 176.888 175.328 -0.449 0.000 1.048 98 H CA 1.305 57.172 56.048 -0.302 0.000 1.353 98 H CB 0.103 29.584 29.762 -0.468 0.000 1.414 98 H HN 0.083 nan 8.280 nan 0.000 0.536 99 L N -0.489 120.603 121.223 -0.220 0.000 2.017 99 L HA -0.165 4.176 4.340 0.002 0.000 0.208 99 L C 2.077 178.861 176.870 -0.144 0.000 1.073 99 L CA 0.909 55.636 54.840 -0.188 0.000 0.745 99 L CB -0.363 41.661 42.059 -0.058 0.000 0.894 99 L HN 0.177 nan 8.230 nan 0.000 0.432 100 V N -0.443 119.404 119.914 -0.112 0.000 2.667 100 V HA -0.204 3.917 4.120 0.002 0.000 0.252 100 V C 2.603 178.630 176.094 -0.113 0.000 1.065 100 V CA 1.359 63.601 62.300 -0.098 0.000 1.083 100 V CB -0.573 31.200 31.823 -0.083 0.000 0.692 100 V HN 0.409 nan 8.190 nan 0.000 0.468 101 R N 0.024 120.431 120.500 -0.156 0.000 2.062 101 R HA -0.018 4.323 4.340 0.002 0.000 0.226 101 R C 2.272 178.496 176.300 -0.125 0.000 1.125 101 R CA 1.411 57.419 56.100 -0.152 0.000 0.966 101 R CB -0.180 29.986 30.300 -0.223 0.000 0.861 101 R HN 0.421 nan 8.270 nan 0.000 0.433 102 I N 0.895 121.369 120.570 -0.159 0.000 2.286 102 I HA -0.225 3.946 4.170 0.002 0.000 0.248 102 I C 2.539 178.608 176.117 -0.081 0.000 1.115 102 I CA 1.160 62.386 61.300 -0.123 0.000 1.392 102 I CB -0.338 37.553 38.000 -0.181 0.000 1.065 102 I HN 0.258 nan 8.210 nan 0.000 0.418 103 A N 0.710 123.478 122.820 -0.085 0.000 1.902 103 A HA -0.224 4.097 4.320 0.002 0.000 0.217 103 A C 2.201 179.758 177.584 -0.045 0.000 1.181 103 A CA 1.706 53.708 52.037 -0.059 0.000 0.623 103 A CB -0.545 18.419 19.000 -0.061 0.000 0.818 103 A HN 0.460 nan 8.150 nan 0.000 0.443 104 E N -0.240 119.931 120.200 -0.050 0.000 2.106 104 E HA -0.181 4.170 4.350 0.002 0.000 0.192 104 E C 1.927 178.509 176.600 -0.030 0.000 0.984 104 E CA 1.316 57.694 56.400 -0.037 0.000 0.806 104 E CB -0.179 29.496 29.700 -0.041 0.000 0.750 104 E HN 0.757 nan 8.360 nan 0.000 0.458 105 E N 0.569 120.748 120.200 -0.034 0.000 2.158 105 E HA -0.100 4.251 4.350 0.002 0.000 0.191 105 E C 1.623 178.213 176.600 -0.016 0.000 0.982 105 E CA 0.552 56.939 56.400 -0.023 0.000 0.823 105 E CB 0.166 29.852 29.700 -0.023 0.000 0.766 105 E HN 0.139 nan 8.360 nan 0.000 0.468 106 E N -0.191 119.997 120.200 -0.020 0.000 2.474 106 E HA 0.042 4.394 4.350 0.002 0.000 0.194 106 E C 0.954 177.547 176.600 -0.012 0.000 1.041 106 E CA 0.485 56.878 56.400 -0.013 0.000 0.874 106 E CB 0.785 30.477 29.700 -0.013 0.000 0.914 106 E HN 0.337 nan 8.360 nan 0.000 0.498 107 G N 1.585 110.376 108.800 -0.015 0.000 2.198 107 G HA2 -0.271 3.690 3.960 0.002 0.000 0.257 107 G HA3 -0.271 3.690 3.960 0.002 0.000 0.257 107 G C 0.321 175.213 174.900 -0.014 0.000 1.042 107 G CA 0.308 45.401 45.100 -0.012 0.000 0.791 107 G HN 0.450 nan 8.290 nan 0.000 0.502 108 A N -0.030 122.778 122.820 -0.021 0.000 2.328 108 A HA 0.700 5.022 4.320 0.002 0.000 0.284 108 A C 1.145 178.714 177.584 -0.026 0.000 1.160 108 A CA 0.510 52.532 52.037 -0.025 0.000 0.818 108 A CB 0.458 19.438 19.000 -0.033 0.000 1.087 108 A HN 0.915 nan 8.150 nan 0.000 0.504 109 E N 1.868 122.054 120.200 -0.024 0.000 2.478 109 E HA 0.391 4.742 4.350 0.002 0.000 0.194 109 E C 0.416 176.998 176.600 -0.030 0.000 1.045 109 E CA 0.727 57.117 56.400 -0.017 0.000 0.868 109 E CB 0.153 29.849 29.700 -0.006 0.000 0.885 109 E HN 0.684 nan 8.360 nan 0.000 0.505 110 A N 1.303 124.089 122.820 -0.056 0.000 2.587 110 A HA 0.665 4.986 4.320 0.002 0.000 0.293 110 A C -0.858 176.669 177.584 -0.095 0.000 1.087 110 A CA -1.037 50.950 52.037 -0.084 0.000 0.692 110 A CB 1.200 20.119 19.000 -0.135 0.000 1.291 110 A HN 0.346 nan 8.150 nan 0.000 0.407 111 I N -2.331 118.174 120.570 -0.109 0.000 3.002 111 I HA 0.983 5.154 4.170 0.002 0.000 0.310 111 I C -0.278 175.754 176.117 -0.142 0.000 1.087 111 I CA -1.156 60.082 61.300 -0.104 0.000 1.017 111 I CB 2.269 40.216 38.000 -0.089 0.000 1.226 111 I HN 1.029 nan 8.210 nan 0.000 0.443 112 A N 1.997 124.735 122.820 -0.137 0.000 2.539 112 A HA 0.906 5.227 4.320 0.002 0.000 0.296 112 A C -1.441 176.019 177.584 -0.206 0.000 1.073 112 A CA -0.481 51.430 52.037 -0.210 0.000 0.700 112 A CB 1.359 20.265 19.000 -0.156 0.000 1.296 112 A HN 1.117 nan 8.150 nan 0.000 0.405 113 H N -1.817 117.110 119.070 -0.238 0.000 2.980 113 H HA 0.687 5.244 4.556 0.002 0.000 0.367 113 H C 0.290 175.520 175.328 -0.165 0.000 1.206 113 H CA -0.334 55.497 56.048 -0.360 0.000 1.126 113 H CB 1.456 30.730 29.762 -0.812 0.000 1.838 113 H HN 0.725 nan 8.280 nan 0.000 0.552 114 G N 0.102 108.969 108.800 0.112 0.000 3.448 114 G HA2 0.447 4.408 3.960 0.002 0.000 0.261 114 G HA3 0.447 4.408 3.960 0.002 0.000 0.261 114 G C 0.238 175.296 174.900 0.263 0.000 1.173 114 G CA 0.037 45.283 45.100 0.244 0.000 0.835 114 G HN 0.903 nan 8.290 nan 0.000 0.534 115 A N 1.027 124.065 122.820 0.363 0.000 2.445 115 A HA 0.539 4.860 4.320 0.002 0.000 0.242 115 A C 1.133 178.679 177.584 -0.064 0.000 1.075 115 A CA 0.280 52.394 52.037 0.128 0.000 0.777 115 A CB 0.036 19.118 19.000 0.138 0.000 1.013 115 A HN 0.585 nan 8.150 nan 0.000 0.493 116 T N -0.139 114.218 114.554 -0.329 0.000 2.856 116 T HA 0.379 4.730 4.350 0.002 0.000 0.306 116 T C 1.259 175.909 174.700 -0.083 0.000 1.062 116 T CA 0.018 61.861 62.100 -0.428 0.000 1.083 116 T CB 1.086 69.657 68.868 -0.495 0.000 0.984 116 T HN 1.030 nan 8.240 nan 0.000 0.542 117 G N 0.817 109.628 108.800 0.018 0.000 2.776 117 G HA2 -0.027 3.935 3.960 0.002 0.000 0.209 117 G HA3 -0.027 3.935 3.960 0.002 0.000 0.209 117 G C 1.196 176.113 174.900 0.027 0.000 1.145 117 G CA 0.181 45.315 45.100 0.058 0.000 0.791 117 G HN 0.812 nan 8.290 nan 0.000 0.530 118 K N 0.283 120.679 120.400 -0.007 0.000 2.413 118 K HA 0.240 4.561 4.320 0.002 0.000 0.204 118 K C 0.712 177.301 176.600 -0.018 0.000 1.041 118 K CA 0.143 56.426 56.287 -0.006 0.000 1.082 118 K CB 0.395 32.895 32.500 -0.001 0.000 0.871 118 K HN 0.101 nan 8.250 nan 0.000 0.535 119 G N 0.884 109.664 108.800 -0.035 0.000 2.642 119 G HA2 0.200 4.161 3.960 0.002 0.000 0.291 119 G HA3 0.200 4.161 3.960 0.002 0.000 0.291 119 G C 0.028 174.914 174.900 -0.023 0.000 1.345 119 G CA -0.562 44.518 45.100 -0.034 0.000 1.043 119 G HN 0.038 nan 8.290 nan 0.000 0.528 120 N N -0.716 117.966 118.700 -0.031 0.000 2.395 120 N HA -0.029 4.712 4.740 0.002 0.000 0.175 120 N C 1.460 176.907 175.510 -0.104 0.000 1.029 120 N CA 0.484 53.511 53.050 -0.039 0.000 0.897 120 N CB 0.092 38.529 38.487 -0.084 0.000 0.991 120 N HN 0.534 nan 8.380 nan 0.000 0.441 121 D N 1.426 121.747 120.400 -0.132 0.000 2.149 121 D HA -0.178 4.463 4.640 0.002 0.000 0.198 121 D C 2.103 178.292 176.300 -0.185 0.000 0.990 121 D CA 1.098 54.973 54.000 -0.209 0.000 0.839 121 D CB 0.101 40.807 40.800 -0.156 0.000 0.948 121 D HN 0.461 nan 8.370 nan 0.000 0.460 122 Q N -0.128 119.624 119.800 -0.079 0.000 2.096 122 Q HA -0.165 4.176 4.340 0.002 0.000 0.204 122 Q C 2.115 178.094 176.000 -0.036 0.000 0.982 122 Q CA 1.589 57.353 55.803 -0.064 0.000 0.850 122 Q CB -0.516 28.271 28.738 0.080 0.000 0.901 122 Q HN 0.196 nan 8.270 nan 0.000 0.422 123 V N 1.432 121.332 119.914 -0.023 0.000 2.407 123 V HA -0.232 3.890 4.120 0.002 0.000 0.248 123 V C 2.476 178.527 176.094 -0.071 0.000 1.055 123 V CA 2.160 64.460 62.300 0.001 0.000 1.049 123 V CB -0.728 31.138 31.823 0.071 0.000 0.662 123 V HN 0.350 nan 8.190 nan 0.000 0.455 124 R N -0.695 119.703 120.500 -0.169 0.000 2.066 124 R HA -0.094 4.247 4.340 0.002 0.000 0.232 124 R C 2.334 178.518 176.300 -0.194 0.000 1.131 124 R CA 1.789 57.739 56.100 -0.250 0.000 0.955 124 R CB -0.530 29.530 30.300 -0.400 0.000 0.851 124 R HN 0.443 nan 8.270 nan 0.000 0.432 125 F N 1.330 121.168 119.950 -0.186 0.000 2.075 125 F HA -0.196 4.332 4.527 0.002 0.000 0.297 125 F C 2.434 178.159 175.800 -0.125 0.000 1.113 125 F CA 1.350 59.240 58.000 -0.183 0.000 1.218 125 F CB -0.045 38.718 39.000 -0.396 0.000 0.984 125 F HN 0.081 nan 8.300 nan 0.000 0.472 126 E N 0.242 120.489 120.200 0.078 0.000 2.107 126 E HA -0.164 4.187 4.350 0.002 0.000 0.191 126 E C 2.240 178.838 176.600 -0.004 0.000 0.982 126 E CA 0.851 57.222 56.400 -0.048 0.000 0.809 126 E CB -0.218 29.491 29.700 0.016 0.000 0.756 126 E HN 0.422 nan 8.360 nan 0.000 0.459 127 L N 0.810 122.069 121.223 0.060 0.000 2.046 127 L HA -0.193 4.148 4.340 0.002 0.000 0.208 127 L C 2.935 179.890 176.870 0.141 0.000 1.077 127 L CA 1.669 56.568 54.840 0.098 0.000 0.747 127 L CB -0.639 41.362 42.059 -0.096 0.000 0.896 127 L HN 0.300 nan 8.230 nan 0.000 0.432 128 T N -1.782 112.854 114.554 0.137 0.000 2.857 128 T HA -0.056 4.295 4.350 0.002 0.000 0.266 128 T C 1.906 176.671 174.700 0.107 0.000 1.048 128 T CA 0.949 63.184 62.100 0.225 0.000 1.139 128 T CB -0.043 69.055 68.868 0.383 0.000 0.874 128 T HN 0.299 nan 8.240 nan 0.000 0.455 129 A N 0.565 123.405 122.820 0.034 0.000 1.851 129 A HA -0.015 4.307 4.320 0.002 0.000 0.216 129 A C 2.189 179.761 177.584 -0.021 0.000 1.195 129 A CA 1.734 53.735 52.037 -0.060 0.000 0.622 129 A CB -1.462 17.424 19.000 -0.191 0.000 0.831 129 A HN 0.716 nan 8.150 nan 0.000 0.444 130 Y N -0.350 119.989 120.300 0.066 0.000 2.224 130 Y HA -0.155 4.396 4.550 0.002 0.000 0.289 130 Y C 2.901 178.834 175.900 0.054 0.000 1.146 130 Y CA 0.562 58.696 58.100 0.057 0.000 1.182 130 Y CB -0.184 38.318 38.460 0.069 0.000 0.983 130 Y HN 0.386 nan 8.280 nan 0.000 0.524 131 A N -0.167 122.787 122.820 0.222 0.000 1.969 131 A HA -0.102 4.219 4.320 0.002 0.000 0.218 131 A C 2.053 179.681 177.584 0.072 0.000 1.169 131 A CA 1.261 53.394 52.037 0.160 0.000 0.635 131 A CB -0.699 18.421 19.000 0.199 0.000 0.810 131 A HN 0.489 nan 8.150 nan 0.000 0.445 132 L N -2.094 119.137 121.223 0.014 0.000 2.298 132 L HA 0.174 4.515 4.340 0.002 0.000 0.209 132 L C 0.999 177.857 176.870 -0.019 0.000 1.084 132 L CA 0.618 55.419 54.840 -0.065 0.000 0.816 132 L CB 0.113 