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 4cox_1_C DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.640 177.584 0.093 0.000 1.274 33 A CA 0.000 52.087 52.037 0.084 0.000 0.836 33 A CB 0.000 19.061 19.000 0.102 0.000 0.831 34 N N 2.623 121.366 118.700 0.072 0.000 2.374 34 N HA 0.072 4.812 4.740 -0.000 0.000 0.269 34 N C -1.578 173.965 175.510 0.055 0.000 1.310 34 N CA -0.401 52.686 53.050 0.062 0.000 0.877 34 N CB 1.115 39.625 38.487 0.039 0.000 1.096 34 N HN 0.298 nan 8.380 nan 0.000 0.484 35 P HA -0.024 nan 4.420 nan 0.000 0.236 35 P C 0.566 177.875 177.300 0.016 0.000 1.172 35 P CA 0.574 63.736 63.100 0.104 0.000 0.759 35 P CB 0.131 31.941 31.700 0.184 0.000 0.843 36 c N -1.844 116.742 118.600 -0.024 0.000 2.912 36 c HA 0.113 4.683 4.570 -0.000 0.000 0.274 36 c C 2.793 176.809 174.090 -0.123 0.000 1.248 36 c CA -0.176 56.078 56.329 -0.125 0.000 1.694 36 c CB -1.797 40.672 42.510 -0.068 0.000 2.024 36 c HN 0.329 nan 8.230 nan 0.000 0.605 37 c N 1.866 120.428 118.600 -0.064 0.000 2.392 37 c HA -0.172 4.398 4.570 -0.000 0.000 0.276 37 c C 2.817 176.861 174.090 -0.077 0.000 1.212 37 c CA 2.300 58.598 56.329 -0.052 0.000 1.791 37 c CB -1.434 41.066 42.510 -0.016 0.000 2.063 37 c HN 0.810 nan 8.230 nan 0.000 0.481 38 S N 0.319 115.957 115.700 -0.103 0.000 2.727 38 S HA -0.023 4.447 4.470 -0.000 0.000 0.226 38 S C 0.477 174.986 174.600 -0.151 0.000 0.963 38 S CA 0.439 58.573 58.200 -0.111 0.000 0.950 38 S CB -1.065 62.072 63.200 -0.105 0.000 0.779 38 S HN 0.755 nan 8.310 nan 0.000 0.532 39 N N 1.793 120.390 118.700 -0.172 0.000 2.708 39 N HA -0.113 4.626 4.740 -0.000 0.000 0.251 39 N C -1.767 173.617 175.510 -0.209 0.000 1.017 39 N CA 0.862 53.802 53.050 -0.184 0.000 0.742 39 N CB -1.034 37.360 38.487 -0.155 0.000 0.943 39 N HN 0.560 nan 8.380 nan 0.000 0.539 40 P HA -0.073 nan 4.420 nan 0.000 0.223 40 P C 0.213 177.402 177.300 -0.185 0.000 1.144 40 P CA 0.790 63.706 63.100 -0.308 0.000 0.783 40 P CB -0.004 31.269 31.700 -0.711 0.000 0.771 41 c N 2.665 121.163 118.600 -0.171 0.000 2.322 41 c HA 0.312 4.881 4.570 -0.000 0.000 0.343 41 c C 1.021 175.052 174.090 -0.098 0.000 1.190 41 c CA -0.666 55.616 56.329 -0.079 0.000 1.704 41 c CB -1.026 41.463 42.510 -0.034 0.000 2.293 41 c HN 0.261 nan 8.230 nan 0.000 0.523 42 Q N 1.749 121.490 119.800 -0.098 0.000 2.272 42 Q HA 0.178 4.517 4.340 -0.000 0.000 0.192 42 Q C 0.899 176.776 176.000 -0.205 0.000 1.059 42 Q CA -0.029 55.677 55.803 -0.163 0.000 1.084 42 Q CB 0.237 28.862 28.738 -0.189 0.000 1.139 42 Q HN 0.677 nan 8.270 nan 0.000 0.593 43 N N 0.457 118.962 118.700 -0.325 0.000 2.677 43 N HA -0.297 4.443 4.740 -0.000 0.000 0.249 43 N C 0.072 175.483 175.510 -0.165 0.000 1.073 43 N CA 1.380 54.190 53.050 -0.400 0.000 0.737 43 N CB -0.366 37.530 38.487 -0.985 0.000 0.999 43 N HN 0.632 nan 8.380 nan 0.000 0.543 44 R N -3.166 117.260 120.500 -0.123 0.000 3.224 44 R HA -0.115 4.225 4.340 -0.000 0.000 0.473 44 R C 0.793 177.085 176.300 -0.014 0.000 0.599 44 R CA 1.299 57.360 56.100 -0.064 0.000 1.436 44 R CB -1.655 28.626 30.300 -0.031 0.000 2.091 44 R HN 0.436 nan 8.270 nan 0.000 0.386 45 G N 0.543 109.343 108.800 0.001 0.000 2.732 45 G HA2 0.206 4.165 3.960 -0.000 0.000 0.244 45 G HA3 0.206 4.165 3.960 -0.000 0.000 0.244 45 G C -0.465 174.454 174.900 0.032 0.000 1.226 45 G CA -0.100 45.023 45.100 0.039 0.000 0.860 45 G HN 0.327 nan 8.290 nan 0.000 0.583 46 E N -1.247 118.990 120.200 0.062 0.000 2.214 46 E HA 0.324 4.674 4.350 -0.000 0.000 0.274 46 E C -0.686 175.958 176.600 0.073 0.000 0.977 46 E CA -0.568 55.877 56.400 0.075 0.000 0.827 46 E CB 1.936 31.705 29.700 0.115 0.000 1.130 46 E HN 0.402 nan 8.360 nan 0.000 0.394 47 c N 4.230 122.862 118.600 0.053 0.000 2.341 47 c HA 0.599 5.169 4.570 -0.000 0.000 0.338 47 c C -0.413 173.733 174.090 0.094 0.000 1.257 47 c CA -0.398 55.967 56.329 0.060 0.000 1.883 47 c CB -0.182 42.302 42.510 -0.043 0.000 2.334 47 c HN 0.718 nan 8.230 nan 0.000 0.524 48 M N 5.105 124.785 119.600 0.134 0.000 2.327 48 M HA 0.307 4.787 4.480 -0.000 0.000 0.298 48 M C -0.011 176.366 176.300 0.128 0.000 1.065 48 M CA -0.041 55.326 55.300 0.113 0.000 0.916 48 M CB 2.295 34.949 32.600 0.089 0.000 1.630 48 M HN 0.825 nan 8.290 nan 0.000 0.442 49 S N 2.091 117.846 115.700 0.092 0.000 2.700 49 S HA 0.143 4.613 4.470 -0.000 0.000 0.321 49 S C 0.620 175.238 174.600 0.030 0.000 1.161 49 S CA -0.534 57.712 58.200 0.077 0.000 1.078 49 S CB -0.995 62.227 63.200 0.037 0.000 1.302 49 S HN 0.702 nan 8.310 nan 0.000 0.540 50 T N 0.175 114.755 114.554 0.042 0.000 3.783 50 T HA 0.595 4.945 4.350 -0.000 0.000 0.262 50 T C 0.661 175.363 174.700 0.004 0.000 1.381 50 T CA -0.085 62.020 62.100 0.009 0.000 1.155 50 T CB -0.878 67.995 68.868 0.008 0.000 1.256 50 T HN 1.416 nan 8.240 nan 0.000 0.807 51 G N 0.987 109.772 108.800 -0.025 0.000 2.428 51 G HA2 0.045 4.005 3.960 -0.000 0.000 0.681 51 G HA3 0.045 4.005 3.960 -0.000 0.000 0.681 51 G C -0.193 174.727 174.900 0.032 0.000 1.340 51 G CA -0.731 44.369 45.100 -0.000 0.000 0.915 51 G HN 0.169 nan 8.290 nan 0.000 0.645 52 F N 0.152 120.124 119.950 0.037 0.000 2.091 52 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 52 F C 2.261 178.093 175.800 0.052 0.000 1.103 52 F CA 2.298 60.323 58.000 0.042 0.000 1.228 52 F CB 0.172 39.192 39.000 0.034 0.000 0.984 52 F HN 0.429 nan 8.300 nan 0.000 0.477 53 D N -0.712 119.837 120.400 0.247 0.000 2.462 53 D HA 0.125 4.765 4.640 -0.000 0.000 0.221 53 D C -0.066 176.320 176.300 0.145 0.000 1.173 53 D CA 0.226 54.328 54.000 0.170 0.000 0.831 53 D CB 0.349 41.227 40.800 0.129 0.000 1.001 53 D HN 0.311 nan 8.370 nan 0.000 0.499 54 Q N 0.099 119.977 119.800 0.130 0.000 2.416 54 Q HA 0.539 4.879 4.340 -0.000 0.000 0.279 54 Q C -0.833 175.255 176.000 0.146 0.000 1.101 54 Q CA -0.907 54.945 55.803 0.081 0.000 0.830 54 Q CB 2.096 30.842 28.738 0.014 0.000 1.402 54 Q HN 0.177 nan 8.270 nan 0.000 0.445 55 Y N -2.310 118.006 120.300 0.028 0.000 2.655 55 Y HA 0.858 5.408 4.550 -0.000 0.000 0.336 55 Y C -1.484 174.429 175.900 0.021 0.000 1.154 55 Y CA -1.190 56.923 58.100 0.022 0.000 1.055 55 Y CB 1.601 40.073 38.460 0.021 0.000 1.295 55 Y HN 0.378 nan 8.280 nan 0.000 0.465 56 K N 1.419 121.966 120.400 0.245 0.000 2.525 56 K HA 0.556 4.876 4.320 -0.000 0.000 0.254 56 K C -2.167 174.565 176.600 0.220 0.000 0.934 56 K CA -0.344 56.013 56.287 0.117 0.000 0.802 56 K CB 2.018 34.546 32.500 0.047 0.000 1.295 56 K HN 0.993 nan 8.250 nan 0.000 0.433 57 c N 2.220 120.934 118.600 0.190 0.000 2.295 57 c HA 0.307 4.877 4.570 -0.000 0.000 0.331 57 c C 0.057 174.212 174.090 0.108 0.000 1.280 57 c CA -0.692 55.733 56.329 0.160 0.000 1.746 57 c CB 0.330 42.938 42.510 0.164 0.000 2.328 57 c HN 0.673 nan 8.230 nan 0.000 0.521 58 D N 1.870 122.327 120.400 0.094 0.000 2.483 58 D HA 0.197 4.837 4.640 -0.000 0.000 0.220 58 D C 0.506 176.856 176.300 0.084 0.000 1.173 58 D CA -0.292 53.756 54.000 0.080 0.000 0.964 58 D CB 0.149 40.992 40.800 0.072 0.000 1.046 58 D HN 0.654 nan 8.370 nan 0.000 0.517 59 c N 2.804 121.463 118.600 0.098 0.000 2.460 59 c HA 0.102 4.672 4.570 -0.000 0.000 0.322 59 c C 0.887 175.044 174.090 0.113 0.000 1.333 59 c CA -0.447 55.954 56.329 0.119 0.000 1.631 59 c CB -2.127 40.481 42.510 0.163 0.000 1.672 59 c HN 0.455 nan 8.230 nan 0.000 0.596 60 T N 1.363 115.967 114.554 0.084 0.000 2.871 60 T HA 0.083 4.433 4.350 -0.000 0.000 0.296 60 T C 1.096 175.839 174.700 0.072 0.000 0.998 60 T CA 0.492 62.633 62.100 0.068 0.000 1.162 60 T CB 0.095 68.992 68.868 0.049 0.000 0.947 60 T HN 0.644 nan 8.240 nan 0.000 0.536 61 R N -0.084 120.456 120.500 0.066 0.000 4.010 61 R HA -0.253 4.087 4.340 -0.000 0.000 0.409 61 R C 2.025 178.378 176.300 0.088 0.000 1.120 61 R CA 1.506 57.642 56.100 0.060 0.000 1.244 61 R CB -2.302 28.024 30.300 0.043 0.000 1.799 61 R HN 0.940 nan 8.270 nan 0.000 0.559 62 T N -4.159 110.474 114.554 0.132 0.000 2.788 62 T HA 0.036 4.385 4.350 -0.000 0.000 0.268 62 T C 1.588 176.448 174.700 0.267 0.000 1.044 62 T CA 1.568 63.793 62.100 0.208 0.000 1.139 62 T CB 0.081 69.096 68.868 0.245 0.000 0.867 62 T HN 0.843 nan 8.240 nan 0.000 0.454 63 G N 0.342 109.237 108.800 0.160 0.000 2.163 63 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.213 63 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.213 63 G C -0.143 174.552 174.900 -0.342 0.000 0.991 63 G CA -0.171 44.891 45.100 -0.062 0.000 0.653 63 G HN 0.563 nan 8.290 nan 0.000 0.518 64 F N -0.405 119.598 119.950 0.088 0.000 2.620 64 F HA 0.827 5.354 4.527 -0.000 0.000 0.320 64 F C 0.249 176.155 175.800 0.176 0.000 1.069 64 F CA -1.323 56.706 58.000 0.049 0.000 0.953 64 F CB 1.386 40.365 39.000 -0.036 0.000 1.322 64 F HN 0.211 nan 8.300 nan 0.000 0.479 65 Y N -1.093 119.326 120.300 0.198 0.000 2.805 65 Y HA 0.929 5.479 4.550 -0.000 0.000 0.323 