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 1o9q_1_B DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGXVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AKS 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 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 I N 1.277 121.837 120.570 -0.015 0.000 2.371 2 I HA 0.256 4.425 4.170 -0.000 0.000 0.290 2 I C 0.358 176.460 176.117 -0.026 0.000 1.028 2 I CA -0.218 61.071 61.300 -0.019 0.000 1.345 2 I CB 1.521 39.510 38.000 -0.019 0.000 1.407 2 I HN 0.568 nan 8.210 nan 0.000 0.501 3 S N 6.028 121.709 115.700 -0.032 0.000 2.430 3 S HA 0.157 4.626 4.470 -0.000 0.000 0.289 3 S C 0.749 175.323 174.600 -0.044 0.000 1.143 3 S CA -0.785 57.387 58.200 -0.048 0.000 1.067 3 S CB 0.779 63.947 63.200 -0.053 0.000 0.964 3 S HN 0.570 nan 8.310 nan 0.000 0.485 4 L N 6.966 128.158 121.223 -0.051 0.000 2.046 4 L HA 0.144 4.484 4.340 -0.000 0.000 0.208 4 L C 2.350 179.194 176.870 -0.043 0.000 1.077 4 L CA 2.568 57.382 54.840 -0.044 0.000 0.747 4 L CB -1.573 40.457 42.059 -0.048 0.000 0.896 4 L HN 0.796 nan 8.230 nan 0.000 0.432 5 A N -0.409 122.374 122.820 -0.063 0.000 1.908 5 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 5 A C 2.091 179.659 177.584 -0.026 0.000 1.181 5 A CA 1.993 53.999 52.037 -0.052 0.000 0.627 5 A CB -1.158 17.787 19.000 -0.093 0.000 0.818 5 A HN 0.639 nan 8.150 nan 0.000 0.445 6 D N -0.263 120.119 120.400 -0.030 0.000 2.084 6 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 6 D C 1.848 178.144 176.300 -0.007 0.000 0.990 6 D CA 1.444 55.436 54.000 -0.013 0.000 0.826 6 D CB -0.254 40.537 40.800 -0.016 0.000 0.971 6 D HN 0.402 nan 8.370 nan 0.000 0.453 7 L N -0.024 121.192 121.223 -0.013 0.000 2.042 7 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 7 L C 2.802 179.669 176.870 -0.004 0.000 1.076 7 L CA 1.274 56.109 54.840 -0.008 0.000 0.749 7 L CB -0.599 41.453 42.059 -0.013 0.000 0.893 7 L HN 0.248 nan 8.230 nan 0.000 0.432 8 Q N -0.224 119.573 119.800 -0.006 0.000 2.077 8 Q HA -0.249 4.090 4.340 -0.000 0.000 0.206 8 Q C 2.440 178.444 176.000 0.007 0.000 0.989 8 Q CA 1.791 57.593 55.803 -0.000 0.000 0.853 8 Q CB -0.055 28.682 28.738 -0.001 0.000 0.907 8 Q HN 0.463 nan 8.270 nan 0.000 0.418 9 R N -0.109 120.397 120.500 0.010 0.000 2.073 9 R HA -0.085 4.254 4.340 -0.000 0.000 0.234 9 R C 2.330 178.638 176.300 0.013 0.000 1.134 9 R CA 1.172 57.281 56.100 0.016 0.000 0.952 9 R CB -0.151 30.162 30.300 0.021 0.000 0.850 9 R HN 0.195 nan 8.270 nan 0.000 0.433 10 R N 0.286 120.791 120.500 0.010 0.000 2.115 10 R HA -0.039 4.300 4.340 -0.000 0.000 0.230 10 R C 2.271 178.575 176.300 0.008 0.000 1.111 10 R CA 1.102 57.207 56.100 0.009 0.000 0.976 10 R CB -0.234 30.070 30.300 0.006 0.000 0.870 10 R HN 0.263 nan 8.270 nan 0.000 0.445 11 I N 0.475 121.049 120.570 0.007 0.000 2.353 11 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 11 I C 2.440 178.562 176.117 0.008 0.000 1.119 11 I CA 1.002 62.306 61.300 0.007 0.000 1.417 11 I CB -0.166 37.837 38.000 0.005 0.000 1.078 11 I HN 0.091 nan 8.210 nan 0.000 0.421 12 E N 1.236 121.442 120.200 0.010 0.000 2.077 12 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 12 E C 2.084 178.691 176.600 0.012 0.000 0.989 12 E CA 2.218 58.624 56.400 0.012 0.000 0.800 12 E CB -0.265 29.444 29.700 0.014 0.000 0.746 12 E HN 0.507 nan 8.360 nan 0.000 0.452 13 T N -3.746 110.815 114.554 0.012 0.000 3.085 13 T HA 0.182 4.532 4.350 -0.000 0.000 0.263 13 T C 1.579 176.285 174.700 0.010 0.000 1.127 13 T CA 0.823 62.930 62.100 0.011 0.000 1.103 13 T CB -0.034 68.841 68.868 0.012 0.000 0.921 13 T HN 0.381 nan 8.240 nan 0.000 0.510 14 G N 1.282 110.087 108.800 0.009 0.000 2.175 14 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 14 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 14 G C 0.579 175.483 174.900 0.008 0.000 0.982 14 G CA 0.572 45.676 45.100 0.008 0.000 0.641 14 G HN 0.626 nan 8.290 nan 0.000 0.527 15 E N -0.804 119.400 120.200 0.008 0.000 2.204 15 E HA 0.108 4.458 4.350 -0.000 0.000 0.195 15 E C 0.813 177.417 176.600 0.007 0.000 0.990 15 E CA 0.876 57.280 56.400 0.007 0.000 0.821 15 E CB -0.007 29.698 29.700 0.008 0.000 0.750 15 E HN 0.585 nan 8.360 nan 0.000 0.477 16 L N 0.867 122.094 121.223 0.007 0.000 2.410 16 L HA 0.291 4.631 4.340 -0.000 0.000 0.270 16 L C -0.734 176.140 176.870 0.007 0.000 0.983 16 L CA -0.645 54.199 54.840 0.006 0.000 0.822 16 L CB 1.971 44.033 42.059 0.005 0.000 1.285 16 L HN 0.059 nan 8.230 nan 0.000 0.409 17 S N 3.795 119.500 115.700 0.008 0.000 2.610 17 S HA 0.569 5.039 4.470 -0.000 0.000 0.273 17 S C -2.099 172.507 174.600 0.010 0.000 1.274 17 S CA -0.962 57.243 58.200 0.009 0.000 1.023 17 S CB 1.181 64.386 63.200 0.009 0.000 0.962 17 S HN 0.606 nan 8.310 nan 0.000 0.523 18 P HA -0.081 nan 4.420 nan 0.000 0.215 18 P C 1.142 178.453 177.300 0.018 0.000 1.153 18 P CA 1.058 64.165 63.100 0.012 0.000 0.853 18 P CB -0.018 31.689 31.700 0.011 0.000 0.788 19 N N -0.409 118.303 118.700 0.020 0.000 2.069 19 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 19 N C 1.739 177.269 175.510 0.033 0.000 1.031 19 N CA 1.731 54.798 53.050 0.029 0.000 0.852 19 N CB -1.008 37.492 38.487 0.022 0.000 1.018 19 N HN 0.058 nan 8.380 nan 0.000 0.423 20 A N 1.183 124.017 122.820 0.023 0.000 1.877 20 A HA 0.003 4.322 4.320 -0.000 0.000 0.216 20 A C 2.425 180.022 177.584 0.022 0.000 1.186 20 A CA 2.041 54.091 52.037 0.022 0.000 0.620 20 A CB -0.910 18.099 19.000 0.014 0.000 0.822 20 A HN 0.330 nan 8.150 nan 0.000 0.443 21 A N 0.067 122.895 122.820 0.014 0.000 1.883 21 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 21 A C 2.008 179.593 177.584 0.001 0.000 1.186 21 A CA 1.805 53.845 52.037 0.005 0.000 0.624 21 A CB -0.553 18.447 19.000 0.000 0.000 0.822 21 A HN 0.416 nan 8.150 nan 0.000 0.444 22 I N -0.104 120.473 120.570 0.012 0.000 2.286 22 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 22 I C 2.887 179.044 176.117 0.067 0.000 1.115 22 I CA 1.366 62.669 61.300 0.004 0.000 1.392 22 I CB -1.606 36.421 38.000 0.045 0.000 1.065 22 I HN 0.375 nan 8.210 nan 0.000 0.418 23 A N -0.052 122.833 122.820 0.109 0.000 1.930 23 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 23 A C 2.253 179.892 177.584 0.091 0.000 1.175 23 A CA 1.375 53.497 52.037 0.141 0.000 0.627 23 A CB -0.511 18.537 19.000 0.079 0.000 0.815 23 A HN 0.348 nan 8.150 nan 0.000 0.443 24 Q N 0.082 119.906 119.800 0.040 0.000 2.061 24 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 24 Q C 2.473 178.473 176.000 -0.001 0.000 0.984 24 Q CA 2.227 58.040 55.803 0.016 0.000 0.846 24 Q CB -0.324 28.415 28.738 0.001 0.000 0.902 24 Q HN 0.650 nan 8.270 nan 0.000 0.421 25 S N -0.539 115.138 115.700 -0.038 0.000 2.356 25 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 25 S C 1.681 176.216 174.600 -0.109 0.000 1.032 25 S CA 1.101 59.242 58.200 -0.099 0.000 1.005 25 S CB -0.454 62.644 63.200 -0.171 0.000 0.867 25 S HN 0.460 nan 8.310 nan 0.000 0.449 26 H N 1.435 120.499 119.070 -0.011 0.000 2.353 26 H HA -0.035 4.521 4.556 -0.000 0.000 0.298 26 H C 2.474 177.804 175.328 0.004 0.000 1.103 26 H CA 1.485 57.549 56.048 0.028 0.000 1.293 26 H CB -0.676 29.132 29.762 0.076 0.000 1.372 26 H HN 0.438 nan 8.280 nan 0.000 0.501 27 A N 0.935 123.828 122.820 0.122 0.000 1.930 27 A HA -0.043 4.276 4.320 -0.000 0.000 0.217 27 A C 2.698 180.291 177.584 0.016 0.000 1.175 27 A CA 1.602 53.674 52.037 0.059 0.000 0.627 27 A CB -0.699 18.326 19.000 0.042 0.000 0.815 27 A HN 0.436 nan 8.150 nan 0.000 0.443 28 A N -0.184 122.632 122.820 -0.008 0.000 1.930 28 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 28 A C 2.096 179.652 177.584 -0.046 0.000 1.175 28 A CA 1.391 53.413 52.037 -0.026 0.000 0.627 28 A CB -0.520 18.462 19.000 -0.030 0.000 0.815 28 A HN 0.495 nan 8.150 nan 0.000 0.443 29 I N -1.001 119.510 120.570 -0.098 0.000 2.202 29 I HA -0.190 3.979 4.170 -0.000 0.000 0.242 29 I C 2.520 178.575 176.117 -0.104 0.000 1.091 29 I CA 1.521 62.712 61.300 -0.182 0.000 1.368 29 I CB -0.291 37.359 38.000 -0.583 0.000 1.058 29 I HN 0.257 nan 8.210 nan 0.000 0.410 30 E N 1.177 121.356 120.200 -0.036 0.000 2.118 30 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 30 E C 2.145 178.747 176.600 0.003 0.000 0.992 30 E CA 1.586 57.999 56.400 0.022 0.000 0.804 30 E CB -0.214 29.520 29.700 0.055 0.000 0.741 30 E HN 0.453 nan 8.360 nan 0.000 0.458 31 A N 0.077 122.893 122.820 -0.008 0.000 1.933 31 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 31 A C 1.842 179.412 177.584 -0.024 0.000 1.175 31 A CA 1.458 53.487 52.037 -0.013 0.000 0.628 31 A CB -0.068 18.924 19.000 -0.014 0.000 0.814 31 A HN 0.061 nan 8.150 nan 0.000 0.444 32 R N -1.694 118.788 120.500 -0.031 0.000 2.469 32 R HA 0.107 4.447 4.340 -0.000 0.000 0.250 32 R C 1.499 177.765 176.300 -0.056 0.000 0.909 32 R CA 0.678 56.749 56.100 -0.048 0.000 1.050 32 R CB -0.187 30.080 30.300 -0.054 0.000 1.256 32 R HN 0.542 nan 8.270 nan 0.000 0.550 33 E N 2.389 122.575 120.200 -0.023 0.000 2.160 33 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 33 E C 1.287 177.869 176.600 -0.030 0.000 0.991 33 E CA 1.568 57.974 56.400 0.010 0.000 0.810 33 E CB 0.076 29.805 29.700 0.049 0.000 0.742 33 E HN 0.163 nan 8.360 nan 0.000 0.466 34 K N -0.233 120.153 120.400 -0.025 0.000 2.283 34 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 34 K C 1.880 178.357 176.600 -0.204 0.000 1.048 34 K CA 1.465 57.752 56.287 -0.002 0.000 0.948 34 K CB -0.034 32.486 32.500 0.033 0.000 0.742 34 K HN 0.438 nan 8.250 nan 0.000 0.458 35 E N -0.443 119.591 120.200 -0.278 0.000 2.307 35 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 35 E C 1.544 177.822 176.600 -0.537 0.000 0.975 35 E CA 0.273 56.464 56.400 -0.349 0.000 0.878 35 E CB 0.242 29.850 29.700 -0.154 0.000 0.845 35 E HN -0.073 nan 8.360 nan 0.000 0.488 36 V N 0.584 120.231 119.914 -0.444 0.000 2.949 36 V HA -0.025 4.095 4.120 -0.000 0.000 0.245 36 V C 0.038 176.007 176.094 -0.208 0.000 1.086 36 V CA 1.003 63.137 62.300 -0.278 0.000 1.097 36 V CB -1.005 30.740 31.823 -0.130 0.000 0.762 36 V HN 0.417 nan 8.190 nan 0.000 0.470 37 H N -0.687 118.405 119.070 0.036 0.000 2.756 37 H HA -0.197 4.359 4.556 -0.000 0.000 0.315 37 H C 1.326 176.670 175.328 0.027 0.000 1.210 37 H CA 0.234 56.310 56.048 0.047 0.000 1.150 37 H CB -1.414 28.365 29.762 0.028 0.000 1.463 37 H HN 0.482 nan 8.280 nan 0.000 0.427 38 A N -0.384 122.492 122.820 0.094 0.000 2.132 38 A HA 0.227 4.547 4.320 -0.000 0.000 0.213 38 A C 0.417 177.885 177.584 -0.194 0.000 1.154 38 A CA 0.403 52.392 52.037 -0.081 0.000 0.753 38 A CB 0.338 19.222 19.000 -0.193 0.000 0.826 38 A HN 0.256 nan 8.150 nan 0.000 0.469 39 F N -1.647 118.307 119.950 0.006 0.000 2.443 39 F HA 0.400 4.927 4.527 -0.000 0.000 0.335 39 F C 1.171 176.993 175.800 0.037 0.000 1.104 39 F CA -0.405 57.603 58.000 0.013 0.000 1.013 39 F CB 1.990 40.998 39.000 0.015 0.000 1.136 39 F HN -0.161 nan 8.300 nan 0.000 0.470 40 V N 2.372 122.404 119.914 0.197 0.000 2.535 40 V HA 0.070 4.189 4.120 -0.000 0.000 0.246 40 V C 0.517 176.710 176.094 0.164 0.000 1.045 40 V CA 1.113 63.493 62.300 0.133 0.000 1.058 40 V CB -0.336 31.536 31.823 0.081 0.000 0.689 40 V HN 0.598 nan 8.190 nan 0.000 0.461 41 R N -0.708 119.929 120.500 0.229 0.000 2.510 41 R HA 0.373 4.713 4.340 -0.000 0.000 0.287 41 R C -0.957 175.488 176.300 0.242 0.000 1.084 41 R CA -0.432 55.782 56.100 0.190 0.000 0.934 41 R CB 1.587 31.963 30.300 0.126 0.000 1.201 41 R HN 0.446 nan 8.270 nan 0.000 0.431 42 H N 2.184 121.250 119.070 -0.008 0.000 2.541 42 H HA 0.142 4.698 4.556 -0.000 0.000 0.316 42 H C -0.989 174.297 175.328 -0.069 0.000 1.043 42 H CA -0.696 55.242 56.048 -0.183 0.000 1.232 42 H CB 1.311 30.869 29.762 -0.339 0.000 1.406 42 H HN 0.480 nan 8.280 nan 0.000 0.469 43 D N 4.946 125.404 120.400 0.097 0.000 2.453 43 D HA 0.036 4.676 4.640 -0.000 0.000 0.223 43 D C 0.634 176.879 176.300 -0.091 0.000 1.183 43 D CA -0.224 53.764 54.000 -0.019 0.000 0.933 43 D CB 0.661 41.497 40.800 0.060 0.000 1.038 43 D HN 0.606 nan 8.370 nan 0.000 0.513 44 K N 0.733 120.875 120.400 -0.430 0.000 2.360 44 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 44 K C 1.585 177.934 176.600 -0.417 0.000 1.046 44 K CA 1.072 57.029 56.287 -0.550 0.000 0.945 44 K CB 0.134 32.314 32.500 -0.534 0.000 0.750 44 K HN 0.364 nan 8.250 nan 0.000 0.464 45 S N -0.168 115.417 115.700 -0.192 0.000 2.556 45 S HA 0.216 4.686 4.470 -0.000 0.000 0.216 45 S C 0.749 175.341 174.600 -0.014 0.000 0.970 45 S CA -0.399 57.727 58.200 -0.125 0.000 0.912 45 S CB 0.229 63.379 63.200 -0.084 0.000 0.790 45 S HN 0.174 nan 8.310 nan 0.000 0.504 46 A N 2.397 125.276 122.820 0.098 0.000 2.566 46 A HA 0.361 4.680 4.320 -0.000 0.000 0.245 46 A C 0.532 178.242 177.584 0.210 0.000 1.056 46 A CA -0.032 52.104 52.037 0.165 0.000 0.757 46 A CB -0.005 19.117 19.000 0.203 0.000 0.979 46 A HN 0.635 nan 8.150 nan 0.000 0.508 47 R N 1.476 122.040 120.500 0.106 0.000 2.902 47 R HA 0.681 5.021 4.340 -0.000 0.000 0.258 47 R C 0.049 176.385 176.300 0.061 0.000 1.071 47 R CA -0.473 55.680 56.100 0.087 0.000 1.024 47 R CB 1.757 32.083 30.300 0.044 0.000 1.184 47 R HN 0.797 nan 8.270 nan 0.000 0.492 48 A N 1.191 124.040 122.820 0.049 0.000 2.351 48 A HA 0.205 4.525 4.320 -0.000 0.000 0.257 48 A C -0.238 177.359 177.584 0.022 0.000 1.087 48 A CA -0.321 51.734 52.037 0.030 0.000 0.798 48 A CB 0.500 19.516 19.000 0.026 0.000 1.033 48 A HN 0.590 nan 8.150 nan 0.000 0.488 49 Q N -0.026 119.784 119.800 0.016 0.000 2.221 49 Q HA 0.483 4.823 4.340 -0.000 0.000 0.242 49 Q C 0.939 176.946 176.000 0.011 0.000 0.940 49 Q CA -0.036 55.774 55.803 0.013 0.000 0.896 49 Q CB 1.557 30.301 28.738 0.011 0.000 1.226 49 Q HN 0.828 nan 8.270 nan 0.000 0.463 50 A N 0.793 123.619 122.820 0.010 0.000 2.072 50 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 50 A C 0.673 178.262 177.584 0.008 0.000 1.156 50 A CA 0.949 52.992 52.037 0.009 0.000 0.701 50 A CB 0.169 19.174 19.000 0.007 0.000 0.816 50 A HN 0.643 nan 8.150 nan 0.000 0.458 51 S N -2.984 112.721 115.700 0.008 0.000 2.697 51 S HA 0.737 5.207 4.470 -0.000 0.000 0.289 51 S C -0.045 174.559 174.600 0.008 0.000 1.149 51 S CA -0.162 58.043 58.200 0.008 0.000 0.850 51 S CB 1.137 64.341 63.200 0.008 0.000 1.151 51 S HN 2.034 nan 8.310 nan 0.000 0.491 52 G N 0.979 109.783 108.800 0.008 0.000 2.650 52 G HA2 0.041 4.001 3.960 -0.000 0.000 0.686 52 G HA3 0.041 4.001 3.960 -0.000 0.000 0.686 52 G C -2.162 172.742 174.900 0.008 0.000 1.205 52 G CA -0.296 44.809 45.100 0.008 0.000 0.781 52 G HN 0.636 nan 8.290 nan 0.000 0.648 53 P HA -0.022 nan 4.420 nan 0.000 0.225 53 P C 1.450 178.751 177.300 0.002 0.000 1.148 53 P CA 1.011 64.115 63.100 0.007 0.000 0.779 53 P CB 0.167 31.873 31.700 0.010 0.000 0.780 54 L N -0.350 120.873 121.223 0.001 0.000 2.769 54 L HA 0.203 4.542 4.340 -0.000 0.000 0.240 54 L C 1.208 178.078 176.870 -0.001 0.000 1.163 54 L CA -0.603 54.235 54.840 -0.003 0.000 0.962 54 L CB -0.296 41.759 42.059 -0.006 0.000 1.258 54 L HN -0.039 nan 8.230 nan 0.000 0.513 55 R N 0.381 120.882 120.500 0.003 0.000 2.522 55 R HA 0.272 4.612 4.340 -0.000 0.000 0.284 55 R C 0.862 177.163 176.300 0.003 0.000 1.032 55 R CA 0.726 56.828 56.100 0.005 0.000 1.049 55 R CB 0.055 30.358 30.300 0.007 0.000 0.956 55 R HN 0.184 nan 8.270 nan 0.000 0.422 56 G N 2.730 111.532 108.800 0.003 0.000 2.176 56 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.253 56 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.253 56 G C -0.008 174.887 174.900 -0.008 0.000 0.979 56 G CA 0.003 45.104 45.100 0.001 0.000 0.641 56 G HN 0.567 nan 8.290 nan 0.000 0.530 57 I N 1.815 122.379 120.570 -0.010 0.000 2.297 57 I HA 0.615 4.785 4.170 -0.000 0.000 0.291 57 I C 0.913 177.019 176.117 -0.019 0.000 1.033 57 I CA -0.968 60.323 61.300 -0.015 0.000 1.253 57 I CB 0.495 38.487 38.000 -0.013 0.000 1.396 57 I HN 0.336 nan 8.210 nan 0.000 0.476 58 A N 7.199 130.000 122.820 -0.033 0.000 2.409 58 A HA 0.605 4.925 4.320 -0.000 0.000 0.262 58 A C -0.143 177.436 177.584 -0.007 0.000 1.113 58 A CA -0.272 51.740 52.037 -0.041 0.000 0.790 58 A CB 0.532 19.473 19.000 -0.099 0.000 1.046 58 A HN 0.477 nan 8.150 nan 0.000 0.496 59 V N 2.216 122.139 119.914 0.016 0.000 2.588 59 V HA 0.631 4.750 4.120 -0.000 0.000 0.304 59 V C 0.761 176.899 176.094 0.073 0.000 1.042 59 V CA -0.285 62.037 62.300 0.036 0.000 0.877 59 V CB 1.760 33.598 31.823 0.026 0.000 0.996 59 V HN 1.160 nan 8.190 nan 0.000 0.425 60 G N 4.614 113.453 108.800 0.065 0.000 2.356 60 G HA2 0.639 4.599 3.960 -0.000 0.000 0.298 60 G HA3 0.639 4.599 3.960 -0.000 0.000 0.298 60 G C -0.713 174.190 174.900 0.004 0.000 1.145 60 G CA -0.376 44.754 45.100 0.051 0.000 0.850 60 G HN 0.455 nan 8.290 nan 0.000 0.487 61 I N 1.771 122.351 120.570 0.017 0.000 2.382 61 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 61 I C 0.473 176.584 176.117 -0.010 0.000 1.002 61 I CA -1.141 60.169 61.300 0.017 0.000 1.135 61 I CB 1.465 39.491 38.000 0.044 0.000 1.288 61 I HN 0.528 nan 8.210 nan 0.000 0.448 62 K N 3.979 124.371 120.400 -0.014 0.000 2.511 62 K HA -0.129 4.191 4.320 -0.000 0.000 0.280 62 K C 0.437 177.036 176.600 -0.002 0.000 1.008 62 K CA 0.271 56.544 56.287 -0.024 0.000 1.050 62 K CB 0.517 33.024 32.500 0.012 0.000 0.889 62 K HN 0.429 nan 8.250 nan 0.000 0.484 63 D N 4.221 124.613 120.400 -0.014 0.000 2.396 63 D HA -0.023 4.617 4.640 -0.000 0.000 0.255 63 D C 0.752 177.049 176.300 -0.004 0.000 1.224 63 D CA 0.377 54.378 54.000 0.002 0.000 0.894 63 D CB -0.258 40.543 40.800 0.001 0.000 0.939 63 D HN 0.574 nan 8.370 nan 0.000 0.506 64 I N -3.489 117.084 120.570 0.006 0.000 4.154 64 I HA 0.307 4.477 4.170 -0.000 0.000 0.334 64 I C 0.013 176.155 176.117 0.041 0.000 1.371 64 I CA -0.295 61.009 61.300 0.006 0.000 1.110 64 I CB 0.351 38.364 38.000 0.022 0.000 1.085 64 I HN -0.226 nan 8.210 nan 0.000 0.398 65 I N 2.920 123.518 120.570 0.046 0.000 2.312 65 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 65 I C -0.498 175.654 176.117 0.058 0.000 1.008 65 I CA -0.537 60.796 61.300 0.055 0.000 1.226 65 I CB 0.815 38.844 38.000 0.049 0.000 1.371 65 I HN -0.000 nan 8.210 nan 0.000 0.468 66 D N 5.038 125.479 120.400 0.069 0.000 2.493 66 D HA 0.129 4.769 4.640 -0.000 0.000 0.240 66 D C 0.165 176.489 176.300 0.040 0.000 1.142 66 D CA 0.680 54.721 54.000 0.068 0.000 0.872 66 D CB 0.820 41.667 40.800 0.079 0.000 1.173 66 D HN 0.567 nan 8.370 nan 0.000 0.467 67 T N -1.895 112.672 114.554 0.023 0.000 2.893 67 T HA 0.647 4.997 4.350 -0.000 0.000 0.293 67 T C 0.637 175.324 174.700 -0.021 0.000 1.027 67 T CA -0.895 61.211 62.100 0.009 0.000 0.988 67 T CB 1.993 70.873 68.868 0.020 0.000 1.043 67 T HN 0.164 nan 8.240 nan 0.000 0.461 68 A N 1.938 124.744 122.820 -0.022 0.000 2.030 68 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 68 A C 1.933 179.487 177.584 -0.050 0.000 1.164 68 A CA 0.682 52.692 52.037 -0.045 0.000 0.697 68 A CB -0.433 18.549 19.000 -0.031 0.000 0.827 68 A HN 0.879 nan 8.150 nan 0.000 0.457 69 N N -1.225 117.458 118.700 -0.029 0.000 2.254 69 N HA 0.184 4.924 4.740 -0.000 0.000 0.190 69 N C 0.088 175.586 175.510 -0.020 0.000 1.107 69 N CA 0.132 53.167 53.050 -0.024 0.000 0.869 69 N CB 0.140 38.622 38.487 -0.009 0.000 0.983 69 N HN 0.404 nan 8.380 nan 0.000 0.487 70 M N 0.157 119.747 119.600 -0.016 0.000 2.572 70 M HA 0.473 4.953 4.480 -0.000 0.000 0.299 70 M C -2.779 173.511 176.300 -0.017 0.000 1.205 70 M CA -2.019 53.280 55.300 -0.002 0.000 0.876 70 M CB 3.022 35.641 32.600 0.031 0.000 1.728 70 M HN -0.296 nan 8.290 nan 0.000 0.458 71 P HA 0.132 nan 4.420 nan 0.000 0.270 71 P C -1.017 176.307 177.300 0.039 0.000 1.223 71 P CA -0.091 63.006 63.100 -0.006 0.000 0.785 71 P CB 0.499 32.216 31.700 0.029 0.000 0.923 72 T N 1.418 116.022 114.554 0.083 0.000 3.009 72 T HA 0.180 4.530 4.350 -0.000 0.000 0.346 72 T C 0.319 175.159 174.700 0.233 0.000 1.092 72 T CA -0.318 61.864 62.100 0.136 0.000 1.080 72 T CB 0.204 69.164 68.868 0.153 0.000 1.037 72 T HN 0.341 nan 8.240 nan 0.000 0.487 73 E N 2.994 123.281 120.200 0.145 0.000 2.479 73 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 73 E C 0.715 177.308 176.600 -0.011 0.000 1.049 73 E CA -0.185 56.308 56.400 0.154 0.000 0.870 73 E CB 0.032 29.804 29.700 0.120 0.000 0.944 73 E HN 0.476 nan 8.360 nan 0.000 0.492 74 M N -0.933 118.594 119.600 -0.122 0.000 2.797 74 M HA -0.241 4.239 4.480 -0.000 0.000 0.171 74 M C 1.063 177.143 176.300 -0.366 0.000 0.647 74 M CA 1.391 56.497 55.300 -0.322 0.000 0.598 74 M CB -2.882 29.313 32.600 -0.674 0.000 2.180 74 M HN 0.452 nan 8.290 nan 0.000 0.429 75 G N 0.344 109.028 108.800 -0.192 0.000 2.198 75 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.260 75 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.260 75 G C 0.070 174.850 174.900 -0.199 0.000 1.025 75 G CA 0.988 45.995 45.100 -0.155 0.000 0.769 75 G HN 1.105 nan 8.290 nan 0.000 0.507 76 S N -1.211 114.358 115.700 -0.219 0.000 2.541 76 S HA 0.570 5.040 4.470 -0.000 0.000 0.280 76 S C 1.181 175.797 174.600 0.027 0.000 1.112 76 S CA 0.314 58.428 58.200 -0.143 0.000 0.925 76 S CB 1.171 64.138 63.200 -0.388 0.000 1.067 76 S HN 0.374 nan 8.310 nan 0.000 0.479 77 E N 3.374 123.605 120.200 0.052 0.000 2.265 77 E HA -0.083 4.266 4.350 -0.000 0.000 0.196 77 E C 1.396 178.035 176.600 0.064 0.000 0.996 77 E CA 0.978 57.414 56.400 0.059 0.000 0.832 77 E CB -0.287 29.441 29.700 0.047 0.000 0.756 77 E HN 0.718 nan 8.360 nan 0.000 0.491 78 I N 0.149 120.777 120.570 0.096 0.000 2.361 78 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 78 I C 1.052 177.099 176.117 -0.118 0.000 1.133 78 I CA 1.176 62.471 61.300 -0.009 0.000 1.413 78 I CB -0.059 38.022 38.000 0.135 0.000 1.073 78 I HN 0.110 nan 8.210 nan 0.000 0.424 79 Y N 0.137 120.466 120.300 0.048 0.000 2.658 79 Y HA 0.273 4.823 4.550 -0.001 0.000 0.276 79 Y C 0.823 176.807 175.900 0.140 0.000 1.167 79 Y CA -0.863 57.289 58.100 0.086 0.000 1.230 79 Y CB -0.108 38.384 38.460 0.053 0.000 1.144 79 Y HN -0.056 nan 8.280 nan 0.000 0.529 80 R N 0.871 121.475 120.500 0.174 0.000 2.502 80 R HA 0.259 4.599 4.340 -0.000 0.000 0.292 80 R C 1.326 177.725 176.300 0.165 0.000 0.998 80 R CA 1.242 57.426 56.100 0.140 0.000 1.056 80 R CB -0.316 30.035 30.300 0.085 0.000 0.939 80 R HN 0.574 nan 8.270 nan 0.000 0.411 81 G N 3.696 112.589 108.800 0.155 0.000 2.168 81 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.263 81 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.263 81 G C 0.029 175.037 174.900 0.180 0.000 0.977 81 G CA 0.219 45.398 45.100 0.131 0.000 0.659 81 G HN 0.727 nan 8.290 nan 0.000 0.533 82 W N 1.213 122.564 121.300 0.085 0.000 2.322 82 W HA 0.539 5.198 4.660 -0.000 0.000 0.328 82 W C 0.034 176.602 176.519 0.083 0.000 1.395 82 W CA 0.045 57.453 57.345 0.106 0.000 1.267 82 W CB 0.751 30.357 29.460 0.242 0.000 1.259 82 W HN 0.199 nan 8.180 nan 0.000 0.560 83 Q N 8.342 127.571 119.800 -0.951 0.000 2.363 83 Q HA 0.391 4.730 4.340 -0.000 0.000 0.265 83 Q C -2.472 172.900 176.000 -1.047 0.000 1.032 83 Q CA -2.204 53.137 55.803 -0.770 0.000 0.746 83 Q CB 1.409 29.899 28.738 -0.412 0.000 1.237 83 Q HN 0.144 nan 8.270 nan 0.000 0.475 84 P HA 0.114 nan 4.420 nan 0.000 0.269 84 P C -0.131 177.026 177.300 -0.238 0.000 1.215 84 P CA -0.216 62.674 63.100 -0.350 0.000 0.780 84 P CB 0.943 32.604 31.700 -0.065 0.000 0.898 85 R N 1.823 122.244 120.500 -0.131 0.000 2.093 85 R HA 0.007 4.347 4.340 -0.000 0.000 0.224 85 R C 0.403 176.673 176.300 -0.049 0.000 1.101 85 R CA 1.439 57.487 56.100 -0.087 0.000 0.979 85 R CB -0.516 29.760 30.300 -0.039 0.000 0.877 85 R HN 0.603 nan 8.270 nan 0.000 0.441 86 S N -0.659 115.028 115.700 -0.021 0.000 2.638 86 S HA 0.464 4.934 4.470 -0.000 0.000 0.302 86 S C -1.009 173.593 174.600 0.002 0.000 1.096 86 S CA -1.143 57.054 58.200 -0.006 0.000 0.953 86 S CB 1.910 65.114 63.200 0.008 0.000 1.107 86 S HN 0.062 nan 8.310 nan 0.000 0.503 87 D N 1.408 121.811 120.400 0.005 0.000 2.304 87 D HA 0.485 5.125 4.640 -0.000 0.000 0.250 87 D C 0.436 176.748 176.300 0.021 0.000 1.107 87 D CA 0.118 54.126 54.000 0.013 0.000 0.885 87 D CB 1.492 42.299 40.800 0.011 0.000 1.192 87 D HN 0.829 nan 8.370 nan 0.000 0.436 88 A N 3.912 126.749 122.820 0.029 0.000 2.483 88 A HA 0.195 4.515 4.320 -0.000 0.000 0.238 88 A C -1.337 176.262 177.584 0.025 0.000 1.070 88 A CA -0.787 51.270 52.037 0.033 0.000 0.770 88 A CB 0.120 19.145 19.000 0.041 0.000 1.008 88 A HN 0.340 nan 8.150 nan 0.000 0.497 89 P HA -0.200 nan 4.420 nan 0.000 0.216 89 P C 1.567 178.877 177.300 0.015 0.000 1.154 89 P CA 2.188 65.298 63.100 0.017 0.000 0.865 89 P CB -0.269 31.440 31.700 0.015 0.000 0.789 90 V N -3.661 116.263 119.914 0.017 0.000 2.515 90 V HA -0.166 3.954 4.120 -0.000 0.000 0.250 90 V C 2.070 178.172 176.094 0.013 0.000 1.058 90 V CA 1.712 64.019 62.300 0.013 0.000 1.064 90 V CB -1.722 30.110 31.823 0.016 0.000 0.675 90 V HN -0.046 nan 8.190 nan 0.000 0.461 91 V N -0.265 119.661 119.914 0.019 0.000 2.358 91 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 91 V C 2.747 178.850 176.094 0.015 0.000 1.047 91 V CA 2.267 64.578 62.300 0.020 0.000 1.035 91 V CB -0.560 31.277 31.823 0.024 0.000 0.658 91 V HN 0.397 nan 8.190 nan 0.000 0.452 92 M N -1.110 118.499 119.600 0.014 0.000 2.213 92 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 92 M C 2.147 178.452 176.300 0.009 0.000 1.062 92 M CA 1.726 57.032 55.300 0.011 0.000 1.105 92 M CB -0.984 31.623 32.600 0.011 0.000 1.385 92 M HN 0.332 nan 8.290 nan 0.000 0.417 93 M N -0.529 119.076 119.600 0.008 0.000 2.117 93 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 93 M C 2.115 178.416 176.300 0.001 0.000 1.065 93 M CA 1.442 56.744 55.300 0.004 0.000 1.114 93 M CB -0.463 32.137 32.600 0.000 0.000 1.361 93 M HN 0.208 nan 8.290 nan 0.000 0.408 94 L N -0.171 121.053 121.223 0.002 0.000 2.027 94 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 94 L C 2.516 179.389 176.870 0.005 0.000 1.074 94 L CA 1.296 56.137 54.840 0.001 0.000 0.745 94 L CB -0.624 41.438 42.059 0.004 0.000 0.898 94 L HN 0.241 nan 8.230 nan 0.000 0.433 95 K N 0.077 120.482 120.400 0.008 0.000 2.063 95 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 95 K C 2.189 178.794 176.600 0.008 0.000 1.048 95 K CA 1.276 57.568 56.287 0.009 0.000 0.928 95 K CB -0.236 32.270 32.500 0.011 0.000 0.713 95 K HN 0.275 nan 8.250 nan 0.000 0.442 96 R N 0.380 120.885 120.500 0.007 0.000 2.189 96 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 96 R C 1.981 178.285 176.300 0.007 0.000 1.092 96 R CA 0.932 57.036 56.100 0.007 0.000 0.989 96 R CB -0.119 30.186 30.300 0.008 0.000 0.876 96 R HN 0.169 nan 8.270 nan 0.000 0.457 97 A N -0.279 122.544 122.820 0.006 0.000 2.251 97 A HA 0.232 4.552 4.320 -0.000 0.000 0.209 97 A C 1.342 178.929 177.584 0.005 0.000 1.187 97 A CA 0.762 52.802 52.037 0.005 0.000 0.823 97 A CB 0.149 19.149 19.000 0.001 0.000 0.846 97 A HN 0.415 nan 8.150 nan 0.000 0.486 98 G N -2.127 106.676 108.800 0.006 0.000 2.159 98 G HA2 0.131 4.090 3.960 -0.000 0.000 0.227 98 G HA3 0.131 4.090 3.960 -0.000 0.000 0.227 98 G C 0.447 175.350 174.900 0.006 0.000 0.986 98 G CA 0.222 45.326 45.100 0.006 0.000 0.651 98 G HN 1.466 nan 8.290 nan 0.000 0.523 99 A N -0.302 122.521 122.820 0.005 0.000 2.313 99 A HA 0.754 5.074 4.320 -0.000 0.000 0.261 99 A C 0.579 178.168 177.584 0.009 0.000 1.090 99 A CA 0.993 53.032 52.037 0.004 0.000 0.807 99 A CB 0.546 19.547 19.000 0.002 0.000 1.055 99 A HN 0.755 nan 8.150 nan 0.000 0.492 100 T N 2.147 116.705 114.554 0.008 0.000 2.770 100 T HA 0.408 4.757 4.350 -0.000 0.000 0.283 100 T C -0.147 174.565 174.700 0.020 0.000 0.988 100 T CA -0.203 61.906 62.100 0.015 0.000 0.957 100 T CB 0.504 69.377 68.868 0.008 0.000 0.930 100 T HN 0.362 nan 8.240 nan 0.000 0.443 101 I N 4.650 125.241 120.570 0.034 0.000 2.278 101 I HA 0.213 4.383 4.170 -0.000 0.000 0.296 101 I C 1.254 177.412 176.117 0.069 0.000 1.121 101 I CA -0.121 61.210 61.300 0.050 0.000 1.267 101 I CB -0.100 37.929 38.000 0.048 0.000 1.447 101 I HN 0.745 nan 8.210 nan 0.000 0.509 102 I N 4.361 124.973 120.570 0.071 0.000 3.251 102 I HA 0.152 4.322 4.170 -0.000 0.000 0.277 102 I C 0.917 177.129 176.117 0.158 0.000 1.268 102 I CA 0.428 61.772 61.300 0.073 0.000 1.449 102 I CB 0.389 38.351 38.000 -0.063 0.000 1.083 102 I HN 0.705 nan 8.210 nan 0.000 0.464 103 G N 0.213 109.150 108.800 0.229 0.000 2.316 103 G HA2 0.163 4.123 3.960 -0.000 0.000 0.296 103 G HA3 0.163 4.123 3.960 -0.000 0.000 0.296 103 G C -1.806 173.293 174.900 0.331 0.000 1.399 103 G CA -0.850 44.442 45.100 0.320 0.000 0.833 103 G HN -0.188 nan 8.290 nan 0.000 0.565 104 K N 1.392 121.971 120.400 0.299 0.000 2.213 104 K HA 0.617 4.937 4.320 -0.000 0.000 0.270 104 K C 0.464 177.109 176.600 0.074 0.000 1.002 104 K CA -0.463 55.911 56.287 0.146 0.000 0.868 104 K CB 1.377 33.941 32.500 0.106 0.000 