42.072 42.059 -0.168 0.000 0.967 132 L HN 0.113 nan 8.230 nan 0.000 0.460 133 K N 0.545 120.959 120.400 0.024 0.000 2.723 133 K HA 0.216 4.537 4.320 0.002 0.000 0.229 133 K C -2.089 174.577 176.600 0.109 0.000 1.022 133 K CA -1.391 54.919 56.287 0.038 0.000 1.045 133 K CB 1.875 34.380 32.500 0.008 0.000 1.227 133 K HN -0.242 nan 8.250 nan 0.000 0.516 134 P HA -0.143 nan 4.420 nan 0.000 0.221 134 P C 0.143 177.526 177.300 0.138 0.000 1.145 134 P CA 1.112 64.295 63.100 0.138 0.000 0.795 134 P CB 0.445 32.189 31.700 0.073 0.000 0.775 135 D N -0.778 119.684 120.400 0.103 0.000 2.339 135 D HA 0.075 4.716 4.640 0.002 0.000 0.217 135 D C 0.985 177.350 176.300 0.108 0.000 1.050 135 D CA -0.354 53.699 54.000 0.088 0.000 0.856 135 D CB -0.162 40.668 40.800 0.050 0.000 0.922 135 D HN 0.200 nan 8.370 nan 0.000 0.518 136 I N 1.364 122.012 120.570 0.130 0.000 2.813 136 I HA -0.074 4.097 4.170 0.002 0.000 0.287 136 I C 0.433 176.624 176.117 0.123 0.000 1.196 136 I CA -0.051 61.298 61.300 0.082 0.000 1.421 136 I CB 0.521 38.531 38.000 0.016 0.000 1.365 136 I HN -0.301 nan 8.210 nan 0.000 0.591 137 K N 6.390 126.821 120.400 0.051 0.000 2.213 137 K HA 0.542 4.863 4.320 0.002 0.000 0.270 137 K C -1.679 174.909 176.600 -0.021 0.000 1.002 137 K CA -0.672 55.647 56.287 0.054 0.000 0.868 137 K CB 1.017 33.527 32.500 0.016 0.000 1.093 137 K HN 0.492 nan 8.250 nan 0.000 0.454 138 V N 6.476 126.385 119.914 -0.008 0.000 2.417 138 V HA 0.395 4.516 4.120 0.002 0.000 0.291 138 V C -0.171 175.873 176.094 -0.082 0.000 1.024 138 V CA -0.771 61.474 62.300 -0.092 0.000 0.861 138 V CB 1.341 33.071 31.823 -0.155 0.000 0.985 138 V HN 0.711 nan 8.190 nan 0.000 0.436 139 I N 4.127 124.595 120.570 -0.171 0.000 2.355 139 I HA 0.633 4.804 4.170 0.002 0.000 0.288 139 I C 0.333 176.274 176.117 -0.293 0.000 0.999 139 I CA -0.465 60.731 61.300 -0.173 0.000 1.163 139 I CB 1.732 39.576 38.000 -0.260 0.000 1.316 139 I HN 0.668 nan 8.210 nan 0.000 0.454 140 A N 8.264 130.930 122.820 -0.257 0.000 2.511 140 A HA 0.557 4.878 4.320 0.002 0.000 0.340 140 A C -1.963 175.384 177.584 -0.396 0.000 1.396 140 A CA -1.489 50.300 52.037 -0.413 0.000 0.887 140 A CB 0.191 19.058 19.000 -0.221 0.000 1.145 140 A HN 0.456 nan 8.150 nan 0.000 0.497 141 P HA -0.195 nan 4.420 nan 0.000 0.216 141 P C 0.818 177.107 177.300 -1.685 0.000 1.154 141 P CA 1.469 63.849 63.100 -1.199 0.000 0.865 141 P CB 0.030 30.915 31.700 -1.358 0.000 0.789 142 W N -0.339 120.171 121.300 -1.316 0.000 2.392 142 W HA -0.074 4.587 4.660 0.002 0.000 0.279 142 W C 2.385 178.566 176.519 -0.564 0.000 1.225 142 W CA 0.939 57.650 57.345 -1.056 0.000 1.233 142 W CB -0.526 28.639 29.460 -0.491 0.000 1.122 142 W HN -0.076 nan 8.180 nan 0.000 0.561 143 R N -0.291 120.077 120.500 -0.220 0.000 2.246 143 R HA 0.018 4.359 4.340 0.002 0.000 0.199 143 R C 1.425 177.681 176.300 -0.074 0.000 0.984 143 R CA 0.895 56.953 56.100 -0.071 0.000 1.015 143 R CB -0.013 30.281 30.300 -0.011 0.000 0.930 143 R HN 0.331 nan 8.270 nan 0.000 0.475 144 E N -0.200 119.892 120.200 -0.179 0.000 2.244 144 E HA -0.020 4.331 4.350 0.002 0.000 0.196 144 E C 0.224 176.885 176.600 0.103 0.000 0.939 144 E CA -0.137 56.262 56.400 -0.002 0.000 0.884 144 E CB -0.026 29.759 29.700 0.142 0.000 0.850 144 E HN 0.124 nan 8.360 nan 0.000 0.481 145 W N 1.905 123.064 121.300 -0.235 0.000 1.902 145 W HA 0.159 4.820 4.660 0.002 0.000 0.360 145 W C 0.924 177.334 176.519 -0.181 0.000 1.414 145 W CA -0.405 56.786 57.345 -0.258 0.000 1.457 145 W CB -0.425 28.512 29.460 -0.873 0.000 1.279 145 W HN -0.167 nan 8.180 nan 0.000 0.665 146 S N -0.970 114.732 115.700 0.003 0.000 2.650 146 S HA 0.291 4.762 4.470 0.002 0.000 0.240 146 S C 0.010 174.476 174.600 -0.223 0.000 1.007 146 S CA -0.671 57.484 58.200 -0.075 0.000 0.984 146 S CB -1.072 62.084 63.200 -0.073 0.000 0.910 146 S HN 0.303 nan 8.310 nan 0.000 0.509 147 F N 3.012 122.671 119.950 -0.484 0.000 2.608 147 F HA 0.109 4.637 4.527 0.002 0.000 0.380 147 F C 1.789 177.440 175.800 -0.248 0.000 1.083 147 F CA 0.201 57.867 58.000 -0.555 0.000 1.266 147 F CB 0.576 38.910 39.000 -1.109 0.000 1.076 147 F HN 0.258 nan 8.300 nan 0.000 0.574 148 Q N 2.263 122.098 119.800 0.058 0.000 2.247 148 Q HA 0.292 4.633 4.340 0.002 0.000 0.211 148 Q C 0.616 176.652 176.000 0.061 0.000 0.861 148 Q CA -0.054 55.787 55.803 0.064 0.000 0.949 148 Q CB 1.311 30.075 28.738 0.045 0.000 1.115 148 Q HN 0.838 nan 8.270 nan 0.000 0.507 149 G N -0.154 108.665 108.800 0.032 0.000 2.646 149 G HA2 0.261 4.222 3.960 0.002 0.000 0.291 149 G HA3 0.261 4.222 3.960 0.002 0.000 0.291 149 G C -0.632 174.241 174.900 -0.045 0.000 1.445 149 G CA -0.687 44.422 45.100 0.016 0.000 0.814 149 G HN -0.119 nan 8.290 nan 0.000 0.495 150 R N 0.111 120.597 120.500 -0.023 0.000 2.081 150 R HA -0.020 4.321 4.340 0.002 0.000 0.235 150 R C 2.340 178.590 176.300 -0.084 0.000 1.131 150 R CA 1.978 58.048 56.100 -0.051 0.000 0.960 150 R CB -0.281 30.013 30.300 -0.010 0.000 0.856 150 R HN 0.448 nan 8.270 nan 0.000 0.436 151 K N 0.442 120.813 120.400 -0.048 0.000 2.009 151 K HA -0.158 4.163 4.320 0.002 0.000 0.210 151 K C 1.979 178.551 176.600 -0.047 0.000 1.049 151 K CA 1.953 58.218 56.287 -0.037 0.000 0.929 151 K CB -0.500 31.992 32.500 -0.013 0.000 0.714 151 K HN 0.361 nan 8.250 nan 0.000 0.440 152 E N 0.520 120.694 120.200 -0.042 0.000 2.118 152 E HA -0.179 4.173 4.350 0.002 0.000 0.195 152 E C 1.898 178.440 176.600 -0.096 0.000 0.992 152 E CA 1.253 57.650 56.400 -0.004 0.000 0.804 152 E CB -0.030 29.709 29.700 0.065 0.000 0.741 152 E HN 0.286 nan 8.360 nan 0.000 0.458 153 M N -0.167 119.216 119.600 -0.362 0.000 2.229 153 M HA -0.149 4.332 4.480 0.002 0.000 0.264 153 M C 2.073 178.209 176.300 -0.275 0.000 1.063 153 M CA 0.874 55.756 55.300 -0.696 0.000 1.114 153 M CB -0.105 31.993 32.600 -0.837 0.000 1.387 153 M HN 0.177 nan 8.290 nan 0.000 0.420 154 I N 0.514 120.999 120.570 -0.142 0.000 2.252 154 I HA -0.174 3.997 4.170 0.002 0.000 0.245 154 I C 2.662 178.779 176.117 -0.000 0.000 1.102 154 I CA 1.406 62.672 61.300 -0.056 0.000 1.385 154 I CB -0.716 37.260 38.000 -0.040 0.000 1.064 154 I HN 0.173 nan 8.210 nan 0.000 0.414 155 A N -0.570 122.263 122.820 0.020 0.000 1.902 155 A HA -0.298 4.024 4.320 0.002 0.000 0.217 155 A C 2.404 180.056 177.584 0.114 0.000 1.181 155 A CA 1.814 53.886 52.037 0.058 0.000 0.623 155 A CB -1.214 17.826 19.000 0.066 0.000 0.818 155 A HN 0.526 nan 8.150 nan 0.000 0.443 156 Y N 0.526 120.844 120.300 0.031 0.000 2.145 156 Y HA -0.102 4.449 4.550 0.002 0.000 0.286 156 Y C 2.650 178.612 175.900 0.104 0.000 1.145 156 Y CA 1.473 59.640 58.100 0.112 0.000 1.148 156 Y CB -0.450 38.082 38.460 0.120 0.000 0.981 156 Y HN 0.311 nan 8.280 nan 0.000 0.507 157 A N 0.253 123.158 122.820 0.141 0.000 1.902 157 A HA -0.196 4.125 4.320 0.002 0.000 0.217 157 A C 2.055 179.663 177.584 0.041 0.000 1.181 157 A CA 1.909 53.988 52.037 0.071 0.000 0.623 157 A CB -0.729 18.302 19.000 0.052 0.000 0.818 157 A HN 0.641 nan 8.150 nan 0.000 0.443 158 E N -0.204 120.015 120.200 0.032 0.000 2.077 158 E HA -0.100 4.251 4.350 0.002 0.000 0.193 158 E C 2.289 178.892 176.600 0.004 0.000 0.989 158 E CA 0.895 57.305 56.400 0.017 0.000 0.800 158 E CB -0.308 29.399 29.700 0.011 0.000 0.746 158 E HN 0.615 nan 8.360 nan 0.000 0.452 159 A N 1.061 123.885 122.820 0.006 0.000 1.940 159 A HA -0.191 4.131 4.320 0.002 0.000 0.219 159 A C 1.334 178.847 177.584 -0.120 0.000 1.176 159 A CA 1.560 53.569 52.037 -0.047 0.000 0.631 159 A CB -0.605 18.374 19.000 -0.035 0.000 0.814 159 A HN 0.229 nan 8.150 nan 0.000 0.446 160 H N -1.342 117.604 119.070 -0.208 0.000 2.524 160 H HA 0.378 4.935 4.556 0.002 0.000 0.280 160 H C 1.455 176.733 175.328 -0.082 0.000 1.018 160 H CA 0.262 56.205 56.048 -0.176 0.000 1.165 160 H CB -0.136 29.474 29.762 -0.253 0.000 1.411 160 H HN 0.589 nan 8.280 nan 0.000 0.569 161 G N 0.749 109.563 108.800 0.024 0.000 2.153 161 G HA2 -0.299 3.662 3.960 0.002 0.000 0.252 161 G HA3 -0.299 3.662 3.960 0.002 0.000 0.252 161 G C 0.152 175.076 174.900 0.040 0.000 0.994 161 G CA 0.133 45.244 45.100 0.019 0.000 0.698 161 G HN 0.399 nan 8.290 nan 0.000 0.521 162 I N 2.869 123.472 120.570 0.057 0.000 2.325 162 I HA 0.247 4.418 4.170 0.002 0.000 0.291 162 I C -1.189 174.954 176.117 0.044 0.000 1.019 162 I CA -2.196 59.142 61.300 0.063 0.000 1.302 162 I CB 1.092 39.142 38.000 0.084 0.000 1.401 162 I HN -0.039 nan 8.210 nan 0.000 0.485 163 P HA 0.027 nan 4.420 nan 0.000 0.267 163 P C -0.831 176.482 177.300 0.021 0.000 1.200 163 P CA 0.035 63.150 63.100 0.025 0.000 0.772 163 P CB 0.819 32.534 31.700 0.025 0.000 0.855 164 V N 0.366 120.287 119.914 0.011 0.000 2.540 164 V HA 0.495 4.616 4.120 0.002 0.000 0.302 164 V C -1.902 174.190 176.094 -0.003 0.000 1.035 164 V CA -2.160 60.142 62.300 0.003 0.000 0.873 164 V CB -0.049 31.773 31.823 -0.001 0.000 0.992 164 V HN 0.447 nan 8.190 nan 0.000 0.428 172 Y N -1.931 118.347 120.300 -0.037 0.000 2.732 172 Y HA 0.671 5.222 4.550 0.002 0.000 0.342 172 Y C -0.703 175.168 175.900 -0.048 0.000 1.203 172 Y CA -1.451 56.625 58.100 -0.040 0.000 1.092 172 Y CB 0.215 38.657 38.460 -0.030 0.000 1.345 172 Y HN -0.098 nan 8.280 nan 0.000 0.458 173 S N 1.963 117.743 115.700 0.133 0.000 2.549 173 S HA 0.899 5.370 4.470 0.002 0.000 0.297 173 S C -0.836 173.755 174.600 -0.015 0.000 1.115 173 S CA -0.684 57.532 58.200 0.026 0.000 1.059 173 S CB 1.319 64.495 63.200 -0.041 0.000 1.046 173 S HN 0.731 nan 8.310 nan 0.000 0.506 174 M N 1.740 121.279 119.600 -0.101 0.000 2.796 174 M HA 0.655 5.136 4.480 0.002 0.000 0.303 174 M C -1.353 174.806 176.300 -0.235 0.000 1.240 174 M CA -0.586 54.537 55.300 -0.295 0.000 0.831 174 M CB 1.848 34.207 32.600 -0.401 0.000 1.750 174 M HN 0.813 nan 8.290 nan 0.000 0.484 175 D N 0.141 120.366 