65 Y C 0.102 176.074 175.900 0.120 0.000 1.279 65 Y CA -2.076 56.098 58.100 0.123 0.000 1.103 65 Y CB 0.809 39.312 38.460 0.070 0.000 1.324 65 Y HN 1.037 nan 8.280 nan 0.000 0.498 66 G N 0.169 109.157 108.800 0.314 0.000 2.699 66 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 66 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 66 G C 0.342 175.314 174.900 0.121 0.000 1.301 66 G CA -0.009 45.198 45.100 0.177 0.000 0.816 66 G HN 1.208 nan 8.290 nan 0.000 0.595 67 E N -0.033 120.219 120.200 0.086 0.000 2.200 67 E HA -0.277 4.073 4.350 -0.000 0.000 0.211 67 E C 1.422 178.097 176.600 0.125 0.000 1.048 67 E CA 2.083 58.526 56.400 0.072 0.000 0.851 67 E CB -0.070 29.653 29.700 0.039 0.000 0.747 67 E HN 0.432 nan 8.360 nan 0.000 0.462 68 N N -1.068 117.696 118.700 0.106 0.000 2.282 68 N HA 0.108 4.848 4.740 -0.000 0.000 0.240 68 N C -0.843 174.688 175.510 0.035 0.000 1.182 68 N CA 0.469 53.576 53.050 0.095 0.000 0.874 68 N CB 0.412 38.940 38.487 0.068 0.000 1.126 68 N HN 0.161 nan 8.380 nan 0.000 0.516 69 c N 0.559 119.200 118.600 0.068 0.000 4.167 69 c HA -0.132 4.438 4.570 -0.000 0.000 0.302 69 c C 1.835 175.903 174.090 -0.036 0.000 1.384 69 c CA 1.025 57.401 56.329 0.080 0.000 2.041 69 c CB -3.012 39.531 42.510 0.055 0.000 1.303 69 c HN 0.569 nan 8.230 nan 0.000 0.718 70 T N -3.124 111.425 114.554 -0.009 0.000 3.071 70 T HA 0.133 4.483 4.350 -0.000 0.000 0.239 70 T C 0.836 175.583 174.700 0.077 0.000 0.997 70 T CA 1.063 63.124 62.100 -0.065 0.000 1.134 70 T CB -0.152 68.688 68.868 -0.047 0.000 0.928 70 T HN 0.817 nan 8.240 nan 0.000 0.453 71 T N 5.263 119.794 114.554 -0.038 0.000 2.769 71 T HA 0.305 4.655 4.350 -0.000 0.000 0.293 71 T C -2.564 171.887 174.700 -0.416 0.000 0.931 71 T CA -1.776 60.180 62.100 -0.241 0.000 1.139 71 T CB 0.351 68.949 68.868 -0.449 0.000 0.881 71 T HN 0.090 nan 8.240 nan 0.000 0.532 72 P HA 0.270 nan 4.420 nan 0.000 0.274 72 P C -0.196 176.914 177.300 -0.316 0.000 1.237 72 P CA -0.378 62.390 63.100 -0.554 0.000 0.793 72 P CB 0.778 32.223 31.700 -0.425 0.000 0.977 73 E N -0.003 120.088 120.200 -0.182 0.000 2.373 73 E HA 0.099 4.449 4.350 -0.000 0.000 0.263 73 E C 0.852 177.490 176.600 0.064 0.000 1.073 73 E CA -0.230 56.279 56.400 0.182 0.000 0.894 73 E CB -0.063 29.676 29.700 0.065 0.000 1.008 73 E HN 0.376 nan 8.360 nan 0.000 0.420 74 F N 2.917 122.890 119.950 0.039 0.000 2.087 74 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 74 F C 1.502 177.282 175.800 -0.032 0.000 1.100 74 F CA 1.606 59.607 58.000 0.002 0.000 1.226 74 F CB -0.173 38.835 39.000 0.013 0.000 0.983 74 F HN 0.494 nan 8.300 nan 0.000 0.479 75 L N -0.187 120.878 121.223 -0.263 0.000 2.353 75 L HA -0.167 4.173 4.340 -0.000 0.000 0.220 75 L C 2.042 178.723 176.870 -0.314 0.000 1.133 75 L CA 1.640 56.252 54.840 -0.379 0.000 0.798 75 L CB -0.545 41.444 42.059 -0.117 0.000 0.922 75 L HN 0.256 nan 8.230 nan 0.000 0.445 76 T N -1.188 113.196 114.554 -0.283 0.000 2.896 76 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 76 T C 1.890 176.444 174.700 -0.243 0.000 1.050 76 T CA 0.810 62.730 62.100 -0.300 0.000 1.140 76 T CB -0.041 68.503 68.868 -0.540 0.000 0.877 76 T HN 0.341 nan 8.240 nan 0.000 0.457 77 R N 0.932 121.281 120.500 -0.251 0.000 2.094 77 R HA -0.051 4.289 4.340 -0.000 0.000 0.239 77 R C 2.364 178.550 176.300 -0.189 0.000 1.137 77 R CA 1.542 57.538 56.100 -0.174 0.000 0.943 77 R CB -0.827 29.374 30.300 -0.165 0.000 0.850 77 R HN 0.358 nan 8.270 nan 0.000 0.433 78 I N 1.380 121.757 120.570 -0.321 0.000 2.093 78 I HA -0.421 3.749 4.170 -0.000 0.000 0.239 78 I C 2.326 178.356 176.117 -0.146 0.000 1.026 78 I CA 1.801 62.942 61.300 -0.265 0.000 1.295 78 I CB -0.539 37.251 38.000 -0.350 0.000 1.007 78 I HN 0.211 nan 8.210 nan 0.000 0.401 79 K N 0.682 121.002 120.400 -0.134 0.000 2.044 79 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 79 K C 2.129 178.712 176.600 -0.028 0.000 1.049 79 K CA 1.434 57.681 56.287 -0.067 0.000 0.927 79 K CB -0.401 32.066 32.500 -0.055 0.000 0.713 79 K HN 0.338 nan 8.250 nan 0.000 0.443 80 L N 0.967 122.175 121.223 -0.025 0.000 1.989 80 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 80 L C 1.707 178.577 176.870 0.000 0.000 1.071 80 L CA 1.099 55.947 54.840 0.013 0.000 0.749 80 L CB -0.519 41.557 42.059 0.029 0.000 0.890 80 L HN 0.194 nan 8.230 nan 0.000 0.431 81 L N 1.069 122.278 121.223 -0.024 0.000 2.912 81 L HA -0.023 4.317 4.340 -0.000 0.000 0.246 81 L C 0.312 177.168 176.870 -0.024 0.000 1.371 81 L CA -0.101 54.727 54.840 -0.021 0.000 1.196 81 L CB 0.106 42.147 42.059 -0.030 0.000 1.596 81 L HN 0.320 nan 8.230 nan 0.000 0.429 82 L N -0.833 120.382 121.223 -0.014 0.000 4.639 82 L HA 0.167 4.507 4.340 -0.000 0.000 0.462 82 L C 0.084 176.955 176.870 0.001 0.000 1.019 82 L CA 0.290 55.121 54.840 -0.015 0.000 1.733 82 L CB 0.120 42.160 42.059 -0.030 0.000 1.673 82 L HN 0.068 nan 8.230 nan 0.000 0.613 83 K N 3.073 123.484 120.400 0.017 0.000 2.263 83 K HA 0.496 4.816 4.320 -0.000 0.000 0.282 83 K C -2.146 174.480 176.600 0.043 0.000 1.089 83 K CA -1.617 54.694 56.287 0.040 0.000 0.907 83 K CB 0.729 33.264 32.500 0.058 0.000 1.148 83 K HN -0.053 nan 8.250 nan 0.000 0.470 84 P HA 0.003 nan 4.420 nan 0.000 0.267 84 P C -0.386 176.954 177.300 0.067 0.000 1.205 84 P CA -0.334 62.795 63.100 0.049 0.000 0.765 84 P CB 0.597 32.327 31.700 0.048 0.000 0.828 85 T N 1.260 115.851 114.554 0.062 0.000 2.795 85 T HA 0.070 4.420 4.350 -0.000 0.000 0.314 85 T C -1.663 173.093 174.700 0.094 0.000 1.069 85 T CA -1.006 61.136 62.100 0.070 0.000 1.071 85 T CB -0.448 68.457 68.868 0.062 0.000 0.988 85 T HN 0.170 nan 8.240 nan 0.000 0.543 86 P HA -0.132 nan 4.420 nan 0.000 0.214 86 P C 1.604 179.004 177.300 0.166 0.000 1.163 86 P CA 1.241 64.412 63.100 0.117 0.000 0.889 86 P CB -0.083 31.668 31.700 0.085 0.000 0.790 87 N N -1.241 117.549 118.700 0.149 0.000 2.120 87 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 87 N C 1.614 177.276 175.510 0.253 0.000 1.024 87 N CA 1.697 54.870 53.050 0.204 0.000 0.852 87 N CB -1.124 37.451 38.487 0.146 0.000 1.003 87 N HN 0.217 nan 8.380 nan 0.000 0.424 88 T N 1.825 116.482 114.554 0.170 0.000 2.652 88 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 88 T C 2.343 177.168 174.700 0.208 0.000 1.039 88 T CA 1.385 63.574 62.100 0.148 0.000 1.153 88 T CB -0.502 68.416 68.868 0.083 0.000 0.863 88 T HN 0.021 nan 8.240 nan 0.000 0.428 89 V N 1.387 121.403 119.914 0.171 0.000 2.358 89 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 89 V C 2.408 178.581 176.094 0.131 0.000 1.047 89 V CA 1.749 64.132 62.300 0.140 0.000 1.035 89 V CB -0.920 30.971 31.823 0.114 0.000 0.658 89 V HN 0.635 nan 8.190 nan 0.000 0.452 90 H N -0.888 118.246 119.070 0.107 0.000 2.387 90 H HA -0.256 4.300 4.556 -0.000 0.000 0.299 90 H C 2.287 177.707 175.328 0.154 0.000 1.099 90 H CA 2.481 58.582 56.048 0.089 0.000 1.315 90 H CB -0.083 29.768 29.762 0.148 0.000 1.380 90 H HN 0.539 nan 8.280 nan 0.000 0.513 91 Y N 1.431 121.823 120.300 0.154 0.000 2.070 91 Y HA -0.189 4.361 4.550 -0.000 0.000 0.279 91 Y C 2.770 178.895 175.900 0.374 0.000 1.134 91 Y CA 2.098 60.374 58.100 0.295 0.000 1.113 91 Y CB -0.635 37.983 38.460 0.263 0.000 0.981 91 Y HN 0.091 nan 8.280 nan 0.000 0.487 92 I N -0.154 120.746 120.570 0.551 0.000 2.399 92 I HA -0.325 3.845 4.170 -0.000 0.000 0.254 92 I C 2.060 178.431 176.117 0.423 0.000 1.146 92 I CA 0.749 62.309 61.300 0.434 0.000 1.412 92 I CB -0.546 37.534 38.000 0.133 0.000 1.076 92 I HN 0.330 nan 8.210 nan 0.000 0.432 93 L N 0.548 121.806 121.223 0.060 0.000 2.044 93 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 93 L C 2.457 179.078 176.870 -0.415 0.000 1.075 93 L CA 2.075 56.700 54.840 -0.359 0.000 0.747 93 L CB -1.487 40.008 42.059 -0.939 0.000 0.903 93 L HN 0.285 nan 8.230 nan 0.000 0.435 94 T N -1.651 112.664 114.554 -0.399 0.000 3.148 94 T HA 0.059 4.409 4.350 -0.000 0.000 0.253 94 T C 0.794 175.198 174.700 -0.492 0.000 1.134 94 T CA 0.205 61.954 62.100 -0.584 0.000 1.051 94 T CB -0.077 68.416 68.868 -0.625 0.000 0.959 94 T HN 0.292 nan 8.240 nan 0.000 0.525 95 H N -0.605 118.502 119.070 0.062 0.000 3.605 95 H HA 0.350 4.906 4.556 -0.000 0.000 0.307 95 H C 0.187 175.947 175.328 0.719 0.000 1.692 95 H CA -1.418 54.768 56.048 0.230 0.000 1.453 95 H CB 0.321 29.931 29.762 -0.254 0.000 1.511 95 H HN 0.050 nan 8.280 nan 0.000 0.809 96 F N 0.157 120.344 119.950 0.396 0.000 3.097 96 F HA -0.266 4.261 4.527 -0.000 0.000 0.278 96 F C 1.833 177.801 175.800 0.279 0.000 0.917 96 F CA 0.924 59.080 58.000 0.259 0.000 0.962 96 F CB -1.648 37.444 39.000 0.152 0.000 0.964 96 F HN 0.488 nan 8.300 nan 0.000 0.668 97 K N 0.947 121.493 120.400 0.243 0.000 2.071 97 K HA -0.259 4.061 4.320 -0.000 0.000 0.217 97 K C 2.390 179.031 176.600 0.068 0.000 1.054 97 K CA 2.130 58.331 