1.093 104 K HN 0.872 nan 8.250 nan 0.000 0.454 105 T N -1.547 112.931 114.554 -0.126 0.000 2.918 105 T HA 0.264 4.613 4.350 -0.000 0.000 0.283 105 T C 0.549 175.154 174.700 -0.158 0.000 1.001 105 T CA -0.779 61.129 62.100 -0.320 0.000 1.041 105 T CB 0.680 69.270 68.868 -0.464 0.000 1.028 105 T HN 0.553 nan 8.240 nan 0.000 0.511 106 T N -0.285 114.176 114.554 -0.154 0.000 2.932 106 T HA 0.406 4.756 4.350 -0.000 0.000 0.312 106 T C 0.162 174.813 174.700 -0.081 0.000 1.071 106 T CA -0.536 61.516 62.100 -0.081 0.000 1.128 106 T CB 0.622 69.457 68.868 -0.054 0.000 0.984 106 T HN 0.935 nan 8.240 nan 0.000 0.549 107 T N 1.532 116.052 114.554 -0.056 0.000 2.909 107 T HA 0.582 4.932 4.350 -0.000 0.000 0.299 107 T C 0.208 174.882 174.700 -0.043 0.000 1.073 107 T CA -0.441 61.631 62.100 -0.047 0.000 0.999 107 T CB 1.342 70.183 68.868 -0.044 0.000 1.098 107 T HN 1.104 nan 8.240 nan 0.000 0.477 108 T N 1.828 116.367 114.554 -0.026 0.000 2.802 108 T HA 0.559 4.908 4.350 -0.000 0.000 0.305 108 T C 0.799 175.476 174.700 -0.038 0.000 1.053 108 T CA -0.382 61.709 62.100 -0.015 0.000 1.058 108 T CB 0.159 69.031 68.868 0.008 0.000 0.988 108 T HN 0.996 nan 8.240 nan 0.000 0.539 109 A N 1.418 124.218 122.820 -0.034 0.000 2.561 109 A HA 0.385 4.705 4.320 -0.000 0.000 0.251 109 A C 0.527 178.128 177.584 0.028 0.000 1.062 109 A CA -0.436 51.533 52.037 -0.113 0.000 0.761 109 A CB -1.518 17.491 19.000 0.015 0.000 0.986 109 A HN 1.044 nan 8.150 nan 0.000 0.510 110 F N 0.449 120.436 119.950 0.062 0.000 3.100 110 F HA -0.278 4.249 4.527 -0.000 0.000 0.283 110 F C 1.411 177.283 175.800 0.120 0.000 0.900 110 F CA 1.355 59.413 58.000 0.097 0.000 1.010 110 F CB -2.013 37.076 39.000 0.148 0.000 1.029 110 F HN 1.800 nan 8.300 nan 0.000 0.637 111 A N -1.168 121.723 122.820 0.118 0.000 2.832 111 A HA -0.159 4.161 4.320 -0.000 0.000 0.280 111 A C 1.029 178.577 177.584 -0.061 0.000 1.464 111 A CA 1.260 53.318 52.037 0.034 0.000 0.804 111 A CB -1.669 17.357 19.000 0.043 0.000 1.020 111 A HN 0.846 nan 8.150 nan 0.000 0.563 112 S N -1.721 113.982 115.700 0.004 0.000 2.638 112 S HA 0.599 5.068 4.470 -0.000 0.000 0.256 112 S C 1.541 176.135 174.600 -0.010 0.000 1.089 112 S CA 0.084 58.249 58.200 -0.058 0.000 1.020 112 S CB 0.532 63.785 63.200 0.089 0.000 1.252 112 S HN 0.529 nan 8.310 nan 0.000 0.542 113 R N 0.677 121.187 120.500 0.017 0.000 2.148 113 R HA 0.092 4.432 4.340 -0.000 0.000 0.223 113 R C -0.264 176.060 176.300 0.040 0.000 1.088 113 R CA 0.650 56.767 56.100 0.028 0.000 0.985 113 R CB -0.384 29.936 30.300 0.034 0.000 0.880 113 R HN 0.564 nan 8.270 nan 0.000 0.451 114 D N 2.985 123.415 120.400 0.049 0.000 2.389 114 D HA 0.045 4.684 4.640 -0.000 0.000 0.263 114 D C -2.234 174.085 176.300 0.033 0.000 1.255 114 D CA -0.666 53.361 54.000 0.044 0.000 0.914 114 D CB 0.778 41.611 40.800 0.054 0.000 1.116 114 D HN -0.021 nan 8.370 nan 0.000 0.502 115 P HA -0.057 nan 4.420 nan 0.000 0.266 115 P C 0.382 177.693 177.300 0.018 0.000 1.193 115 P CA 0.125 63.241 63.100 0.028 0.000 0.770 115 P CB 0.585 32.301 31.700 0.027 0.000 0.836 116 T N -0.961 113.602 114.554 0.015 0.000 2.852 116 T HA 0.531 4.881 4.350 -0.000 0.000 0.281 116 T C 1.046 175.754 174.700 0.014 0.000 0.993 116 T CA -0.213 61.891 62.100 0.007 0.000 0.933 116 T CB 0.712 69.580 68.868 0.000 0.000 1.187 116 T HN 0.238 nan 8.240 nan 0.000 0.559 117 A N -0.062 122.765 122.820 0.010 0.000 2.275 117 A HA 0.335 4.655 4.320 -0.000 0.000 0.212 117 A C 1.202 178.834 177.584 0.079 0.000 1.201 117 A CA -0.257 51.788 52.037 0.014 0.000 0.843 117 A CB -0.903 18.066 19.000 -0.050 0.000 0.873 117 A HN 0.818 nan 8.150 nan 0.000 0.492 118 T N 1.141 115.739 114.554 0.073 0.000 2.932 118 T HA 0.407 4.757 4.350 -0.000 0.000 0.312 118 T C -0.070 174.677 174.700 0.078 0.000 1.071 118 T CA 0.627 62.780 62.100 0.089 0.000 1.128 118 T CB 0.402 69.282 68.868 0.021 0.000 0.984 118 T HN 0.253 nan 8.240 nan 0.000 0.549 119 L N 2.528 123.790 121.223 0.065 0.000 2.341 119 L HA 0.467 4.807 4.340 -0.000 0.000 0.267 119 L C 0.591 177.475 176.870 0.023 0.000 1.009 119 L CA -1.245 53.623 54.840 0.047 0.000 0.819 119 L CB 1.322 43.407 42.059 0.043 0.000 1.323 119 L HN 0.524 nan 8.230 nan 0.000 0.425 120 N N 2.275 121.006 118.700 0.052 0.000 2.468 120 N HA 0.063 4.803 4.740 -0.000 0.000 0.265 120 N C -1.947 173.568 175.510 0.010 0.000 1.199 120 N CA -1.137 51.951 53.050 0.063 0.000 0.928 120 N CB 1.664 40.219 38.487 0.113 0.000 1.059 120 N HN 0.304 nan 8.380 nan 0.000 0.467 121 P HA -0.102 nan 4.420 nan 0.000 0.219 121 P C 0.641 177.769 177.300 -0.287 0.000 1.146 121 P CA 1.272 64.252 63.100 -0.201 0.000 0.808 121 P CB 0.123 31.648 31.700 -0.291 0.000 0.779 122 H N -2.722 116.340 119.070 -0.014 0.000 2.512 122 H HA 0.159 4.715 4.556 -0.000 0.000 0.279 122 H C 0.528 175.842 175.328 -0.023 0.000 0.999 122 H CA 0.848 56.882 56.048 -0.023 0.000 1.283 122 H CB 0.181 29.923 29.762 -0.034 0.000 1.421 122 H HN 0.144 nan 8.280 nan 0.000 0.554 123 N N 0.450 119.197 118.700 0.079 0.000 2.976 123 N HA -0.073 4.667 4.740 -0.000 0.000 0.249 123 N C 0.469 176.045 175.510 0.109 0.000 1.258 123 N CA 0.234 53.334 53.050 0.084 0.000 0.864 123 N CB 0.765 39.301 38.487 0.082 0.000 1.551 123 N HN 0.081 nan 8.380 nan 0.000 0.607 124 T N -0.940 113.649 114.554 0.058 0.000 3.118 124 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 124 T C 1.488 176.220 174.700 0.053 0.000 1.166 124 T CA 1.236 63.361 62.100 0.042 0.000 1.073 124 T CB -0.200 68.674 68.868 0.010 0.000 0.884 124 T HN 0.437 nan 8.240 nan 0.000 0.550 125 G N -0.425 108.425 108.800 0.083 0.000 3.042 125 G HA2 0.172 4.132 3.960 -0.000 0.000 0.212 125 G HA3 0.172 4.132 3.960 -0.000 0.000 0.212 125 G C 0.301 175.098 174.900 -0.172 0.000 1.166 125 G CA -0.365 44.727 45.100 -0.013 0.000 0.767 125 G HN 0.575 nan 8.290 nan 0.000 0.546 126 H N -0.407 118.653 119.070 -0.017 0.000 2.731 126 H HA 0.400 4.956 4.556 -0.000 0.000 0.368 126 H C -0.497 174.814 175.328 -0.028 0.000 1.168 126 H CA -0.598 55.426 56.048 -0.040 0.000 1.181 126 H CB 2.023 31.745 29.762 -0.068 0.000 1.743 126 H HN 0.104 nan 8.280 nan 0.000 0.547 127 S N 1.901 117.635 115.700 0.057 0.000 2.576 127 S HA 0.061 4.531 4.470 -0.000 0.000 0.276 127 S C -1.640 173.020 174.600 0.099 0.000 1.339 127 S CA -1.052 57.183 58.200 0.059 0.000 1.039 127 S CB 0.587 63.819 63.200 0.052 0.000 0.902 127 S HN 0.534 nan 8.310 nan 0.000 0.516 128 P HA 0.273 nan 4.420 nan 0.000 0.261 128 P C 0.718 178.179 177.300 0.269 0.000 1.268 128 P CA 0.486 63.681 63.100 0.158 0.000 0.833 128 P CB -0.491 31.247 31.700 0.063 0.000 1.231 129 G N -0.802 108.210 108.800 0.354 0.000 2.728 129 G HA2 0.228 4.188 3.960 -0.000 0.000 0.294 129 G HA3 0.228 4.188 3.960 -0.000 0.000 0.294 129 G C -0.418 174.566 174.900 0.140 0.000 1.342 129 G CA -0.654 44.666 45.100 0.367 0.000 0.866 129 G HN 0.572 nan 8.290 nan 0.000 0.534 130 G N -2.383 106.466 108.800 0.082 0.000 2.608 130 G HA2 0.762 4.722 3.960 -0.000 0.000 0.291 130 G HA3 0.762 4.722 3.960 -0.000 0.000 0.291 130 G C 0.770 175.689 174.900 0.032 0.000 1.425 130 G CA 0.835 45.962 45.100 0.045 0.000 0.787 130 G HN 2.083 nan 8.290 nan 0.000 0.484 131 S N -1.226 114.489 115.700 0.024 0.000 2.528 131 S HA 0.082 4.552 4.470 -0.000 0.000 0.219 131 S C 1.202 175.807 174.600 0.009 0.000 0.985 131 S CA 0.811 59.018 58.200 0.012 0.000 0.914 131 S CB 0.197 63.394 63.200 -0.005 0.000 0.776 131 S HN 0.430 nan 8.310 nan 0.000 0.526 132 S N 2.725 118.446 115.700 0.034 0.000 3.811 132 S HA 0.264 4.734 4.470 -0.000 0.000 0.205 132 S C 1.129 175.646 174.600 -0.138 0.000 1.445 132 S CA -0.290 57.904 58.200 -0.010 0.000 1.097 132 S CB -0.372 62.918 63.200 0.149 0.000 1.350 132 S HN 0.505 nan 8.310 nan 0.000 0.471 133 S N 2.378 118.022 115.700 -0.095 0.000 2.351 133 S HA -0.133 4.337 4.470 -0.000 0.000 0.220 133 S C 2.356 176.842 174.600 -0.190 0.000 1.035 133 S CA 1.501 59.641 58.200 -0.101 0.000 1.031 133 S CB -0.735 62.439 63.200 -0.043 0.000 0.928 133 S HN 0.742 nan 8.310 nan 0.000 0.433 134 G N 0.955 109.629 108.800 -0.210 0.000 2.422 134 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 134 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 134 G C 1.587 176.228 174.900 -0.432 0.000 1.146 134 G CA 1.148 46.069 45.100 -0.297 0.000 0.769 134 G HN 0.508 nan 8.290 nan 0.000 0.547 135 S N 0.921 116.334 115.700 -0.479 0.000 2.356 135 S HA -0.017 4.453 4.470 -0.000 0.000 0.223 135 S C 2.795 176.900 174.600 -0.826 0.000 1.032 135 S CA 1.258 59.092 58.200 -0.610 0.000 1.005 135 S CB -0.367 62.479 63.200 -0.591 0.000 0.867 135 S HN 0.584 nan 8.310 nan 0.000 0.449 136 A N 1.458 123.664 122.820 -1.024 0.000 1.898 136 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 136 A C 2.349 179.755 177.584 -0.297 0.000 1.181 136 A CA 1.652 53.250 52.037 -0.733 0.000 0.620 136 A CB -1.084 17.646 19.000 -0.450 0.000 0.819 136 A HN 0.507 nan 8.150 nan 0.000 0.442 137 A N -0.124 122.546 122.820 -0.249 0.000 1.902 137 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 137 A C 2.501 179.993 177.584 -0.154 0.000 1.181 137 A CA 2.060 54.009 52.037 -0.148 0.000 0.623 137 A CB -0.999 17.928 19.000 -0.121 0.000 0.818 137 A HN 1.012 nan 8.150 nan 0.000 0.443 138 A N -0.569 122.118 122.820 -0.221 0.000 1.877 138 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 138 A C 2.239 179.766 177.584 -0.094 0.000 1.186 138 A CA 1.853 53.793 52.037 -0.162 0.000 0.620 138 A CB -0.974 17.838 19.000 -0.313 0.000 0.822 138 A HN 0.393 nan 8.150 nan 0.000 0.443 139 V N -0.087 119.758 119.914 -0.114 0.000 2.358 139 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 139 V C 2.797 178.877 176.094 -0.024 0.000 1.047 139 V CA 1.906 64.181 62.300 -0.042 0.000 1.035 139 V CB -1.387 30.437 31.823 0.002 0.000 0.658 139 V HN 0.621 nan 8.190 nan 0.000 0.452 140 G N -0.475 108.307 108.800 -0.030 0.000 2.448 140 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 140 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 140 G C 1.443 176.290 174.900 -0.088 0.000 1.127 140 G CA 0.846 45.945 45.100 -0.002 0.000 0.766 140 G HN 0.631 nan 8.290 nan 0.000 0.552 141 A N -0.325 122.435 122.820 -0.100 0.000 2.251 141 A HA 0.491 4.811 4.320 -0.000 0.000 0.209 141 A C 1.923 179.466 177.584 -0.070 0.000 1.187 141 A CA 1.136 53.105 52.037 -0.114 0.000 0.823 141 A CB -0.427 18.514 19.000 -0.098 0.000 0.846 141 A HN 1.526 nan 8.150 nan 0.000 0.486 142 G N -0.905 107.867 108.800 -0.047 0.000 2.160 142 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.251 142 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.251 142 G C 0.791 175.678 174.900 -0.023 0.000 1.008 142 G CA 0.743 45.825 45.100 -0.030 0.000 0.724 142 G HN 0.401 nan 8.290 nan 0.000 0.514 143 M N -0.542 119.051 119.600 -0.013 0.000 2.193 143 M HA 0.270 4.750 4.480 -0.000 0.000 0.265 143 M C 1.521 177.820 176.300 -0.001 0.000 1.071 143 M CA 1.646 56.948 55.300 0.003 0.000 1.140 143 M CB 0.005 32.648 32.600 0.072 0.000 1.369 143 M HN 0.588 nan 8.290 nan 0.000 0.423 144 I N -3.797 116.780 120.570 0.012 0.000 2.865 144 I HA 0.380 4.550 4.170 -0.000 0.000 0.302 144 I C -2.402 173.713 176.117 -0.003 0.000 1.140 144 I CA -2.186 59.118 61.300 0.007 0.000 1.021 144 I CB 1.965 39.993 38.000 0.048 0.000 1.233 144 I HN -0.217 nan 8.210 nan 0.000 0.427 145 P HA 0.141 nan 4.420 nan 0.000 0.235 145 P C -0.141 177.157 177.300 -0.004 0.000 1.177 145 P CA 0.621 63.713 63.100 -0.012 0.000 0.785 145 P CB 0.831 32.519 31.700 -0.020 0.000 0.885 146 L N -0.978 120.250 121.223 0.007 0.000 2.518 146 L HA 0.756 5.096 4.340 -0.000 0.000 0.257 146 L C -1.914 174.979 176.870 0.039 0.000 0.980 146 L CA -0.905 53.949 54.840 0.023 0.000 0.837 146 L CB 2.227 44.288 42.059 0.002 0.000 1.410 146 L HN -0.085 nan 8.230 nan 0.000 0.410 147 A N 3.584 126.454 122.820 0.084 0.000 2.589 147 A HA 0.758 5.078 4.320 -0.000 0.000 0.296 147 A C -2.040 175.656 177.584 0.186 0.000 1.062 147 A CA -0.519 51.569 52.037 0.085 0.000 0.686 147 A CB 1.297 20.294 19.000 -0.007 0.000 1.282 147 A HN 0.629 nan 8.150 nan 0.000 0.404 148 L N 1.502 122.801 121.223 0.127 0.000 2.334 148 L HA 0.802 5.141 4.340 -0.000 0.000 0.275 148 L C 0.809 177.795 176.870 0.193 0.000 1.036 148 L CA -0.339 54.586 54.840 0.142 0.000 0.807 148 L CB 1.933 44.034 42.059 0.069 0.000 1.231 148 L HN 0.986 nan 8.230 nan 0.000 0.438 149 G N 0.418 109.363 108.800 0.241 0.000 2.870 149 G HA2 0.739 4.699 3.960 -0.000 0.000 0.299 149 G HA3 0.739 4.699 3.960 -0.000 0.000 0.299 149 G C -1.149 173.845 174.900 0.157 0.000 1.324 149 G CA -0.176 45.081 45.100 0.262 0.000 0.808 149 G HN 0.557 nan 8.290 nan 0.000 0.535 150 T N -2.882 111.760 114.554 0.146 0.000 2.864 150 T HA 0.710 5.059 4.350 -0.000 0.000 0.299 150 T C -1.066 173.698 174.700 0.107 0.000 1.166 150 T CA -0.661 61.506 62.100 0.111 0.000 1.007 150 T CB 2.219 71.151 68.868 0.108 0.000 1.219 150 T HN 0.786 nan 8.240 nan 0.000 0.506 151 Q N 0.003 119.867 119.800 0.107 0.000 2.285 151 Q HA 0.598 4.938 4.340 -0.000 0.000 0.269 151 Q C -0.671 175.401 176.000 0.121 0.000 1.030 151 Q CA -0.657 55.206 55.803 0.100 0.000 0.788 151 Q CB 2.106 30.901 28.738 0.096 0.000 1.266 151 Q HN 0.824 nan 8.270 nan 0.000 0.438 152 T N 1.541 116.149 114.554 0.090 0.000 3.019 152 T HA 0.262 4.612 4.350 -0.000 0.000 0.247 152 T C 0.652 175.452 174.700 0.167 0.000 0.992 152 T CA 0.699 62.863 62.100 0.106 0.000 1.036 152 T CB 0.554 69.432 68.868 0.017 0.000 1.063 152 T HN 0.667 nan 8.240 nan 0.000 0.476 153 G N 0.591 109.438 108.800 0.079 0.000 2.534 153 G HA2 0.600 4.559 3.960 -0.000 0.000 0.220 153 G HA3 0.600 4.559 3.960 -0.000 0.000 0.220 153 G C 0.410 175.322 174.900 0.020 0.000 1.699 153 G CA 0.486 45.592 45.100 0.009 0.000 0.769 153 G HN 0.650 nan 8.290 nan 0.000 0.632 157 I N 1.335 121.900 120.570 -0.008 0.000 2.226 157 I HA -0.181 3.988 4.170 -0.000 0.000 0.245 157 I C 2.459 178.564 176.117 -0.019 0.000 1.100 157 I CA 2.338 63.630 61.300 -0.013 0.000 1.374 157 I CB -1.002 37.008 38.000 0.018 0.000 1.057 157 I HN 0.401 nan 8.210 nan 0.000 0.413 158 R N 1.365 121.830 120.500 -0.058 0.000 2.070 158 R HA -0.115 4.225 4.340 -0.000 0.000 0.233 158 R C -0.435 175.645 176.300 -0.367 0.000 1.137 158 R CA 1.832 57.773 56.100 -0.265 0.000 0.945 158 R CB -1.110 29.021 30.300 -0.282 0.000 0.845 158 R HN 0.222 nan 8.270 nan 0.000 0.430 159 P HA -0.104 nan 4.420 nan 0.000 0.218 159 P C 0.829 178.210 177.300 0.134 0.000 1.149 159 P CA 1.814 64.921 63.100 