120.400 -0.292 0.000 2.931 175 D HA 0.690 5.331 4.640 0.002 0.000 0.215 175 D C -2.019 174.184 176.300 -0.162 0.000 1.297 175 D CA -0.158 53.742 54.000 -0.165 0.000 0.892 175 D CB 1.607 42.358 40.800 -0.083 0.000 1.642 175 D HN 0.800 nan 8.370 nan 0.000 0.560 176 A N 2.916 125.680 122.820 -0.094 0.000 2.454 176 A HA 0.897 5.218 4.320 0.002 0.000 0.302 176 A C -0.878 176.704 177.584 -0.003 0.000 1.079 176 A CA -0.673 51.343 52.037 -0.035 0.000 0.731 176 A CB 1.420 20.383 19.000 -0.060 0.000 1.299 176 A HN 0.735 nan 8.150 nan 0.000 0.413 177 N N -0.620 118.124 118.700 0.073 0.000 3.179 177 N HA 0.242 4.983 4.740 0.002 0.000 0.250 177 N C -0.016 175.588 175.510 0.157 0.000 1.507 177 N CA -0.823 52.242 53.050 0.025 0.000 0.883 177 N CB 0.173 38.593 38.487 -0.113 0.000 1.435 177 N HN 0.302 nan 8.380 nan 0.000 0.532 178 L N -0.350 121.009 121.223 0.227 0.000 2.189 178 L HA -0.048 4.293 4.340 0.002 0.000 0.214 178 L C 1.673 178.682 176.870 0.231 0.000 1.097 178 L CA 1.182 56.169 54.840 0.245 0.000 0.764 178 L CB -0.302 41.925 42.059 0.281 0.000 0.900 178 L HN 0.571 nan 8.230 nan 0.000 0.436 179 L N -1.479 119.916 121.223 0.287 0.000 2.162 179 L HA -0.035 4.306 4.340 0.002 0.000 0.205 179 L C 0.983 177.998 176.870 0.243 0.000 1.086 179 L CA 0.562 55.500 54.840 0.164 0.000 0.778 179 L CB 0.056 42.140 42.059 0.042 0.000 0.928 179 L HN 0.501 nan 8.230 nan 0.000 0.446 180 H N -2.336 116.824 119.070 0.151 0.000 2.888 180 H HA 0.428 4.985 4.556 0.002 0.000 0.267 180 H C -1.385 174.026 175.328 0.138 0.000 1.482 180 H CA -1.302 54.847 56.048 0.167 0.000 1.165 180 H CB 0.896 30.790 29.762 0.219 0.000 1.866 180 H HN -0.106 nan 8.280 nan 0.000 0.599 181 I N 2.003 122.464 120.570 -0.181 0.000 2.548 181 I HA 0.341 4.512 4.170 0.002 0.000 0.287 181 I C -0.363 175.384 176.117 -0.616 0.000 1.103 181 I CA -0.670 60.395 61.300 -0.393 0.000 1.049 181 I CB 2.051 39.947 38.000 -0.173 0.000 1.232 181 I HN 0.759 nan 8.210 nan 0.000 0.429 182 S N 5.276 120.523 115.700 -0.754 0.000 2.608 182 S HA 0.766 5.238 4.470 0.002 0.000 0.291 182 S C -1.234 172.916 174.600 -0.749 0.000 1.146 182 S CA -0.432 57.427 58.200 -0.568 0.000 1.043 182 S CB 1.521 64.600 63.200 -0.202 0.000 1.037 182 S HN 0.394 nan 8.310 nan 0.000 0.520 183 Y N 0.194 120.198 120.300 -0.493 0.000 2.442 183 Y HA 0.631 5.182 4.550 0.002 0.000 0.344 183 Y C 0.004 175.690 175.900 -0.357 0.000 0.976 183 Y CA -0.749 57.110 58.100 -0.402 0.000 1.040 183 Y CB 2.061 40.171 38.460 -0.582 0.000 1.228 183 Y HN 0.966 nan 8.280 nan 0.000 0.451 184 E N 0.199 120.359 120.200 -0.067 0.000 2.429 184 E HA 0.707 5.058 4.350 0.002 0.000 0.280 184 E C -0.449 176.162 176.600 0.018 0.000 1.068 184 E CA -1.162 55.203 56.400 -0.059 0.000 0.837 184 E CB 1.874 31.524 29.700 -0.083 0.000 1.357 184 E HN 0.926 nan 8.360 nan 0.000 0.455 185 G N -0.494 108.311 108.800 0.009 0.000 2.828 185 G HA2 0.240 4.201 3.960 0.002 0.000 0.463 185 G HA3 0.240 4.201 3.960 0.002 0.000 0.463 185 G C 0.710 175.644 174.900 0.057 0.000 1.394 185 G CA 0.180 45.294 45.100 0.024 0.000 0.862 185 G HN 1.800 nan 8.290 nan 0.000 0.540 186 G N -1.720 107.101 108.800 0.035 0.000 2.611 186 G HA2 -0.093 3.869 3.960 0.002 0.000 0.301 186 G HA3 -0.093 3.869 3.960 0.002 0.000 0.301 186 G C 1.458 176.385 174.900 0.046 0.000 1.233 186 G CA 2.135 47.257 45.100 0.035 0.000 0.993 186 G HN 2.087 nan 8.290 nan 0.000 0.553 187 V N 0.436 120.389 119.914 0.066 0.000 2.688 187 V HA -0.117 4.004 4.120 0.002 0.000 0.256 187 V C 2.830 178.940 176.094 0.028 0.000 1.084 187 V CA 2.239 64.569 62.300 0.050 0.000 1.103 187 V CB -0.414 31.446 31.823 0.062 0.000 0.688 187 V HN 0.469 nan 8.190 nan 0.000 0.480 188 L N -0.447 120.793 121.223 0.028 0.000 2.551 188 L HA -0.012 4.329 4.340 0.002 0.000 0.228 188 L C 2.165 179.029 176.870 -0.009 0.000 1.153 188 L CA 1.298 56.124 54.840 -0.023 0.000 0.851 188 L CB -0.826 41.199 42.059 -0.058 0.000 0.959 188 L HN 0.393 nan 8.230 nan 0.000 0.451 189 E N -1.011 119.197 120.200 0.013 0.000 2.347 189 E HA -0.124 4.227 4.350 0.002 0.000 0.196 189 E C 0.305 176.924 176.600 0.032 0.000 1.008 189 E CA 0.173 56.585 56.400 0.019 0.000 0.852 189 E CB 0.131 29.844 29.700 0.021 0.000 0.783 189 E HN 0.284 nan 8.360 nan 0.000 0.505 190 D N 0.943 121.366 120.400 0.038 0.000 2.411 190 D HA 0.021 4.662 4.640 0.002 0.000 0.225 190 D C -1.564 174.783 176.300 0.078 0.000 1.156 190 D CA -2.474 51.567 54.000 0.068 0.000 0.874 190 D CB 1.102 41.950 40.800 0.079 0.000 1.034 190 D HN -0.087 nan 8.370 nan 0.000 0.502 191 P HA -0.103 nan 4.420 nan 0.000 0.226 191 P C 1.048 178.443 177.300 0.158 0.000 1.146 191 P CA 0.565 63.724 63.100 0.099 0.000 0.773 191 P CB 0.041 31.804 31.700 0.104 0.000 0.772 192 W N 0.683 121.975 121.300 -0.014 0.000 3.114 192 W HA 0.393 5.054 4.660 0.002 0.000 0.279 192 W C -0.377 176.132 176.519 -0.017 0.000 1.277 192 W CA 0.020 57.357 57.345 -0.013 0.000 1.630 192 W CB 0.501 29.956 29.460 -0.008 0.000 1.087 192 W HN -0.186 nan 8.180 nan 0.000 0.637 193 A N 2.004 124.813 122.820 -0.018 0.000 2.289 193 A HA 0.243 4.564 4.320 0.002 0.000 0.298 193 A C -0.198 177.302 177.584 -0.140 0.000 1.208 193 A CA -0.386 51.596 52.037 -0.091 0.000 0.845 193 A CB 0.460 19.457 19.000 -0.005 0.000 1.125 193 A HN 0.372 nan 8.150 nan 0.000 0.517 194 E N 3.329 123.423 120.200 -0.176 0.000 2.373 194 E HA 0.322 4.673 4.350 0.002 0.000 0.267 194 E C -2.187 174.340 176.600 -0.123 0.000 1.032 194 E CA -1.400 54.906 56.400 -0.157 0.000 0.889 194 E CB 0.286 29.891 29.700 -0.158 0.000 0.984 194 E HN 0.419 nan 8.360 nan 0.000 0.425 195 P HA 0.029 nan 4.420 nan 0.000 0.265 195 P C -2.385 174.825 177.300 -0.150 0.000 1.187 195 P CA -0.640 62.346 63.100 -0.189 0.000 0.766 195 P CB -0.026 31.519 31.700 -0.260 0.000 0.820 196 P HA 0.035 nan 4.420 nan 0.000 0.269 196 P C -0.477 176.772 177.300 -0.085 0.000 1.215 196 P CA 0.078 63.131 63.100 -0.078 0.000 0.780 196 P CB 0.716 32.413 31.700 -0.004 0.000 0.898 197 K N 0.688 121.065 120.400 -0.039 0.000 2.414 197 K HA 0.250 4.571 4.320 0.002 0.000 0.272 197 K C 1.263 177.854 176.600 -0.015 0.000 0.993 197 K CA 0.676 56.951 56.287 -0.021 0.000 0.964 197 K CB -0.359 32.134 32.500 -0.012 0.000 0.925 197 K HN 0.826 nan 8.250 nan 0.000 0.487 198 G N 2.226 111.028 108.800 0.004 0.000 2.203 198 G HA2 -0.323 3.638 3.960 0.002 0.000 0.263 198 G HA3 -0.323 3.638 3.960 0.002 0.000 0.263 198 G C 0.560 175.448 174.900 -0.020 0.000 1.012 198 G CA 0.805 45.913 45.100 0.014 0.000 0.749 198 G HN 0.745 nan 8.290 nan 0.000 0.512 199 M N -1.003 118.507 119.600 -0.150 0.000 2.236 199 M HA 0.320 4.801 4.480 0.002 0.000 0.266 199 M C 0.990 176.994 176.300 -0.494 0.000 1.070 199 M CA 0.622 55.686 55.300 -0.394 0.000 1.137 199 M CB 0.098 32.179 32.600 -0.865 0.000 1.378 199 M HN 0.136 nan 8.290 nan 0.000 0.426 200 F N 0.840 120.584 119.950 -0.343 0.000 2.563 200 F HA 0.045 4.573 4.527 0.002 0.000 0.363 200 F C 1.445 177.229 175.800 -0.028 0.000 1.123 200 F CA 0.538 58.394 58.000 -0.240 0.000 1.307 200 F CB 0.428 39.313 39.000 -0.192 0.000 1.115 200 F HN 0.066 nan 8.300 nan 0.000 0.592 201 R N 1.341 122.005 120.500 0.274 0.000 2.350 201 R HA 0.189 4.530 4.340 0.002 0.000 0.199 201 R C 1.661 178.061 176.300 0.166 0.000 0.876 201 R CA 0.074 56.290 56.100 0.194 0.000 1.062 201 R CB 0.047 30.460 30.300 0.187 0.000 1.263 201 R HN 0.664 nan 8.270 nan 0.000 0.641 202 M N 1.237 120.961 119.600 0.207 0.000 2.447 202 M HA 0.048 4.529 4.480 0.002 0.000 0.264 202 M C -0.213 176.155 176.300 0.113 0.000 1.095 202 M CA 0.970 56.361 55.300 0.152 0.000 1.125 202 M CB 0.638 33.341 32.600 0.173 0.000 1.389 202 M HN 0.044 nan 8.290 nan 0.000 0.459 203 T N -1.866 112.753 114.554 0.108 0.000 2.876 203 T HA 0.372 4.723 4.350 0.002 0.000 0.289 203 T C -0.717 173.970 174.700 -0.022 0.000 1.014 203 T CA -0.928 61.182 62.100 0.017 0.000 0.986 203 T CB 2.138 70.973 68.868 -0.055 0.000 1.021 203 T HN 0.273 nan 8.240 nan 0.000 0.458 204 Q N 1.327 121.099 119.800 -0.046 0.000 2.394 204 Q HA 0.163 4.504 4.340 0.002 0.000 0.248 204 Q C -0.521 175.414 176.000 -0.108 0.000 0.992 204 Q CA -0.441 55.326 55.803 -0.060 0.000 0.888 204 Q CB 0.470 29.164 28.738 -0.074 0.000 1.257 204 Q HN 0.613 nan 8.270 nan 0.000 0.462 205 D N 4.255 124.598 120.400 -0.094 0.000 2.424 205 D HA 0.005 4.647 4.640 0.002 0.000 0.244 205 D C -1.746 174.475 176.300 -0.130 0.000 1.134 205 D CA -1.241 52.684 54.000 -0.126 0.000 0.881 205 D CB 1.132 41.886 40.800 -0.077 0.000 1.191 205 D HN 0.462 nan 8.370 nan 0.000 0.445 206 P HA -0.154 nan 4.420 nan 0.000 0.217 206 P C 0.857 178.075 177.300 -0.135 0.000 1.148 206 P CA 1.199 64.210 63.100 -0.149 0.000 0.828 206 P CB 0.361 31.970 31.700 -0.152 0.000 0.783 207 E N -0.645 119.491 120.200 -0.107 0.000 2.265 207 E HA -0.152 4.199 4.350 0.002 0.000 0.196 207 E C 1.391 177.945 176.600 -0.076 0.000 0.996 207 E CA 0.892 57.242 56.400 -0.083 0.000 0.832 207 E CB -0.430 29.233 29.700 -0.062 0.000 0.756 207 E HN 0.373 nan 8.360 nan 0.000 0.491 208 E N -0.254 119.898 120.200 -0.080 0.000 2.481 208 E HA 0.226 4.577 4.350 0.002 0.000 0.198 208 E C 0.196 176.743 176.600 -0.088 0.000 1.027 208 E CA 0.022 56.380 56.400 -0.069 0.000 0.900 208 E CB 0.445 30.111 29.700 -0.057 0.000 0.993 208 E HN 0.136 nan 8.360 nan 0.000 0.482 209 A N 2.879 125.630 122.820 -0.115 0.000 2.366 209 A HA 0.350 4.671 4.320 0.002 0.000 0.249 209 A C -2.230 175.284 177.584 -0.116 0.000 1.084 209 A CA -1.054 50.898 52.037 -0.141 0.000 0.794 209 A CB -0.290 18.620 19.000 -0.150 0.000 1.034 209 A HN -0.137 nan 8.150 nan 0.000 0.491 210 P HA 0.000 nan 4.420 nan 0.000 0.266 210 P C -0.137 177.201 177.300 0.065 0.000 1.193 210 P CA 0.175 63.264 63.100 -0.018 0.000 0.770 210 P CB 0.451 32.142 31.700 -0.015 0.000 0.836 211 D N 0.838 121.300 120.400 0.103 