56.287 -0.144 0.000 0.937 97 K CB -0.840 31.241 32.500 -0.699 0.000 0.719 97 K HN 0.522 nan 8.250 nan 0.000 0.454 98 G N 0.110 108.933 108.800 0.038 0.000 2.469 98 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 98 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 98 G C 1.482 176.420 174.900 0.065 0.000 1.150 98 G CA 1.218 46.344 45.100 0.044 0.000 0.763 98 G HN 0.250 nan 8.290 nan 0.000 0.561 99 V N -0.363 119.586 119.914 0.058 0.000 2.261 99 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 99 V C 2.448 178.509 176.094 -0.055 0.000 1.047 99 V CA 1.941 64.210 62.300 -0.053 0.000 1.015 99 V CB -0.843 30.880 31.823 -0.166 0.000 0.642 99 V HN 0.589 nan 8.190 nan 0.000 0.446 100 W N 0.551 121.924 121.300 0.121 0.000 2.318 100 W HA -0.281 4.379 4.660 -0.000 0.000 0.313 100 W C 2.591 179.188 176.519 0.130 0.000 1.221 100 W CA 1.841 59.275 57.345 0.148 0.000 1.266 100 W CB -0.684 28.912 29.460 0.226 0.000 1.150 100 W HN 0.337 nan 8.180 nan 0.000 0.496 101 N N 0.659 119.543 118.700 0.307 0.000 2.205 101 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 101 N C 1.331 176.929 175.510 0.147 0.000 1.015 101 N CA 1.864 55.031 53.050 0.195 0.000 0.862 101 N CB -0.439 38.116 38.487 0.114 0.000 0.986 101 N HN 0.159 nan 8.380 nan 0.000 0.429 102 I N -0.794 119.843 120.570 0.113 0.000 2.163 102 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 102 I C 2.071 178.245 176.117 0.095 0.000 1.081 102 I CA 0.712 62.057 61.300 0.074 0.000 1.353 102 I CB -0.472 37.547 38.000 0.032 0.000 1.054 102 I HN 0.023 nan 8.210 nan 0.000 0.407 103 V N 1.250 121.233 119.914 0.114 0.000 2.250 103 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 103 V C 1.364 177.590 176.094 0.220 0.000 1.060 103 V CA 1.891 64.283 62.300 0.153 0.000 1.030 103 V CB -0.871 31.075 31.823 0.204 0.000 0.643 103 V HN 0.484 nan 8.190 nan 0.000 0.445 104 N N 0.667 119.545 118.700 0.296 0.000 2.810 104 N HA -0.044 4.696 4.740 -0.000 0.000 0.217 104 N C 0.303 175.876 175.510 0.105 0.000 1.647 104 N CA 0.374 53.563 53.050 0.232 0.000 0.945 104 N CB -1.224 37.382 38.487 0.198 0.000 1.316 104 N HN 0.537 nan 8.380 nan 0.000 0.512 105 I N -0.189 120.364 120.570 -0.029 0.000 2.831 105 I HA -0.316 3.854 4.170 -0.000 0.000 0.126 105 I C -1.096 174.829 176.117 -0.319 0.000 0.894 105 I CA -0.571 60.677 61.300 -0.087 0.000 2.782 105 I CB -0.528 37.511 38.000 0.065 0.000 0.649 105 I HN 0.083 nan 8.210 nan 0.000 0.351 106 P HA -0.278 nan 4.420 nan 0.000 0.216 106 P C 1.488 178.472 177.300 -0.527 0.000 1.151 106 P CA 2.069 64.756 63.100 -0.689 0.000 0.953 106 P CB -0.025 31.037 31.700 -1.063 0.000 0.789 107 F N -1.615 118.383 119.950 0.080 0.000 2.079 107 F HA -0.246 4.281 4.527 -0.000 0.000 0.296 107 F C 2.514 178.361 175.800 0.078 0.000 1.084 107 F CA 1.149 59.191 58.000 0.070 0.000 1.236 107 F CB -2.077 36.955 39.000 0.053 0.000 0.984 107 F HN -0.087 nan 8.300 nan 0.000 0.488 108 L N -0.518 120.778 121.223 0.123 0.000 1.976 108 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 108 L C 2.856 179.794 176.870 0.114 0.000 1.071 108 L CA 1.610 56.513 54.840 0.105 0.000 0.746 108 L CB -0.471 41.638 42.059 0.084 0.000 0.890 108 L HN 0.104 nan 8.230 nan 0.000 0.432 109 R N -0.467 120.124 120.500 0.152 0.000 2.091 109 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 109 R C 2.274 178.756 176.300 0.304 0.000 1.136 109 R CA 1.996 58.309 56.100 0.355 0.000 0.959 109 R CB -0.139 30.359 30.300 0.330 0.000 0.856 109 R HN 0.299 nan 8.270 nan 0.000 0.437 110 S N 1.290 117.083 115.700 0.154 0.000 2.368 110 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 110 S C 1.830 176.514 174.600 0.139 0.000 1.030 110 S CA 1.338 59.614 58.200 0.127 0.000 0.999 110 S CB -0.379 62.873 63.200 0.088 0.000 0.844 110 S HN 0.452 nan 8.310 nan 0.000 0.459 111 L N 1.732 123.034 121.223 0.132 0.000 2.046 111 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 111 L C 1.881 178.828 176.870 0.129 0.000 1.077 111 L CA 1.639 56.549 54.840 0.117 0.000 0.747 111 L CB -0.618 41.498 42.059 0.094 0.000 0.896 111 L HN 0.129 nan 8.230 nan 0.000 0.432 112 I N -0.405 120.226 120.570 0.102 0.000 2.142 112 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 112 I C 2.585 178.811 176.117 0.182 0.000 1.078 112 I CA 1.802 63.127 61.300 0.042 0.000 1.343 112 I CB -1.179 36.622 38.000 -0.331 0.000 1.046 112 I HN 0.445 nan 8.210 nan 0.000 0.405 113 M N 1.299 121.090 119.600 0.318 0.000 2.108 113 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 113 M C 2.253 178.665 176.300 0.186 0.000 1.066 113 M CA 1.830 57.336 55.300 0.343 0.000 1.107 113 M CB -0.696 32.097 32.600 0.322 0.000 1.356 113 M HN 0.104 nan 8.290 nan 0.000 0.406 114 K N -1.516 118.976 120.400 0.153 0.000 2.074 114 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 114 K C 2.120 178.804 176.600 0.140 0.000 1.048 114 K CA 1.989 58.340 56.287 0.107 0.000 0.926 114 K CB -0.586 31.980 32.500 0.110 0.000 0.713 114 K HN 0.490 nan 8.250 nan 0.000 0.444 115 Y N 1.040 121.381 120.300 0.069 0.000 2.293 115 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 115 Y C 1.833 177.789 175.900 0.093 0.000 1.137 115 Y CA 1.257 59.399 58.100 0.070 0.000 1.202 115 Y CB -0.198 38.289 38.460 0.045 0.000 0.990 115 Y HN 0.035 nan 8.280 nan 0.000 0.537 116 V N -1.858 118.018 119.914 -0.064 0.000 2.427 116 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 116 V C 2.031 178.081 176.094 -0.074 0.000 1.051 116 V CA 1.554 63.790 62.300 -0.107 0.000 1.048 116 V CB -0.942 30.944 31.823 0.105 0.000 0.666 116 V HN 0.294 nan 8.190 nan 0.000 0.456 117 L N 2.125 123.340 121.223 -0.013 0.000 1.994 117 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 117 L C 3.077 179.965 176.870 0.029 0.000 1.071 117 L CA 2.885 57.723 54.840 -0.003 0.000 0.745 117 L CB -2.014 40.010 42.059 -0.058 0.000 0.892 117 L HN 0.734 nan 8.230 nan 0.000 0.431 118 T N -2.791 111.778 114.554 0.025 0.000 2.674 118 T HA -0.191 4.159 4.350 -0.000 0.000 0.265 118 T C 2.097 176.864 174.700 0.111 0.000 1.039 118 T CA 1.834 63.993 62.100 0.098 0.000 1.150 118 T CB -0.939 67.993 68.868 0.107 0.000 0.864 118 T HN 0.399 nan 8.240 nan 0.000 0.427 119 S N 2.085 117.766 115.700 -0.030 0.000 2.353 119 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 119 S C 2.249 176.852 174.600 0.005 0.000 1.035 119 S CA 0.983 59.219 58.200 0.060 0.000 1.025 119 S CB -0.566 62.465 63.200 -0.282 0.000 0.902 119 S HN 0.331 nan 8.310 nan 0.000 0.440 120 R N 1.798 122.259 120.500 -0.065 0.000 2.088 120 R HA 0.069 4.409 4.340 -0.000 0.000 0.232 120 R C 2.866 179.125 176.300 -0.070 0.000 1.136 120 R CA 1.909 57.970 56.100 -0.065 0.000 0.926 120 R CB -1.428 28.863 30.300 -0.014 0.000 0.837 120 R HN 0.544 nan 8.270 nan 0.000 0.429 121 S N 0.104 115.819 115.700 0.025 0.000 2.374 121 S HA -0.231 4.238 4.470 -0.000 0.000 0.227 121 S C 1.681 176.287 174.600 0.009 0.000 1.037 121 S CA 1.563 59.798 58.200 0.058 0.000 1.024 121 S CB -0.639 62.702 63.200 0.235 0.000 0.861 121 S HN 0.565 nan 8.310 nan 0.000 0.456 122 Y N 1.635 121.928 120.300 -0.011 0.000 2.651 122 Y HA 0.009 4.559 4.550 -0.000 0.000 0.293 122 Y C 1.485 177.341 175.900 -0.073 0.000 1.151 122 Y CA 0.378 58.458 58.100 -0.033 0.000 1.362 122 Y CB -0.391 38.061 38.460 -0.014 0.000 0.973 122 Y HN 0.132 nan 8.280 nan 0.000 0.561 123 L N 0.431 121.343 121.223 -0.517 0.000 2.446 123 L HA 0.135 4.475 4.340 -0.000 0.000 0.219 123 L C 0.266 176.909 176.870 -0.379 0.000 1.116 123 L CA 0.467 54.945 54.840 -0.603 0.000 0.844 123 L CB -0.604 41.127 42.059 -0.546 0.000 0.970 123 L HN 0.189 nan 8.230 nan 0.000 0.457 124 I N -0.639 119.809 120.570 -0.203 0.000 2.566 124 I HA 0.169 4.339 4.170 -0.000 0.000 0.303 124 I C 0.035 176.122 176.117 -0.051 0.000 0.983 124 I CA -0.491 60.753 61.300 -0.093 0.000 1.235 124 I CB 0.733 38.727 38.000 -0.010 0.000 1.386 124 I HN -0.165 nan 8.210 nan 0.000 0.494 125 D N 3.295 123.692 120.400 -0.005 0.000 2.316 125 D HA 0.376 5.016 4.640 -0.000 0.000 0.245 125 D C -0.715 175.578 176.300 -0.012 0.000 1.171 125 D CA 0.207 54.206 54.000 -0.002 0.000 0.856 125 D CB 1.151 41.967 40.800 0.025 0.000 1.090 125 D HN 0.318 nan 8.370 nan 0.000 0.476 126 S N 2.333 118.010 115.700 -0.038 0.000 2.776 126 S HA 0.430 4.900 4.470 -0.000 0.000 0.284 126 S C -2.476 172.099 174.600 -0.042 0.000 1.160 126 S CA -1.126 57.042 58.200 -0.053 0.000 1.051 126 S CB 1.323 64.452 63.200 -0.118 0.000 1.037 126 S HN 0.158 nan 8.310 nan 0.000 0.485 127 P HA 0.232 nan 4.420 nan 0.000 0.270 127 P C -2.476 174.840 177.300 0.027 0.000 1.223 127 P CA -0.916 62.210 63.100 0.043 0.000 0.785 127 P CB -0.014 31.754 31.700 0.113 0.000 0.923 128 P HA 0.083 nan 4.420 nan 0.000 0.272 128 P C -0.798 176.487 177.300 -0.024 0.000 1.240 128 P CA 0.142 63.241 63.100 -0.002 0.000 0.791 128 P CB 0.524 32.191 31.700 -0.056 0.000 0.978 129 T N -2.333 112.180 114.554 -0.068 0.000 2.923 129 T HA 0.551 4.901 4.350 -0.000 0.000 0.311 129 T C -1.137 173.473 174.700 -0.150 0.000 1.183 129 T CA -0.624 61.319 62.100 -0.263 0.000 1.020 129 T CB 0.388 68.994 68.868 -0.438 0.000 1.165 129 T HN 0.412 nan 8.240 nan 0.000 0.482 130 Y N -0.032 120.269 120.300 0.001 0.000 2.511 130 Y HA 0.007 4.557 4.550 -0.000 0.000 0.022 130 Y C 0.247 176.120 175.900 -0.044 0.000 1.706 130 Y CA 0.803 58.898 58.100 -0.009 0.000 1.416 130 Y CB -1.064 37.391 38.460 -0.008 0.000 2.062 130 Y HN 1.457 nan 8.280 nan 0.000 0.255 131 N N -3.029 115.747 118.700 0.125 0.000 3.308 131 N HA 0.490 5.230 4.740 -0.000 0.000 0.276 131 N C -0.073 175.425 175.510 -0.019 0.000 1.533 131 N CA -0.368 52.688 53.050 0.011 0.000 0.878 131 N CB 0.374 38.770 38.487 -0.152 0.000 1.566 131 N HN 0.404 nan 8.380 nan 0.000 0.546 132 V N 0.262 120.138 119.914 -0.064 0.000 2.257 132 V HA -0.346 3.774 4.120 -0.000 0.000 0.257 132 V C 1.855 177.862 176.094 -0.145 0.000 1.077 132 V CA 2.468 64.669 62.300 -0.165 0.000 1.063 132 V CB -1.165 30.410 31.823 -0.413 0.000 0.664 132 V HN 0.711 nan 8.190 nan 0.000 0.450 133 H N -2.680 116.398 119.070 0.014 0.000 2.497 133 H HA 0.153 4.709 4.556 -0.000 0.000 0.282 133 H C 0.243 175.233 175.328 -0.563 0.000 1.003 133 H CA 0.237 56.160 56.048 -0.209 0.000 1.307 133 H CB -0.061 29.610 29.762 -0.152 0.000 1.437 133 H HN 0.485 nan 8.280 nan 0.000 0.544 134 Y N 0.583 120.833 120.300 -0.084 0.000 2.434 134 Y HA 0.347 4.897 4.550 -0.000 0.000 0.341 134 Y C 1.504 177.325 175.900 -0.131 0.000 0.965 134 Y CA -0.529 57.414 58.100 -0.262 0.000 1.205 134 Y CB 1.471 39.770 38.460 -0.268 0.000 1.121 134 Y HN 0.072 nan 8.280 nan 0.000 0.507 135 G N 2.712 111.386 108.800 -0.209 0.000 2.813 135 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.209 135 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.209 135 G C -0.186 174.907 174.900 0.321 0.000 1.150 135 G CA 0.337 45.432 45.100 -0.008 0.000 0.785 135 G HN 0.573 nan 8.290 nan 0.000 0.535 136 Y N -3.229 117.330 120.300 0.433 0.000 2.602 136 Y HA 0.763 5.313 4.550 -0.000 0.000 0.342 136 Y C 1.065 177.025 175.900 0.099 0.000 1.029 136 Y CA -2.421 55.879 58.100 0.333 0.000 1.080 136 Y CB 0.938 39.525 38.460 0.211 0.000 1.284 136 Y HN -0.213 nan 8.280 nan 0.000 0.485 137 K N 1.408 121.879 120.400 0.117 0.000 2.034 137 K HA -0.109 4.211 4.320 -0.000 0.000 0.214 137 K C 0.283 176.890 176.600 0.012 0.000 1.051 137 K CA 1.855 58.074 56.287 -0.113 0.000 0.931 137 K CB -0.482 31.942 32.500 -0.127 0.000 0.715 137 K HN 0.981 nan 8.250 nan 0.000 0.446 138 S N -1.062 114.738 115.700 0.167 0.000 3.661 138 S HA -0.247 4.223 4.470 -0.000 0.000 0.856 138 S C 0.702 175.305 174.600 0.005 0.000 1.259 138 S CA 0.728 58.985 58.200 0.096 0.000 0.753 138 S CB -0.808 62.439 63.200 0.079 0.000 0.736 138 S HN 0.502 nan 8.310 nan 0.000 0.290 139 W N 3.385 124.647 121.300 -0.062 0.000 2.392 139 W HA -0.097 4.563 4.660 -0.000 0.000 0.279 139 W C 1.789 178.313 176.519 0.008 0.000 1.225 139 W CA 1.685 59.038 57.345 0.013 0.000 1.233 139 W CB -0.344 29.118 29.460 0.004 0.000 1.122 139 W HN 1.073 nan 8.180 nan 0.000 0.561 140 E N 0.906 121.037 120.200 -0.115 0.000 2.028 140 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 140 E C 2.280 178.613 176.600 -0.445 0.000 0.984 140 E CA 2.338 58.585 56.400 -0.256 0.000 0.800 140 E CB -0.837 28.648 29.700 -0.358 0.000 0.758 140 E HN 0.016 nan 8.360 nan 0.000 0.448 141 A N 0.046 122.477 122.820 -0.649 0.000 1.948 141 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 141 A C 2.219 179.570 177.584 -0.389 0.000 1.177 141 A CA 1.686 53.403 52.037 -0.533 0.000 0.636 141 A CB -1.011 17.775 19.000 -0.356 0.000 0.815 141 A HN 0.528 nan 8.150 nan 0.000 0.449 142 F N 1.605 121.269 119.950 -0.477 0.000 2.149 142 F HA -0.095 4.432 4.527 -0.000 0.000 0.294 142 F C 2.519 178.006 175.800 -0.522 0.000 1.095 142 F CA 2.048 59.743 58.000 -0.509 0.000 1.276 142 F CB -0.319 38.283 39.000 -0.664 0.000 1.023 142 F HN 0.261 nan 8.300 nan 0.000 0.480 143 S N -0.842 114.266 115.700 -0.986 0.000 2.470 143 S HA 0.036 4.506 4.470 -0.000 0.000 0.222 143 S C 0.996 175.331 174.600 -0.442 0.000 1.024 143 S CA 0.004 57.675 58.200 -0.882 0.000 0.931 143 S CB -0.810 62.063 63.200 -0.546 0.000 0.791 143 S HN 0.358 nan 8.310 nan 0.000 0.513 144 N N 2.563 121.107 118.700 -0.261 0.000 2.454 144 N HA 0.122 4.861 4.740 -0.000 0.000 0.285 144 N C 0.606 176.130 175.510 0.023 0.000 1.233 144 N CA -0.064 52.981 53.050 -0.008 0.000 1.036 144 N CB -0.432 38.209 38.487 0.257 0.000 1.423 144 N HN 0.460 nan 8.380 nan 0.000 0.495 145 L N 1.039 122.205 121.223 -0.095 0.000 2.551 145 L HA -0.142 4.198 4.340 -0.000 0.000 0.230 145 L C 1.537 178.459 176.870 0.086 0.000 1.163 145 L CA 0.600 55.369 54.840 -0.119 0.000 0.826 145 L CB -0.228 41.727 42.059 -0.173 0.000 0.943 145 L HN 0.363 nan 8.230 nan 0.000 0.452 146 S N -1.778 114.016 115.700 0.156 0.000 2.603 146 S HA 0.052 4.522 4.470 -0.000 0.000 0.220 146 S C 0.109 174.850 174.600 0.236 0.000 0.967 146 S CA 0.170 58.452 58.200 0.138 0.000 0.920 146 S CB -0.150 63.080 63.200 0.051 0.000 0.773 146 S HN 0.231 nan 8.310 nan 0.000 0.529 147 Y N -0.310 120.052 120.300 0.104 0.000 2.496 147 Y HA 0.477 5.027 4.550 -0.000 0.000 0.331 147 Y C -0.197 175.677 175.900 -0.042 0.000 1.140 147 Y CA -1.415 56.668 58.100 -0.029 0.000 1.166 147 Y CB 0.588 39.016 38.460 -0.055 0.000 1.249 147 Y HN -0.002 nan 8.280 nan 0.000 0.479 148 Y N 0.469 120.859 120.300 0.149 0.000 2.304 148 Y HA 0.220 4.770 4.550 -0.000 0.000 0.328 148 Y C 0.880 176.835 175.900 0.091 0.000 1.123 148 Y CA -0.379 57.788 58.100 0.111 0.000 1.218 148 Y CB 1.256 39.741 38.460 0.041 0.000 1.207 148 Y HN 0.549 nan 8.280 nan 0.000 0.495 149 T N 2.571 117.275 114.554 0.249 0.000 2.726 149 T HA 0.394 4.744 4.350 -0.000 0.000 0.294 149 T C -0.515 174.262 174.700 0.129 0.000 1.013 149 T CA -0.407 61.769 62.100 0.128 0.000 0.996 149 T CB 0.420 69.337 68.868 0.082 0.000 1.016 149 T HN 0.626 nan 8.240 nan 0.000 0.529 150 R N 0.829 121.405 120.500 0.126 0.000 2.502 150 R HA 0.658 4.998 4.340 -0.000 0.000 0.300 150 R C 0.724 177.142 176.300 0.197 0.000 0.984 150 R CA 0.076 56.247 56.100 0.118 0.000 0.882 150 R CB 0.889 31.221 30.300 0.053 0.000 1.180 150 R HN 0.694 nan 8.270 nan 0.000 0.444 151 A N 4.746 127.728 122.820 0.271 0.000 1.933 151 A HA 0.076 4.395 4.320 -0.000 0.000 0.218 151 A C 0.340 178.034 177.584 0.183 0.000 1.175 151 A CA 1.036 53.280 52.037 0.345 0.000 0.628 151 A CB -0.151 19.234 19.000 0.642 0.000 0.814 151 A HN 0.504 nan 8.150 nan 0.000 0.444 152 L N 0.488 121.773 121.223 0.105 0.000 2.385 152 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 152 L C -2.416 174.299 176.870 -0.259 0.000 0.990 152 L CA -2.576 52.156 54.840 -0.180 0.000 0.821 152 L CB 2.470 44.271 42.059 -0.429 0.000 1.279 152 L HN 0.042 nan 8.230 nan 0.000 0.412 153 P HA 0.076 nan 4.420 nan 0.000 0.270 153 P C -2.649 174.491 177.300 -0.266 0.000 1.221 153 P CA -0.783 62.027 63.100 -0.484 0.000 0.788 153 P CB -0.279 30.964 31.700 -0.762 0.000 0.904 154 P HA 0.086 nan 4.420 nan 0.000 0.302 154 P C -0.435 176.806 177.300 -0.098 0.000 1.301 154 P CA -0.120 62.911 63.100 -0.114 0.000 0.745 154 P CB 0.451 32.107 31.700 -0.073 0.000 1.331 155 V N -0.234 119.653 119.914 -0.044 0.000 2.435 155 V HA 0.402 4.522 4.120 -0.000 0.000 0.290 155 V C 0.509 176.592 176.094 -0.018 0.000 1.030 155 V CA -0.912 61.368 62.300 -0.033 0.000 0.881 155 V CB 0.854 32.676 31.823 -0.002 0.000 0.983 155 V HN 0.710 nan 8.190 nan 0.000 0.445 156 A N 3.168 125.976 122.820 -0.020 0.000 2.580 156 A HA 0.025 4.345 4.320 -0.000 0.000 0.244 156 A C 0.971 178.561 177.584 0.011 0.000 1.045 156 A CA 0.032 52.067 52.037 -0.004 0.000 0.761 156 A CB -0.281 18.722 19.000 0.006 0.000 0.962 156 A HN 0.937 nan 8.150 nan 0.000 0.512 157 D N 0.861 121.270 120.400 0.015 0.000 2.389 157 D HA -0.092 4.548 4.640 -0.000 0.000 0.221 157 D C 0.655 176.973 176.300 0.031 0.000 0.974 157 D CA 1.800 55.815 54.000 0.026 0.000 0.923 157 D CB 0.200 41.017 40.800 0.027 0.000 0.892 157 D HN 0.748 nan 8.370 nan 0.000 0.518 158 D N -0.156 120.263 120.400 0.032 0.000 3.035 158 D HA 0.044 4.684 4.640 -0.000 0.000 0.290 158 D C -0.650 175.671 176.300 0.036 0.000 1.360 158 D CA -0.445 53.578 54.000 0.038 0.000 0.862 158 D CB -0.649 40.181 40.800 0.049 0.000 1.078 158 D HN -0.038 nan 8.370 nan 0.000 0.487 159 c N 1.952 120.569 118.600 0.029 0.000 2.355 159 c HA 0.357 4.927 4.570 -0.000 0.000 0.332 159 c C -0.371 173.736 174.090 0.028 0.000 1.255 159 c CA -1.186 55.157 56.329 0.025 0.000 1.792 159 c CB 2.030 44.549 42.510 0.015 0.000 2.300 159 c HN 0.293 nan 8.230 nan 0.000 0.515 160 P HA -0.132 nan 4.420 nan 0.000 0.215 160 P C 0.447 177.765 177.300 0.031 0.000 