0.012 0.000 0.817 159 P CB -0.037 31.706 31.700 0.071 0.000 0.785 160 A N 0.868 123.838 122.820 0.250 0.000 1.877 160 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 160 A C 2.535 180.201 177.584 0.136 0.000 1.186 160 A CA 2.304 54.511 52.037 0.284 0.000 0.620 160 A CB -1.578 17.549 19.000 0.211 0.000 0.822 160 A HN 0.226 nan 8.150 nan 0.000 0.443 161 A N -1.151 121.703 122.820 0.056 0.000 1.865 161 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 161 A C 2.158 179.838 177.584 0.160 0.000 1.191 161 A CA 1.543 53.613 52.037 0.056 0.000 0.623 161 A CB -1.038 17.961 19.000 -0.001 0.000 0.826 161 A HN 0.682 nan 8.150 nan 0.000 0.444 162 Y N -1.013 119.316 120.300 0.049 0.000 2.207 162 Y HA -0.294 4.256 4.550 -0.000 0.000 0.287 162 Y C 2.441 178.366 175.900 0.041 0.000 1.156 162 Y CA 0.805 58.925 58.100 0.033 0.000 1.182 162 Y CB -0.268 38.226 38.460 0.057 0.000 0.979 162 Y HN 0.382 nan 8.280 nan 0.000 0.521 163 C N -0.348 119.100 119.300 0.248 0.000 2.697 163 C HA 0.304 4.763 4.460 -0.000 0.000 0.267 163 C C 1.630 176.765 174.990 0.240 0.000 1.278 163 C CA 0.508 59.680 59.018 0.257 0.000 1.708 163 C CB -0.783 27.057 27.740 0.166 0.000 1.860 163 C HN 0.788 nan 8.230 nan 0.000 0.589 164 G N 2.553 111.407 108.800 0.090 0.000 2.273 164 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.280 164 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.280 164 G C 0.098 175.053 174.900 0.093 0.000 1.047 164 G CA 0.747 45.864 45.100 0.029 0.000 0.869 164 G HN 0.700 nan 8.290 nan 0.000 0.502 165 T N -2.847 111.776 114.554 0.114 0.000 2.942 165 T HA 0.884 5.233 4.350 -0.000 0.000 0.289 165 T C 0.400 175.146 174.700 0.077 0.000 1.044 165 T CA 0.308 62.474 62.100 0.110 0.000 1.023 165 T CB 2.285 71.256 68.868 0.172 0.000 1.123 165 T HN 1.727 nan 8.240 nan 0.000 0.512 166 A N 0.939 123.780 122.820 0.035 0.000 2.322 166 A HA 0.860 5.180 4.320 -0.000 0.000 0.269 166 A C 0.338 177.898 177.584 -0.040 0.000 1.094 166 A CA -0.251 51.774 52.037 -0.019 0.000 0.807 166 A CB -0.173 18.791 19.000 -0.060 0.000 1.047 166 A HN 1.862 nan 8.150 nan 0.000 0.487 167 A N 0.720 123.469 122.820 -0.117 0.000 2.605 167 A HA 0.668 4.988 4.320 -0.000 0.000 0.294 167 A C -1.184 176.257 177.584 -0.238 0.000 1.062 167 A CA -0.219 51.653 52.037 -0.275 0.000 0.682 167 A CB 0.742 19.452 19.000 -0.483 0.000 1.278 167 A HN 1.681 nan 8.150 nan 0.000 0.410 168 I N 0.752 121.154 120.570 -0.279 0.000 2.607 168 I HA 0.522 4.692 4.170 -0.000 0.000 0.290 168 I C -0.786 175.231 176.117 -0.167 0.000 1.129 168 I CA -0.539 60.655 61.300 -0.178 0.000 1.042 168 I CB 1.764 39.688 38.000 -0.126 0.000 1.242 168 I HN 0.680 nan 8.210 nan 0.000 0.421 169 K N 9.094 129.442 120.400 -0.087 0.000 2.354 169 K HA 0.527 4.846 4.320 -0.000 0.000 0.257 169 K C -2.710 173.907 176.600 0.028 0.000 1.062 169 K CA -1.619 54.656 56.287 -0.021 0.000 0.971 169 K CB 1.107 33.628 32.500 0.035 0.000 1.305 169 K HN 0.274 nan 8.250 nan 0.000 0.449 170 P HA -0.016 nan 4.420 nan 0.000 0.272 170 P C -0.548 176.807 177.300 0.092 0.000 1.248 170 P CA -0.244 62.882 63.100 0.042 0.000 0.799 170 P CB 0.480 32.193 31.700 0.022 0.000 0.997 171 S N -0.088 115.634 115.700 0.037 0.000 2.558 171 S HA 0.011 4.481 4.470 -0.000 0.000 0.288 171 S C 0.147 174.891 174.600 0.241 0.000 1.318 171 S CA -0.122 58.094 58.200 0.027 0.000 1.056 171 S CB -0.589 62.321 63.200 -0.485 0.000 0.853 171 S HN 0.280 nan 8.310 nan 0.000 0.505 172 F N 3.802 123.976 119.950 0.373 0.000 2.623 172 F HA 0.005 4.531 4.527 -0.001 0.000 0.386 172 F C 1.520 177.489 175.800 0.281 0.000 1.068 172 F CA 0.425 58.621 58.000 0.326 0.000 1.265 172 F CB -0.182 39.026 39.000 0.345 0.000 1.026 172 F HN 0.772 nan 8.300 nan 0.000 0.568 173 R N 2.861 123.098 120.500 -0.438 0.000 3.994 173 R HA -0.312 4.027 4.340 -0.000 0.000 0.403 173 R C 1.583 177.818 176.300 -0.109 0.000 1.126 173 R CA 1.215 57.088 56.100 -0.379 0.000 1.143 173 R CB -1.936 28.076 30.300 -0.481 0.000 1.695 173 R HN 0.853 nan 8.270 nan 0.000 0.555 174 M N 0.686 120.265 119.600 -0.034 0.000 2.086 174 M HA -0.064 4.416 4.480 -0.000 0.000 0.261 174 M C 0.339 176.635 176.300 -0.006 0.000 1.067 174 M CA 1.758 57.054 55.300 -0.007 0.000 1.116 174 M CB 0.259 32.869 32.600 0.015 0.000 1.348 174 M HN 0.165 nan 8.290 nan 0.000 0.407 175 L N 2.443 123.659 121.223 -0.013 0.000 2.289 175 L HA 0.411 4.751 4.340 -0.000 0.000 0.285 175 L C -2.054 174.802 176.870 -0.023 0.000 1.049 175 L CA -2.322 52.512 54.840 -0.010 0.000 0.804 175 L CB 0.825 42.880 42.059 -0.005 0.000 1.195 175 L HN 0.124 nan 8.230 nan 0.000 0.428 176 P HA 0.057 nan 4.420 nan 0.000 0.271 176 P C 0.164 177.467 177.300 0.005 0.000 1.216 176 P CA -0.253 62.838 63.100 -0.014 0.000 0.776 176 P CB 0.906 32.605 31.700 -0.002 0.000 0.881 177 T N -1.979 112.582 114.554 0.012 0.000 3.186 177 T HA 0.159 4.509 4.350 -0.000 0.000 0.257 177 T C 0.670 175.402 174.700 0.054 0.000 1.029 177 T CA -0.351 61.777 62.100 0.047 0.000 0.916 177 T CB -0.483 68.431 68.868 0.077 0.000 1.041 177 T HN 0.084 nan 8.240 nan 0.000 0.562 178 V N 2.071 122.007 119.914 0.036 0.000 2.585 178 V HA 0.456 4.575 4.120 -0.000 0.000 0.296 178 V C 1.679 177.801 176.094 0.047 0.000 1.035 178 V CA 1.088 63.410 62.300 0.037 0.000 1.084 178 V CB 0.006 31.843 31.823 0.025 0.000 0.953 178 V HN 0.833 nan 8.190 nan 0.000 0.483 179 G N 3.749 112.583 108.800 0.056 0.000 2.148 179 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.254 179 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.254 179 G C -0.059 174.885 174.900 0.073 0.000 0.981 179 G CA 0.084 45.225 45.100 0.067 0.000 0.670 179 G HN 0.838 nan 8.290 nan 0.000 0.528 180 V N 0.673 120.633 119.914 0.076 0.000 2.357 180 V HA 0.492 4.612 4.120 -0.000 0.000 0.284 180 V C 0.648 176.801 176.094 0.099 0.000 1.018 180 V CA -1.220 61.130 62.300 0.084 0.000 0.841 180 V CB 1.628 33.504 31.823 0.089 0.000 0.991 180 V HN 0.357 nan 8.190 nan 0.000 0.437 181 K N 3.950 124.404 120.400 0.090 0.000 2.440 181 K HA -0.019 4.301 4.320 -0.000 0.000 0.275 181 K C -0.222 176.472 176.600 0.156 0.000 1.082 181 K CA 0.387 56.734 56.287 0.099 0.000 1.135 181 K CB -0.353 32.189 32.500 0.070 0.000 0.864 181 K HN 0.803 nan 8.250 nan 0.000 0.479 182 C N 5.921 125.318 119.300 0.163 0.000 2.593 182 C HA 0.319 4.779 4.460 -0.000 0.000 0.409 182 C C 0.950 176.075 174.990 0.224 0.000 1.304 182 C CA -0.510 58.636 59.018 0.214 0.000 2.007 182 C CB -0.626 27.253 27.740 0.232 0.000 2.614 182 C HN 0.952 nan 8.230 nan 0.000 0.585 183 Y N 2.882 123.257 120.300 0.124 0.000 2.678 183 Y HA 0.322 4.872 4.550 -0.000 0.000 0.274 183 Y C 1.167 177.073 175.900 0.011 0.000 1.114 183 Y CA 0.889 59.026 58.100 0.061 0.000 1.274 183 Y CB 0.053 38.548 38.460 0.059 0.000 1.438 183 Y HN 0.631 nan 8.280 nan 0.000 0.493 184 S N 0.273 116.114 115.700 0.235 0.000 2.776 184 S HA 0.175 4.645 4.470 -0.000 0.000 0.284 184 S C -0.245 174.409 174.600 0.090 0.000 1.160 184 S CA -0.593 57.599 58.200 -0.014 0.000 1.051 184 S CB -0.387 62.804 63.200 -0.015 0.000 1.037 184 S HN 0.448 nan 8.310 nan 0.000 0.485 185 W N 4.249 125.639 121.300 0.150 0.000 2.525 185 W HA 0.223 4.882 4.660 -0.002 0.000 0.259 185 W C 1.365 178.056 176.519 0.285 0.000 1.253 185 W CA 0.750 58.212 57.345 0.195 0.000 1.262 185 W CB -0.578 28.971 29.460 0.148 0.000 1.122 185 W HN 0.674 nan 8.180 nan 0.000 0.607 186 A N 0.406 123.203 122.820 -0.038 0.000 2.123 186 A HA 0.179 4.499 4.320 -0.000 0.000 0.214 186 A C 1.929 179.414 177.584 -0.164 0.000 1.152 186 A CA 1.084 53.112 52.037 -0.015 0.000 0.728 186 A CB -0.340 18.535 19.000 -0.209 0.000 0.814 186 A HN 0.457 nan 8.150 nan 0.000 0.464 187 L N -1.441 119.768 121.223 -0.022 0.000 2.515 187 L HA 0.154 4.494 4.340 -0.000 0.000 0.202 187 L C -0.341 176.678 176.870 0.249 0.000 1.056 187 L CA -0.350 54.482 54.840 -0.014 0.000 0.847 187 L CB -0.390 41.639 42.059 -0.049 0.000 1.131 187 L HN 0.027 nan 8.230 nan 0.000 0.484 188 D N 2.196 122.769 120.400 0.288 0.000 2.772 188 D HA 0.029 4.668 4.640 -0.000 0.000 0.227 188 D C -0.239 176.273 176.300 0.353 0.000 1.114 188 D CA 1.049 55.223 54.000 0.290 0.000 0.832 188 D CB 0.400 41.362 40.800 0.271 0.000 1.154 188 D HN 0.074 nan 8.370 nan 0.000 0.514 189 T N 1.473 116.186 114.554 0.265 0.000 2.991 189 T HA 0.313 4.663 4.350 -0.000 0.000 0.303 189 T C 0.026 174.809 174.700 0.138 0.000 1.015 189 T CA -0.756 61.486 62.100 0.236 0.000 1.007 189 T CB 1.492 70.543 68.868 0.304 0.000 1.034 189 T HN -0.002 nan 8.240 nan 0.000 0.446 190 V N 2.709 122.679 119.914 0.094 0.000 2.715 190 V HA 0.639 4.758 4.120 -0.000 0.000 0.299 190 V C 0.988 177.097 176.094 0.026 0.000 1.054 190 V CA 0.123 62.459 62.300 0.060 0.000 1.077 190 V CB 1.082 32.928 31.823 0.038 0.000 0.972 190 V HN 1.083 nan 8.190 nan 0.000 0.484 191 G N 3.444 112.243 108.800 -0.002 0.000 2.658 191 G HA2 0.735 4.695 3.960 -0.000 0.000 0.292 191 G HA3 0.735 4.695 3.960 -0.000 0.000 0.292 191 G C -1.843 172.976 174.900 -0.136 0.000 1.320 191 G CA -0.723 44.319 45.100 -0.096 0.000 0.933 191 G HN 0.457 nan 8.290 nan 0.000 0.476 192 L N -0.557 120.514 121.223 -0.253 0.000 2.370 192 L HA 0.687 5.027 4.340 -0.000 0.000 0.266 192 L C -1.113 175.529 176.870 -0.381 0.000 1.002 192 L CA -0.473 54.249 54.840 -0.197 0.000 0.818 192 L CB 2.040 44.015 42.059 -0.140 0.000 1.325 192 L HN 0.425 nan 8.230 nan 0.000 0.418 193 F N 0.422 120.341 119.950 -0.052 0.000 2.495 193 F HA 0.848 5.374 4.527 -0.000 0.000 0.327 193 F C 0.708 176.474 175.800 -0.058 0.000 1.103 193 F CA -0.450 57.520 58.000 -0.050 0.000 0.949 193 F CB 2.257 41.229 39.000 -0.047 0.000 1.142 193 F HN 0.474 nan 8.300 nan 0.000 0.457 194 G N 0.173 109.034 108.800 0.102 0.000 2.645 194 G HA2 0.526 4.485 3.960 -0.000 0.000 0.292 194 G HA3 0.526 4.485 3.960 -0.000 0.000 0.292 194 G C -0.125 174.782 174.900 0.011 0.000 1.415 194 G CA -0.199 44.917 45.100 0.027 0.000 0.785 194 G HN 0.780 nan 8.290 nan 0.000 0.483 195 A N -0.510 122.296 122.820 -0.024 0.000 1.841 195 A HA 0.337 4.656 4.320 -0.000 0.000 0.214 195 A C 1.413 178.961 177.584 -0.061 0.000 1.195 195 A CA 1.127 53.146 52.037 -0.031 0.000 0.611 195 A CB -0.174 18.799 19.000 -0.044 0.000 0.835 195 A HN 0.599 nan 8.150 nan 0.000 0.443 196 R N -3.767 116.662 120.500 -0.118 0.000 2.905 196 R HA 0.596 4.936 4.340 -0.000 0.000 0.260 196 R C 1.053 177.217 176.300 -0.226 0.000 1.086 196 R CA -0.145 55.848 56.100 -0.179 0.000 0.978 196 R CB 1.178 31.325 30.300 -0.255 0.000 1.215 196 R HN 0.180 nan 8.270 nan 0.000 0.480 197 A N 0.685 123.350 122.820 -0.258 0.000 1.908 197 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 197 A C 1.897 179.292 177.584 -0.314 0.000 1.181 197 A CA 2.075 53.980 52.037 -0.220 0.000 0.627 197 A CB -0.569 18.361 19.000 -0.116 0.000 0.818 197 A HN 0.882 nan 8.150 nan 0.000 0.445 198 E N -0.138 119.675 120.200 -0.645 0.000 2.153 198 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 198 E C 1.072 177.477 176.600 -0.325 0.000 0.988 198 E CA 1.384 57.377 56.400 -0.679 0.000 0.811 198 E CB -0.198 28.765 29.700 -1.228 0.000 0.746 198 E HN 0.613 nan 8.360 nan 0.000 0.466 199 D N 0.616 120.850 120.400 -0.277 0.000 2.144 199 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 199 D C 2.178 178.391 176.300 -0.144 0.000 0.978 199 D CA 0.790 54.688 54.000 -0.170 0.000 0.833 199 D CB -0.077 40.640 40.800 -0.138 0.000 0.961 199 D HN 0.326 nan 8.370 nan 0.000 0.470 200 L N 0.915 122.044 121.223 -0.157 0.000 2.056 200 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 200 L C 2.701 179.456 176.870 -0.191 0.000 1.078 200 L CA 0.930 55.674 54.840 -0.160 0.000 0.749 200 L CB -0.510 41.458 42.059 -0.151 0.000 0.901 200 L HN -0.043 nan 8.230 nan 0.000 0.433 201 A N 0.069 122.807 122.820 -0.137 0.000 1.883 201 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 201 A C 2.429 179.957 177.584 -0.094 0.000 1.186 201 A CA 1.409 53.401 52.037 -0.076 0.000 0.624 201 A CB -0.454 18.591 19.000 0.075 0.000 0.822 201 A HN 0.244 nan 8.150 nan 0.000 0.444 202 R N -0.771 119.687 120.500 -0.070 0.000 2.096 202 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 202 R C 2.383 178.633 176.300 -0.083 0.000 1.127 202 R CA 1.293 57.365 56.100 -0.047 0.000 0.968 202 R CB -1.171 29.104 30.300 -0.042 0.000 0.861 202 R HN 0.561 nan 8.270 nan 0.000 0.440 203 G N 1.002 109.729 108.800 -0.122 0.000 2.421 203 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 203 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 203 G C 1.603 176.393 174.900 -0.184 0.000 1.171 203 G CA 0.264 45.288 45.100 -0.127 0.000 0.775 203 G HN 0.184 nan 8.290 nan 0.000 0.543 204 L N -0.265 120.756 121.223 -0.336 0.000 2.093 204 L HA 0.007 4.346 4.340 -0.000 0.000 0.208 204 L C 2.672 179.333 176.870 -0.349 0.000 1.085 204 L CA 0.345 54.861 54.840 -0.541 0.000 0.755 204 L CB -0.346 40.956 42.059 -1.261 0.000 0.904 204 L HN 0.239 nan 8.230 nan 0.000 0.435 205 L N 0.341 121.454 121.223 -0.183 0.000 2.017 205 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 205 L C 2.606 179.495 176.870 0.032 0.000 1.073 205 L CA 2.139 57.018 54.840 0.066 0.000 0.745 205 L CB -0.768 41.356 42.059 0.109 0.000 0.894 205 L HN 0.124 nan 8.230 nan 0.000 0.432 206 A N -0.784 122.029 122.820 -0.012 0.000 1.930 206 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 206 A C 2.266 179.845 177.584 -0.008 0.000 1.175 206 A CA 2.032 54.066 52.037 -0.005 0.000 0.627 206 A CB -0.534 18.458 19.000 -0.015 0.000 0.815 206 A HN 0.559 nan 8.150 nan 0.000 0.443 207 M N -0.525 119.055 119.600 -0.033 0.000 2.156 207 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 207 M C 2.285 178.584 176.300 -0.001 0.000 1.067 207 M CA 1.954 57.238 55.300 -0.027 0.000 1.131 207 M CB -0.303 32.263 32.600 -0.056 0.000 1.368 207 M HN 0.683 nan 8.290 nan 0.000 0.416 208 T N -4.242 110.323 114.554 0.018 0.000 3.023 208 T HA 0.313 4.663 4.350 -0.000 0.000 0.249 208 T C 1.517 176.265 174.700 0.080 0.000 1.050 208 T CA 0.685 62.824 62.100 0.064 0.000 1.088 208 T CB 0.269 69.215 68.868 0.130 0.000 0.946 208 T HN 0.535 nan 8.240 nan 0.000 0.480 209 G N 2.295 111.149 108.800 0.090 0.000 2.155 209 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 209 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 209 G C 0.073 175.028 174.900 0.091 0.000 0.983 209 G CA -0.016 45.131 45.100 0.078 0.000 0.676 209 G HN 0.713 nan 8.290 nan 0.000 0.528 210 R N 0.696 121.286 120.500 0.149 0.000 2.347 210 R HA 0.409 4.749 4.340 -0.000 