0.000 2.317 211 D HA 0.009 4.650 4.640 0.002 0.000 0.211 211 D C 0.628 177.117 176.300 0.314 0.000 0.966 211 D CA 0.733 54.850 54.000 0.195 0.000 0.876 211 D CB 0.112 40.986 40.800 0.124 0.000 0.927 211 D HN 0.336 nan 8.370 nan 0.000 0.519 212 A N 2.322 125.284 122.820 0.237 0.000 2.260 212 A HA 0.459 4.780 4.320 0.002 0.000 0.308 212 A C -2.290 175.460 177.584 0.276 0.000 1.254 212 A CA -1.239 50.923 52.037 0.209 0.000 0.874 212 A CB 0.812 19.898 19.000 0.142 0.000 1.153 212 A HN -0.120 nan 8.150 nan 0.000 0.527 213 P HA 0.188 nan 4.420 nan 0.000 0.272 213 P C -0.647 176.638 177.300 -0.024 0.000 1.223 213 P CA -0.074 63.079 63.100 0.088 0.000 0.784 213 P CB 1.034 32.651 31.700 -0.138 0.000 0.923 214 E N 1.455 121.540 120.200 -0.192 0.000 2.187 214 E HA 0.305 4.656 4.350 0.002 0.000 0.268 214 E C -1.146 175.336 176.600 -0.197 0.000 0.896 214 E CA -0.736 55.612 56.400 -0.087 0.000 0.766 214 E CB 0.788 30.493 29.700 0.008 0.000 1.142 214 E HN 0.307 nan 8.360 nan 0.000 0.408 215 Y N 1.967 122.267 120.300 0.000 0.000 2.310 215 Y HA 0.391 4.942 4.550 0.002 0.000 0.326 215 Y C -0.158 175.754 175.900 0.019 0.000 1.151 215 Y CA -0.439 57.665 58.100 0.006 0.000 1.195 215 Y CB 1.561 40.026 38.460 0.008 0.000 1.210 215 Y HN 0.207 nan 8.280 nan 0.000 0.483 216 V N 1.903 121.908 119.914 0.151 0.000 2.709 216 V HA 0.472 4.593 4.120 0.002 0.000 0.308 216 V C -0.792 175.373 176.094 0.118 0.000 1.062 216 V CA -1.348 61.021 62.300 0.115 0.000 0.901 216 V CB 1.938 33.810 31.823 0.081 0.000 1.003 216 V HN 0.682 nan 8.190 nan 0.000 0.425 217 E N 2.155 122.415 120.200 0.100 0.000 2.176 217 E HA 0.682 5.033 4.350 0.002 0.000 0.267 217 E C -1.556 175.094 176.600 0.084 0.000 0.893 217 E CA -0.689 55.767 56.400 0.093 0.000 0.761 217 E CB 2.772 32.517 29.700 0.076 0.000 1.133 217 E HN 0.493 nan 8.360 nan 0.000 0.409 218 V N 2.864 122.845 119.914 0.113 0.000 2.444 218 V HA 0.198 4.319 4.120 0.002 0.000 0.294 218 V C -0.133 176.046 176.094 0.143 0.000 1.022 218 V CA -0.737 61.621 62.300 0.097 0.000 0.850 218 V CB 1.614 33.526 31.823 0.149 0.000 0.992 218 V HN 0.659 nan 8.190 nan 0.000 0.426 219 E N 3.735 123.956 120.200 0.035 0.000 2.227 219 E HA 0.473 4.824 4.350 0.002 0.000 0.282 219 E C -1.686 174.899 176.600 -0.025 0.000 1.015 219 E CA -0.473 55.974 56.400 0.078 0.000 0.823 219 E CB 0.923 30.648 29.700 0.042 0.000 1.081 219 E HN 0.492 nan 8.360 nan 0.000 0.396 220 F N 4.226 124.183 119.950 0.011 0.000 2.444 220 F HA 0.379 4.907 4.527 0.002 0.000 0.342 220 F C -0.541 175.305 175.800 0.076 0.000 1.121 220 F CA -0.771 57.226 58.000 -0.004 0.000 0.997 220 F CB 1.125 40.083 39.000 -0.070 0.000 1.130 220 F HN 0.376 nan 8.300 nan 0.000 0.454 221 F N 3.686 123.658 119.950 0.038 0.000 2.496 221 F HA 0.394 4.922 4.527 0.002 0.000 0.341 221 F C 0.097 175.910 175.800 0.021 0.000 1.134 221 F CA -1.398 56.618 58.000 0.026 0.000 0.968 221 F CB 0.556 39.555 39.000 -0.002 0.000 1.205 221 F HN 0.766 nan 8.300 nan 0.000 0.436 222 E N 3.273 123.217 120.200 -0.426 0.000 2.957 222 E HA -0.197 4.154 4.350 0.002 0.000 0.287 222 E C 1.049 177.579 176.600 -0.116 0.000 0.976 222 E CA 0.642 56.836 56.400 -0.343 0.000 0.907 222 E CB -1.603 27.803 29.700 -0.491 0.000 1.456 222 E HN 1.322 nan 8.360 nan 0.000 0.421 223 G N -0.511 108.270 108.800 -0.030 0.000 2.217 223 G HA2 -0.253 3.708 3.960 0.002 0.000 0.246 223 G HA3 -0.253 3.708 3.960 0.002 0.000 0.246 223 G C -0.237 174.698 174.900 0.058 0.000 0.990 223 G CA 0.283 45.386 45.100 0.005 0.000 0.627 223 G HN 0.310 nan 8.290 nan 0.000 0.522 224 D N 1.688 122.087 120.400 -0.001 0.000 2.350 224 D HA 0.485 5.126 4.640 0.002 0.000 0.245 224 D C -2.604 173.396 176.300 -0.500 0.000 1.036 224 D CA -1.246 52.578 54.000 -0.294 0.000 0.848 224 D CB 2.477 43.178 40.800 -0.164 0.000 1.307 224 D HN 0.123 nan 8.370 nan 0.000 0.469 225 P HA 0.010 nan 4.420 nan 0.000 0.271 225 P C 0.659 177.728 177.300 -0.385 0.000 1.220 225 P CA -0.226 62.248 63.100 -1.044 0.000 0.768 225 P CB 1.263 32.342 31.700 -1.035 0.000 0.848 226 V N -0.106 119.659 119.914 -0.248 0.000 3.548 226 V HA 0.680 4.801 4.120 0.002 0.000 0.279 226 V C 0.370 176.428 176.094 -0.061 0.000 1.446 226 V CA 0.232 62.487 62.300 -0.075 0.000 1.023 226 V CB -0.066 31.741 31.823 -0.027 0.000 0.820 226 V HN 0.631 nan 8.190 nan 0.000 0.438 227 A N -0.213 122.555 122.820 -0.088 0.000 2.589 227 A HA 0.811 5.132 4.320 0.002 0.000 0.296 227 A C -1.328 176.235 177.584 -0.036 0.000 1.062 227 A CA -0.411 51.601 52.037 -0.042 0.000 0.686 227 A CB 2.197 21.183 19.000 -0.022 0.000 1.282 227 A HN 0.486 nan 8.150 nan 0.000 0.404 228 V N 2.868 122.778 119.914 -0.007 0.000 2.407 228 V HA 0.381 4.502 4.120 0.002 0.000 0.291 228 V C -0.146 175.964 176.094 0.027 0.000 1.018 228 V CA -0.686 61.623 62.300 0.014 0.000 0.842 228 V CB 1.213 33.050 31.823 0.023 0.000 0.996 228 V HN 0.967 nan 8.190 nan 0.000 0.426 229 N N 4.196 122.919 118.700 0.038 0.000 2.727 229 N HA -0.222 4.519 4.740 0.002 0.000 0.249 229 N C 1.220 176.747 175.510 0.028 0.000 1.048 229 N CA 1.578 54.653 53.050 0.040 0.000 0.714 229 N CB -1.111 37.405 38.487 0.048 0.000 0.959 229 N HN 1.520 nan 8.380 nan 0.000 0.544 230 G N -0.633 108.180 108.800 0.022 0.000 2.234 230 G HA2 -0.371 3.590 3.960 0.002 0.000 0.260 230 G HA3 -0.371 3.590 3.960 0.002 0.000 0.260 230 G C -0.161 174.744 174.900 0.007 0.000 0.987 230 G CA 0.650 45.758 45.100 0.014 0.000 0.625 230 G HN 0.679 nan 8.290 nan 0.000 0.532 231 E N 1.460 121.665 120.200 0.010 0.000 2.130 231 E HA 0.422 4.774 4.350 0.002 0.000 0.284 231 E C 0.501 177.101 176.600 -0.000 0.000 1.018 231 E CA -0.936 55.468 56.400 0.006 0.000 0.817 231 E CB 0.349 30.057 29.700 0.012 0.000 1.078 231 E HN 0.197 nan 8.360 nan 0.000 0.396 232 R N 4.200 124.695 120.500 -0.007 0.000 2.489 232 R HA 0.264 4.605 4.340 0.002 0.000 0.287 232 R C -0.337 175.961 176.300 -0.004 0.000 1.053 232 R CA 0.141 56.232 56.100 -0.014 0.000 1.036 232 R CB -0.016 30.270 30.300 -0.023 0.000 0.966 232 R HN 0.534 nan 8.270 nan 0.000 0.432 233 L N 0.981 122.204 121.223 0.001 0.000 2.445 233 L HA 0.278 4.619 4.340 0.002 0.000 0.262 233 L C 0.381 177.264 176.870 0.023 0.000 0.974 233 L CA -0.935 53.912 54.840 0.013 0.000 0.822 233 L CB 2.239 44.309 42.059 0.019 0.000 1.339 233 L HN 0.672 nan 8.230 nan 0.000 0.409 234 S N 0.969 116.679 115.700 0.017 0.000 2.576 234 S HA 0.214 4.685 4.470 0.002 0.000 0.272 234 S C -1.969 172.636 174.600 0.007 0.000 1.352 234 S CA -0.773 57.434 58.200 0.011 0.000 1.021 234 S CB 0.769 63.968 63.200 -0.002 0.000 0.887 234 S HN 0.448 nan 8.310 nan 0.000 0.542 235 P HA -0.189 nan 4.420 nan 0.000 0.217 235 P C 1.607 178.807 177.300 -0.166 0.000 1.162 235 P CA 2.367 65.342 63.100 -0.208 0.000 0.901 235 P CB -0.244 31.081 31.700 -0.625 0.000 0.793 236 A N -0.667 122.078 122.820 -0.125 0.000 1.929 236 A HA -0.024 4.297 4.320 0.002 0.000 0.216 236 A C 2.292 179.875 177.584 -0.001 0.000 1.176 236 A CA 1.835 53.840 52.037 -0.054 0.000 0.628 236 A CB -1.528 17.462 19.000 -0.018 0.000 0.816 236 A HN 0.191 nan 8.150 nan 0.000 0.444 237 A N -0.395 122.428 122.820 0.004 0.000 1.930 237 A HA -0.025 4.296 4.320 0.002 0.000 0.217 237 A C 2.175 179.779 177.584 0.033 0.000 1.175 237 A CA 1.451 53.500 52.037 0.020 0.000 0.627 237 A CB -0.535 18.475 19.000 0.017 0.000 0.815 237 A HN 0.587 nan 8.150 nan 0.000 0.443 238 L N -0.928 120.321 121.223 0.044 0.000 2.109 238 L HA -0.019 4.322 4.340 0.002 0.000 0.207 238 L C 2.335 179.249 176.870 0.073 0.000 1.086 238 L CA 0.944 55.820 54.840 0.061 0.000 0.760 238 L CB -0.100 42.012 42.059 0.089 0.000 0.910 238 L HN 0.431 nan 8.230 nan 0.000 0.437 239 L N -0.490 120.782 121.223 0.082 0.000 2.109 239 L HA -0.213 4.128 4.340 0.002 0.000 0.207 239 L C 2.550 179.463 176.870 0.073 0.000 1.086 239 L CA 1.354 56.246 54.840 0.086 0.000 0.760 239 L CB -0.199 41.903 42.059 0.071 0.000 0.910 239 L HN 0.430 nan 8.230 nan 0.000 0.437 240 Q N 0.485 120.322 119.800 0.061 0.000 2.050 240 Q HA -0.280 4.062 4.340 0.002 0.000 0.202 240 Q C 2.153 178.188 176.000 0.058 0.000 0.980 240 Q CA 1.949 57.788 55.803 0.059 0.000 0.840 240 Q CB -0.243 28.524 28.738 0.047 0.000 0.898 240 Q HN 0.193 nan 8.270 nan 0.000 0.424 241 R N 0.011 120.543 120.500 0.053 0.000 2.083 241 R HA -0.051 4.290 4.340 0.002 0.000 0.237 241 R C 2.076 178.413 176.300 0.063 0.000 1.137 241 R CA 1.826 57.957 56.100 0.053 0.000 0.951 241 R CB -0.834 29.493 30.300 0.046 0.000 0.851 241 R HN 0.466 nan 8.270 nan 0.000 0.434 242 L N 0.558 121.821 121.223 0.067 0.000 2.376 242 L HA -0.064 4.277 4.340 0.002 0.000 0.219 242 L C 1.556 178.477 176.870 0.084 0.000 1.133 242 L CA 0.687 55.573 54.840 0.076 0.000 0.816 242 L CB -0.473 41.631 42.059 0.075 0.000 0.933 242 L HN 0.234 nan 8.230 nan 0.000 0.449 243 N N 0.243 118.992 118.700 0.081 0.000 2.250 243 N HA -0.125 4.616 4.740 0.002 0.000 0.181 243 N C 1.692 177.248 175.510 0.077 0.000 1.017 243 N CA 0.969 54.071 53.050 0.086 0.000 0.866 243 N CB 0.063 38.603 38.487 0.088 0.000 0.985 243 N HN 0.414 nan 8.380 nan 0.000 0.429 244 E N 0.718 120.960 120.200 0.069 0.000 2.028 244 E HA -0.047 4.304 4.350 0.002 0.000 0.191 244 E C 1.996 178.639 176.600 0.070 0.000 0.988 244 E CA 0.719 57.154 56.400 0.059 0.000 0.799 244 E CB -0.021 29.709 29.700 0.051 0.000 0.755 244 E HN 0.293 nan 8.360 nan 0.000 0.447 245 I N 0.851 121.476 120.570 0.092 0.000 2.113 245 I HA -0.191 3.980 4.170 0.002 0.000 0.238 245 I C 2.610 178.847 176.117 0.201 0.000 1.070 245 I CA 1.393 62.776 61.300 0.139 0.000 1.332 245 I CB -0.707 37.368 38.000 0.125 0.000 1.044 245 I HN 0.187 nan 8.210 nan 0.000 0.402 246 G N 0.312 109.201 108.800 0.149 0.000 2.422 246 G HA2 -0.152 3.809 3.960 0.002 0.000 0.218 246 G HA3 -0.152 3.809 3.960 0.002 0.000 0.218 246 G C 1.694 176.668 174.900 