1.163 160 P CA 1.957 65.074 63.100 0.029 0.000 0.894 160 P CB -0.198 31.518 31.700 0.027 0.000 0.791 161 T N -6.175 108.398 114.554 0.032 0.000 2.885 161 T HA 0.438 4.788 4.350 -0.000 0.000 0.285 161 T C -2.259 172.467 174.700 0.043 0.000 1.019 161 T CA -2.346 59.778 62.100 0.039 0.000 1.010 161 T CB 2.116 71.009 68.868 0.043 0.000 1.022 161 T HN -0.252 nan 8.240 nan 0.000 0.466 162 P HA -0.101 nan 4.420 nan 0.000 0.218 162 P C 1.186 178.525 177.300 0.066 0.000 1.154 162 P CA 1.271 64.409 63.100 0.064 0.000 0.872 162 P CB -0.002 31.745 31.700 0.078 0.000 0.790 163 M N -1.590 118.050 119.600 0.067 0.000 2.652 163 M HA 0.251 4.731 4.480 -0.000 0.000 0.226 163 M C 1.361 177.674 176.300 0.023 0.000 1.244 163 M CA 0.532 55.865 55.300 0.056 0.000 0.986 163 M CB -1.106 31.534 32.600 0.066 0.000 1.666 163 M HN 0.119 nan 8.290 nan 0.000 0.460 164 G N 0.222 109.033 108.800 0.018 0.000 4.492 164 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 164 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 164 G C 0.484 175.388 174.900 0.007 0.000 1.702 164 G CA 0.243 45.342 45.100 -0.001 0.000 1.266 164 G HN 0.280 nan 8.290 nan 0.000 0.643 165 V N 1.646 121.562 119.914 0.004 0.000 3.137 165 V HA 0.414 4.534 4.120 -0.000 0.000 0.236 165 V C 1.096 177.203 176.094 0.022 0.000 1.260 165 V CA 1.667 63.974 62.300 0.011 0.000 1.244 165 V CB 0.047 31.871 31.823 0.002 0.000 1.016 165 V HN 0.472 nan 8.190 nan 0.000 0.477 166 K N 1.052 121.465 120.400 0.022 0.000 2.319 166 K HA 0.478 4.798 4.320 -0.000 0.000 0.265 166 K C 0.434 177.067 176.600 0.055 0.000 1.000 166 K CA 0.937 57.245 56.287 0.036 0.000 0.943 166 K CB 0.424 32.944 32.500 0.032 0.000 0.950 166 K HN 0.647 nan 8.250 nan 0.000 0.485 167 G N 1.462 110.302 108.800 0.066 0.000 2.728 167 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.294 167 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.294 167 G C -0.780 174.158 174.900 0.063 0.000 1.342 167 G CA -0.863 44.286 45.100 0.083 0.000 0.866 167 G HN 0.671 nan 8.290 nan 0.000 0.534 168 N N -0.295 118.443 118.700 0.063 0.000 2.434 168 N HA 0.261 5.000 4.740 -0.000 0.000 0.266 168 N C 1.220 176.754 175.510 0.041 0.000 1.223 168 N CA -0.473 52.602 53.050 0.042 0.000 0.972 168 N CB 1.059 39.564 38.487 0.030 0.000 1.207 168 N HN 0.483 nan 8.380 nan 0.000 0.525 169 K N 0.650 121.068 120.400 0.030 0.000 2.444 169 K HA -0.093 4.227 4.320 -0.000 0.000 0.200 169 K C -0.373 176.246 176.600 0.031 0.000 1.045 169 K CA 1.390 57.694 56.287 0.029 0.000 0.934 169 K CB -0.073 32.441 32.500 0.022 0.000 0.756 169 K HN 0.506 nan 8.250 nan 0.000 0.477 170 E N -1.688 118.531 120.200 0.031 0.000 2.407 170 E HA 0.263 4.613 4.350 -0.000 0.000 0.279 170 E C -1.460 175.159 176.600 0.032 0.000 1.012 170 E CA -0.706 55.712 56.400 0.031 0.000 0.800 170 E CB 1.192 30.902 29.700 0.017 0.000 1.276 170 E HN -0.226 nan 8.360 nan 0.000 0.452 171 L N 2.374 123.623 121.223 0.043 0.000 2.421 171 L HA 0.464 4.804 4.340 -0.000 0.000 0.263 171 L C -1.865 174.975 176.870 -0.050 0.000 1.122 171 L CA -1.909 52.957 54.840 0.042 0.000 0.804 171 L CB -0.548 41.588 42.059 0.129 0.000 1.150 171 L HN 0.505 nan 8.230 nan 0.000 0.457 172 P HA -0.059 nan 4.420 nan 0.000 0.264 172 P C -0.597 176.628 177.300 -0.125 0.000 1.179 172 P CA -0.283 62.674 63.100 -0.238 0.000 0.763 172 P CB 0.310 31.697 31.700 -0.523 0.000 0.806 173 D N 1.848 122.194 120.400 -0.090 0.000 2.531 173 D HA -0.071 4.569 4.640 -0.000 0.000 0.239 173 D C 1.213 177.491 176.300 -0.036 0.000 1.144 173 D CA 0.375 54.347 54.000 -0.048 0.000 0.869 173 D CB 0.586 41.361 40.800 -0.041 0.000 1.160 173 D HN 0.253 nan 8.370 nan 0.000 0.484 174 S N 3.757 119.453 115.700 -0.006 0.000 2.368 174 S HA -0.363 4.107 4.470 -0.000 0.000 0.226 174 S C 1.772 176.381 174.600 0.015 0.000 1.044 174 S CA 1.353 59.564 58.200 0.020 0.000 1.062 174 S CB -0.519 62.695 63.200 0.023 0.000 0.931 174 S HN 0.577 nan 8.310 nan 0.000 0.440 175 K N 1.668 122.070 120.400 0.002 0.000 2.113 175 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 175 K C 2.094 178.689 176.600 -0.007 0.000 1.047 175 K CA 1.985 58.271 56.287 -0.001 0.000 0.928 175 K CB -0.606 31.890 32.500 -0.007 0.000 0.716 175 K HN 0.661 nan 8.250 nan 0.000 0.446 176 E N -0.921 119.267 120.200 -0.019 0.000 2.107 176 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 176 E C 1.664 178.250 176.600 -0.023 0.000 0.982 176 E CA 1.126 57.507 56.400 -0.031 0.000 0.809 176 E CB 0.220 29.886 29.700 -0.056 0.000 0.756 176 E HN 0.153 nan 8.360 nan 0.000 0.459 177 V N 1.609 121.518 119.914 -0.008 0.000 2.407 177 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 177 V C 2.361 178.477 176.094 0.035 0.000 1.041 177 V CA 0.977 63.295 62.300 0.030 0.000 1.040 177 V CB -0.559 31.322 31.823 0.095 0.000 0.671 177 V HN 0.389 nan 8.190 nan 0.000 0.455 178 L N 0.535 121.779 121.223 0.035 0.000 1.978 178 L HA -0.270 4.070 4.340 -0.000 0.000 0.218 178 L C 2.581 179.460 176.870 0.015 0.000 1.075 178 L CA 2.533 57.393 54.840 0.034 0.000 0.767 178 L CB -0.476 41.604 42.059 0.034 0.000 0.890 178 L HN 0.461 nan 8.230 nan 0.000 0.434 179 E N -0.423 119.780 120.200 0.005 0.000 2.028 179 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 179 E C 2.161 178.756 176.600 -0.008 0.000 0.984 179 E CA 1.085 57.482 56.400 -0.004 0.000 0.800 179 E CB -0.047 29.647 29.700 -0.009 0.000 0.758 179 E HN 0.460 nan 8.360 nan 0.000 0.448 180 K N 0.387 120.782 120.400 -0.009 0.000 2.063 180 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 180 K C 2.047 178.642 176.600 -0.007 0.000 1.048 180 K CA 1.918 58.198 56.287 -0.012 0.000 0.928 180 K CB 0.095 32.584 32.500 -0.019 0.000 0.713 180 K HN 0.164 nan 8.250 nan 0.000 0.442 181 V N -3.250 116.665 119.914 0.003 0.000 3.485 181 V HA 0.137 4.257 4.120 -0.000 0.000 0.280 181 V C 1.424 177.510 176.094 -0.014 0.000 1.495 181 V CA -0.057 62.242 62.300 -0.001 0.000 1.018 181 V CB -0.114 31.721 31.823 0.019 0.000 0.818 181 V HN 0.070 nan 8.190 nan 0.000 0.436 182 L N -0.004 121.212 121.223 -0.010 0.000 2.262 182 L HA 0.360 4.700 4.340 -0.000 0.000 0.197 182 L C 1.077 177.941 176.870 -0.011 0.000 1.073 182 L CA 0.390 55.218 54.840 -0.020 0.000 0.800 182 L CB -0.024 42.026 42.059 -0.014 0.000 0.987 182 L HN 0.183 nan 8.230 nan 0.000 0.470 183 L N 1.256 122.477 121.223 -0.003 0.000 2.529 183 L HA -0.068 4.272 4.340 -0.000 0.000 0.287 183 L C 0.778 177.641 176.870 -0.012 0.000 1.241 183 L CA 0.339 55.176 54.840 -0.005 0.000 0.857 183 L CB 0.031 42.085 42.059 -0.008 0.000 1.113 183 L HN 0.241 nan 8.230 nan 0.000 0.504 184 R N 2.526 123.021 120.500 -0.009 0.000 2.404 184 R HA 0.301 4.641 4.340 -0.000 0.000 0.291 184 R C 0.240 176.537 176.300 -0.005 0.000 1.025 184 R CA -0.603 55.492 56.100 -0.008 0.000 0.991 184 R CB 0.943 31.252 30.300 0.014 0.000 1.053 184 R HN 0.631 nan 8.270 nan 0.000 0.479 185 R N 2.080 122.575 120.500 -0.007 0.000 2.207 185 R HA 0.219 4.559 4.340 -0.000 0.000 0.180 185 R C -0.001 176.306 176.300 0.011 0.000 1.445 185 R CA 0.093 56.191 56.100 -0.003 0.000 1.217 185 R CB -0.389 29.904 30.300 -0.012 0.000 1.135 185 R HN 0.569 nan 8.270 nan 0.000 0.481 186 E N 1.696 121.898 120.200 0.004 0.000 2.227 186 E HA 0.146 4.496 4.350 -0.000 0.000 0.282 186 E C -1.079 175.540 176.600 0.032 0.000 1.015 186 E CA -0.697 55.717 56.400 0.023 0.000 0.823 186 E CB 1.129 30.828 29.700 -0.003 0.000 1.081 186 E HN -0.047 nan 8.360 nan 0.000 0.396 187 F N 5.116 125.042 119.950 -0.040 0.000 2.533 187 F HA 0.139 4.666 4.527 -0.000 0.000 0.378 187 F C -0.171 175.601 175.800 -0.047 0.000 1.070 187 F CA -0.068 57.905 58.000 -0.044 0.000 1.172 187 F CB 0.050 39.021 39.000 -0.048 0.000 1.085 187 F HN 0.293 nan 8.300 nan 0.000 0.552 188 I N 9.491 129.622 120.570 -0.732 0.000 2.325 188 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 188 I C -1.972 173.496 176.117 -1.081 0.000 1.019 188 I CA -2.006 58.919 61.300 -0.625 0.000 1.302 188 I CB 1.048 38.824 38.000 -0.374 0.000 1.401 188 I HN 0.470 nan 8.210 nan 0.000 0.485 189 P HA 0.109 nan 4.420 nan 0.000 0.278 189 P C -1.072 176.046 177.300 -0.304 0.000 1.266 189 P CA -0.424 62.392 63.100 -0.474 0.000 0.807 189 P CB 1.076 32.757 31.700 -0.032 0.000 1.094 190 D N 1.293 121.570 120.400 -0.205 0.000 2.348 190 D HA 0.095 4.735 4.640 -0.000 0.000 0.253 190 D C -1.243 174.941 176.300 -0.193 0.000 1.161 190 D CA -2.172 51.687 54.000 -0.235 0.000 0.876 190 D CB 0.397 41.043 40.800 -0.257 0.000 1.160 190 D HN 0.163 nan 8.370 nan 0.000 0.459 191 P HA -0.104 nan 4.420 nan 0.000 0.234 191 P C 0.566 177.762 177.300 -0.174 0.000 1.167 191 P CA 0.851 63.852 63.100 -0.164 0.000 0.763 191 P CB 0.373 31.977 31.700 -0.159 0.000 0.835 192 Q N -1.279 118.381 119.800 -0.232 0.000 2.384 192 Q HA 0.224 4.564 4.340 -0.000 0.000 0.207 192 Q C 1.204 177.103 176.000 -0.168 0.000 0.904 