0.000 0.304 210 R C 1.973 178.299 176.300 0.043 0.000 1.072 210 R CA 0.352 56.503 56.100 0.085 0.000 0.980 210 R CB 0.850 31.202 30.300 0.087 0.000 0.986 210 R HN 0.448 nan 8.270 nan 0.000 0.448 211 S N 2.510 118.202 115.700 -0.014 0.000 2.419 211 S HA -0.241 4.228 4.470 -0.000 0.000 0.235 211 S C 1.513 176.067 174.600 -0.077 0.000 1.019 211 S CA 1.507 59.694 58.200 -0.022 0.000 0.982 211 S CB -0.242 62.942 63.200 -0.027 0.000 0.789 211 S HN 0.798 nan 8.310 nan 0.000 0.490 212 E N 0.557 120.630 120.200 -0.212 0.000 2.267 212 E HA -0.156 4.193 4.350 -0.000 0.000 0.197 212 E C 1.087 177.465 176.600 -0.369 0.000 0.998 212 E CA 1.006 57.197 56.400 -0.348 0.000 0.830 212 E CB -0.662 28.704 29.700 -0.556 0.000 0.751 212 E HN 0.757 nan 8.360 nan 0.000 0.491 213 F N 1.113 121.069 119.950 0.011 0.000 2.727 213 F HA 0.200 4.726 4.527 -0.000 0.000 0.302 213 F C 1.054 176.874 175.800 0.034 0.000 1.097 213 F CA -0.475 57.538 58.000 0.021 0.000 1.330 213 F CB 0.967 39.972 39.000 0.008 0.000 1.084 213 F HN -0.122 nan 8.300 nan 0.000 0.578 214 S N -0.253 115.533 115.700 0.143 0.000 2.480 214 S HA 0.498 4.968 4.470 -0.000 0.000 0.286 214 S C 0.820 175.471 174.600 0.086 0.000 1.180 214 S CA 0.240 58.505 58.200 0.109 0.000 1.075 214 S CB 0.994 64.237 63.200 0.072 0.000 0.996 214 S HN 0.609 nan 8.310 nan 0.000 0.487 215 G N 4.024 112.882 108.800 0.097 0.000 2.148 215 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.254 215 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.254 215 G C 0.168 175.125 174.900 0.096 0.000 0.981 215 G CA 0.181 45.330 45.100 0.081 0.000 0.670 215 G HN 0.747 nan 8.290 nan 0.000 0.528 216 I N 0.355 121.019 120.570 0.155 0.000 2.710 216 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 216 I C 0.712 176.948 176.117 0.197 0.000 1.181 216 I CA 0.280 61.693 61.300 0.189 0.000 1.430 216 I CB 0.910 39.077 38.000 0.279 0.000 1.367 216 I HN -0.048 nan 8.210 nan 0.000 0.577 217 V N 7.142 127.058 119.914 0.003 0.000 3.078 217 V HA 0.355 4.475 4.120 -0.000 0.000 0.311 217 V C -2.311 173.518 176.094 -0.442 0.000 1.138 217 V CA -1.775 60.299 62.300 -0.376 0.000 1.007 217 V CB 2.214 33.879 31.823 -0.264 0.000 1.045 217 V HN 0.577 nan 8.190 nan 0.000 0.432 218 P HA 0.109 nan 4.420 nan 0.000 0.263 218 P C -0.448 176.755 177.300 -0.160 0.000 1.175 218 P CA 0.446 63.245 63.100 -0.501 0.000 0.761 218 P CB 0.296 31.598 31.700 -0.664 0.000 0.794 219 A N 3.749 126.560 122.820 -0.015 0.000 2.346 219 A HA 0.368 4.688 4.320 -0.000 0.000 0.252 219 A C 0.156 177.669 177.584 -0.118 0.000 1.089 219 A CA 0.125 52.127 52.037 -0.059 0.000 0.797 219 A CB 0.218 19.167 19.000 -0.084 0.000 1.047 219 A HN 0.350 nan 8.150 nan 0.000 0.494 220 K N 0.217 120.516 120.400 -0.168 0.000 2.270 220 K HA 0.570 4.890 4.320 -0.000 0.000 0.255 220 K C 0.036 176.471 176.600 -0.274 0.000 0.936 220 K CA 0.032 56.218 56.287 -0.168 0.000 0.809 220 K CB 1.510 33.963 32.500 -0.078 0.000 1.131 220 K HN 1.563 nan 8.250 nan 0.000 0.427 221 A N 2.828 125.471 122.820 -0.294 0.000 2.151 221 A HA -0.159 4.161 4.320 -0.000 0.000 0.271 221 A C -2.146 175.271 177.584 -0.279 0.000 1.348 221 A CA -0.135 51.752 52.037 -0.249 0.000 0.763 221 A CB -1.828 17.113 19.000 -0.099 0.000 1.117 221 A HN 0.354 nan 8.150 nan 0.000 0.342 222 P HA 0.280 nan 4.420 nan 0.000 0.274 222 P C 0.094 177.314 177.300 -0.134 0.000 1.231 222 P CA -0.208 62.733 63.100 -0.265 0.000 0.790 222 P CB 0.552 32.027 31.700 -0.375 0.000 0.951 223 R N 2.563 123.038 120.500 -0.042 0.000 2.235 223 R HA 0.388 4.728 4.340 -0.000 0.000 0.338 223 R C -0.215 176.090 176.300 0.009 0.000 1.087 223 R CA -0.356 55.736 56.100 -0.014 0.000 0.948 223 R CB -0.035 30.267 30.300 0.002 0.000 1.099 223 R HN 0.497 nan 8.270 nan 0.000 0.483 224 I N 1.180 121.747 120.570 -0.005 0.000 2.392 224 I HA 0.299 4.469 4.170 -0.000 0.000 0.295 224 I C 0.849 176.956 176.117 -0.016 0.000 0.985 224 I CA -0.548 60.752 61.300 -0.000 0.000 1.221 224 I CB 1.955 39.959 38.000 0.006 0.000 1.366 224 I HN 0.541 nan 8.210 nan 0.000 0.467 225 G N 5.642 114.423 108.800 -0.032 0.000 2.437 225 G HA2 0.521 4.481 3.960 -0.000 0.000 0.315 225 G HA3 0.521 4.481 3.960 -0.000 0.000 0.315 225 G C -0.690 174.169 174.900 -0.068 0.000 1.210 225 G CA -0.336 44.731 45.100 -0.055 0.000 0.943 225 G HN 0.346 nan 8.290 nan 0.000 0.471 226 V N 3.264 123.139 119.914 -0.064 0.000 2.432 226 V HA 0.377 4.497 4.120 -0.000 0.000 0.271 226 V C 0.449 176.492 176.094 -0.085 0.000 1.046 226 V CA -0.402 61.843 62.300 -0.091 0.000 0.945 226 V CB 0.985 32.752 31.823 -0.092 0.000 0.992 226 V HN 0.709 nan 8.190 nan 0.000 0.471 227 V N 3.383 123.238 119.914 -0.098 0.000 2.487 227 V HA 0.589 4.709 4.120 -0.000 0.000 0.298 227 V C 0.422 176.437 176.094 -0.131 0.000 1.028 227 V CA -0.777 61.496 62.300 -0.045 0.000 0.860 227 V CB 1.540 33.415 31.823 0.086 0.000 0.991 227 V HN 0.734 nan 8.190 nan 0.000 0.427 228 R N 1.566 121.983 120.500 -0.139 0.000 2.359 228 R HA 0.259 4.598 4.340 -0.000 0.000 0.231 228 R C 0.051 176.292 176.300 -0.098 0.000 0.913 228 R CA -0.058 55.942 56.100 -0.167 0.000 1.075 228 R CB 0.104 30.365 30.300 -0.066 0.000 1.087 228 R HN 0.949 nan 8.270 nan 0.000 0.515 229 Q N 0.536 120.166 119.800 -0.283 0.000 2.437 229 Q HA -0.223 4.117 4.340 -0.000 0.000 0.354 229 Q C -0.169 175.151 176.000 -1.134 0.000 1.402 229 Q CA 0.445 55.625 55.803 -1.038 0.000 1.020 229 Q CB -0.817 27.501 28.738 -0.700 0.000 1.220 229 Q HN 0.304 nan 8.270 nan 0.000 0.368 230 E N -0.177 119.612 120.200 -0.684 0.000 2.267 230 E HA -0.188 4.161 4.350 -0.000 0.000 0.197 230 E C 1.213 177.531 176.600 -0.470 0.000 0.998 230 E CA 1.796 57.968 56.400 -0.381 0.000 0.830 230 E CB -0.331 29.295 29.700 -0.124 0.000 0.751 230 E HN 0.792 nan 8.360 nan 0.000 0.491 231 F N -0.695 118.985 119.950 -0.450 0.000 2.269 231 F HA 0.018 4.545 4.527 0.001 0.000 0.301 231 F C 1.962 177.184 175.800 -0.963 0.000 1.082 231 F CA 0.710 58.343 58.000 -0.612 0.000 1.360 231 F CB -0.605 37.924 39.000 -0.785 0.000 1.041 231 F HN -0.005 nan 8.300 nan 0.000 0.512 232 A N 0.449 122.578 122.820 -1.151 0.000 2.251 232 A HA 0.544 4.864 4.320 -0.000 0.000 0.209 232 A C 1.374 178.718 177.584 -0.400 0.000 1.187 232 A CA 0.486 51.971 52.037 -0.921 0.000 0.823 232 A CB -1.275 17.091 19.000 -1.057 0.000 0.846 232 A HN 0.950 nan 8.150 nan 0.000 0.486 233 G N -1.602 107.045 108.800 -0.255 0.000 2.756 233 G HA2 0.348 4.308 3.960 -0.000 0.000 0.678 233 G HA3 0.348 4.308 3.960 -0.000 0.000 0.678 233 G C 0.081 175.005 174.900 0.040 0.000 1.349 233 G CA -0.415 44.644 45.100 -0.068 0.000 0.847 233 G HN 1.621 nan 8.290 nan 0.000 0.548 234 A N -0.634 122.206 122.820 0.033 0.000 2.407 234 A HA 0.695 5.015 4.320 -0.000 0.000 0.248 234 A C 0.947 178.534 177.584 0.005 0.000 1.082 234 A CA 0.630 52.675 52.037 0.013 0.000 0.785 234 A CB 1.187 20.183 19.000 -0.008 0.000 1.020 234 A HN 2.203 nan 8.150 nan 0.000 0.489 235 V N 1.490 121.284 119.914 -0.199 0.000 3.134 235 V HA 0.232 4.352 4.120 -0.000 0.000 0.313 235 V C 0.597 176.547 176.094 -0.240 0.000 1.069 235 V CA -0.513 61.545 62.300 -0.404 0.000 1.048 235 V CB 1.342 32.451 31.823 -1.189 0.000 1.119 235 V HN 1.041 nan 8.190 nan 0.000 0.461 236 E N 3.615 123.693 120.200 -0.203 0.000 2.373 236 E HA 0.184 4.533 4.350 -0.000 0.000 0.263 236 E C -1.760 174.763 176.600 -0.127 0.000 1.073 236 E CA -1.172 55.160 56.400 -0.113 0.000 0.894 236 E CB 0.975 30.635 29.700 -0.067 0.000 1.008 236 E HN 0.496 nan 8.360 nan 0.000 0.420 237 P HA -0.330 nan 4.420 nan 0.000 0.217 237 P C 0.905 178.172 177.300 -0.055 0.000 1.162 237 P CA 2.088 65.154 63.100 -0.057 0.000 0.901 237 P CB 0.113 31.791 31.700 -0.036 0.000 0.793 238 A N -0.443 122.344 122.820 -0.054 0.000 1.908 238 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 238 A C 2.333 179.891 177.584 -0.044 0.000 1.181 238 A CA 2.402 54.412 52.037 -0.045 0.000 0.627 238 A CB -1.636 17.337 19.000 -0.046 0.000 0.818 238 A HN 0.230 nan 8.150 nan 0.000 0.445 239 A N -0.438 122.330 122.820 -0.085 0.000 1.898 239 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 239 A C 1.980 179.568 177.584 0.006 0.000 1.181 239 A CA 2.096 54.076 52.037 -0.095 0.000 0.620 239 A CB -0.438 18.372 19.000 -0.317 0.000 0.819 239 A HN 0.550 nan 8.150 nan 0.000 0.442 240 E N 0.162 120.345 120.200 -0.028 0.000 2.150 240 E HA -0.170 4.179 4.350 -0.000 0.000 0.193 240 E C 2.033 178.672 176.600 0.065 0.000 0.985 240 E CA 1.593 58.057 56.400 0.107 0.000 0.814 240 E CB -0.353 29.369 29.700 0.036 0.000 0.752 240 E HN 0.714 nan 8.360 nan 0.000 0.466 241 Q N -0.733 119.078 119.800 0.019 0.000 2.119 241 Q HA -0.039 4.301 4.340 -0.000 0.000 0.201 241 Q C 2.159 178.165 176.000 0.011 0.000 0.972 241 Q CA 1.323 57.130 55.803 0.007 0.000 0.847 241 Q CB -0.266 28.466 28.738 -0.009 0.000 0.903 241 Q HN 0.443 nan 8.270 nan 0.000 0.433 242 G N 0.650 109.461 108.800 0.018 0.000 2.421 242 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 242 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 242 G C 1.340 176.252 174.900 0.020 0.000 1.143 242 G CA 0.351 45.460 45.100 0.015 0.000 0.784 242 G HN 0.208 nan 8.290 nan 0.000 0.541 243 L N 0.366 121.618 121.223 0.049 0.000 2.027 243 L HA 0.051 4.390 4.340 -0.000 0.000 0.206 243 L C 2.866 179.728 176.870 -0.014 0.000 1.074 243 L CA 1.867 56.710 54.840 0.004 0.000 0.745 243 L CB -0.728 41.327 42.059 -0.005 0.000 0.898 243 L HN 0.270 nan 8.230 nan 0.000 0.433 244 Q N -0.688 119.115 119.800 0.005 0.000 2.096 244 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 244 Q C 2.211 178.205 176.000 -0.009 0.000 0.982 244 Q CA 1.759 57.559 55.803 -0.004 0.000 0.850 244 Q CB -0.378 28.363 28.738 0.004 0.000 0.901 244 Q HN 0.696 nan 8.270 nan 0.000 0.422 245 A N 0.779 123.594 122.820 -0.008 0.000 1.933 245 A HA -0.097 4.222 4.320 -0.000 0.000 0.218 245 A C 2.225 179.797 177.584 -0.020 0.000 1.175 245 A CA 1.521 53.550 52.037 -0.014 0.000 0.628 245 A CB -0.610 18.381 19.000 -0.015 0.000 0.814 245 A HN 0.406 nan 8.150 nan 0.000 0.444 246 A N -0.026 122.782 122.820 -0.020 0.000 1.897 246 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 246 A C 2.099 179.675 177.584 -0.014 0.000 1.181 246 A CA 1.314 53.337 52.037 -0.024 0.000 0.620 246 A CB -0.545 18.439 19.000 -0.025 0.000 0.821 246 A HN 0.468 nan 8.150 nan 0.000 0.443 247 I N -0.331 120.231 120.570 -0.014 0.000 2.163 247 I HA -0.296 3.873 4.170 -0.000 0.000 0.243 247 I C 2.581 178.702 176.117 0.007 0.000 1.085 247 I CA 1.996 63.294 61.300 -0.003 0.000 1.347 247 I CB -0.273 37.717 38.000 -0.016 0.000 1.044 247 I HN 0.397 nan 8.210 nan 0.000 0.408 248 K N 1.310 121.708 120.400 -0.003 0.000 2.026 248 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 248 K C 2.205 178.803 176.600 -0.004 0.000 1.048 248 K CA 1.614 57.900 56.287 -0.002 0.000 0.929 248 K CB -0.135 32.360 32.500 -0.007 0.000 0.713 248 K HN 0.294 nan 8.250 nan 0.000 0.439 249 A N 0.978 123.787 122.820 -0.020 0.000 1.902 249 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 249 A C 2.321 179.876 177.584 -0.048 0.000 1.181 249 A CA 1.858 53.867 52.037 -0.046 0.000 0.623 249 A CB -0.794 18.164 19.000 -0.071 0.000 0.818 249 A HN 0.504 nan 8.150 nan 0.000 0.443 250 A N -0.253 122.565 122.820 -0.003 0.000 1.877 250 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 250 A C 1.938 179.627 177.584 0.175 0.000 1.186 250 A CA 1.662 53.769 52.037 0.117 0.000 0.620 250 A CB -0.550 18.570 19.000 0.200 0.000 0.822 250 A HN 0.627 nan 8.150 nan 0.000 0.443 251 E N -0.870 119.386 120.200 0.093 0.000 2.038 251 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 251 E C 2.258 178.898 176.600 0.068 0.000 1.000 251 E CA 1.291 57.736 56.400 0.075 0.000 0.803 251 E CB -0.178 29.545 29.700 0.039 0.000 0.750 251 E HN 0.554 nan 8.360 nan 0.000 0.448 252 R N 0.248 120.771 120.500 0.039 0.000 2.293 252 R HA -0.072 4.268 4.340 -0.000 0.000 0.219 252 R C 1.608 177.931 176.300 0.037 0.000 1.091 252 R CA 0.900 57.016 56.100 0.026 0.000 1.004 252 R CB 0.032 30.334 30.300 0.003 0.000 0.865 252 R HN 0.101 nan 8.270 nan 0.000 0.469 253 A N -0.951 121.911 122.820 0.070 0.000 2.238 253 A HA 0.282 4.602 4.320 -0.000 0.000 0.210 253 A C 1.262 178.989 177.584 0.237 0.000 1.179 253 A CA 0.560 52.661 52.037 0.107 0.000 0.827 253 A CB 0.273 19.246 19.000 -0.045 0.000 0.856 253 A HN 0.457 nan 8.150 nan 0.000 0.488 254 G N -2.150 106.758 108.800 0.180 0.000 2.168 254 G HA2 0.181 4.141 3.960 -0.000 0.000 0.197 254 G HA3 0.181 4.141 3.960 -0.000 0.000 0.197 254 G C 0.311 175.261 174.900 0.083 0.000 0.997 254 G CA 0.082 45.254 45.100 0.120 0.000 0.658 254 G HN 1.453 nan 8.290 nan 0.000 0.513 255 A N 0.375 123.280 122.820 0.142 0.000 2.316 255 A HA 0.801 5.121 4.320 -0.000 0.000 0.284 255 A C 0.772 178.372 177.584 0.027 0.000 1.115 255 A CA 0.663 52.717 52.037 0.029 0.000 0.812 255 A CB 0.732 19.781 19.000 0.081 0.000 1.064 255 A HN 1.805 nan 8.150 nan 0.000 0.489 256 S N 1.025 116.719 115.700 -0.009 0.000 2.452 256 S HA 0.567 5.037 4.470 -0.000 0.000 0.284 256 S C -0.494 174.106 174.600 0.000 0.000 1.171 256 S CA -0.568 57.631 58.200 -0.002 0.000 1.064 256 S CB 0.709 63.902 63.200 -0.012 0.000 0.967 256 S HN 0.704 nan 8.310 nan 0.000 0.484 257 V N 4.579 124.497 119.914 0.006 0.000 2.448 257 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 257 V C -0.327 175.763 176.094 -0.008 0.000 1.025 257 V CA -0.699 61.602 62.300 0.001 0.000 0.859 257 V CB 1.176 33.004 31.823 0.008 0.000 0.988 257 V HN 1.021 nan 8.190 nan 0.000 0.431 258 Q N 3.528 123.319 119.800 -0.015 0.000 2.347 258 Q HA 0.851 5.191 4.340 -0.000 0.000 0.271 258 Q C -0.742 175.243 176.000 -0.025 0.000 1.064 258 Q CA -0.861 54.931 55.803 -0.017 0.000 0.800 258 Q CB 2.434 31.163 28.738 -0.015 0.000 1.304 258 Q HN 0.789 nan 8.270 nan 0.000 0.438 259 A N 4.369 127.175 122.820 -0.023 0.000 2.404 259 A HA 0.525 4.845 4.320 -0.000 0.000 0.273 259 A C -0.440 177.134 177.584 -0.017 0.000 1.144 259 A CA -0.293 51.728 52.037 -0.026 0.000 0.806 259 A CB -0.084 18.902 19.000 -0.022 0.000 1.080 259 A HN 0.734 nan 8.150 nan 0.000 0.509 260 I N 1.780 122.340 120.570 -0.017 0.000 2.740 260 I HA 0.301 4.471 4.170 -0.000 0.000 0.303 260 I C -0.554 175.578 176.117 0.026 0.000 1.044 260 I CA -0.864 60.434 61.300 -0.004 0.000 1.064 260 I CB 2.109 40.096 38.000 -0.022 0.000 1.249 260 I HN 0.559 nan 8.210 nan 0.000 0.433 261 D N 4.535 124.962 120.400 0.045 0.000 2.193 261 D HA 0.490 5.130 4.640 -0.000 