0.123 0.000 1.140 246 G CA 0.779 45.968 45.100 0.148 0.000 0.775 246 G HN 0.517 nan 8.290 nan 0.000 0.545 247 G N 0.420 109.271 108.800 0.085 0.000 2.418 247 G HA2 -0.222 3.739 3.960 0.002 0.000 0.217 247 G HA3 -0.222 3.739 3.960 0.002 0.000 0.217 247 G C 1.763 176.664 174.900 0.000 0.000 1.158 247 G CA 0.941 46.068 45.100 0.045 0.000 0.771 247 G HN 0.476 nan 8.290 nan 0.000 0.545 248 R N -0.312 120.173 120.500 -0.024 0.000 2.159 248 R HA -0.098 4.244 4.340 0.002 0.000 0.237 248 R C 1.677 177.802 176.300 -0.292 0.000 1.131 248 R CA 1.361 57.366 56.100 -0.159 0.000 0.982 248 R CB -0.222 29.948 30.300 -0.216 0.000 0.868 248 R HN 0.526 nan 8.270 nan 0.000 0.453 249 H N -1.810 117.243 119.070 -0.028 0.000 2.529 249 H HA 0.264 4.821 4.556 0.002 0.000 0.277 249 H C 0.814 176.087 175.328 -0.091 0.000 1.004 249 H CA 0.542 56.556 56.048 -0.058 0.000 1.167 249 H CB 1.162 30.904 29.762 -0.034 0.000 1.445 249 H HN 0.454 nan 8.280 nan 0.000 0.554 250 G N 0.822 109.609 108.800 -0.021 0.000 2.179 250 G HA2 -0.294 3.667 3.960 0.002 0.000 0.257 250 G HA3 -0.294 3.667 3.960 0.002 0.000 0.257 250 G C 0.111 174.957 174.900 -0.089 0.000 1.010 250 G CA 0.365 45.410 45.100 -0.091 0.000 0.736 250 G HN 0.265 nan 8.290 nan 0.000 0.513 251 V N -0.233 119.672 119.914 -0.016 0.000 2.775 251 V HA 0.585 4.706 4.120 0.002 0.000 0.299 251 V C 1.707 177.799 176.094 -0.003 0.000 1.062 251 V CA 1.466 63.760 62.300 -0.009 0.000 1.063 251 V CB 1.295 33.139 31.823 0.036 0.000 0.994 251 V HN 1.992 nan 8.190 nan 0.000 0.483 252 G N 3.930 112.733 108.800 0.005 0.000 2.165 252 G HA2 -0.197 3.764 3.960 0.002 0.000 0.226 252 G HA3 -0.197 3.764 3.960 0.002 0.000 0.226 252 G C 0.025 174.954 174.900 0.049 0.000 1.035 252 G CA -0.273 44.855 45.100 0.046 0.000 0.744 252 G HN 0.637 nan 8.290 nan 0.000 0.501 253 R N -0.562 119.918 120.500 -0.032 0.000 2.312 253 R HA 0.638 4.979 4.340 0.002 0.000 0.311 253 R C -0.348 175.975 176.300 0.039 0.000 1.004 253 R CA -0.590 55.486 56.100 -0.040 0.000 0.902 253 R CB 2.151 32.261 30.300 -0.318 0.000 1.073 253 R HN 0.100 nan 8.270 nan 0.000 0.457 254 V N 2.130 122.133 119.914 0.149 0.000 2.789 254 V HA 0.244 4.365 4.120 0.002 0.000 0.311 254 V C -0.841 175.324 176.094 0.118 0.000 1.073 254 V CA -0.726 61.646 62.300 0.119 0.000 0.921 254 V CB 2.310 34.282 31.823 0.248 0.000 1.009 254 V HN 0.703 nan 8.190 nan 0.000 0.426 255 D N 4.486 124.877 120.400 -0.015 0.000 2.421 255 D HA 0.534 5.175 4.640 0.002 0.000 0.254 255 D C -0.909 175.348 176.300 -0.071 0.000 1.238 255 D CA -0.116 53.863 54.000 -0.035 0.000 0.919 255 D CB 1.311 42.070 40.800 -0.068 0.000 1.152 255 D HN 0.617 nan 8.370 nan 0.000 0.552 256 I N -0.435 120.141 120.570 0.009 0.000 2.969 256 I HA 0.623 4.794 4.170 0.002 0.000 0.307 256 I C -1.299 174.850 176.117 0.053 0.000 1.149 256 I CA -1.079 60.236 61.300 0.025 0.000 1.008 256 I CB 2.379 40.440 38.000 0.102 0.000 1.232 256 I HN -0.086 nan 8.210 nan 0.000 0.435 257 V N 3.887 123.834 119.914 0.054 0.000 2.328 257 V HA 0.306 4.427 4.120 0.002 0.000 0.278 257 V C 0.122 176.266 176.094 0.084 0.000 1.021 257 V CA -0.294 62.045 62.300 0.064 0.000 0.838 257 V CB 0.901 32.759 31.823 0.058 0.000 0.999 257 V HN 0.893 nan 8.190 nan 0.000 0.447 258 E N 4.715 124.981 120.200 0.109 0.000 2.232 258 E HA 0.436 4.787 4.350 0.002 0.000 0.265 258 E C -0.902 175.797 176.600 0.165 0.000 1.001 258 E CA -1.030 55.446 56.400 0.126 0.000 0.870 258 E CB 1.505 31.305 29.700 0.167 0.000 1.175 258 E HN 0.476 nan 8.360 nan 0.000 0.407 259 N N 1.799 120.609 118.700 0.183 0.000 2.434 259 N HA 0.190 4.931 4.740 0.002 0.000 0.272 259 N C -0.504 175.266 175.510 0.433 0.000 1.040 259 N CA -0.272 52.928 53.050 0.250 0.000 0.956 259 N CB 1.218 39.833 38.487 0.213 0.000 1.108 259 N HN 0.334 nan 8.380 nan 0.000 0.481 260 R N 0.889 121.635 120.500 0.409 0.000 2.528 260 R HA 0.203 4.544 4.340 0.002 0.000 0.271 260 R C 0.930 177.556 176.300 0.544 0.000 1.056 260 R CA -0.581 55.824 56.100 0.508 0.000 1.117 260 R CB 0.711 31.187 30.300 0.293 0.000 1.085 260 R HN 0.460 nan 8.270 nan 0.000 0.530 261 F N 1.133 121.278 119.950 0.326 0.000 2.187 261 F HA 0.066 4.594 4.527 0.002 0.000 0.295 261 F C 0.502 176.310 175.800 0.015 0.000 1.091 261 F CA 0.740 58.792 58.000 0.088 0.000 1.308 261 F CB 0.551 39.552 39.000 0.002 0.000 1.030 261 F HN 0.044 nan 8.300 nan 0.000 0.487 262 V N 1.176 121.125 119.914 0.059 0.000 2.350 262 V HA 0.667 4.788 4.120 0.002 0.000 0.285 262 V C 0.238 176.346 176.094 0.024 0.000 1.014 262 V CA 0.186 62.449 62.300 -0.061 0.000 0.831 262 V CB 0.373 32.151 31.823 -0.076 0.000 1.000 262 V HN 0.662 nan 8.190 nan 0.000 0.433 263 G N 5.160 113.972 108.800 0.020 0.000 2.409 263 G HA2 -0.042 3.919 3.960 0.002 0.000 0.421 263 G HA3 -0.042 3.919 3.960 0.002 0.000 0.421 263 G C -0.352 174.594 174.900 0.076 0.000 1.259 263 G CA -0.212 44.915 45.100 0.045 0.000 1.011 263 G HN 0.321 nan 8.290 nan 0.000 0.497 264 M N -0.065 119.582 119.600 0.078 0.000 1.940 264 M HA 0.434 4.915 4.480 0.002 0.000 0.160 264 M C 1.080 177.452 176.300 0.120 0.000 1.472 264 M CA 1.090 56.445 55.300 0.091 0.000 1.335 264 M CB -1.041 31.599 32.600 0.067 0.000 0.822 264 M HN 0.549 nan 8.290 nan 0.000 0.567 265 K N 0.339 120.799 120.400 0.100 0.000 2.267 265 K HA 0.526 4.847 4.320 0.002 0.000 0.246 265 K C -0.854 175.803 176.600 0.094 0.000 0.954 265 K CA -0.513 55.840 56.287 0.110 0.000 0.824 265 K CB 2.044 34.598 32.500 0.089 0.000 1.167 265 K HN 0.525 nan 8.250 nan 0.000 0.431 266 S N 0.794 116.555 115.700 0.102 0.000 2.540 266 S HA 0.400 4.871 4.470 0.002 0.000 0.275 266 S C -0.991 173.645 174.600 0.061 0.000 1.123 266 S CA -1.096 57.149 58.200 0.075 0.000 0.907 266 S CB 1.865 65.112 63.200 0.078 0.000 1.081 266 S HN 0.499 nan 8.310 nan 0.000 0.476 267 R N 1.534 122.051 120.500 0.028 0.000 2.202 267 R HA 0.575 4.916 4.340 0.002 0.000 0.334 267 R C -0.027 176.243 176.300 -0.050 0.000 1.036 267 R CA 0.030 56.131 56.100 0.002 0.000 0.878 267 R CB 0.518 30.816 30.300 -0.004 0.000 1.067 267 R HN 1.001 nan 8.270 nan 0.000 0.457 268 G N 1.913 110.668 108.800 -0.074 0.000 2.524 268 G HA2 0.536 4.498 3.960 0.002 0.000 0.310 268 G HA3 0.536 4.498 3.960 0.002 0.000 0.310 268 G C -1.423 173.244 174.900 -0.387 0.000 1.279 268 G CA -0.390 44.544 45.100 -0.275 0.000 0.974 268 G HN 0.362 nan 8.290 nan 0.000 0.484 269 V N 1.288 120.860 119.914 -0.570 0.000 2.540 269 V HA 0.561 4.682 4.120 0.002 0.000 0.302 269 V C -1.242 174.588 176.094 -0.439 0.000 1.035 269 V CA -0.705 61.381 62.300 -0.356 0.000 0.873 269 V CB 1.004 32.636 31.823 -0.318 0.000 0.992 269 V HN 0.679 nan 8.190 nan 0.000 0.428 270 Y N 2.109 122.531 120.300 0.203 0.000 2.462 270 Y HA 0.627 5.178 4.550 0.002 0.000 0.346 270 Y C 0.190 176.285 175.900 0.326 0.000 0.976 270 Y CA -1.051 57.207 58.100 0.264 0.000 1.044 270 Y CB 2.011 40.682 38.460 0.351 0.000 1.230 270 Y HN 0.732 nan 8.280 nan 0.000 0.455 271 E N 0.187 120.674 120.200 0.480 0.000 2.216 271 E HA 0.569 4.920 4.350 0.002 0.000 0.260 271 E C -1.353 175.442 176.600 0.325 0.000 0.880 271 E CA -1.015 55.606 56.400 0.368 0.000 0.765 271 E CB 1.615 31.562 29.700 0.413 0.000 1.174 271 E HN 0.533 nan 8.360 nan 0.000 0.417 272 T N 4.958 119.666 114.554 0.257 0.000 3.504 272 T HA 0.204 4.556 4.350 0.002 0.000 0.286 272 T C -1.914 172.872 174.700 0.144 0.000 1.530 272 T CA -1.166 61.067 62.100 0.222 0.000 1.652 272 T CB 0.829 69.816 68.868 0.199 0.000 0.895 272 T HN 0.379 nan 8.240 nan 0.000 0.674 273 P HA -0.146 nan 4.420 nan 0.000 0.213 273 P C 1.869 179.229 177.300 0.100 0.000 1.170 273 P CA 1.375 64.535 63.100 0.100 0.000 0.902 273 P CB -0.077 31.678 31.700 0.093 0.000 0.789 274 G N -0.237 108.625 108.800 0.103 0.000 2.418 274 G HA2 -0.188 3.773 3.960 0.002 0.000 0.217 274 G HA3 -0.188 3.773 3.960 0.002 0.000 0.217 274 G C 1.955 176.910 174.900 0.092 0.000 1.158 274 G CA 1.023 46.180 45.100 0.096 0.000 0.771 274 G HN 0.423 nan 8.290 nan 0.000 0.545 275 G N -0.006 108.846 108.800 0.087 0.000 2.422 275 G HA2 -0.099 3.862 3.960 0.002 0.000 0.218 275 G HA3 -0.099 3.862 3.960 0.002 0.000 0.218 275 G C 1.804 176.747 174.900 0.070 0.000 1.140 275 G CA 1.653 46.794 45.100 0.069 0.000 0.775 275 G HN 0.385 nan 8.290 nan 0.000 0.545 276 T N 1.187 115.784 114.554 0.072 0.000 2.821 276 T HA 0.014 4.365 4.350 0.002 0.000 0.267 276 T C 2.367 177.136 174.700 0.115 0.000 1.046 276 T CA 0.686 62.821 62.100 0.060 0.000 1.139 276 T CB -0.080 68.838 68.868 0.084 0.000 0.871 276 T HN 0.254 nan 8.240 nan 0.000 0.454 277 I N 0.656 121.308 120.570 0.136 0.000 2.202 277 I HA -0.102 4.069 4.170 0.002 0.000 0.242 277 I C 2.247 178.454 176.117 0.151 0.000 1.091 277 I CA 1.124 62.520 61.300 0.161 0.000 1.368 277 I CB -0.376 37.698 38.000 0.124 0.000 1.058 277 I HN 0.183 nan 8.210 nan 0.000 0.410 278 L N -0.414 120.887 121.223 0.130 0.000 2.079 278 L HA -0.279 4.062 4.340 0.002 0.000 0.210 278 L C 2.680 179.606 176.870 0.094 0.000 1.081 278 L CA 1.523 56.459 54.840 0.160 0.000 0.752 278 L CB -0.744 41.381 42.059 0.111 0.000 0.896 278 L HN 0.255 nan 8.230 nan 0.000 0.433 279 Y N 0.409 120.649 120.300 -0.101 0.000 2.053 279 Y HA -0.348 4.203 4.550 0.002 0.000 0.277 279 Y C 2.913 178.652 175.900 -0.268 0.000 1.159 279 Y CA 2.038 59.994 58.100 -0.241 0.000 1.125 279 Y CB -0.337 37.882 38.460 -0.402 0.000 0.969 279 Y HN 0.208 nan 8.280 nan 0.000 0.492 280 H N -0.600 118.491 119.070 0.034 0.000 2.389 280 H HA -0.029 4.528 4.556 0.002 0.000 0.299 280 H C 2.363 177.609 175.328 -0.137 0.000 1.081 280 H CA 1.145 57.156 56.048 -0.062 0.000 1.345 280 H CB -0.898 28.895 29.762 0.052 0.000 1.393 280 H HN 0.517 nan 8.280 nan 0.000 0.520 281 A N 1.470 124.310 122.820 0.034 0.000 1.908 281 A HA -0.217 4.104 4.320 0.002 0.000 0.218 281 A C 2.538 179.905 177.584 -0.361 0.000 