192 Q CA 0.634 56.280 55.803 -0.262 0.000 0.933 192 Q CB 0.193 28.672 28.738 -0.431 0.000 1.077 192 Q HN 0.281 nan 8.270 nan 0.000 0.522 193 G N 0.860 109.591 108.800 -0.115 0.000 2.176 193 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 193 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 193 G C 0.053 174.941 174.900 -0.019 0.000 0.986 193 G CA 0.071 45.153 45.100 -0.031 0.000 0.643 193 G HN 0.231 nan 8.290 nan 0.000 0.522 194 S N 1.961 117.593 115.700 -0.114 0.000 2.670 194 S HA 0.314 4.784 4.470 -0.000 0.000 0.308 194 S C 1.024 175.556 174.600 -0.114 0.000 1.232 194 S CA 0.567 58.601 58.200 -0.277 0.000 1.126 194 S CB 0.279 63.097 63.200 -0.636 0.000 0.897 194 S HN 0.905 nan 8.310 nan 0.000 0.508 195 N N 3.239 121.927 118.700 -0.020 0.000 2.452 195 N HA 0.278 5.018 4.740 -0.000 0.000 0.296 195 N C 0.835 176.400 175.510 0.092 0.000 1.304 195 N CA -0.636 52.450 53.050 0.059 0.000 0.956 195 N CB -0.014 38.537 38.487 0.106 0.000 1.106 195 N HN 0.261 nan 8.380 nan 0.000 0.555 196 M N -0.887 118.753 119.600 0.066 0.000 2.447 196 M HA 0.140 4.620 4.480 -0.000 0.000 0.264 196 M C 1.474 177.880 176.300 0.178 0.000 1.095 196 M CA 0.734 55.980 55.300 -0.090 0.000 1.125 196 M CB -0.975 31.288 32.600 -0.561 0.000 1.389 196 M HN 0.464 nan 8.290 nan 0.000 0.459 197 M N -0.552 119.279 119.600 0.385 0.000 2.117 197 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 197 M C 2.246 179.000 176.300 0.757 0.000 1.065 197 M CA 1.599 57.264 55.300 0.608 0.000 1.114 197 M CB -1.355 31.549 32.600 0.506 0.000 1.361 197 M HN 0.225 nan 8.290 nan 0.000 0.408 198 F N 1.122 121.313 119.950 0.402 0.000 2.060 198 F HA -0.059 4.468 4.527 -0.000 0.000 0.295 198 F C 2.383 178.268 175.800 0.143 0.000 1.120 198 F CA 1.749 59.797 58.000 0.080 0.000 1.205 198 F CB -0.796 38.113 39.000 -0.152 0.000 0.986 198 F HN 0.120 nan 8.300 nan 0.000 0.470 199 A N 0.321 123.443 122.820 0.504 0.000 1.903 199 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 199 A C 2.105 179.733 177.584 0.074 0.000 1.191 199 A CA 2.269 54.444 52.037 0.231 0.000 0.638 199 A CB -1.667 17.315 19.000 -0.030 0.000 0.823 199 A HN 0.479 nan 8.150 nan 0.000 0.451 200 F N -2.064 118.017 119.950 0.219 0.000 2.367 200 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 200 F C 1.876 177.786 175.800 0.182 0.000 1.094 200 F CA 0.372 58.500 58.000 0.213 0.000 1.409 200 F CB -0.743 38.415 39.000 0.263 0.000 1.064 200 F HN 0.339 nan 8.300 nan 0.000 0.528 201 F N 0.783 120.839 119.950 0.176 0.000 2.146 201 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 201 F C 2.338 178.061 175.800 -0.129 0.000 1.096 201 F CA 1.318 59.115 58.000 -0.338 0.000 1.275 201 F CB -0.600 38.214 39.000 -0.309 0.000 1.008 201 F HN -0.093 nan 8.300 nan 0.000 0.480 202 A N -0.368 122.569 122.820 0.196 0.000 1.969 202 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 202 A C 2.225 179.811 177.584 0.004 0.000 1.169 202 A CA 1.650 53.819 52.037 0.219 0.000 0.635 202 A CB -0.891 18.209 19.000 0.166 0.000 0.810 202 A HN 0.600 nan 8.150 nan 0.000 0.445 203 Q N -1.369 118.420 119.800 -0.017 0.000 2.046 203 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 203 Q C 1.999 177.765 176.000 -0.389 0.000 0.975 203 Q CA 1.815 57.484 55.803 -0.223 0.000 0.836 203 Q CB -0.227 28.465 28.738 -0.078 0.000 0.896 203 Q HN 0.865 nan 8.270 nan 0.000 0.428 204 H N -0.284 118.569 119.070 -0.360 0.000 2.256 204 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 204 H C 1.693 176.917 175.328 -0.173 0.000 1.071 204 H CA 2.246 58.069 56.048 -0.375 0.000 1.280 204 H CB -0.705 28.804 29.762 -0.422 0.000 1.370 204 H HN 0.326 nan 8.280 nan 0.000 0.490 205 F N 1.339 121.027 119.950 -0.437 0.000 2.043 205 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 205 F C 2.684 177.962 175.800 -0.870 0.000 1.118 205 F CA 2.846 60.490 58.000 -0.594 0.000 1.202 205 F CB -1.265 37.410 39.000 -0.542 0.000 0.965 205 F HN 0.400 nan 8.300 nan 0.000 0.482 206 T N -2.813 111.021 114.554 -1.201 0.000 2.962 206 T HA -0.196 4.154 4.350 -0.000 0.000 0.270 206 T C 1.539 175.413 174.700 -1.377 0.000 1.088 206 T CA 1.551 62.538 62.100 -1.855 0.000 1.127 206 T CB -0.967 67.204 68.868 -1.163 0.000 0.883 206 T HN 0.433 nan 8.240 nan 0.000 0.493 207 H N 1.816 120.389 119.070 -0.829 0.000 2.567 207 H HA 0.099 4.655 4.556 -0.000 0.000 0.276 207 H C 2.370 177.377 175.328 -0.534 0.000 1.016 207 H CA 0.973 56.757 56.048 -0.441 0.000 1.186 207 H CB -0.258 29.530 29.762 0.044 0.000 1.351 207 H HN 0.792 nan 8.280 nan 0.000 0.605 208 Q N -0.382 118.905 119.800 -0.856 0.000 2.297 208 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 208 Q C 1.008 176.673 176.000 -0.557 0.000 0.931 208 Q CA 0.792 56.152 55.803 -0.739 0.000 0.885 208 Q CB -0.190 27.922 28.738 -1.043 0.000 0.991 208 Q HN 0.479 nan 8.270 nan 0.000 0.498 209 F N -0.779 118.750 119.950 -0.702 0.000 2.530 209 F HA 0.394 4.920 4.527 -0.000 0.000 0.292 209 F C 0.164 175.535 175.800 -0.715 0.000 1.109 209 F CA -0.853 56.699 58.000 -0.748 0.000 1.450 209 F CB -0.127 38.344 39.000 -0.881 0.000 1.114 209 F HN -0.204 nan 8.300 nan 0.000 0.560 210 F N 2.268 121.989 119.950 -0.382 0.000 2.391 210 F HA 0.532 5.059 4.527 -0.000 0.000 0.359 210 F C 0.328 175.923 175.800 -0.342 0.000 1.122 210 F CA -1.214 56.615 58.000 -0.284 0.000 1.120 210 F CB 1.165 39.873 39.000 -0.487 0.000 1.142 210 F HN -0.114 nan 8.300 nan 0.000 0.483 211 K N 1.391 121.781 120.400 -0.016 0.000 3.307 211 K HA 0.111 4.431 4.320 -0.000 0.000 0.188 211 K C -0.416 176.112 176.600 -0.121 0.000 1.063 211 K CA -0.261 55.944 56.287 -0.137 0.000 0.949 211 K CB 0.869 33.250 32.500 -0.198 0.000 0.707 211 K HN 0.511 nan 8.250 nan 0.000 0.441 212 T N 1.983 116.513 114.554 -0.040 0.000 2.657 212 T HA -0.171 4.179 4.350 -0.000 0.000 0.245 212 T C 0.112 174.571 174.700 -0.402 0.000 1.021 212 T CA 0.903 62.908 62.100 -0.159 0.000 1.155 212 T CB -0.024 68.678 68.868 -0.277 0.000 1.022 212 T HN 0.207 nan 8.240 nan 0.000 0.477 213 D N 2.078 122.339 120.400 -0.231 0.000 2.494 213 D HA 0.108 4.748 4.640 -0.000 0.000 0.217 213 D C 0.926 177.161 176.300 -0.107 0.000 1.153 213 D CA -0.371 53.530 54.000 -0.165 0.000 0.954 213 D CB 0.041 40.777 40.800 -0.107 0.000 1.034 213 D HN 0.639 nan 8.370 nan 0.000 0.518 214 H N 1.140 120.230 119.070 0.032 0.000 2.561 214 H HA -0.041 4.514 4.556 -0.000 0.000 0.278 214 H C 1.324 176.662 175.328 0.016 0.000 1.014 214 H CA 0.616 56.686 56.048 0.037 0.000 1.211 214 H CB 0.606 30.384 29.762 0.027 0.000 1.365 214 H HN 0.128 nan 8.280 nan 0.000 0.594 215 K N 0.327 120.768 120.400 0.068 0.000 2.062 215 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 215 K C 2.040 178.628 176.600 -0.021 0.000 1.051 215 K CA 0.986 57.280 56.287 0.011 0.000 0.941 215 K CB 0.165 32.643 32.500 -0.037 0.000 0.719 215 K HN 0.088 nan 8.250 nan 0.000 0.440 216 R N -1.128 119.335 120.500 -0.063 0.000 2.156 216 R HA 0.266 4.606 4.340 -0.000 0.000 0.207 216 R C 0.173 176.553 176.300 0.134 0.000 1.040 216 R CA 0.774 56.787 56.100 -0.145 0.000 1.013 216 R CB 0.747 30.675 30.300 -0.620 0.000 0.931 216 R HN 0.319 nan 8.270 nan 0.000 0.465 217 G N -0.323 108.618 108.800 0.235 0.000 2.357 217 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.643 217 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.643 217 G C -2.942 172.111 174.900 0.255 0.000 1.358 217 G CA -1.099 44.163 45.100 0.270 0.000 0.986 217 G HN -0.100 nan 8.290 nan 0.000 0.620 218 P HA 0.401 nan 4.420 nan 0.000 0.269 218 P C 1.093 178.422 177.300 0.048 0.000 1.209 218 P CA 1.746 64.921 63.100 0.126 0.000 0.776 218 P CB 1.129 32.880 31.700 0.084 0.000 0.876 219 G N 0.925 109.792 108.800 0.112 0.000 2.213 219 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.226 219 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.226 219 G C -0.388 174.389 174.900 -0.204 0.000 0.992 219 G CA -0.487 44.606 45.100 -0.012 0.000 0.632 219 G HN 0.416 nan 8.290 nan 0.000 0.511 220 F N 1.519 121.489 119.950 0.034 0.000 2.444 220 F HA 0.731 5.258 4.527 -0.000 0.000 0.342 220 F C 0.585 176.172 175.800 -0.355 0.000 1.121 220 F CA -0.300 57.575 58.000 -0.209 0.000 0.997 220 F CB 2.228 41.087 39.000 -0.235 0.000 1.130 220 F HN 0.030 nan 8.300 nan 0.000 0.454 221 T N 2.196 116.471 114.554 -0.466 0.000 2.945 221 T HA 0.435 4.785 4.350 -0.000 0.000 0.286 221 T C 0.839 175.345 174.700 -0.323 0.000 1.025 221 T CA -0.498 61.189 62.100 -0.688 0.000 1.039 221 T CB 1.021 69.123 68.868 -1.277 0.000 1.068 221 T HN 0.753 nan 8.240 nan 0.000 0.497 222 R N 1.271 121.607 120.500 -0.273 0.000 2.397 222 R HA 0.263 4.603 4.340 -0.000 0.000 0.241 222 R C 0.930 177.116 176.300 -0.191 0.000 0.914 222 R CA -0.168 55.817 56.100 -0.191 0.000 1.071 222 R CB 0.722 30.926 30.300 -0.161 0.000 1.116 222 R HN 0.632 nan 8.270 nan 0.000 0.524 223 G N 0.824 