0.000 0.249 261 D C -0.558 175.823 176.300 0.136 0.000 1.034 261 D CA -0.271 53.788 54.000 0.099 0.000 0.902 261 D CB 2.215 43.062 40.800 0.078 0.000 1.182 261 D HN 0.201 nan 8.370 nan 0.000 0.436 262 L N 2.469 123.851 121.223 0.265 0.000 2.307 262 L HA 0.318 4.658 4.340 -0.000 0.000 0.282 262 L C -2.118 174.902 176.870 0.250 0.000 1.051 262 L CA -1.778 53.230 54.840 0.278 0.000 0.804 262 L CB 1.254 43.530 42.059 0.361 0.000 1.197 262 L HN 0.044 nan 8.230 nan 0.000 0.431 263 P HA -0.082 nan 4.420 nan 0.000 0.266 263 P C 0.340 177.632 177.300 -0.013 0.000 1.193 263 P CA 0.031 63.151 63.100 0.032 0.000 0.770 263 P CB 0.638 32.356 31.700 0.030 0.000 0.836 264 E N 3.195 123.309 120.200 -0.143 0.000 2.160 264 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 264 E C 1.799 178.358 176.600 -0.068 0.000 0.991 264 E CA 2.043 58.315 56.400 -0.213 0.000 0.810 264 E CB -0.901 28.702 29.700 -0.162 0.000 0.742 264 E HN 0.435 nan 8.360 nan 0.000 0.466 265 A N -0.074 122.722 122.820 -0.038 0.000 1.940 265 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 265 A C 2.472 180.036 177.584 -0.033 0.000 1.176 265 A CA 1.684 53.703 52.037 -0.030 0.000 0.631 265 A CB -0.632 18.354 19.000 -0.023 0.000 0.814 265 A HN 0.208 nan 8.150 nan 0.000 0.446 266 V N -0.506 119.402 119.914 -0.009 0.000 2.453 266 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 266 V C 2.266 178.228 176.094 -0.220 0.000 1.048 266 V CA 1.872 64.127 62.300 -0.075 0.000 1.049 266 V CB -1.142 30.673 31.823 -0.013 0.000 0.672 266 V HN 0.682 nan 8.190 nan 0.000 0.457 267 H N -0.193 118.665 119.070 -0.353 0.000 2.352 267 H HA -0.138 4.417 4.556 -0.000 0.000 0.299 267 H C 2.458 177.614 175.328 -0.286 0.000 1.097 267 H CA 1.505 57.230 56.048 -0.539 0.000 1.311 267 H CB 0.178 29.819 29.762 -0.201 0.000 1.377 267 H HN 0.390 nan 8.280 nan 0.000 0.504 268 E N 0.761 120.954 120.200 -0.011 0.000 2.110 268 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 268 E C 2.417 178.985 176.600 -0.053 0.000 0.988 268 E CA 0.776 57.168 56.400 -0.012 0.000 0.804 268 E CB -0.205 29.480 29.700 -0.024 0.000 0.745 268 E HN 0.434 nan 8.360 nan 0.000 0.458 269 A N 0.491 123.252 122.820 -0.098 0.000 1.902 269 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 269 A C 2.061 179.576 177.584 -0.115 0.000 1.181 269 A CA 1.446 53.413 52.037 -0.116 0.000 0.623 269 A CB -1.143 17.776 19.000 -0.134 0.000 0.818 269 A HN 0.458 nan 8.150 nan 0.000 0.443 270 W N 0.723 121.790 121.300 -0.389 0.000 2.338 270 W HA -0.228 4.432 4.660 -0.001 0.000 0.304 270 W C 2.384 178.785 176.519 -0.196 0.000 1.212 270 W CA 2.211 59.327 57.345 -0.383 0.000 1.264 270 W CB -0.212 28.813 29.460 -0.725 0.000 1.142 270 W HN 0.311 nan 8.180 nan 0.000 0.512 271 R N 0.664 121.160 120.500 -0.007 0.000 2.083 271 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 271 R C 1.951 178.114 176.300 -0.229 0.000 1.137 271 R CA 2.513 58.535 56.100 -0.130 0.000 0.951 271 R CB -0.789 29.568 30.300 0.096 0.000 0.851 271 R HN 0.417 nan 8.270 nan 0.000 0.434 272 I N -1.432 119.047 120.570 -0.151 0.000 3.684 272 I HA -0.002 4.168 4.170 -0.000 0.000 0.304 272 I C 1.963 177.997 176.117 -0.138 0.000 1.278 272 I CA 0.622 61.842 61.300 -0.134 0.000 1.272 272 I CB -0.651 37.281 38.000 -0.113 0.000 1.029 272 I HN 0.146 nan 8.210 nan 0.000 0.458 273 H N 3.056 121.957 119.070 -0.281 0.000 2.319 273 H HA -0.079 4.477 4.556 -0.000 0.000 0.297 273 H C -0.714 174.498 175.328 -0.192 0.000 1.097 273 H CA 2.542 58.438 56.048 -0.252 0.000 1.285 273 H CB -1.255 28.306 29.762 -0.335 0.000 1.368 273 H HN 0.218 nan 8.280 nan 0.000 0.495 274 P HA -0.144 nan 4.420 nan 0.000 0.218 274 P C 1.920 179.194 177.300 -0.043 0.000 1.148 274 P CA 1.088 64.182 63.100 -0.011 0.000 0.822 274 P CB -0.026 31.635 31.700 -0.065 0.000 0.784 275 I N -1.065 119.469 120.570 -0.060 0.000 2.142 275 I HA -0.191 3.979 4.170 -0.000 0.000 0.240 275 I C 2.354 178.492 176.117 0.035 0.000 1.078 275 I CA 1.549 62.842 61.300 -0.012 0.000 1.343 275 I CB -1.372 36.606 38.000 -0.037 0.000 1.046 275 I HN -0.027 nan 8.210 nan 0.000 0.405 276 I N 0.321 120.867 120.570 -0.041 0.000 2.142 276 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 276 I C 2.749 178.822 176.117 -0.074 0.000 1.078 276 I CA 1.380 62.682 61.300 0.003 0.000 1.343 276 I CB -0.496 37.401 38.000 -0.171 0.000 1.046 276 I HN 0.354 nan 8.210 nan 0.000 0.405 277 Q N 1.092 120.773 119.800 -0.199 0.000 2.002 277 Q HA -0.268 4.071 4.340 -0.000 0.000 0.204 277 Q C 1.744 177.723 176.000 -0.035 0.000 0.988 277 Q CA 2.294 58.019 55.803 -0.129 0.000 0.843 277 Q CB 0.001 28.665 28.738 -0.124 0.000 0.908 277 Q HN 0.446 nan 8.270 nan 0.000 0.420 278 D N -0.295 120.106 120.400 0.001 0.000 2.178 278 D HA -0.125 4.514 4.640 -0.000 0.000 0.202 278 D C 1.567 177.838 176.300 -0.048 0.000 0.974 278 D CA 0.674 54.663 54.000 -0.018 0.000 0.841 278 D CB -0.339 40.481 40.800 0.034 0.000 0.953 278 D HN 0.272 nan 8.370 nan 0.000 0.478 279 F N 1.988 121.842 119.950 -0.160 0.000 2.113 279 F HA -0.103 4.425 4.527 0.001 0.000 0.297 279 F C 2.096 177.686 175.800 -0.351 0.000 1.103 279 F CA 1.343 59.200 58.000 -0.237 0.000 1.248 279 F CB 0.053 38.853 39.000 -0.333 0.000 0.999 279 F HN -0.139 nan 8.300 nan 0.000 0.475 280 E N 0.295 120.267 120.200 -0.379 0.000 2.106 280 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 280 E C 2.377 178.701 176.600 -0.461 0.000 0.984 280 E CA 0.847 56.866 56.400 -0.635 0.000 0.806 280 E CB -0.441 28.671 29.700 -0.981 0.000 0.750 280 E HN 0.499 nan 8.360 nan 0.000 0.458 281 A N 1.707 124.240 122.820 -0.478 0.000 1.940 281 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 281 A C 1.908 179.157 177.584 -0.559 0.000 1.176 281 A CA 1.459 53.088 52.037 -0.681 0.000 0.631 281 A CB -0.743 17.681 19.000 -0.960 0.000 0.814 281 A HN 0.277 nan 8.150 nan 0.000 0.446 282 H N -0.650 118.120 119.070 -0.499 0.000 2.421 282 H HA -0.040 4.516 4.556 -0.000 0.000 0.298 282 H C 2.161 177.268 175.328 -0.368 0.000 1.087 282 H CA 1.578 57.327 56.048 -0.499 0.000 1.330 282 H CB 0.129 29.547 29.762 -0.573 0.000 1.388 282 H HN 0.324 nan 8.280 nan 0.000 0.526 283 R N 0.256 120.626 120.500 -0.216 0.000 2.080 283 R HA 0.122 4.461 4.340 -0.000 0.000 0.222 283 R C 2.376 178.693 176.300 0.029 0.000 1.107 283 R CA 0.877 56.937 56.100 -0.066 0.000 0.980 283 R CB -0.934 29.401 30.300 0.059 0.000 0.879 283 R HN 0.220 nan 8.270 nan 0.000 0.439 284 A N 0.870 123.730 122.820 0.067 0.000 2.015 284 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 284 A C 1.672 179.242 177.584 -0.023 0.000 1.163 284 A CA 0.966 53.052 52.037 0.082 0.000 0.646 284 A CB -0.224 18.846 19.000 0.116 0.000 0.806 284 A HN 0.199 nan 8.150 nan 0.000 0.448 285 L N -1.106 120.041 121.223 -0.127 0.000 3.017 285 L HA 0.277 4.617 4.340 -0.000 0.000 0.255 285 L C 2.073 178.931 176.870 -0.019 0.000 1.247 285 L CA 0.176 54.932 54.840 -0.140 0.000 1.038 285 L CB 0.154 42.005 42.059 -0.346 0.000 1.380 285 L HN 0.333 nan 8.230 nan 0.000 0.548 286 A N 0.524 123.369 122.820 0.041 0.000 1.892 286 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 286 A C 1.918 179.610 177.584 0.180 0.000 1.188 286 A CA 1.891 53.993 52.037 0.110 0.000 0.631 286 A CB -0.737 18.314 19.000 0.085 0.000 0.822 286 A HN 0.710 nan 8.150 nan 0.000 0.447 287 W N 0.951 122.268 121.300 0.029 0.000 2.335 287 W HA -0.201 4.458 4.660 -0.001 0.000 0.311 287 W C 1.903 178.471 176.519 0.082 0.000 1.213 287 W CA 2.242 59.614 57.345 0.045 0.000 1.274 287 W CB -0.279 29.202 29.460 0.034 0.000 1.148 287 W HN 0.426 nan 8.180 nan 0.000 0.498 288 E N -0.508 119.751 120.200 0.099 0.000 2.058 288 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 288 E C 1.974 178.503 176.600 -0.118 0.000 0.997 288 E CA 1.948 58.280 56.400 -0.114 0.000 0.801 288 E CB -1.094 28.538 29.700 -0.113 0.000 0.746 288 E HN 0.331 nan 8.360 nan 0.000 0.450 289 F N 0.666 120.520 119.950 -0.161 0.000 2.186 289 F HA -0.156 4.371 4.527 0.000 0.000 0.299 289 F C 2.077 177.850 175.800 -0.045 0.000 1.090 289 F CA 1.225 59.175 58.000 -0.084 0.000 1.307 289 F CB 0.009 38.983 39.000 -0.043 0.000 1.019 289 F HN -0.101 nan 8.300 nan 0.000 0.489 290 S N -0.508 115.152 115.700 -0.067 0.000 2.388 290 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 290 S C 1.655 176.059 174.600 -0.326 0.000 1.034 290 S CA 0.977 59.078 58.200 -0.166 0.000 0.963 290 S CB -0.097 63.068 63.200 -0.058 0.000 0.827 290 S HN 0.388 nan 8.310 nan 0.000 0.481 291 E N 0.307 120.197 120.200 -0.517 0.000 2.431 291 E HA 0.114 4.464 4.350 -0.000 0.000 0.200 291 E C 0.011 175.946 176.600 -1.109 0.000 0.995 291 E CA 0.521 56.439 56.400 -0.803 0.000 0.915 291 E CB 0.197 29.247 29.700 -1.084 0.000 0.930 291 E HN 0.543 nan 8.360 nan 0.000 0.496 292 H N -0.410 118.388 119.070 -0.454 0.000 2.924 292 H HA 0.095 4.651 4.556 -0.001 0.000 0.229 292 H C 1.169 176.375 175.328 -0.203 0.000 1.345 292 H CA -0.206 55.655 56.048 -0.312 0.000 1.044 292 H CB 0.128 29.663 29.762 -0.378 0.000 2.221 292 H HN 0.187 nan 8.280 nan 0.000 0.574 293 H N 1.856 120.763 119.070 -0.272 0.000 2.265 293 H HA -0.136 4.420 4.556 -0.001 0.000 0.293 293 H C 0.553 175.794 175.328 -0.146 0.000 1.089 293 H CA 1.951 57.821 56.048 -0.298 0.000 1.244 293 H CB 0.400 29.876 29.762 -0.476 0.000 1.355 293 H HN 0.322 nan 8.280 nan 0.000 0.485 294 D N 0.380 120.815 120.400 0.059 0.000 2.310 294 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 294 D C 1.809 178.113 176.300 0.006 0.000 0.965 294 D CA 0.642 54.670 54.000 0.046 0.000 0.879 294 D CB -0.217 40.619 40.800 0.060 0.000 0.921 294 D HN 0.628 nan 8.370 nan 0.000 0.510 295 E N -0.123 120.087 120.200 0.017 0.000 2.442 295 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 295 E C 0.572 177.220 176.600 0.079 0.000 1.030 295 E CA -0.108 56.324 56.400 0.053 0.000 0.869 295 E CB 0.570 30.320 29.700 0.082 0.000 0.857 295 E HN 0.277 nan 8.360 nan 0.000 0.505 296 I N 1.936 122.530 120.570 0.040 0.000 2.588 296 I HA 0.046 4.215 4.170 -0.000 0.000 0.283 296 I C 0.610 176.776 176.117 0.082 0.000 1.119 296 I CA -0.692 60.671 61.300 0.105 0.000 1.419 296 I CB 0.735 38.733 38.000 -0.004 0.000 1.394 296 I HN 0.003 nan 8.210 nan 0.000 0.562 297 A N 8.327 131.233 122.820 0.142 0.000 2.587 297 A HA 0.072 4.392 4.320 -0.000 0.000 0.233 297 A C -1.450 176.172 177.584 0.063 0.000 1.049 297 A CA -0.687 51.406 52.037 0.093 0.000 0.754 297 A CB -0.419 18.644 19.000 0.104 0.000 0.977 297 A HN 0.603 nan 8.150 nan 0.000 0.509 298 P HA -0.267 nan 4.420 nan 0.000 0.218 298 P C 1.637 178.962 177.300 0.042 0.000 1.165 298 P CA 2.185 65.306 63.100 0.034 0.000 0.922 298 P CB -0.104 31.616 31.700 0.033 0.000 0.794 299 M N -2.272 117.358 119.600 0.050 0.000 2.086 299 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 299 M C 2.135 178.473 176.300 0.063 0.000 1.067 299 M CA 1.560 56.892 55.300 0.053 0.000 1.116 299 M CB -0.975 31.655 32.600 0.051 0.000 1.348 299 M HN -0.045 nan 8.290 nan 0.000 0.407 300 L N 0.379 121.650 121.223 0.082 0.000 2.093 300 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 300 L C 2.470 179.374 176.870 0.058 0.000 1.085 300 L CA 1.797 56.696 54.840 0.098 0.000 0.755 300 L CB -0.715 41.443 42.059 0.164 0.000 0.904 300 L HN 0.179 nan 8.230 nan 0.000 0.435 301 R N -0.541 119.980 120.500 0.034 0.000 2.091 301 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 301 R C 2.122 178.455 176.300 0.055 0.000 1.136 301 R CA 1.495 57.582 56.100 -0.021 0.000 0.959 301 R CB -0.359 29.878 30.300 -0.104 0.000 0.856 301 R HN 0.528 nan 8.270 nan 0.000 0.437 302 A N 0.431 123.287 122.820 0.061 0.000 1.873 302 A HA -0.169 4.150 4.320 -0.000 0.000 0.215 302 A C 2.185 179.819 177.584 0.083 0.000 1.186 302 A CA 1.907 53.993 52.037 0.082 0.000 0.616 302 A CB -0.671 18.367 19.000 0.063 0.000 0.823 302 A HN 0.603 nan 8.150 nan 0.000 0.442 303 S N 0.132 115.870 115.700 0.063 0.000 2.382 303 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 303 S C 1.894 176.512 174.600 0.030 0.000 1.027 303 S CA 1.487 59.718 58.200 0.051 0.000 0.991 303 S CB -0.729 62.504 63.200 0.055 0.000 0.823 303 S HN 0.437 nan 8.310 nan 0.000 0.469 304 L N 1.366 122.582 121.223 -0.013 0.000 2.027 304 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 304 L C 2.473 179.417 176.870 0.123 0.000 1.074 304 L CA 1.538 56.277 54.840 -0.169 0.000 0.745 304 L CB -0.737 41.145 42.059 -0.295 0.000 0.898 304 L HN 0.223 nan 8.230 nan 0.000 0.433 305 D N 0.343 120.908 120.400 0.275 0.000 2.182 305 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 305 D C 2.015 178.431 176.300 0.192 0.000 0.986 305 D CA 1.444 55.651 54.000 0.346 0.000 0.847 305 D CB 0.057 41.048 40.800 0.319 0.000 0.942 305 D HN 0.311 nan 8.370 nan 0.000 0.467 306 A N -0.204 122.697 122.820 0.135 0.000 2.208 306 A HA 0.041 4.361 4.320 -0.000 0.000 0.209 306 A C 1.688 179.317 177.584 0.074 0.000 1.161 306 A CA 1.263 53.353 52.037 0.089 0.000 0.782 306 A CB -0.125 18.917 19.000 0.069 0.000 0.816 306 A HN 0.275 nan 8.150 nan 0.000 0.477 307 T N -4.576 110.043 114.554 0.109 0.000 3.091 307 T HA 0.205 4.555 4.350 -0.000 0.000 0.277 307 T C 1.175 175.838 174.700 -0.062 0.000 0.996 307 T CA 0.575 62.727 62.100 0.086 0.000 0.897 307 T CB 0.045 68.991 68.868 0.130 0.000 1.109 307 T HN -0.066 nan 8.240 nan 0.000 0.534 308 V N 1.938 121.745 119.914 -0.178 0.000 2.453 308 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 308 V C 2.754 178.649 176.094 -0.332 0.000 1.068 308 V CA 2.307 64.272 62.300 -0.559 0.000 1.070 308 V CB -1.019 30.662 31.823 -0.236 0.000 0.664 308 V HN 0.720 nan 8.190 nan 0.000 0.461 309 G N -0.897 107.820 108.800 -0.139 0.000 2.920 309 G HA2 0.072 4.032 3.960 -0.000 0.000 0.208 309 G HA3 0.072 4.032 3.960 -0.000 0.000 0.208 309 G C 0.610 175.499 174.900 -0.018 0.000 1.159 309 G CA -0.339 44.721 45.100 -0.067 0.000 0.784 309 G HN 0.434 nan 8.290 nan 0.000 0.535 310 L N 2.232 123.459 121.223 0.005 0.000 2.540 310 L HA 0.160 4.499 4.340 -0.000 0.000 0.276 310 L C 1.230 178.217 176.870 0.194 0.000 1.212 310 L CA -0.026 54.882 54.840 0.112 0.000 0.893 310 L CB 0.474 42.660 42.059 0.212 0.000 1.138 310 L HN 0.172 nan 8.230 nan 0.000 0.491 311 T N -0.119 114.489 114.554 0.091 0.000 2.943 311 T HA 0.362 4.712 4.350 -0.000 0.000 0.284 311 T C -1.973 172.646 174.700 -0.135 0.000 1.015 311 T CA -2.027 60.111 62.100 0.064 0.000 1.042 311 T CB 1.892 70.767 68.868 0.011 0.000 1.055 311 T HN 0.279 nan 8.240 nan 0.000 0.500 312 