1.181 281 A CA 1.746 53.780 52.037 -0.006 0.000 0.627 281 A CB -0.556 18.585 19.000 0.235 0.000 0.818 281 A HN 0.341 nan 8.150 nan 0.000 0.445 282 R N -0.402 119.776 120.500 -0.536 0.000 2.073 282 R HA -0.125 4.216 4.340 0.002 0.000 0.234 282 R C 2.369 178.300 176.300 -0.615 0.000 1.134 282 R CA 1.621 57.159 56.100 -0.937 0.000 0.952 282 R CB -0.272 29.668 30.300 -0.600 0.000 0.850 282 R HN 0.511 nan 8.270 nan 0.000 0.433 283 R N -0.071 120.143 120.500 -0.476 0.000 2.120 283 R HA -0.073 4.269 4.340 0.002 0.000 0.234 283 R C 2.271 178.423 176.300 -0.247 0.000 1.123 283 R CA 1.117 57.007 56.100 -0.350 0.000 0.975 283 R CB -0.313 29.787 30.300 -0.333 0.000 0.866 283 R HN 0.295 nan 8.270 nan 0.000 0.446 284 A N 0.874 123.560 122.820 -0.224 0.000 1.902 284 A HA -0.092 4.229 4.320 0.002 0.000 0.217 284 A C 2.342 179.817 177.584 -0.182 0.000 1.181 284 A CA 1.272 53.215 52.037 -0.155 0.000 0.623 284 A CB -0.350 18.591 19.000 -0.099 0.000 0.818 284 A HN 0.107 nan 8.150 nan 0.000 0.443 285 V N 0.168 119.918 119.914 -0.274 0.000 2.548 285 V HA -0.195 3.926 4.120 0.002 0.000 0.249 285 V C 2.224 178.186 176.094 -0.219 0.000 1.055 285 V CA 1.956 64.108 62.300 -0.247 0.000 1.065 285 V CB -0.806 30.805 31.823 -0.353 0.000 0.681 285 V HN 0.635 nan 8.190 nan 0.000 0.462 286 E N 0.980 121.026 120.200 -0.256 0.000 2.204 286 E HA -0.151 4.200 4.350 0.002 0.000 0.194 286 E C 2.278 178.798 176.600 -0.134 0.000 0.989 286 E CA 1.337 57.620 56.400 -0.195 0.000 0.824 286 E CB -0.225 29.351 29.700 -0.207 0.000 0.756 286 E HN 0.744 nan 8.360 nan 0.000 0.477 287 S N 0.594 116.216 115.700 -0.129 0.000 2.469 287 S HA -0.088 4.383 4.470 0.002 0.000 0.238 287 S C 1.829 176.385 174.600 -0.075 0.000 0.998 287 S CA 0.763 58.908 58.200 -0.092 0.000 0.957 287 S CB -0.131 63.011 63.200 -0.096 0.000 0.764 287 S HN 0.205 nan 8.310 nan 0.000 0.514 288 L N 0.804 121.979 121.223 -0.080 0.000 2.642 288 L HA 0.163 4.504 4.340 0.002 0.000 0.233 288 L C 2.556 179.406 176.870 -0.034 0.000 1.077 288 L CA 0.964 55.779 54.840 -0.041 0.000 0.879 288 L CB -0.244 41.789 42.059 -0.043 0.000 1.151 288 L HN 0.504 nan 8.230 nan 0.000 0.495 289 T N -2.665 111.848 114.554 -0.068 0.000 3.040 289 T HA 0.246 4.597 4.350 0.002 0.000 0.252 289 T C 0.783 175.434 174.700 -0.082 0.000 1.064 289 T CA -0.041 62.014 62.100 -0.075 0.000 1.110 289 T CB 0.066 68.875 68.868 -0.099 0.000 0.921 289 T HN -0.052 nan 8.240 nan 0.000 0.480 290 L N 2.611 123.782 121.223 -0.087 0.000 2.334 290 L HA 0.420 4.761 4.340 0.002 0.000 0.277 290 L C 0.309 177.137 176.870 -0.070 0.000 1.075 290 L CA -0.976 53.813 54.840 -0.085 0.000 0.804 290 L CB 1.060 43.066 42.059 -0.089 0.000 1.174 290 L HN 0.313 nan 8.230 nan 0.000 0.438 291 D N 2.643 123.000 120.400 -0.071 0.000 2.372 291 D HA -0.017 4.624 4.640 0.002 0.000 0.243 291 D C 0.991 177.224 176.300 -0.112 0.000 1.121 291 D CA -0.205 53.750 54.000 -0.075 0.000 0.898 291 D CB 1.270 42.033 40.800 -0.061 0.000 1.202 291 D HN 0.518 nan 8.370 nan 0.000 0.428 292 R N 2.069 122.477 120.500 -0.154 0.000 2.097 292 R HA -0.183 4.158 4.340 0.002 0.000 0.236 292 R C 1.586 177.597 176.300 -0.482 0.000 1.135 292 R CA 1.519 57.431 56.100 -0.314 0.000 0.934 292 R CB -0.012 30.116 30.300 -0.286 0.000 0.846 292 R HN 0.528 nan 8.270 nan 0.000 0.431 293 E N 0.126 120.154 120.200 -0.286 0.000 2.153 293 E HA -0.138 4.213 4.350 0.002 0.000 0.194 293 E C 2.107 178.669 176.600 -0.064 0.000 0.988 293 E CA 1.077 57.369 56.400 -0.181 0.000 0.811 293 E CB -0.237 29.418 29.700 -0.075 0.000 0.746 293 E HN 0.253 nan 8.360 nan 0.000 0.466 294 V N 1.457 121.346 119.914 -0.042 0.000 2.307 294 V HA -0.226 3.895 4.120 0.002 0.000 0.245 294 V C 2.454 178.587 176.094 0.065 0.000 1.045 294 V CA 1.440 63.762 62.300 0.037 0.000 1.024 294 V CB -0.507 31.317 31.823 0.003 0.000 0.651 294 V HN 0.169 nan 8.190 nan 0.000 0.449 295 L N -0.067 121.160 121.223 0.006 0.000 2.046 295 L HA -0.203 4.138 4.340 0.002 0.000 0.208 295 L C 2.379 179.365 176.870 0.193 0.000 1.077 295 L CA 2.118 57.000 54.840 0.070 0.000 0.747 295 L CB -0.893 41.193 42.059 0.046 0.000 0.896 295 L HN 0.458 nan 8.230 nan 0.000 0.432 296 H N -1.851 117.243 119.070 0.040 0.000 2.353 296 H HA -0.182 4.375 4.556 0.002 0.000 0.300 296 H C 2.126 177.485 175.328 0.050 0.000 1.090 296 H CA 1.010 57.080 56.048 0.037 0.000 1.327 296 H CB 0.209 29.985 29.762 0.025 0.000 1.383 296 H HN 0.409 nan 8.280 nan 0.000 0.508 297 Q N 1.213 121.127 119.800 0.189 0.000 2.016 297 Q HA -0.144 4.197 4.340 0.002 0.000 0.200 297 Q C 2.411 178.501 176.000 0.150 0.000 0.978 297 Q CA 1.177 57.050 55.803 0.116 0.000 0.833 297 Q CB -0.098 28.697 28.738 0.095 0.000 0.895 297 Q HN 0.102 nan 8.270 nan 0.000 0.427 298 R N 0.465 121.133 120.500 0.281 0.000 2.094 298 R HA -0.163 4.178 4.340 0.002 0.000 0.239 298 R C 1.358 177.847 176.300 0.315 0.000 1.137 298 R CA 2.113 58.459 56.100 0.409 0.000 0.943 298 R CB -0.861 29.637 30.300 0.331 0.000 0.850 298 R HN 0.397 nan 8.270 nan 0.000 0.433 299 D N 0.066 120.582 120.400 0.194 0.000 2.218 299 D HA -0.133 4.508 4.640 0.002 0.000 0.204 299 D C 1.868 178.235 176.300 0.111 0.000 0.976 299 D CA 1.075 55.152 54.000 0.129 0.000 0.853 299 D CB -0.124 40.724 40.800 0.079 0.000 0.939 299 D HN 0.318 nan 8.370 nan 0.000 0.481 300 M N -0.537 119.124 119.600 0.101 0.000 2.492 300 M HA 0.021 4.502 4.480 0.002 0.000 0.262 300 M C 1.610 177.959 176.300 0.081 0.000 1.090 300 M CA 0.591 55.929 55.300 0.063 0.000 1.110 300 M CB 0.290 32.909 32.600 0.032 0.000 1.407 300 M HN -0.009 nan 8.290 nan 0.000 0.470 301 L N -1.735 119.575 121.223 0.145 0.000 2.463 301 L HA 0.065 4.406 4.340 0.002 0.000 0.219 301 L C 2.346 179.453 176.870 0.395 0.000 1.088 301 L CA 0.048 55.008 54.840 0.200 0.000 0.849 301 L CB -0.144 41.955 42.059 0.066 0.000 1.012 301 L HN 0.121 nan 8.230 nan 0.000 0.468 302 S N 0.838 116.747 115.700 0.347 0.000 2.374 302 S HA -0.124 4.347 4.470 0.002 0.000 0.227 302 S C -0.585 174.110 174.600 0.158 0.000 1.037 302 S CA 1.670 59.973 58.200 0.173 0.000 1.024 302 S CB -0.926 62.301 63.200 0.045 0.000 0.861 302 S HN 0.278 nan 8.310 nan 0.000 0.456 303 P HA -0.102 nan 4.420 nan 0.000 0.215 303 P C 1.380 178.749 177.300 0.114 0.000 1.153 303 P CA 1.145 64.292 63.100 0.079 0.000 0.853 303 P CB 0.043 31.762 31.700 0.033 0.000 0.788 304 K N -0.743 119.743 120.400 0.144 0.000 2.026 304 K HA -0.199 4.122 4.320 0.002 0.000 0.208 304 K C 2.183 178.888 176.600 0.176 0.000 1.048 304 K CA 1.549 57.918 56.287 0.137 0.000 0.929 304 K CB -1.558 31.022 32.500 0.132 0.000 0.713 304 K HN 0.070 nan 8.250 nan 0.000 0.439 305 Y N 0.306 120.686 120.300 0.133 0.000 2.165 305 Y HA -0.207 4.344 4.550 0.002 0.000 0.286 305 Y C 1.926 177.861 175.900 0.059 0.000 1.155 305 Y CA 2.011 60.187 58.100 0.127 0.000 1.164 305 Y CB -0.522 38.014 38.460 0.127 0.000 0.978 305 Y HN 0.151 nan 8.280 nan 0.000 0.513 306 A N 0.869 123.835 122.820 0.243 0.000 1.908 306 A HA -0.280 4.041 4.320 0.002 0.000 0.218 306 A C 2.098 179.707 177.584 0.041 0.000 1.181 306 A CA 2.110 54.241 52.037 0.156 0.000 0.627 306 A CB -0.936 18.172 19.000 0.180 0.000 0.818 306 A HN 0.759 nan 8.150 nan 0.000 0.445 307 E N -0.028 120.174 120.200 0.003 0.000 2.208 307 E HA -0.084 4.267 4.350 0.002 0.000 0.193 307 E C 1.875 178.199 176.600 -0.460 0.000 0.988 307 E CA 0.902 57.113 56.400 -0.315 0.000 0.828 307 E CB -0.465 29.045 29.700 -0.316 0.000 0.763 307 E HN 0.593 nan 8.360 nan 0.000 0.478 308 L N 1.122 122.241 121.223 -0.173 0.000 2.017 308 L HA -0.161 4.181 4.340 0.002 0.000 0.208 308 L C 2.605 179.463 176.870 -0.020 0.000 1.073 308 L CA 0.969 55.793 54.840 -0.027 0.000 0.745 308 L CB -0.435 41.577 42.059 -0.077 0.000 0.894 308 L HN 0.090 nan 8.230 nan 0.000 0.432 309 V N -1.034 118.803 119.914 -0.129 0.000 2.343 309 V HA -0.332 3.789 4.120 0.002 0.000 0.247 309 V C 2.226 178.247 176.094 -0.120 0.000 1.051 309 V CA 1.812 64.073 62.300 -0.066 0.000 1.036 309 V CB -0.714 31.062 31.823 -0.078 0.000 0.654 309 V HN 0.376 nan 8.190 nan 0.000 0.451 310 Y N 0.053 120.138 120.300 -0.358 0.000 2.145 310 Y HA -0.255 4.296 4.550 0.002 0.000 0.286 310 Y C 2.381 178.114 175.900 -0.279 0.000 1.145 310 Y CA 1.731 59.552 58.100 -0.465 0.000 1.148 310 Y CB -0.332 37.506 38.460 -1.037 0.000 0.981 310 Y HN 0.304 nan 8.280 nan 0.000 0.507 311 Y N -0.346 119.761 120.300 -0.322 0.000 2.439 311 Y HA 0.172 4.723 4.550 0.002 0.000 0.292 311 Y C 2.192 177.755 175.900 -0.561 0.000 1.130 311 Y CA 0.509 58.214 58.100 -0.659 0.000 1.254 311 Y CB -0.674 37.212 38.460 -0.957 0.000 1.000 311 Y HN 0.265 nan 8.280 nan 0.000 0.554 312 G N -1.466 107.191 108.800 -0.238 0.000 2.143 312 G HA2 -0.245 3.716 3.960 0.002 0.000 0.175 312 G HA3 -0.245 3.716 3.960 0.002 0.000 0.175 312 G C 0.086 174.823 174.900 -0.272 0.000 1.004 312 G CA -0.392 44.547 45.100 -0.270 0.000 0.671 312 G HN 0.259 nan 8.290 nan 0.000 0.512 313 F N 0.740 120.719 119.950 0.048 0.000 2.954 313 F HA 0.342 4.870 4.527 0.002 0.000 0.300 313 F C 1.739 177.572 175.800 0.055 0.000 1.206 313 F CA -0.602 57.441 58.000 0.070 0.000 1.345 313 F CB -0.081 38.941 39.000 0.037 0.000 1.206 313 F HN 0.415 nan 8.300 nan 0.000 0.537 314 W N -0.175 121.116 121.300 -0.015 0.000 2.378 314 W HA -0.194 4.467 4.660 0.002 0.000 0.313 314 W C 0.262 176.682 176.519 -0.166 0.000 1.197 314 W CA 1.465 58.721 57.345 -0.149 0.000 1.304 314 W CB -0.319 29.015 29.460 -0.211 0.000 1.148 314 W HN 0.141 nan 8.180 nan 0.000 0.494 315 Y N 0.888 121.271 120.300 0.137 0.000 2.960 315 Y HA 0.425 4.976 4.550 0.002 0.000 0.393 315 Y C 0.543 176.483 175.900 0.066 0.000 1.118 315 Y CA -0.266 57.855 58.100 0.036 0.000 1.850 315 Y CB -0.689 37.855 38.460 0.141 0.000 1.827 315 Y HN -0.148 nan 8.280 nan 0.000 0.463 316 A N 0.934 123.835 122.820 0.136 0.000 2.355 