109.469 108.800 -0.257 0.000 3.628 223 G HA2 0.221 4.181 3.960 -0.000 0.000 0.328 223 G HA3 0.221 4.181 3.960 -0.000 0.000 0.328 223 G C 0.574 175.353 174.900 -0.201 0.000 1.200 223 G CA -0.426 44.531 45.100 -0.238 0.000 1.364 223 G HN 0.126 nan 8.290 nan 0.000 0.503 224 L N 1.336 122.521 121.223 -0.063 0.000 2.549 224 L HA 0.035 4.375 4.340 -0.000 0.000 0.229 224 L C 2.559 179.514 176.870 0.142 0.000 1.158 224 L CA 0.893 55.786 54.840 0.088 0.000 0.842 224 L CB 0.210 42.275 42.059 0.008 0.000 0.952 224 L HN 0.511 nan 8.230 nan 0.000 0.452 225 G N -2.516 106.308 108.800 0.041 0.000 2.712 225 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 225 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 225 G C 0.622 175.565 174.900 0.071 0.000 1.142 225 G CA -0.200 44.914 45.100 0.024 0.000 0.789 225 G HN 0.594 nan 8.290 nan 0.000 0.535 226 H N -0.458 118.533 119.070 -0.132 0.000 2.690 226 H HA -0.187 4.369 4.556 -0.000 0.000 0.309 226 H C 1.135 176.340 175.328 -0.205 0.000 1.138 226 H CA 0.745 56.702 56.048 -0.152 0.000 1.142 226 H CB -1.263 28.416 29.762 -0.139 0.000 1.410 226 H HN 0.714 nan 8.280 nan 0.000 0.409 227 G N -1.469 107.236 108.800 -0.158 0.000 2.364 227 G HA2 0.272 4.232 3.960 -0.000 0.000 0.286 227 G HA3 0.272 4.232 3.960 -0.000 0.000 0.286 227 G C -0.679 174.135 174.900 -0.143 0.000 1.241 227 G CA -0.265 44.677 45.100 -0.264 0.000 0.887 227 G HN 0.121 nan 8.290 nan 0.000 0.484 228 V N 2.360 122.202 119.914 -0.119 0.000 2.149 228 V HA 0.220 4.340 4.120 -0.000 0.000 0.245 228 V C 0.513 176.602 176.094 -0.008 0.000 1.349 228 V CA 0.878 63.171 62.300 -0.011 0.000 1.289 228 V CB -0.113 31.746 31.823 0.060 0.000 1.401 228 V HN 0.735 nan 8.190 nan 0.000 0.501 229 D N 2.402 122.785 120.400 -0.029 0.000 2.398 229 D HA 0.044 4.684 4.640 -0.000 0.000 0.210 229 D C 0.951 177.280 176.300 0.049 0.000 1.094 229 D CA -0.361 53.640 54.000 0.001 0.000 0.839 229 D CB 0.098 40.889 40.800 -0.015 0.000 0.963 229 D HN 0.333 nan 8.370 nan 0.000 0.506 230 L N 0.789 122.026 121.223 0.024 0.000 3.843 230 L HA -0.326 4.014 4.340 -0.000 0.000 0.411 230 L C 0.994 177.997 176.870 0.221 0.000 1.205 230 L CA 0.699 55.631 54.840 0.153 0.000 0.945 230 L CB -2.491 39.691 42.059 0.206 0.000 1.929 230 L HN 0.296 nan 8.230 nan 0.000 0.934 231 N N 0.931 119.671 118.700 0.066 0.000 2.364 231 N HA -0.198 4.542 4.740 -0.000 0.000 0.183 231 N C 1.593 177.105 175.510 0.004 0.000 1.022 231 N CA 1.789 54.858 53.050 0.032 0.000 0.883 231 N CB -0.333 38.119 38.487 -0.058 0.000 0.965 231 N HN 0.794 nan 8.380 nan 0.000 0.438 232 H N -2.351 116.567 119.070 -0.253 0.000 2.556 232 H HA 0.262 4.818 4.556 -0.000 0.000 0.268 232 H C 1.321 176.470 175.328 -0.298 0.000 0.996 232 H CA 0.265 56.088 56.048 -0.375 0.000 1.157 232 H CB 0.074 29.559 29.762 -0.461 0.000 1.355 232 H HN 0.291 nan 8.280 nan 0.000 0.597 233 I N -0.606 119.787 120.570 -0.295 0.000 3.443 233 I HA -0.046 4.124 4.170 -0.000 0.000 0.277 233 I C 0.983 176.801 176.117 -0.498 0.000 1.169 233 I CA -0.068 60.922 61.300 -0.516 0.000 1.419 233 I CB 0.232 37.756 38.000 -0.795 0.000 1.331 233 I HN 0.132 nan 8.210 nan 0.000 0.458 234 Y N 1.484 121.755 120.300 -0.047 0.000 2.500 234 Y HA 0.440 4.990 4.550 -0.000 0.000 0.270 234 Y C 1.153 177.043 175.900 -0.016 0.000 1.134 234 Y CA 0.260 58.363 58.100 0.006 0.000 1.293 234 Y CB 0.022 38.530 38.460 0.080 0.000 1.063 234 Y HN 0.153 nan 8.280 nan 0.000 0.534 235 G N 0.282 109.114 108.800 0.054 0.000 2.617 235 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.686 235 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.686 235 G C -0.194 174.701 174.900 -0.009 0.000 1.214 235 G CA -0.619 44.480 45.100 -0.002 0.000 0.796 235 G HN 0.066 nan 8.290 nan 0.000 0.654 236 E N -0.512 119.657 120.200 -0.050 0.000 2.152 236 E HA 0.165 4.515 4.350 -0.000 0.000 0.192 236 E C 1.862 178.435 176.600 -0.045 0.000 0.983 236 E CA 1.947 58.312 56.400 -0.060 0.000 0.818 236 E CB 0.063 29.712 29.700 -0.084 0.000 0.758 236 E HN 1.074 nan 8.360 nan 0.000 0.467 237 T N -3.027 111.501 114.554 -0.043 0.000 2.901 237 T HA 0.315 4.665 4.350 -0.000 0.000 0.293 237 T C 0.896 175.554 174.700 -0.070 0.000 1.084 237 T CA -0.865 61.207 62.100 -0.047 0.000 1.008 237 T CB 1.105 69.948 68.868 -0.042 0.000 1.170 237 T HN -0.071 nan 8.240 nan 0.000 0.509 238 L N 0.613 121.778 121.223 -0.096 0.000 2.013 238 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 238 L C 2.292 179.034 176.870 -0.212 0.000 1.073 238 L CA 2.870 57.585 54.840 -0.209 0.000 0.753 238 L CB -0.688 41.281 42.059 -0.150 0.000 0.890 238 L HN 1.025 nan 8.230 nan 0.000 0.432 239 D N -0.555 119.810 120.400 -0.059 0.000 2.123 239 D HA -0.287 4.353 4.640 -0.000 0.000 0.196 239 D C 2.266 178.577 176.300 0.019 0.000 0.992 239 D CA 1.664 55.676 54.000 0.020 0.000 0.833 239 D CB 0.006 40.818 40.800 0.021 0.000 0.954 239 D HN 0.182 nan 8.370 nan 0.000 0.455 240 R N -0.192 120.297 120.500 -0.018 0.000 2.062 240 R HA -0.212 4.128 4.340 -0.000 0.000 0.231 240 R C 2.592 178.887 176.300 -0.009 0.000 1.136 240 R CA 1.971 58.065 56.100 -0.009 0.000 0.948 240 R CB -0.397 29.889 30.300 -0.024 0.000 0.845 240 R HN 0.391 nan 8.270 nan 0.000 0.430 241 Q N -0.941 118.828 119.800 -0.051 0.000 2.181 241 Q HA -0.217 4.123 4.340 -0.000 0.000 0.205 241 Q C 1.468 177.431 176.000 -0.063 0.000 0.980 241 Q CA 1.825 57.598 55.803 -0.050 0.000 0.862 241 Q CB -0.342 28.359 28.738 -0.062 0.000 0.905 241 Q HN 0.485 nan 8.270 nan 0.000 0.429 242 H N 0.630 119.694 119.070 -0.011 0.000 2.495 242 H HA 0.076 4.632 4.556 -0.000 0.000 0.287 242 H C 1.389 176.771 175.328 0.090 0.000 1.033 242 H CA 1.307 57.396 56.048 0.069 0.000 1.307 242 H CB 0.231 30.109 29.762 0.193 0.000 1.401 242 H HN 0.422 nan 8.280 nan 0.000 0.555 243 K N 0.046 120.540 120.400 0.156 0.000 2.167 243 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 243 K C 1.900 178.531 176.600 0.052 0.000 1.052 243 K CA 0.429 56.778 56.287 0.103 0.000 0.956 243 K CB 0.234 32.775 32.500 0.069 0.000 0.735 243 K HN 0.156 nan 8.250 nan 0.000 0.451 244 L N 0.706 121.939 121.223 0.017 0.000 2.554 244 L HA 0.022 4.362 4.340 -0.000 0.000 0.226 244 L C 0.757 177.594 176.870 -0.055 0.000 1.137 244 L CA 0.155 54.992 54.840 -0.005 0.000 0.863 244 L CB -0.022 42.037 42.059 0.001 0.000 0.985 244 L HN 0.077 nan 8.230 nan 0.000 0.451 245 R N -0.134 120.267 120.500 -0.164 0.000 2.528 245 R HA 0.140 4.480 4.340 -0.000 0.000 0.271 245 R C 0.715 176.836 176.300 -0.298 0.000 1.056 245 R CA -0.412 55.459 56.100 -0.382 0.000 1.117 245 R CB 1.469 31.195 30.300 -0.957 0.000 1.085 245 R HN -0.073 nan 8.270 nan 0.000 0.530 246 L N 1.448 122.531 121.223 -0.233 0.000 2.408 246 L HA 0.175 4.515 4.340 -0.000 0.000 0.215 246 L C -0.049 176.849 176.870 0.048 0.000 1.081 246 L CA 1.006 55.818 54.840 -0.047 0.000 0.840 246 L CB 0.021 42.103 42.059 0.040 0.000 1.002 246 L HN 0.706 nan 8.230 nan 0.000 0.468 247 F N 0.032 119.996 119.950 0.023 0.000 3.058 247 F HA -0.247 4.280 4.527 -0.000 0.000 0.295 247 F C 0.337 176.158 175.800 0.036 0.000 0.875 247 F CA 0.809 58.811 58.000 0.003 0.000 1.150 247 F CB -1.859 37.114 39.000 -0.044 0.000 1.175 247 F HN 0.151 nan 8.300 nan 0.000 0.599 248 K N 0.477 120.976 120.400 0.165 0.000 2.652 248 K HA 0.305 4.625 4.320 -0.000 0.000 0.249 248 K C -0.090 176.606 176.600 0.159 0.000 0.986 248 K CA -0.677 55.702 56.287 0.153 0.000 0.867 248 K CB 1.178 33.754 32.500 0.126 0.000 1.201 248 K HN 0.160 nan 8.250 nan 0.000 0.450 249 D N 2.335 122.835 120.400 0.166 0.000 2.837 249 D HA -0.204 4.436 4.640 -0.000 0.000 0.230 249 D C 0.643 177.068 176.300 0.208 0.000 1.152 249 D CA 1.521 55.628 54.000 0.179 0.000 0.736 249 D CB -1.002 39.891 40.800 0.155 0.000 1.084 249 D HN 1.103 nan 8.370 nan 0.000 0.429 250 G N -0.131 108.808 108.800 0.231 0.000 2.175 250 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.265 250 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.265 250 G C 0.327 175.504 174.900 0.461 0.000 0.979 250 G CA 1.049 46.349 45.100 0.334 0.000 0.663 250 G HN 0.502 nan 8.290 nan 0.000 0.533 251 K N -0.212 120.385 120.400 0.330 0.000 2.185 251 K HA 0.549 4.868 4.320 -0.000 0.000 0.271 251 K C 0.389 177.187 176.600 0.330 0.000 1.013 251 K CA -0.889 55.633 56.287 0.391 0.000 0.943 251 K CB 1.020 33.702 32.500 0.303 0.000 0.998 251 K HN 0.002 nan 8.250 nan 0.000 0.468 252 L N 2.441 123.888 121.223 0.374 0.000 2.399 252 L HA 0.230 4.570 4.340 -0.000 0.000 0.266 252 L C 0.518 177.513 176.870 0.208 0.000 1.114 252 L CA -0.098 54.852 54.840 0.183 0.000 0.804 252 L CB 0.788 42.907 42.059 0.099 0.000 1.146 252 L HN 0.527 nan 8.230 nan 0.000 0.451 253 K N 1.843 122.302 120.400 0.098 0.000 2.319 253 K HA 0.292 4.612 4.320 -0.000 0.000 0.265 253 K C -1.053 175.648 176.600 0.169 0.000 1.000 253 K CA 0.355 56.682 56.287 0.066 