P HA -0.029 nan 4.420 nan 0.000 0.218 312 P C 1.485 178.705 177.300 -0.133 0.000 1.149 312 P CA 0.892 63.879 63.100 -0.187 0.000 0.817 312 P CB 0.130 31.871 31.700 0.067 0.000 0.785 313 K N 0.777 121.129 120.400 -0.080 0.000 2.002 313 K HA -0.203 4.116 4.320 -0.000 0.000 0.209 313 K C 2.111 178.650 176.600 -0.102 0.000 1.048 313 K CA 1.883 58.128 56.287 -0.071 0.000 0.930 313 K CB -0.298 32.177 32.500 -0.042 0.000 0.714 313 K HN 0.170 nan 8.250 nan 0.000 0.438 314 E N -0.595 119.544 120.200 -0.102 0.000 2.204 314 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 314 E C 2.037 178.553 176.600 -0.141 0.000 0.989 314 E CA 0.925 57.265 56.400 -0.101 0.000 0.824 314 E CB -0.581 29.079 29.700 -0.068 0.000 0.756 314 E HN 0.450 nan 8.360 nan 0.000 0.477 315 Y N 2.871 122.932 120.300 -0.400 0.000 2.114 315 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 315 Y C 1.763 177.468 175.900 -0.324 0.000 1.143 315 Y CA 2.124 59.913 58.100 -0.518 0.000 1.135 315 Y CB -0.374 37.382 38.460 -1.173 0.000 0.980 315 Y HN -0.063 nan 8.280 nan 0.000 0.499 316 D N -0.006 120.151 120.400 -0.406 0.000 2.123 316 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 316 D C 2.025 178.151 176.300 -0.289 0.000 0.992 316 D CA 1.738 55.507 54.000 -0.385 0.000 0.833 316 D CB -0.301 40.387 40.800 -0.186 0.000 0.954 316 D HN 0.445 nan 8.370 nan 0.000 0.455 317 E N 0.974 121.049 120.200 -0.208 0.000 2.110 317 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 317 E C 1.856 178.353 176.600 -0.172 0.000 0.988 317 E CA 1.290 57.596 56.400 -0.155 0.000 0.804 317 E CB -0.276 29.357 29.700 -0.112 0.000 0.745 317 E HN 0.174 nan 8.360 nan 0.000 0.458 318 A N 0.688 123.383 122.820 -0.208 0.000 1.898 318 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 318 A C 2.205 179.648 177.584 -0.235 0.000 1.181 318 A CA 1.435 53.355 52.037 -0.196 0.000 0.620 318 A CB -0.400 18.492 19.000 -0.180 0.000 0.819 318 A HN 0.182 nan 8.150 nan 0.000 0.442 319 R N -0.906 119.390 120.500 -0.340 0.000 2.096 319 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 319 R C 2.498 178.671 176.300 -0.212 0.000 1.127 319 R CA 1.484 57.392 56.100 -0.321 0.000 0.968 319 R CB -0.325 29.706 30.300 -0.448 0.000 0.861 319 R HN 0.568 nan 8.270 nan 0.000 0.440 320 R N 1.085 121.472 120.500 -0.189 0.000 2.081 320 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 320 R C 2.200 178.433 176.300 -0.112 0.000 1.131 320 R CA 1.331 57.352 56.100 -0.131 0.000 0.960 320 R CB -0.196 30.035 30.300 -0.114 0.000 0.856 320 R HN 0.175 nan 8.270 nan 0.000 0.436 321 I N 0.048 120.548 120.570 -0.118 0.000 2.226 321 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 321 I C 2.421 178.477 176.117 -0.102 0.000 1.100 321 I CA 1.444 62.685 61.300 -0.098 0.000 1.374 321 I CB -0.539 37.403 38.000 -0.097 0.000 1.057 321 I HN 0.414 nan 8.210 nan 0.000 0.413 322 G N 0.563 109.287 108.800 -0.127 0.000 2.422 322 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 322 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 322 G C 1.806 176.640 174.900 -0.110 0.000 1.146 322 G CA 0.313 45.336 45.100 -0.128 0.000 0.769 322 G HN 0.287 nan 8.290 nan 0.000 0.547 323 R N -0.240 120.195 120.500 -0.108 0.000 2.092 323 R HA 0.007 4.347 4.340 -0.000 0.000 0.231 323 R C 2.613 178.875 176.300 -0.063 0.000 1.119 323 R CA 1.138 57.186 56.100 -0.087 0.000 0.970 323 R CB -0.231 30.020 30.300 -0.082 0.000 0.864 323 R HN 0.296 nan 8.270 nan 0.000 0.440 324 R N 0.384 120.848 120.500 -0.060 0.000 2.092 324 R HA -0.073 4.266 4.340 -0.000 0.000 0.231 324 R C 2.216 178.496 176.300 -0.032 0.000 1.119 324 R CA 1.480 57.555 56.100 -0.042 0.000 0.970 324 R CB -0.374 29.899 30.300 -0.044 0.000 0.864 324 R HN 0.270 nan 8.270 nan 0.000 0.440 325 G N 0.436 109.209 108.800 -0.045 0.000 2.418 325 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 325 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 325 G C 1.312 176.210 174.900 -0.004 0.000 1.158 325 G CA 0.463 45.542 45.100 -0.034 0.000 0.771 325 G HN 0.279 nan 8.290 nan 0.000 0.545 326 R N -0.046 120.442 120.500 -0.020 0.000 2.083 326 R HA -0.002 4.338 4.340 -0.000 0.000 0.237 326 R C 2.782 179.102 176.300 0.033 0.000 1.137 326 R CA 1.074 57.175 56.100 0.001 0.000 0.951 326 R CB -0.338 29.924 30.300 -0.064 0.000 0.851 326 R HN 0.259 nan 8.270 nan 0.000 0.434 327 R N 0.904 121.410 120.500 0.011 0.000 2.082 327 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 327 R C 2.166 178.498 176.300 0.054 0.000 1.136 327 R CA 1.724 57.840 56.100 0.027 0.000 0.935 327 R CB -0.247 30.057 30.300 0.007 0.000 0.842 327 R HN 0.378 nan 8.270 nan 0.000 0.430 328 E N 0.422 120.648 120.200 0.043 0.000 2.204 328 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 328 E C 1.898 178.549 176.600 0.085 0.000 0.989 328 E CA 0.552 56.983 56.400 0.051 0.000 0.824 328 E CB -0.038 29.679 29.700 0.028 0.000 0.756 328 E HN 0.099 nan 8.360 nan 0.000 0.477 329 L N 0.598 121.893 121.223 0.120 0.000 2.056 329 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 329 L C 2.189 179.233 176.870 0.290 0.000 1.078 329 L CA 2.120 57.078 54.840 0.196 0.000 0.749 329 L CB -0.920 41.303 42.059 0.273 0.000 0.901 329 L HN 0.069 nan 8.230 nan 0.000 0.433 330 G N -0.994 107.980 108.800 0.289 0.000 2.469 330 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.220 330 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.220 330 G C 1.419 176.481 174.900 0.271 0.000 1.136 330 G CA 0.948 46.250 45.100 0.336 0.000 0.759 330 G HN 0.569 nan 8.290 nan 0.000 0.562 331 E N -0.086 120.208 120.200 0.157 0.000 2.085 331 E HA -0.107 4.242 4.350 -0.000 0.000 0.194 331 E C 2.695 179.338 176.600 0.072 0.000 0.994 331 E CA 1.025 57.484 56.400 0.099 0.000 0.801 331 E CB -0.179 29.558 29.700 0.061 0.000 0.743 331 E HN 0.325 nan 8.360 nan 0.000 0.453 332 V N 0.667 120.597 119.914 0.026 0.000 2.469 332 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 332 V C 1.641 177.629 176.094 -0.177 0.000 1.064 332 V CA 1.582 63.813 62.300 -0.115 0.000 1.066 332 V CB -0.533 31.149 31.823 -0.235 0.000 0.667 332 V HN 0.232 nan 8.190 nan 0.000 0.461 333 F N 0.070 120.062 119.950 0.071 0.000 2.804 333 F HA 0.070 4.596 4.527 -0.001 0.000 0.303 333 F C 2.054 177.875 175.800 0.035 0.000 1.154 333 F CA 0.396 58.432 58.000 0.059 0.000 1.401 333 F CB -0.287 38.758 39.000 0.075 0.000 1.106 333 F HN 0.252 nan 8.300 nan 0.000 0.568 334 E N -0.461 119.826 120.200 0.146 0.000 2.318 334 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 334 E C 2.251 178.884 176.600 0.055 0.000 0.998 334 E CA 0.692 57.147 56.400 0.093 0.000 0.859 334 E CB 0.017 29.757 29.700 0.068 0.000 0.812 334 E HN 0.440 nan 8.360 nan 0.000 0.492 335 G N 0.635 109.458 108.800 0.038 0.000 3.062 335 G HA2 0.213 4.173 3.960 -0.000 0.000 0.228 335 G HA3 0.213 4.173 3.960 -0.000 0.000 0.228 335 G C 0.243 175.152 174.900 0.016 0.000 1.094 335 G CA -0.055 45.055 45.100 0.017 0.000 0.782 335 G HN -0.040 nan 8.290 nan 0.000 0.541 336 V N 0.521 120.455 119.914 0.034 0.000 2.925 336 V HA 0.316 4.436 4.120 -0.000 0.000 0.311 336 V C -0.108 176.084 176.094 0.164 0.000 1.104 336 V CA -0.726 61.603 62.300 0.048 0.000 0.954 336 V CB 2.269 34.078 31.823 -0.023 0.000 1.022 336 V HN 0.044 nan 8.190 nan 0.000 0.427 337 D N 1.202 121.709 120.400 0.177 0.000 2.162 337 D HA 0.039 4.678 4.640 -0.000 0.000 0.205 337 D C 0.475 177.061 176.300 0.475 0.000 0.964 337 D CA 1.580 55.761 54.000 0.300 0.000 0.847 337 D CB 0.747 41.748 40.800 0.335 0.000 0.988 337 D HN 0.504 nan 8.370 nan 0.000 0.480 338 V N -2.089 118.016 119.914 0.319 0.000 3.159 338 V HA 0.532 4.652 4.120 -0.000 0.000 0.308 338 V C -0.935 175.238 176.094 0.131 0.000 1.190 338 V CA -1.150 61.314 62.300 0.275 0.000 1.037 338 V CB 2.425 34.285 31.823 0.062 0.000 1.060 338 V HN -0.133 nan 8.190 nan 0.000 0.437 339 L N 2.330 123.604 121.223 0.085 0.000 2.331 339 L HA 0.703 5.043 4.340 -0.000 0.000 0.275 339 L C -0.928 175.871 176.870 -0.117 0.000 1.022 339 L CA -0.755 54.039 54.840 -0.077 0.000 0.812 339 L CB 1.793 43.748 42.059 -0.173 0.000 1.257 339 L HN 0.642 nan 8.230 nan 0.000 0.435 340 L N 1.725 122.871 121.223 -0.128 0.000 2.349 340 L HA 0.709 5.049 4.340 -0.000 0.000 0.278 340 L C -0.369 176.382 176.870 -0.198 0.000 0.996 340 L CA 0.454 55.211 54.840 -0.139 0.000 0.825 340 L CB 1.824 43.828 42.059 -0.091 0.000 1.243 340 L HN 0.676 nan 8.230 nan 0.000 0.412 341 T N 2.448 116.868 114.554 -0.224 0.000 2.618 341 T HA 0.523 4.872 4.350 -0.000 0.000 0.293 341 T C -1.047 173.503 174.700 -0.251 0.000 1.093 341 T CA -0.381 61.539 62.100 -0.299 0.000 1.061 341 T CB 0.401 69.183 68.868 -0.143 0.000 1.498 341 T HN 0.314 nan 8.240 nan 0.000 0.494 342 Y N 0.752 121.012 120.300 -0.067 0.000 2.326 342 Y HA 0.340 4.890 4.550 -0.001 0.000 0.333 342 Y C 1.839 177.723 175.900 -0.027 0.000 1.240 342 Y CA -0.274 57.757 58.100 -0.115 0.000 1.365 342 Y CB 0.902 39.165 38.460 -0.328 0.000 1.289 342 Y HN 0.485 nan 8.280 nan 0.000 0.548 343 S N 0.527 116.311 115.700 0.140 0.000 2.497 343 S HA 0.443 4.913 4.470 -0.000 0.000 0.218 343 S C 0.191 174.844 174.600 0.088 0.000 1.023 343 S CA 0.347 58.602 58.200 0.091 0.000 0.913 343 S CB 0.295 63.517 63.200 0.036 0.000 0.800 343 S HN 0.719 nan 8.310 nan 0.000 0.505 344 A N 0.779 123.649 122.820 0.083 0.000 2.599 344 A HA 0.651 4.971 4.320 -0.000 0.000 0.290 344 A C -2.707 174.902 177.584 0.042 0.000 1.101 344 A CA -1.059 51.038 52.037 0.099 0.000 0.674 344 A CB 0.040 19.062 19.000 0.037 0.000 1.277 344 A HN -0.074 nan 8.150 nan 0.000 0.419 345 P HA 0.175 nan 4.420 nan 0.000 0.225 345 P C 0.789 178.054 177.300 -0.058 0.000 1.148 345 P CA 1.886 65.013 63.100 0.045 0.000 0.779 345 P CB 0.255 32.102 31.700 0.246 0.000 0.780 346 G N -2.275 106.558 108.800 0.055 0.000 2.399 346 G HA2 0.219 4.179 3.960 -0.000 0.000 0.256 346 G HA3 0.219 4.179 3.960 -0.000 0.000 0.256 346 G C -0.937 174.014 174.900 0.086 0.000 1.236 346 G CA -0.131 44.979 45.100 0.018 0.000 0.914 346 G HN 0.018 nan 8.290 nan 0.000 0.482 347 T N -0.480 114.062 114.554 -0.020 0.000 2.802 347 T HA 0.580 4.930 4.350 -0.000 0.000 0.305 347 T C 0.936 175.439 174.700 -0.329 0.000 1.053 347 T CA 0.697 62.730 62.100 -0.112 0.000 1.058 347 T CB 1.009 69.787 68.868 -0.149 0.000 0.988 347 T HN 2.028 nan 8.240 nan 0.000 0.539 348 A N 2.886 125.332 122.820 -0.622 0.000 2.546 348 A HA 0.430 4.750 4.320 -0.000 0.000 0.243 348 A C -2.101 175.305 177.584 -0.297 0.000 1.063 348 A CA -1.095 50.334 52.037 -1.014 0.000 0.757 348 A CB -0.977 17.624 19.000 -0.666 0.000 0.991 348 A HN 0.699 nan 8.150 nan 0.000 0.503 349 P HA 0.278 nan 4.420 nan 0.000 0.269 349 P C -0.054 177.237 177.300 -0.015 0.000 1.215 349 P CA 0.177 63.256 63.100 -0.036 0.000 0.780 349 P CB 0.640 32.325 31.700 -0.026 0.000 0.898 350 A N 2.899 125.634 122.820 -0.142 0.000 2.462 350 A HA 0.038 4.358 4.320 -0.000 0.000 0.243 350 A C 1.465 178.919 177.584 -0.216 0.000 1.076 350 A CA 0.071 51.837 52.037 -0.451 0.000 0.773 350 A CB 0.032 18.817 19.000 -0.358 0.000 1.010 350 A HN 0.445 nan 8.150 nan 0.000 0.493 351 K N 1.989 122.266 120.400 -0.205 0.000 2.113 351 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 351 K C 2.141 178.701 176.600 -0.066 0.000 1.047 351 K CA 1.627 57.861 56.287 -0.088 0.000 0.928 351 K CB -0.730 31.733 32.500 -0.062 0.000 0.716 351 K HN 0.836 nan 8.250 nan 0.000 0.446 352 A N 1.283 124.051 122.820 -0.087 0.000 2.084 352 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 352 A C 2.102 179.663 177.584 -0.037 0.000 1.161 352 A CA 1.142 53.145 52.037 -0.056 0.000 0.653 352 A CB -0.573 18.390 19.000 -0.062 0.000 0.802 352 A HN 0.228 nan 8.150 nan 0.000 0.457 353 L N -1.569 119.629 121.223 -0.041 0.000 2.552 353 L HA 0.102 4.442 4.340 -0.000 0.000 0.227 353 L C 1.564 178.434 176.870 -0.001 0.000 1.146 353 L CA 0.326 55.155 54.840 -0.017 0.000 0.858 353 L CB -0.556 41.494 42.059 -0.015 0.000 0.969 353 L HN 0.544 nan 8.230 nan 0.000 0.451 354 A N 0.540 123.359 122.820 -0.003 0.000 2.687 354 A HA -0.205 4.115 4.320 -0.000 0.000 0.299 354 A C 0.527 178.125 177.584 0.024 0.000 1.497 354 A CA 0.976 53.019 52.037 0.011 0.000 0.751 354 A CB -1.702 17.305 19.000 0.011 0.000 1.048 354 A HN 0.408 nan 8.150 nan 0.000 0.464 355 S N -1.240 114.479 115.700 0.032 0.000 2.548 355 S HA 0.662 5.132 4.470 -0.000 0.000 0.276 355 S C 0.837 175.486 174.600 0.083 0.000 1.129 355 S CA 0.619 58.852 58.200 0.054 0.000 0.931 355 S CB 1.479 64.712 63.200 0.056 0.000 1.068 355 S HN 1.513 nan 8.310 nan 0.000 0.480 356 T N 0.776 115.393 114.554 0.104 0.000 3.129 356 T HA 0.543 4.893 4.350 -0.000 0.000 0.251 356 T C 1.044 175.905 174.700 0.268 0.000 1.117 356 T CA 0.417 62.613 62.100 0.160 0.000 1.034 356 T CB -0.684 68.250 68.868 0.110 0.000 0.968 356 T HN 1.808 nan 8.240 nan 0.000 0.526 357 G N 0.850 109.787 108.800 0.227 0.000 2.650 357 G HA2 0.032 3.991 3.960 -0.000 0.000 0.686 357 G HA3 0.032 3.991 3.960 -0.000 0.000 0.686 357 G C -1.389 173.613 174.900 0.169 0.000 1.205 357 G CA -0.677 44.596 45.100 0.287 0.000 0.781 357 G HN 0.378 nan 8.290 nan 0.000 0.648 358 D N 1.226 121.727 120.400 0.167 0.000 2.317 358 D HA 0.501 5.141 4.640 -0.000 0.000 0.252 358 D C -1.089 175.272 176.300 0.102 0.000 1.174 358 D CA -1.985 52.082 54.000 0.111 0.000 0.866 358 D CB 1.547 42.415 40.800 0.113 0.000 1.127 358 D HN 0.055 nan 8.370 nan 0.000 0.467 359 P HA 0.050 nan 4.420 nan 0.000 0.253 359 P C 1.001 178.320 177.300 0.031 0.000 1.260 359 P CA 0.142 63.259 63.100 0.029 0.000 0.800 359 P CB 0.028 31.709 31.700 -0.031 0.000 1.162 360 R N -0.617 119.894 120.500 0.019 0.000 2.170 360 R HA -0.181 4.158 4.340 -0.000 0.000 0.242 360 R C 0.779 177.116 176.300 0.060 0.000 1.145 360 R CA 1.652 57.786 56.100 0.056 0.000 0.984 360 R CB -1.474 28.801 30.300 -0.041 0.000 0.869 360 R HN 0.234 nan 8.270 nan 0.000 0.455 361 Y N 0.361 120.812 120.300 0.252 0.000 2.468 361 Y HA 0.257 4.807 4.550 -0.000 0.000 0.268 361 Y C 1.296 177.411 175.900 0.358 0.000 1.177 361 Y CA -0.233 58.035 58.100 0.279 0.000 1.265 361 Y CB 0.307 38.904 38.460 0.230 0.000 1.103 361 Y HN 0.184 nan 8.280 nan 0.000 0.522 362 N N -0.147 118.765 118.700 0.353 0.000 2.557 362 N HA -0.013 4.727 4.740 -0.000 0.000 0.217 362 N C 1.963 177.600 175.510 0.212 0.000 1.062 362 N CA 0.299 53.557 53.050 0.347 0.000 0.863 362 N CB -0.166 38.438 38.487 0.194 0.000 1.390 362 N HN 0.351 nan 8.380 nan 0.000 0.445 363 R N 1.738 122.224 120.500 -0.022 0.000 