316 A HA 0.509 4.830 4.320 0.002 0.000 0.324 316 A C -1.735 175.879 177.584 0.050 0.000 1.117 316 A CA -1.862 50.273 52.037 0.162 0.000 0.785 316 A CB 1.329 20.494 19.000 0.275 0.000 1.254 316 A HN 0.131 nan 8.150 nan 0.000 0.453 317 P HA -0.183 nan 4.420 nan 0.000 0.218 317 P C 0.556 177.850 177.300 -0.011 0.000 1.148 317 P CA 1.511 64.619 63.100 0.013 0.000 0.822 317 P CB 0.271 31.984 31.700 0.021 0.000 0.784 318 E N 0.335 120.525 120.200 -0.017 0.000 2.038 318 E HA -0.178 4.173 4.350 0.002 0.000 0.195 318 E C 2.398 178.990 176.600 -0.013 0.000 1.000 318 E CA 1.007 57.393 56.400 -0.024 0.000 0.803 318 E CB -0.938 28.732 29.700 -0.050 0.000 0.750 318 E HN 0.117 nan 8.360 nan 0.000 0.448 319 R N 1.096 121.568 120.500 -0.048 0.000 2.083 319 R HA -0.199 4.142 4.340 0.002 0.000 0.237 319 R C 1.855 178.112 176.300 -0.072 0.000 1.137 319 R CA 1.865 57.904 56.100 -0.101 0.000 0.951 319 R CB -0.172 29.964 30.300 -0.273 0.000 0.851 319 R HN 0.329 nan 8.270 nan 0.000 0.434 320 E N -0.357 119.770 120.200 -0.122 0.000 2.204 320 E HA -0.121 4.230 4.350 0.002 0.000 0.194 320 E C 1.878 178.469 176.600 -0.014 0.000 0.989 320 E CA 0.945 57.286 56.400 -0.098 0.000 0.824 320 E CB -0.040 29.600 29.700 -0.099 0.000 0.756 320 E HN 0.426 nan 8.360 nan 0.000 0.477 321 A N 1.243 124.062 122.820 -0.002 0.000 1.897 321 A HA -0.094 4.227 4.320 0.002 0.000 0.215 321 A C 2.174 179.772 177.584 0.023 0.000 1.181 321 A CA 0.778 52.816 52.037 0.003 0.000 0.620 321 A CB -0.491 18.502 19.000 -0.012 0.000 0.821 321 A HN 0.117 nan 8.150 nan 0.000 0.443 322 L N -1.017 120.247 121.223 0.068 0.000 2.083 322 L HA -0.220 4.121 4.340 0.002 0.000 0.209 322 L C 2.826 179.797 176.870 0.167 0.000 1.083 322 L CA 1.668 56.558 54.840 0.083 0.000 0.752 322 L CB -0.474 41.790 42.059 0.342 0.000 0.899 322 L HN 0.445 nan 8.230 nan 0.000 0.433 323 Q N 0.251 120.217 119.800 0.278 0.000 2.181 323 Q HA -0.179 4.162 4.340 0.002 0.000 0.205 323 Q C 2.139 178.218 176.000 0.132 0.000 0.980 323 Q CA 1.821 57.783 55.803 0.266 0.000 0.862 323 Q CB -0.163 28.651 28.738 0.127 0.000 0.905 323 Q HN 0.464 nan 8.270 nan 0.000 0.429 324 A N -0.886 121.977 122.820 0.071 0.000 1.930 324 A HA -0.173 4.148 4.320 0.002 0.000 0.217 324 A C 1.905 179.511 177.584 0.035 0.000 1.175 324 A CA 1.388 53.450 52.037 0.042 0.000 0.627 324 A CB -0.881 18.132 19.000 0.021 0.000 0.815 324 A HN 0.605 nan 8.150 nan 0.000 0.443 325 Y N -0.496 119.725 120.300 -0.131 0.000 2.153 325 Y HA -0.143 4.408 4.550 0.002 0.000 0.289 325 Y C 1.956 177.764 175.900 -0.153 0.000 1.127 325 Y CA 1.661 59.630 58.100 -0.218 0.000 1.131 325 Y CB -0.647 37.546 38.460 -0.444 0.000 0.995 325 Y HN 0.281 nan 8.280 nan 0.000 0.505 326 F N 0.632 120.520 119.950 -0.104 0.000 2.161 326 F HA -0.254 4.274 4.527 0.002 0.000 0.300 326 F C 2.114 177.789 175.800 -0.209 0.000 1.089 326 F CA 1.376 59.244 58.000 -0.220 0.000 1.282 326 F CB -0.323 38.567 39.000 -0.185 0.000 1.010 326 F HN 0.093 nan 8.300 nan 0.000 0.485 327 D N -1.343 119.088 120.400 0.051 0.000 2.183 327 D HA -0.174 4.467 4.640 0.002 0.000 0.203 327 D C 1.865 178.131 176.300 -0.057 0.000 0.969 327 D CA 1.234 55.236 54.000 0.002 0.000 0.842 327 D CB -0.554 40.264 40.800 0.030 0.000 0.957 327 D HN 0.343 nan 8.370 nan 0.000 0.484 328 H N 0.465 119.440 119.070 -0.158 0.000 2.321 328 H HA -0.070 4.487 4.556 0.002 0.000 0.300 328 H C 1.899 177.099 175.328 -0.213 0.000 1.087 328 H CA 1.621 57.564 56.048 -0.175 0.000 1.319 328 H CB -0.194 29.450 29.762 -0.197 0.000 1.379 328 H HN -0.099 nan 8.280 nan 0.000 0.501 329 V N 0.762 120.495 119.914 -0.301 0.000 2.295 329 V HA -0.238 3.883 4.120 0.002 0.000 0.246 329 V C 2.756 178.706 176.094 -0.241 0.000 1.049 329 V CA 1.718 63.834 62.300 -0.307 0.000 1.024 329 V CB -1.311 30.310 31.823 -0.336 0.000 0.648 329 V HN 0.701 nan 8.190 nan 0.000 0.447 330 A N -0.186 122.526 122.820 -0.181 0.000 2.024 330 A HA -0.272 4.049 4.320 0.002 0.000 0.220 330 A C 2.363 179.844 177.584 -0.171 0.000 1.164 330 A CA 1.938 53.885 52.037 -0.150 0.000 0.643 330 A CB -0.691 18.249 19.000 -0.100 0.000 0.806 330 A HN 0.494 nan 8.150 nan 0.000 0.451 331 R N -0.192 120.184 120.500 -0.207 0.000 2.200 331 R HA -0.090 4.251 4.340 0.002 0.000 0.234 331 R C 1.612 177.761 176.300 -0.251 0.000 1.127 331 R CA 1.527 57.490 56.100 -0.229 0.000 0.989 331 R CB -0.178 29.975 30.300 -0.245 0.000 0.869 331 R HN 0.480 nan 8.270 nan 0.000 0.459 332 S N -0.337 115.222 115.700 -0.235 0.000 2.527 332 S HA 0.056 4.527 4.470 0.002 0.000 0.222 332 S C 0.361 174.856 174.600 -0.175 0.000 0.985 332 S CA 0.091 58.170 58.200 -0.201 0.000 0.921 332 S CB 0.653 63.744 63.200 -0.183 0.000 0.772 332 S HN 0.031 nan 8.310 nan 0.000 0.529 333 V N 3.748 123.558 119.914 -0.174 0.000 2.157 333 V HA 0.146 4.267 4.120 0.002 0.000 0.241 333 V C 0.024 176.060 176.094 -0.096 0.000 1.349 333 V CA 0.301 62.509 62.300 -0.154 0.000 1.319 333 V CB -0.907 30.808 31.823 -0.180 0.000 1.421 333 V HN 0.202 nan 8.190 nan 0.000 0.501 334 T N 2.912 117.413 114.554 -0.089 0.000 2.809 334 T HA 0.793 5.144 4.350 0.002 0.000 0.284 334 T C 0.409 175.121 174.700 0.020 0.000 0.992 334 T CA 0.047 62.132 62.100 -0.026 0.000 0.957 334 T CB 1.758 70.571 68.868 -0.091 0.000 0.942 334 T HN 0.890 nan 8.240 nan 0.000 0.439 335 G N 1.271 110.126 108.800 0.092 0.000 2.333 335 G HA2 0.454 4.415 3.960 0.002 0.000 0.288 335 G HA3 0.454 4.415 3.960 0.002 0.000 0.288 335 G C -2.146 172.830 174.900 0.127 0.000 1.286 335 G CA -0.571 44.573 45.100 0.074 0.000 0.865 335 G HN 0.712 nan 8.290 nan 0.000 0.506 336 V N 0.143 120.110 119.914 0.089 0.000 2.709 336 V HA 0.816 4.937 4.120 0.002 0.000 0.308 336 V C 0.311 176.451 176.094 0.077 0.000 1.062 336 V CA -0.140 62.227 62.300 0.112 0.000 0.901 336 V CB 1.379 33.251 31.823 0.081 0.000 1.003 336 V HN 1.799 nan 8.190 nan 0.000 0.425 337 A N 4.207 127.093 122.820 0.110 0.000 2.330 337 A HA 0.870 5.191 4.320 0.002 0.000 0.327 337 A C -0.349 177.288 177.584 0.088 0.000 1.155 337 A CA -0.741 51.337 52.037 0.069 0.000 0.803 337 A CB 1.114 20.148 19.000 0.056 0.000 1.208 337 A HN 0.839 nan 8.150 nan 0.000 0.477 338 R N 2.323 122.868 120.500 0.075 0.000 2.310 338 R HA 0.626 4.967 4.340 0.002 0.000 0.324 338 R C -1.744 174.626 176.300 0.115 0.000 0.955 338 R CA -0.385 55.778 56.100 0.105 0.000 0.830 338 R CB 0.477 30.837 30.300 0.099 0.000 1.154 338 R HN 0.640 nan 8.270 nan 0.000 0.458 339 L N 2.936 124.230 121.223 0.119 0.000 2.333 339 L HA 0.552 4.893 4.340 0.002 0.000 0.269 339 L C -0.450 176.434 176.870 0.025 0.000 1.010 339 L CA -0.668 54.222 54.840 0.083 0.000 0.818 339 L CB 1.855 43.958 42.059 0.073 0.000 1.306 339 L HN 0.461 nan 8.230 nan 0.000 0.430 340 K N 2.060 122.436 120.400 -0.041 0.000 2.358 340 K HA 0.662 4.983 4.320 0.002 0.000 0.260 340 K C -1.604 174.942 176.600 -0.090 0.000 0.956 340 K CA -0.461 55.670 56.287 -0.259 0.000 0.834 340 K CB 0.966 33.260 32.500 -0.345 0.000 1.102 340 K HN 0.524 nan 8.250 nan 0.000 0.431 341 L N 4.975 126.067 121.223 -0.219 0.000 2.287 341 L HA 0.449 4.790 4.340 0.002 0.000 0.287 341 L C -1.071 175.699 176.870 -0.166 0.000 1.022 341 L CA -1.071 53.639 54.840 -0.215 0.000 0.814 341 L CB 0.850 42.648 42.059 -0.435 0.000 1.217 341 L HN 0.607 nan 8.230 nan 0.000 0.420 342 Y N 3.425 123.686 120.300 -0.065 0.000 2.330 342 Y HA 0.225 4.776 4.550 0.002 0.000 0.324 342 Y C -0.403 175.555 175.900 0.097 0.000 1.093 342 Y CA -1.453 56.667 58.100 0.034 0.000 1.103 342 Y CB 1.185 39.673 38.460 0.047 0.000 1.183 342 Y HN 0.532 nan 8.280 nan 0.000 0.433 343 K N 5.026 125.183 120.400 -0.405 0.000 4.430 343 K HA -0.231 4.090 4.320 0.002 0.000 0.283 343 K C 0.993 177.494 176.600 -0.166 0.000 0.845 343 K CA 1.290 57.359 56.287 -0.364 0.000 0.819 343 K CB -1.400 30.713 32.500 -0.645 0.000 1.735 343 K HN 1.353 nan 8.250 nan 0.000 0.429 344 G N -0.496 108.247 108.800 -0.095 0.000 2.225 344 G HA2 -0.326 3.635 3.960 0.002 0.000 0.254 344 G HA3 -0.326 3.635 3.960 0.002 0.000 0.254 344 G C 0.065 174.911 174.900 -0.091 0.000 0.988 344 G CA 0.372 45.414 45.100 -0.096 0.000 0.625 344 G HN 0.511 nan 8.290 nan 0.000 0.527 345 N N -0.616 118.030 118.700 -0.090 0.000 2.432 345 N HA 0.712 5.453 4.740 0.002 0.000 0.292 345 N C -0.599 174.752 175.510 -0.265 0.000 1.193 345 N CA -0.257 52.654 53.050 -0.231 0.000 0.878 345 N CB 2.096 40.349 38.487 -0.388 0.000 1.252 345 N HN 0.215 nan 8.380 nan 0.000 0.520 346 V N 2.350 122.006 119.914 -0.428 0.000 2.531 346 V HA 0.457 4.578 4.120 0.002 0.000 0.301 346 V C -1.361 174.431 176.094 -0.503 0.000 1.034 346 V CA -0.603 61.525 62.300 -0.286 0.000 0.865 346 V CB 0.955 32.726 31.823 -0.086 0.000 0.995 346 V HN 0.510 nan 8.190 nan 0.000 0.424 347 Y N 2.538 122.773 120.300 -0.109 0.000 2.350 347 Y HA 0.555 5.106 4.550 0.002 0.000 0.338 347 Y C 0.053 175.905 175.900 -0.080 0.000 0.961 347 Y CA -1.018 57.015 58.100 -0.112 0.000 1.100 347 Y CB 2.026 40.430 38.460 -0.094 0.000 1.179 347 Y HN 0.360 nan 8.280 nan 0.000 0.454 348 V N 4.726 124.674 119.914 0.056 0.000 2.455 348 V HA 0.064 4.185 4.120 0.002 0.000 0.273 348 V C 0.693 176.825 176.094 0.062 0.000 1.045 348 V CA 0.021 62.349 62.300 0.046 0.000 0.976 348 V CB 0.698 32.528 31.823 0.011 0.000 0.993 348 V HN 0.826 nan 8.190 nan 0.000 0.475 349 V N 2.048 122.007 119.914 0.075 0.000 3.556 349 V HA 0.764 4.885 4.120 0.002 0.000 0.287 349 V C 0.633 176.758 176.094 0.052 0.000 1.422 349 V CA 0.590 62.936 62.300 0.077 0.000 1.038 349 V CB 0.138 32.048 31.823 0.145 0.000 0.850 349 V HN 0.918 nan 8.190 nan 0.000 0.437 350 G N 0.884 109.707 108.800 0.038 0.000 2.519 350 G HA2 0.654 4.615 3.960 0.002 0.000 0.292 350 G HA3 0.654 4.615 3.960 0.002 0.000 0.292 350 G C -1.685 173.215 174.900 -0.001 0.000 1.507 350 G CA -0.607 44.499 45.100 0.010 0.000 0.806 350 G HN 