2.119 363 R HA -0.128 4.212 4.340 -0.000 0.000 0.246 363 R C 2.079 178.246 176.300 -0.221 0.000 1.146 363 R CA 1.371 57.262 56.100 -0.348 0.000 0.962 363 R CB -0.925 28.805 30.300 -0.950 0.000 0.863 363 R HN 0.108 nan 8.270 nan 0.000 0.442 364 L N 0.794 121.902 121.223 -0.192 0.000 1.990 364 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 364 L C 2.068 178.764 176.870 -0.290 0.000 1.072 364 L CA 1.904 56.552 54.840 -0.321 0.000 0.755 364 L CB -0.697 40.998 42.059 -0.607 0.000 0.889 364 L HN 0.345 nan 8.230 nan 0.000 0.432 365 W N -0.645 120.752 121.300 0.160 0.000 2.392 365 W HA -0.137 4.523 4.660 -0.000 0.000 0.279 365 W C 2.365 178.957 176.519 0.122 0.000 1.225 365 W CA 1.032 58.466 57.345 0.148 0.000 1.233 365 W CB -1.146 28.407 29.460 0.155 0.000 1.122 365 W HN 0.091 nan 8.180 nan 0.000 0.561 366 T N 1.034 115.743 114.554 0.258 0.000 2.857 366 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 366 T C 1.734 176.473 174.700 0.065 0.000 1.048 366 T CA 1.208 63.422 62.100 0.189 0.000 1.139 366 T CB -0.446 68.534 68.868 0.188 0.000 0.874 366 T HN 0.006 nan 8.240 nan 0.000 0.455 367 L N 0.640 121.893 121.223 0.051 0.000 2.131 367 L HA 0.147 4.487 4.340 -0.000 0.000 0.206 367 L C 2.059 178.865 176.870 -0.107 0.000 1.087 367 L CA 1.529 56.321 54.840 -0.081 0.000 0.767 367 L CB -0.624 41.415 42.059 -0.033 0.000 0.917 367 L HN 0.102 nan 8.230 nan 0.000 0.441 368 M N -0.636 118.966 119.600 0.002 0.000 2.229 368 M HA 0.123 4.603 4.480 -0.000 0.000 0.264 368 M C 1.895 178.239 176.300 0.074 0.000 1.063 368 M CA 1.252 56.582 55.300 0.050 0.000 1.114 368 M CB -1.553 31.161 32.600 0.191 0.000 1.387 368 M HN 0.499 nan 8.290 nan 0.000 0.420 369 G N 0.257 109.159 108.800 0.169 0.000 2.213 369 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 369 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 369 G C 0.115 175.333 174.900 0.530 0.000 0.991 369 G CA 0.268 45.562 45.100 0.324 0.000 0.629 369 G HN 0.481 nan 8.290 nan 0.000 0.517 370 N N 2.604 121.574 118.700 0.449 0.000 2.374 370 N HA 0.406 5.146 4.740 -0.000 0.000 0.241 370 N C -2.106 173.537 175.510 0.222 0.000 1.262 370 N CA -0.076 53.180 53.050 0.344 0.000 0.880 370 N CB 0.595 39.269 38.487 0.312 0.000 1.105 370 N HN 0.265 nan 8.380 nan 0.000 0.438 371 P HA 0.151 nan 4.420 nan 0.000 0.276 371 P C -0.790 176.525 177.300 0.025 0.000 1.235 371 P CA -0.210 62.922 63.100 0.054 0.000 0.772 371 P CB 0.451 32.158 31.700 0.010 0.000 0.871 372 C N 3.504 122.815 119.300 0.018 0.000 2.455 372 C HA 0.619 5.079 4.460 -0.000 0.000 0.320 372 C C 0.111 175.071 174.990 -0.050 0.000 1.226 372 C CA -0.462 58.536 59.018 -0.033 0.000 1.569 372 C CB 1.590 29.326 27.740 -0.007 0.000 2.200 372 C HN 0.352 nan 8.230 nan 0.000 0.491 373 V N 2.941 122.815 119.914 -0.067 0.000 2.588 373 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 373 V C -0.421 175.636 176.094 -0.063 0.000 1.042 373 V CA -0.435 61.825 62.300 -0.067 0.000 0.877 373 V CB 1.999 33.791 31.823 -0.051 0.000 0.996 373 V HN 0.882 nan 8.190 nan 0.000 0.425 374 N N 3.118 121.779 118.700 -0.064 0.000 2.455 374 N HA 0.536 5.276 4.740 -0.000 0.000 0.280 374 N C -1.123 174.368 175.510 -0.031 0.000 1.055 374 N CA -0.183 52.843 53.050 -0.041 0.000 0.961 374 N CB 1.599 40.069 38.487 -0.028 0.000 1.121 374 N HN 0.416 nan 8.380 nan 0.000 0.476 375 V N 5.412 125.313 119.914 -0.022 0.000 2.407 375 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 375 V C -2.186 173.899 176.094 -0.015 0.000 1.018 375 V CA -1.811 60.478 62.300 -0.019 0.000 0.842 375 V CB 1.598 33.413 31.823 -0.014 0.000 0.996 375 V HN 0.751 nan 8.190 nan 0.000 0.426 376 P HA 0.149 nan 4.420 nan 0.000 0.267 376 P C 0.416 177.701 177.300 -0.025 0.000 1.209 376 P CA 0.347 63.436 63.100 -0.018 0.000 0.763 376 P CB 1.197 32.886 31.700 -0.018 0.000 0.816 377 V N 3.815 123.713 119.914 -0.026 0.000 2.721 377 V HA 0.161 4.281 4.120 -0.000 0.000 0.236 377 V C 0.788 176.862 176.094 -0.033 0.000 1.116 377 V CA 1.133 63.417 62.300 -0.028 0.000 1.148 377 V CB -0.341 31.470 31.823 -0.020 0.000 0.886 377 V HN 0.418 nan 8.190 nan 0.000 0.490 378 L N -1.530 119.669 121.223 -0.039 0.000 2.910 378 L HA 0.674 5.014 4.340 -0.000 0.000 0.271 378 L C -1.658 175.173 176.870 -0.065 0.000 1.056 378 L CA -0.872 53.941 54.840 -0.046 0.000 1.006 378 L CB 1.400 43.438 42.059 -0.035 0.000 1.589 378 L HN 0.052 nan 8.230 nan 0.000 0.365 379 K N 0.172 120.533 120.400 -0.066 0.000 2.468 379 K HA 0.782 5.101 4.320 -0.000 0.000 0.252 379 K C -1.502 175.057 176.600 -0.068 0.000 0.932 379 K CA -0.719 55.517 56.287 -0.086 0.000 0.794 379 K CB 3.020 35.459 32.500 -0.101 0.000 1.241 379 K HN 0.399 nan 8.250 nan 0.000 0.428 380 V N 1.793 121.661 119.914 -0.077 0.000 2.378 380 V HA 0.428 4.548 4.120 -0.000 0.000 0.288 380 V C 0.829 176.875 176.094 -0.079 0.000 1.016 380 V CA -0.183 62.078 62.300 -0.065 0.000 0.840 380 V CB 1.001 32.789 31.823 -0.058 0.000 0.994 380 V HN 1.072 nan 8.190 nan 0.000 0.431 381 G N 3.707 112.470 108.800 -0.061 0.000 2.179 381 G HA2 0.021 3.981 3.960 -0.000 0.000 0.257 381 G HA3 0.021 3.981 3.960 -0.000 0.000 0.257 381 G C 1.148 176.003 174.900 -0.075 0.000 1.010 381 G CA 0.671 45.735 45.100 -0.061 0.000 0.736 381 G HN 2.252 nan 8.290 nan 0.000 0.513 382 G N -2.278 106.480 108.800 -0.070 0.000 2.199 382 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.254 382 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.254 382 G C 0.257 175.098 174.900 -0.099 0.000 0.982 382 G CA 0.467 45.531 45.100 -0.059 0.000 0.632 382 G HN 1.244 nan 8.290 nan 0.000 0.529 383 L N 1.395 122.526 121.223 -0.153 0.000 2.275 383 L HA 0.442 4.782 4.340 -0.000 0.000 0.288 383 L C -1.943 174.817 176.870 -0.182 0.000 1.046 383 L CA -1.940 52.780 54.840 -0.199 0.000 0.805 383 L CB 0.787 42.679 42.059 -0.277 0.000 1.193 383 L HN -0.121 nan 8.230 nan 0.000 0.426 384 P HA 0.157 nan 4.420 nan 0.000 0.267 384 P C -0.567 176.694 177.300 -0.065 0.000 1.200 384 P CA 0.136 63.119 63.100 -0.195 0.000 0.772 384 P CB 0.781 32.307 31.700 -0.290 0.000 0.855 385 I N 1.679 122.224 120.570 -0.043 0.000 2.533 385 I HA 0.537 4.707 4.170 -0.000 0.000 0.290 385 I C 0.579 176.699 176.117 0.005 0.000 1.056 385 I CA -0.154 61.148 61.300 0.003 0.000 1.057 385 I CB 1.724 39.719 38.000 -0.009 0.000 1.240 385 I HN 0.441 nan 8.210 nan 0.000 0.423 386 G N 4.575 113.392 108.800 0.028 0.000 2.818 386 G HA2 0.795 4.755 3.960 -0.000 0.000 0.286 386 G HA3 0.795 4.755 3.960 -0.000 0.000 0.286 386 G C -1.082 173.831 174.900 0.023 0.000 1.364 386 G CA -0.537 44.572 45.100 0.016 0.000 0.938 386 G HN 0.480 nan 8.290 nan 0.000 0.490 387 V N -2.439 117.477 119.914 0.003 0.000 2.914 387 V HA 0.784 4.903 4.120 -0.000 0.000 0.314 387 V C -0.595 175.481 176.094 -0.030 0.000 1.084 387 V CA -1.076 61.217 62.300 -0.011 0.000 0.963 387 V CB 1.607 33.412 31.823 -0.031 0.000 1.025 387 V HN 0.860 nan 8.190 nan 0.000 0.432 388 Q N 1.773 121.540 119.800 -0.055 0.000 2.325 388 Q HA 0.661 5.001 4.340 -0.000 0.000 0.262 388 Q C -1.554 174.367 176.000 -0.133 0.000 0.968 388 Q CA -0.588 55.163 55.803 -0.087 0.000 0.877 388 Q CB 1.976 30.662 28.738 -0.086 0.000 1.253 388 Q HN 0.802 nan 8.270 nan 0.000 0.448 389 V N 6.552 126.402 119.914 -0.107 0.000 2.383 389 V HA 0.406 4.526 4.120 -0.000 0.000 0.275 389 V C -0.112 175.906 176.094 -0.127 0.000 1.036 389 V CA -0.345 61.895 62.300 -0.101 0.000 0.889 389 V CB 0.986 32.775 31.823 -0.057 0.000 0.985 389 V HN 0.725 nan 8.190 nan 0.000 0.459 390 I N 4.315 124.802 120.570 -0.138 0.000 2.436 390 I HA 0.764 4.933 4.170 -0.000 0.000 0.289 390 I C 0.288 176.443 176.117 0.064 0.000 1.010 390 I CA -0.392 60.840 61.300 -0.113 0.000 1.098 390 I CB 1.878 39.671 38.000 -0.345 0.000 1.266 390 I HN 0.668 nan 8.210 nan 0.000 0.434 391 A N 6.115 128.929 122.820 -0.011 0.000 2.312 391 A HA 0.806 5.125 4.320 -0.000 0.000 0.310 391 A C -0.164 177.063 177.584 -0.595 0.000 1.139 391 A CA -0.791 51.183 52.037 -0.105 0.000 0.886 391 A CB 0.870 19.863 19.000 -0.012 0.000 1.350 391 A HN 0.752 nan 8.150 nan 0.000 0.479 392 R N -0.689 119.214 120.500 -0.995 0.000 2.738 392 R HA 0.273 4.613 4.340 -0.000 0.000 0.268 392 R C -0.429 175.692 176.300 -0.298 0.000 1.062 392 R CA -0.304 55.172 56.100 -1.040 0.000 1.158 392 R CB 0.167 30.055 30.300 -0.686 0.000 1.046 392 R HN 0.548 nan 8.270 nan 0.000 0.493 393 F N 1.216 121.034 119.950 -0.221 0.000 2.629 393 F HA 0.090 4.618 4.527 0.001 0.000 0.377 393 F C 1.460 177.229 175.800 -0.052 0.000 1.101 393 F CA 1.871 59.839 58.000 -0.055 0.000 1.301 393 F CB 0.298 39.308 39.000 0.018 0.000 1.062 393 F HN 0.844 nan 8.300 nan 0.000 0.583 394 G N 3.772 112.150 108.800 -0.703 0.000 2.184 394 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.264 394 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.264 394 G C 0.496 175.247 174.900 -0.248 0.000 0.975 394 G CA 0.441 45.251 45.100 -0.484 0.000 0.642 394 G HN 0.737 nan 8.290 nan 0.000 0.536 395 N N 0.747 119.335 118.700 -0.187 0.000 2.546 395 N HA 0.404 5.144 4.740 -0.000 0.000 0.286 395 N C 1.092 176.579 175.510 -0.039 0.000 1.259 395 N CA 0.308 53.296 53.050 -0.104 0.000 0.939 395 N CB 0.223 38.660 38.487 -0.083 0.000 1.243 395 N HN 0.344 nan 8.380 nan 0.000 0.511 396 D N 0.244 120.616 120.400 -0.047 0.000 2.116 396 D HA -0.205 4.434 4.640 -0.000 0.000 0.193 396 D C 1.900 178.281 176.300 0.135 0.000 0.998 396 D CA 1.474 55.520 54.000 0.076 0.000 0.836 396 D CB -0.039 40.895 40.800 0.224 0.000 0.951 396 D HN 0.377 nan 8.370 nan 0.000 0.449 397 A N 0.304 123.149 122.820 0.042 0.000 1.917 397 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 397 A C 2.073 179.731 177.584 0.123 0.000 1.182 397 A CA 2.206 54.286 52.037 0.071 0.000 0.633 397 A CB -0.998 17.939 19.000 -0.105 0.000 0.819 397 A HN 0.411 nan 8.150 nan 0.000 0.448 398 H N -0.205 118.861 119.070 -0.007 0.000 2.423 398 H HA 0.157 4.713 4.556 -0.000 0.000 0.297 398 H C 2.087 177.433 175.328 0.030 0.000 1.075 398 H CA 1.506 57.554 56.048 0.001 0.000 1.342 398 H CB -0.302 29.439 29.762 -0.035 0.000 1.395 398 H HN 0.377 nan 8.280 nan 0.000 0.530 399 A N 0.521 123.300 122.820 -0.069 0.000 1.902 399 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 399 A C 2.491 180.049 177.584 -0.043 0.000 1.181 399 A CA 1.454 53.427 52.037 -0.107 0.000 0.623 399 A CB -0.804 18.176 19.000 -0.033 0.000 0.818 399 A HN 0.472 nan 8.150 nan 0.000 0.443 400 L N -0.952 120.297 121.223 0.043 0.000 2.093 400 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 400 L C 3.079 180.053 176.870 0.174 0.000 1.085 400 L CA 0.911 55.812 54.840 0.101 0.000 0.755 400 L CB -0.503 41.646 42.059 0.150 0.000 0.904 400 L HN 0.433 nan 8.230 nan 0.000 0.435 401 A N -0.388 122.520 122.820 0.145 0.000 1.902 401 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 401 A C 2.350 180.017 177.584 0.139 0.000 1.181 401 A CA 2.280 54.419 52.037 0.170 0.000 0.623 401 A CB -0.844 18.220 19.000 0.107 0.000 0.818 401 A HN 0.362 nan 8.150 nan 0.000 0.443 402 T N 0.118 114.663 114.554 -0.015 0.000 2.904 402 T HA 0.085 4.435 4.350 -0.000 0.000 0.267 402 T C 2.180 176.992 174.700 0.188 0.000 1.059 402 T CA 1.243 63.356 62.100 0.021 0.000 1.137 402 T CB -0.326 68.424 68.868 -0.197 0.000 0.879 402 T HN 0.570 nan 8.240 nan 0.000 0.467 403 A N 1.030 123.923 122.820 0.123 0.000 1.898 403 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 403 A C 2.092 179.800 177.584 0.205 0.000 1.181 403 A CA 1.148 53.256 52.037 0.118 0.000 0.620 403 A CB -0.947 18.084 19.000 0.053 0.000 0.819 403 A HN 0.628 nan 8.150 nan 0.000 0.442 404 W N 0.187 121.512 121.300 0.042 0.000 2.358 404 W HA -0.192 4.468 4.660 -0.001 0.000 0.303 404 W C 1.901 178.451 176.519 0.052 0.000 1.208 404 W CA 1.277 58.645 57.345 0.038 0.000 1.274 404 W CB -1.035 28.454 29.460 0.049 0.000 1.138 404 W HN 0.440 nan 8.180 nan 0.000 0.515 405 F N 0.764 120.824 119.950 0.183 0.000 2.095 405 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 405 F C 2.365 178.205 175.800 0.066 0.000 1.104 405 F CA 2.297 60.327 58.000 0.050 0.000 1.232 405 F CB -1.047 37.952 39.000 -0.001 0.000 0.987 405 F HN -0.160 nan 8.300 nan 0.000 0.475 406 L N 0.312 121.491 121.223 -0.073 0.000 2.046 406 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 406 L C 2.391 179.165 176.870 -0.160 0.000 1.077 406 L CA 1.930 56.651 54.840 -0.198 0.000 0.747 406 L CB -0.535 41.539 42.059 0.024 0.000 0.896 406 L HN 0.273 nan 8.230 nan 0.000 0.432 407 E N -0.275 119.911 120.200 -0.024 0.000 2.058 407 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 407 E C 1.740 178.327 176.600 -0.022 0.000 0.997 407 E CA 1.561 57.960 56.400 -0.002 0.000 0.801 407 E CB -0.104 29.626 29.700 0.051 0.000 0.746 407 E HN 0.550 nan 8.360 nan 0.000 0.450 408 D N 0.386 120.783 120.400 -0.005 0.000 2.144 408 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 408 D C 1.899 178.109 176.300 -0.150 0.000 0.978 408 D CA 1.187 55.164 54.000 -0.038 0.000 0.833 408 D CB -0.243 40.545 40.800 -0.020 0.000 0.961 408 D HN 0.157 nan 8.370 nan 0.000 0.470 409 A N 0.797 123.425 122.820 -0.320 0.000 1.902 409 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 409 A C 2.384 179.861 177.584 -0.179 0.000 1.181 409 A CA 0.912 52.746 52.037 -0.338 0.000 0.623 409 A CB -0.767 17.877 19.000 -0.594 0.000 0.818 409 A HN 0.208 nan 8.150 nan 0.000 0.443 410 L N -0.980 120.157 121.223 -0.145 0.000 2.141 410 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 410 L C 2.818 179.652 176.870 -0.060 0.000 1.094 410 L CA 0.928 55.717 54.840 -0.085 0.000 0.763 410 L CB -0.393 41.626 42.059 -0.067 0.000 0.908 410 L HN 0.424 nan 8.230 nan 0.000 0.437 411 A N -1.271 121.517 122.820 -0.055 0.000 2.206 411 A HA -0.044 4.276 4.320 -0.000 0.000 0.211 411 A C 0.604 178.168 177.584 -0.035 0.000 1.158 411 A CA 0.115 52.132 52.037 -0.033 0.000 0.761 411 A CB -0.016 18.975 19.000 -0.015 0.000 0.801 411 A HN 0.292 nan 8.150 nan 0.000 0.473 412 K N -1.467 118.901 120.400 -0.053 0.000 3.585 412 K HA -0.151 4.169 4.320 -0.000 0.000 0.275 412 K C 0.048 176.626 176.600 -0.037 0.000 1.026 412 K CA 1.146 57.405 56.287 -0.048 0.000 0.800 412 K CB -2.602 29.879 32.500 -0.032 0.000 1.401 412 K HN 1.426 nan 8.250 nan 0.000 0.453 413 S N 0.000 115.673 115.700 -0.045 0.000 2.498 413 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 413 S CA 0.000 nan 58.200 nan 0.000 1.107 413 S CB 0.000 nan 63.200 nan 0.000 0.593 413 S HN 0.000 nan 8.310 nan 0.000 0.517