0.594 nan 8.290 nan 0.000 0.523 351 R N 0.014 120.498 120.500 -0.025 0.000 2.634 351 R HA 0.676 5.017 4.340 0.002 0.000 0.263 351 R C -1.353 174.928 176.300 -0.032 0.000 1.060 351 R CA -0.950 55.132 56.100 -0.030 0.000 0.898 351 R CB 1.146 31.409 30.300 -0.062 0.000 1.253 351 R HN 1.016 nan 8.270 nan 0.000 0.461 352 K N 0.712 121.105 120.400 -0.011 0.000 2.509 352 K HA 0.919 5.240 4.320 0.002 0.000 0.266 352 K C -1.534 175.071 176.600 0.007 0.000 0.987 352 K CA -0.941 55.347 56.287 0.001 0.000 0.868 352 K CB 2.640 35.148 32.500 0.014 0.000 1.421 352 K HN 0.842 nan 8.250 nan 0.000 0.444 353 A N 0.993 123.822 122.820 0.015 0.000 2.594 353 A HA 0.491 4.812 4.320 0.002 0.000 0.296 353 A C -2.623 174.973 177.584 0.021 0.000 1.061 353 A CA -1.089 50.957 52.037 0.015 0.000 0.689 353 A CB 1.383 20.380 19.000 -0.006 0.000 1.280 353 A HN 0.584 nan 8.150 nan 0.000 0.406 354 P HA -0.020 nan 4.420 nan 0.000 0.219 354 P C 0.353 177.660 177.300 0.011 0.000 1.150 354 P CA 1.221 64.335 63.100 0.022 0.000 0.814 354 P CB 0.280 31.999 31.700 0.032 0.000 0.787 355 K N -0.249 120.151 120.400 0.000 0.000 2.981 355 K HA 0.230 4.551 4.320 0.002 0.000 0.213 355 K C 0.167 176.764 176.600 -0.006 0.000 1.154 355 K CA -0.115 56.167 56.287 -0.009 0.000 1.111 355 K CB 0.444 32.927 32.500 -0.028 0.000 0.975 355 K HN -0.022 nan 8.250 nan 0.000 0.462 356 S N 0.945 116.652 115.700 0.013 0.000 2.549 356 S HA 0.107 4.578 4.470 0.002 0.000 0.286 356 S C 1.007 175.631 174.600 0.039 0.000 1.314 356 S CA -0.322 57.898 58.200 0.033 0.000 1.062 356 S CB 0.360 63.602 63.200 0.071 0.000 0.865 356 S HN 0.398 nan 8.310 nan 0.000 0.498 357 L N 4.400 125.650 121.223 0.046 0.000 2.653 357 L HA 0.278 4.619 4.340 0.002 0.000 0.231 357 L C -0.151 176.763 176.870 0.073 0.000 1.153 357 L CA -0.163 54.697 54.840 0.034 0.000 0.933 357 L CB -0.205 41.861 42.059 0.012 0.000 1.175 357 L HN 0.700 nan 8.230 nan 0.000 0.473 358 Y N 1.307 121.593 120.300 -0.024 0.000 2.326 358 Y HA 0.448 4.999 4.550 0.002 0.000 0.337 358 Y C -0.058 175.834 175.900 -0.013 0.000 1.023 358 Y CA -0.752 57.337 58.100 -0.018 0.000 1.143 358 Y CB 0.612 39.061 38.460 -0.018 0.000 1.183 358 Y HN -0.063 nan 8.280 nan 0.000 0.485 359 R N 6.053 126.168 120.500 -0.643 0.000 2.467 359 R HA 0.063 4.404 4.340 0.002 0.000 0.299 359 R C 0.689 176.568 176.300 -0.702 0.000 1.120 359 R CA -0.471 55.331 56.100 -0.498 0.000 0.940 359 R CB 1.500 31.656 30.300 -0.239 0.000 1.161 359 R HN 0.959 nan 8.270 nan 0.000 0.506 360 Q N 0.894 120.271 119.800 -0.704 0.000 2.468 360 Q HA -0.180 4.161 4.340 0.002 0.000 0.216 360 Q C -0.457 175.406 176.000 -0.228 0.000 0.991 360 Q CA 1.359 56.914 55.803 -0.414 0.000 0.900 360 Q CB -0.090 28.593 28.738 -0.092 0.000 0.930 360 Q HN 0.448 nan 8.270 nan 0.000 0.473 371 Y N 0.356 120.625 120.300 -0.052 0.000 2.705 371 Y HA 0.751 5.302 4.550 0.002 0.000 0.332 371 Y C -1.261 174.615 175.900 -0.039 0.000 1.221 371 Y CA -1.058 57.014 58.100 -0.047 0.000 1.059 371 Y CB 0.816 39.235 38.460 -0.068 0.000 1.298 371 Y HN 0.080 nan 8.280 nan 0.000 0.459 372 D N -1.011 119.398 120.400 0.016 0.000 2.687 372 D HA 0.215 4.856 4.640 0.002 0.000 0.264 372 D C 0.477 176.817 176.300 0.067 0.000 1.091 372 D CA -0.729 53.232 54.000 -0.065 0.000 1.123 372 D CB 0.648 41.427 40.800 -0.035 0.000 1.407 372 D HN 0.508 nan 8.370 nan 0.000 0.591 373 Q N 0.137 119.953 119.800 0.028 0.000 2.096 373 Q HA -0.191 4.150 4.340 0.002 0.000 0.204 373 Q C 1.753 177.804 176.000 0.084 0.000 0.982 373 Q CA 1.676 57.519 55.803 0.066 0.000 0.850 373 Q CB -0.606 28.151 28.738 0.031 0.000 0.901 373 Q HN 0.704 nan 8.270 nan 0.000 0.422 374 K N 0.671 121.108 120.400 0.062 0.000 2.103 374 K HA -0.182 4.139 4.320 0.002 0.000 0.207 374 K C 1.422 178.072 176.600 0.084 0.000 1.048 374 K CA 1.536 57.860 56.287 0.062 0.000 0.930 374 K CB 0.075 32.601 32.500 0.043 0.000 0.716 374 K HN 0.064 nan 8.250 nan 0.000 0.444 375 D N 0.414 120.880 120.400 0.109 0.000 2.092 375 D HA -0.169 4.472 4.640 0.002 0.000 0.193 375 D C 1.849 178.222 176.300 0.121 0.000 0.994 375 D CA 1.541 55.612 54.000 0.118 0.000 0.828 375 D CB -0.447 40.447 40.800 0.158 0.000 0.963 375 D HN 0.360 nan 8.370 nan 0.000 0.450 376 A N 0.993 123.895 122.820 0.137 0.000 1.927 376 A HA -0.285 4.036 4.320 0.002 0.000 0.220 376 A C 2.120 179.803 177.584 0.166 0.000 1.185 376 A CA 2.144 54.254 52.037 0.121 0.000 0.639 376 A CB -0.712 18.368 19.000 0.133 0.000 0.820 376 A HN 0.338 nan 8.150 nan 0.000 0.451 377 E N -0.760 119.513 120.200 0.122 0.000 2.077 377 E HA -0.112 4.239 4.350 0.002 0.000 0.193 377 E C 2.121 178.777 176.600 0.094 0.000 0.989 377 E CA 0.995 57.453 56.400 0.097 0.000 0.800 377 E CB -0.430 29.310 29.700 0.066 0.000 0.746 377 E HN 0.529 nan 8.360 nan 0.000 0.452 378 G N 0.610 109.471 108.800 0.101 0.000 2.418 378 G HA2 -0.301 3.660 3.960 0.002 0.000 0.217 378 G HA3 -0.301 3.660 3.960 0.002 0.000 0.217 378 G C 1.347 176.309 174.900 0.102 0.000 1.158 378 G CA 0.699 45.850 45.100 0.084 0.000 0.771 378 G HN 0.369 nan 8.290 nan 0.000 0.545 379 F N 1.668 121.611 119.950 -0.012 0.000 2.065 379 F HA -0.148 4.380 4.527 0.002 0.000 0.298 379 F C 2.462 178.251 175.800 -0.019 0.000 1.112 379 F CA 1.232 59.216 58.000 -0.026 0.000 1.212 379 F CB -0.129 38.841 39.000 -0.050 0.000 0.975 379 F HN 0.026 nan 8.300 nan 0.000 0.476 380 I N 0.480 121.071 120.570 0.035 0.000 2.163 380 I HA -0.278 3.893 4.170 0.002 0.000 0.243 380 I C 2.328 178.381 176.117 -0.107 0.000 1.085 380 I CA 1.323 62.581 61.300 -0.070 0.000 1.347 380 I CB -1.524 36.499 38.000 0.038 0.000 1.044 380 I HN 0.146 nan 8.210 nan 0.000 0.408 381 K N 0.783 121.153 120.400 -0.049 0.000 2.020 381 K HA -0.146 4.175 4.320 0.002 0.000 0.212 381 K C 2.096 178.648 176.600 -0.080 0.000 1.050 381 K CA 1.284 57.543 56.287 -0.046 0.000 0.929 381 K CB -0.545 31.946 32.500 -0.015 0.000 0.714 381 K HN 0.248 nan 8.250 nan 0.000 0.443 382 I N 1.866 122.375 120.570 -0.102 0.000 2.179 382 I HA -0.236 3.935 4.170 0.002 0.000 0.242 382 I C 2.341 178.358 176.117 -0.167 0.000 1.088 382 I CA 1.327 62.558 61.300 -0.115 0.000 1.357 382 I CB -1.271 36.668 38.000 -0.102 0.000 1.051 382 I HN 0.232 nan 8.210 nan 0.000 0.409 383 Q N 0.513 120.140 119.800 -0.288 0.000 2.181 383 Q HA -0.122 4.219 4.340 0.002 0.000 0.205 383 Q C 2.238 178.133 176.000 -0.175 0.000 0.980 383 Q CA 1.834 57.456 55.803 -0.302 0.000 0.862 383 Q CB -0.310 28.128 28.738 -0.501 0.000 0.905 383 Q HN 0.580 nan 8.270 nan 0.000 0.429 384 A N 0.226 122.962 122.820 -0.140 0.000 2.132 384 A HA -0.019 4.302 4.320 0.002 0.000 0.213 384 A C 2.011 179.556 177.584 -0.064 0.000 1.154 384 A CA 0.163 52.148 52.037 -0.086 0.000 0.753 384 A CB -0.269 18.692 19.000 -0.066 0.000 0.826 384 A HN 0.281 nan 8.150 nan 0.000 0.469 385 L N 1.564 122.748 121.223 -0.066 0.000 1.978 385 L HA -0.276 4.065 4.340 0.002 0.000 0.218 385 L C 2.688 179.534 176.870 -0.040 0.000 1.075 385 L CA 2.848 57.660 54.840 -0.047 0.000 0.767 385 L CB -0.658 41.374 42.059 -0.045 0.000 0.890 385 L HN 0.605 nan 8.230 nan 0.000 0.434 386 R N -0.554 119.919 120.500 -0.044 0.000 2.127 386 R HA -0.178 4.163 4.340 0.002 0.000 0.238 386 R C 2.118 178.400 176.300 -0.031 0.000 1.134 386 R CA 2.030 58.109 56.100 -0.035 0.000 0.975 386 R CB -1.054 29.224 30.300 -0.037 0.000 0.865 386 R HN 0.487 nan 8.270 nan 0.000 0.447 387 L N 0.334 121.536 121.223 -0.035 0.000 2.072 387 L HA -0.004 4.337 4.340 0.002 0.000 0.205 387 L C 2.842 179.698 176.870 -0.023 0.000 1.079 387 L CA 1.277 56.099 54.840 -0.029 0.000 0.752 387 L CB -0.403 41.637 42.059 -0.032 0.000 0.906 387 L HN 0.170 nan 8.230 nan 0.000 0.436 388 R N -0.360 120.125 120.500 -0.025 0.000 2.075 388 R HA -0.106 4.235 4.340 0.002 0.000 0.232 388 R C 2.291 178.581 176.300 -0.016 0.000 1.126 388 R CA 1.095 57.183 56.100 -0.019 0.000 0.963 388 R CB -0.420 29.868 30.300 -0.020 0.000 0.858 388 R HN 0.155 nan 8.270 nan 0.000 0.435 389 V N 1.102 121.005 119.914 -0.018 0.000 2.343 389 V HA -0.274 3.847 4.120 0.002 0.000 0.247 389 V C 2.509 178.594 176.094 -0.014 0.000 1.051 389 V CA 1.819 64.109 62.300 -0.015 0.000 1.036 389 V CB -0.596 31.217 31.823 -0.017 0.000 0.654 389 V HN 0.340 nan 8.190 nan 0.000 0.451 390 R N 0.278 120.769 120.500 -0.015 0.000 2.083 390 R HA -0.200 4.141 4.340 0.002 0.000 0.237 390 R C 2.305 178.598 176.300 -0.011 0.000 1.137 390 R CA 1.881 57.973 56.100 -0.013 0.000 0.951 390 R CB -0.467 29.825 30.300 -0.014 0.000 0.851 390 R HN 0.481 nan 8.270 nan 0.000 0.434 391 A N 1.195 124.008 122.820 -0.011 0.000 1.877 391 A HA -0.134 4.187 4.320 0.002 0.000 0.216 391 A C 2.276 179.855 177.584 -0.008 0.000 1.186 391 A CA 1.341 53.372 52.037 -0.009 0.000 0.620 391 A CB -0.590 18.404 19.000 -0.009 0.000 0.822 391 A HN 0.350 nan 8.150 nan 0.000 0.443 392 L N -0.572 120.646 121.223 -0.008 0.000 2.042 392 L HA -0.180 4.162 4.340 0.002 0.000 0.210 392 L C 2.513 179.379 176.870 -0.007 0.000 1.076 392 L CA 1.158 55.994 54.840 -0.007 0.000 0.749 392 L CB -0.651 41.403 42.059 -0.008 0.000 0.893 392 L HN 0.240 nan 8.230 nan 0.000 0.432 393 V N -0.534 119.375 119.914 -0.007 0.000 2.343 393 V HA -0.212 3.909 4.120 0.002 0.000 0.247 393 V C 2.235 178.325 176.094 -0.006 0.000 1.051 393 V CA 1.470 63.766 62.300 -0.007 0.000 1.036 393 V CB -0.492 31.326 31.823 -0.007 0.000 0.654 393 V HN 0.428 nan 8.190 nan 0.000 0.451 394 E N -0.108 120.088 120.200 -0.006 0.000 2.515 394 E HA -0.032 4.319 4.350 0.002 0.000 0.201 394 E C 0.846 177.443 176.600 -0.004 0.000 1.071 394 E CA 0.021 56.418 56.400 -0.005 0.000 0.880 394 E CB -0.367 29.330 29.700 -0.005 0.000 0.828 394 E HN 0.577 nan 8.360 nan 0.000 0.540 395 R N 0.000 120.497 120.500 -0.005 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 395 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535