0.000 0.943 253 K CB 0.601 33.101 32.500 0.001 0.000 0.950 253 K HN 0.536 nan 8.250 nan 0.000 0.485 254 Y N -2.225 118.076 120.300 0.002 0.000 2.788 254 Y HA 0.286 4.836 4.550 -0.000 0.000 0.335 254 Y C -1.514 174.380 175.900 -0.009 0.000 1.287 254 Y CA -1.348 56.741 58.100 -0.018 0.000 1.068 254 Y CB 0.922 39.370 38.460 -0.021 0.000 1.340 254 Y HN 0.615 nan 8.280 nan 0.000 0.449 255 Q N 0.376 120.291 119.800 0.191 0.000 2.553 255 Q HA 0.836 5.176 4.340 -0.000 0.000 0.293 255 Q C -2.219 173.926 176.000 0.242 0.000 1.038 255 Q CA -1.336 54.521 55.803 0.090 0.000 0.777 255 Q CB 3.061 31.816 28.738 0.028 0.000 1.487 255 Q HN 0.623 nan 8.270 nan 0.000 0.426 256 V N 2.240 122.255 119.914 0.169 0.000 2.407 256 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 256 V C -0.635 175.544 176.094 0.142 0.000 1.018 256 V CA -0.470 61.943 62.300 0.189 0.000 0.842 256 V CB 1.212 33.132 31.823 0.161 0.000 0.996 256 V HN 0.645 nan 8.190 nan 0.000 0.426 257 I N 4.236 124.927 120.570 0.201 0.000 2.404 257 I HA 0.749 4.919 4.170 -0.000 0.000 0.293 257 I C 1.019 177.215 176.117 0.132 0.000 0.992 257 I CA -0.121 61.230 61.300 0.084 0.000 1.149 257 I CB 1.585 39.515 38.000 -0.116 0.000 1.315 257 I HN 0.825 nan 8.210 nan 0.000 0.446 258 G N 4.394 113.236 108.800 0.069 0.000 2.552 258 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.265 258 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.265 258 G C 0.586 175.531 174.900 0.075 0.000 1.234 258 G CA 0.003 45.144 45.100 0.069 0.000 0.944 258 G HN 1.060 nan 8.290 nan 0.000 0.568 259 G N 0.049 108.887 108.800 0.063 0.000 3.518 259 G HA2 0.498 4.458 3.960 -0.000 0.000 0.273 259 G HA3 0.498 4.458 3.960 -0.000 0.000 0.273 259 G C 0.191 175.117 174.900 0.043 0.000 1.199 259 G CA 0.507 45.636 45.100 0.048 0.000 0.899 259 G HN 0.559 nan 8.290 nan 0.000 0.533 260 E N 0.190 120.443 120.200 0.089 0.000 2.202 260 E HA 0.371 4.721 4.350 -0.000 0.000 0.272 260 E C -0.532 176.078 176.600 0.017 0.000 0.951 260 E CA -0.654 55.764 56.400 0.029 0.000 0.813 260 E CB 2.696 32.463 29.700 0.111 0.000 1.151 260 E HN -0.102 nan 8.360 nan 0.000 0.398 261 V N 3.081 122.868 119.914 -0.211 0.000 2.546 261 V HA 0.260 4.380 4.120 -0.000 0.000 0.284 261 V C -0.739 175.063 176.094 -0.486 0.000 1.050 261 V CA -0.056 62.125 62.300 -0.199 0.000 0.981 261 V CB -0.040 31.588 31.823 -0.325 0.000 0.990 261 V HN 0.533 nan 8.190 nan 0.000 0.474 262 Y N 3.475 123.715 120.300 -0.099 0.000 2.597 262 Y HA 0.450 5.000 4.550 -0.000 0.000 0.340 262 Y C -2.507 173.235 175.900 -0.263 0.000 1.097 262 Y CA -2.412 55.525 58.100 -0.273 0.000 1.037 262 Y CB 2.382 40.591 38.460 -0.419 0.000 1.305 262 Y HN 0.423 nan 8.280 nan 0.000 0.463 263 P HA 0.045 nan 4.420 nan 0.000 0.269 263 P C -2.529 174.681 177.300 -0.150 0.000 1.209 263 P CA -0.738 62.273 63.100 -0.148 0.000 0.776 263 P CB 0.121 31.739 31.700 -0.135 0.000 0.876 264 P HA 0.028 nan 4.420 nan 0.000 0.274 264 P C -0.272 177.074 177.300 0.078 0.000 1.246 264 P CA 0.035 63.144 63.100 0.015 0.000 0.795 264 P CB 0.245 31.956 31.700 0.018 0.000 1.006 265 T N -2.480 112.129 114.554 0.093 0.000 2.816 265 T HA 0.162 4.512 4.350 -0.000 0.000 0.282 265 T C 1.463 176.219 174.700 0.094 0.000 0.993 265 T CA -0.635 61.544 62.100 0.133 0.000 0.994 265 T CB 0.037 68.956 68.868 0.086 0.000 1.025 265 T HN 0.092 nan 8.240 nan 0.000 0.529 266 V N 1.295 121.264 119.914 0.091 0.000 2.427 266 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 266 V C 2.823 178.939 176.094 0.038 0.000 1.051 266 V CA 1.963 64.306 62.300 0.073 0.000 1.048 266 V CB -0.878 30.991 31.823 0.078 0.000 0.666 266 V HN 1.021 nan 8.190 nan 0.000 0.456 267 K N -0.221 120.190 120.400 0.019 0.000 2.209 267 K HA -0.241 4.079 4.320 -0.000 0.000 0.204 267 K C 1.880 178.487 176.600 0.011 0.000 1.048 267 K CA 1.802 58.093 56.287 0.007 0.000 0.940 267 K CB -0.151 32.344 32.500 -0.008 0.000 0.729 267 K HN 0.579 nan 8.250 nan 0.000 0.451 268 D N -0.362 120.049 120.400 0.019 0.000 2.255 268 D HA -0.102 4.537 4.640 -0.000 0.000 0.224 268 D C 1.733 178.046 176.300 0.020 0.000 0.997 268 D CA 1.951 55.960 54.000 0.014 0.000 0.906 268 D CB -0.075 40.731 40.800 0.010 0.000 1.047 268 D HN 0.327 nan 8.370 nan 0.000 0.458 269 T N -1.779 112.792 114.554 0.029 0.000 2.881 269 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 269 T C 1.447 176.168 174.700 0.036 0.000 1.068 269 T CA 1.774 63.894 62.100 0.034 0.000 1.131 269 T CB -0.116 68.775 68.868 0.039 0.000 0.871 269 T HN 0.264 nan 8.240 nan 0.000 0.479 270 Q N -0.357 119.463 119.800 0.033 0.000 2.385 270 Q HA -0.158 4.182 4.340 -0.000 0.000 0.215 270 Q C 0.093 176.112 176.000 0.031 0.000 0.671 270 Q CA 0.712 56.533 55.803 0.029 0.000 1.335 270 Q CB -2.437 26.316 28.738 0.024 0.000 1.425 270 Q HN 0.984 nan 8.270 nan 0.000 0.781 271 V N -0.380 119.557 119.914 0.038 0.000 2.715 271 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 271 V C 0.462 176.578 176.094 0.036 0.000 1.054 271 V CA -0.116 62.204 62.300 0.033 0.000 1.077 271 V CB 1.731 33.572 31.823 0.031 0.000 0.972 271 V HN 0.246 nan 8.190 nan 0.000 0.484 272 E N 5.744 125.956 120.200 0.019 0.000 2.217 272 E HA 0.250 4.599 4.350 -0.000 0.000 0.279 272 E C -0.855 175.752 176.600 0.012 0.000 1.068 272 E CA -0.277 56.133 56.400 0.017 0.000 0.882 272 E CB 0.835 30.536 29.700 0.000 0.000 1.039 272 E HN 0.740 nan 8.360 nan 0.000 0.418 273 M N 4.198 123.824 119.600 0.043 0.000 2.662 273 M HA 0.449 4.929 4.480 -0.000 0.000 0.310 273 M C 0.017 176.304 176.300 -0.022 0.000 1.204 273 M CA -1.040 54.265 55.300 0.009 0.000 0.891 273 M CB 1.589 34.259 32.600 0.117 0.000 1.732 273 M HN 0.390 nan 8.290 nan 0.000 0.467 274 I N 2.119 122.598 120.570 -0.151 0.000 2.297 274 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 274 I C -1.420 174.526 176.117 -0.284 0.000 1.033 274 I CA -0.283 60.931 61.300 -0.143 0.000 1.253 274 I CB 0.256 38.187 38.000 -0.115 0.000 1.396 274 I HN 0.464 nan 8.210 nan 0.000 0.476 275 Y N 6.003 126.238 120.300 -0.109 0.000 2.504 275 Y HA 0.391 4.941 4.550 -0.000 0.000 0.344 275 Y C -2.352 173.384 175.900 -0.273 0.000 1.023 275 Y CA -2.438 55.549 58.100 -0.187 0.000 1.020 275 Y CB 1.913 40.272 38.460 -0.167 0.000 1.282 275 Y HN 0.411 nan 8.280 nan 0.000 0.454 276 P HA 0.111 nan 4.420 nan 0.000 0.271 276 P C -1.892 175.203 177.300 -0.341 0.000 1.226 276 P CA -1.024 61.850 63.100 -0.377 0.000 0.765 276 P CB 0.628 31.904 31.700 -0.707 0.000 0.835 277 P HA -0.294 nan 4.420 nan 0.000 0.219 277 P C 1.270 178.517 177.300 -0.088 0.000 1.153 277 P CA 1.836 64.885 63.100 -0.084 0.000 0.865 277 P CB -0.470 31.225 31.700 -0.009 0.000 0.788 278 H N -0.811 118.232 119.070 -0.044 0.000 2.518 278 H HA 0.037 4.593 4.556 -0.000 0.000 0.289 278 H C 0.971 176.274 175.328 -0.043 0.000 1.051 278 H CA 0.022 56.053 56.048 -0.029 0.000 1.280 278 H CB -1.115 28.646 29.762 -0.001 0.000 1.380 278 H HN 0.158 nan 8.280 nan 0.000 0.566 279 I N 5.154 125.455 120.570 -0.448 0.000 2.581 279 I HA -0.031 4.139 4.170 -0.000 0.000 0.285 279 I C -1.079 174.902 176.117 -0.227 0.000 1.129 279 I CA -1.167 59.928 61.300 -0.342 0.000 1.397 279 I CB 0.803 38.538 38.000 -0.440 0.000 1.399 279 I HN 0.078 nan 8.210 nan 0.000 0.537 280 P HA -0.132 nan 4.420 nan 0.000 0.280 280 P C 0.425 177.640 177.300 -0.142 0.000 1.359 280 P CA 0.644 63.674 63.100 -0.117 0.000 0.744 280 P CB 0.120 31.769 31.700 -0.086 0.000 1.236 281 E N 0.904 120.982 120.200 -0.202 0.000 4.014 281 E HA -0.328 4.022 4.350 -0.000 0.000 0.209 281 E C 0.934 177.421 176.600 -0.188 0.000 1.457 281 E CA 1.346 57.634 56.400 -0.187 0.000 2.314 281 E CB -1.505 28.131 29.700 -0.106 0.000 2.109 281 E HN 0.374 nan 8.360 nan 0.000 0.486 282 N N -0.372 118.262 118.700 -0.110 0.000 2.656 282 N HA -0.301 4.439 4.740 -0.000 0.000 0.244 282 N C 0.522 175.984 175.510 -0.080 0.000 1.151 282 N CA 2.392 55.405 53.050 -0.061 0.000 0.865 282 N CB -0.988 37.465 38.487 -0.057 0.000 1.177 282 N HN 0.380 nan 8.380 nan 0.000 0.586 283 L N -1.182 119.871 121.223 -0.283 0.000 3.515 283 L HA 0.201 4.541 4.340 -0.000 0.000 0.322 283 L C 0.071 176.350 176.870 -0.986 0.000 1.225 283 L CA -0.235 54.214 54.840 -0.651 0.000 1.104 283 L CB 0.432 42.189 42.059 -0.504 0.000 1.506 283 L HN 0.053 nan 8.230 nan 0.000 0.624 284 Q N 1.485 120.861 119.800 -0.706 0.000 2.472 284 Q HA 0.263 4.603 4.340 -0.000 0.000 0.227 284 Q C -0.902 175.030 176.000 -0.113 0.000 1.156 284 Q CA -0.310 54.896 55.803 -0.995 0.000 0.924 284 Q CB 0.399 28.708 28.738 -0.715 0.000 1.354 284 Q HN 0.016 nan 8.270 nan 0.000 0.525 285 F N 0.359 120.351 119.950 0.071 0.000 2.450 285 F HA 0.156 4.683 4.527 -0.000 0.000 0.339 285 F C 1.165 177.094 175.800 0.214 0.000 1.146 285 F CA -0.691 57.404 58.000 0.159 0.000 1.267 285 F CB 0.435 39.537 39.000 0.169 0.000 1.178 285 F HN 0.489 nan 8.300 nan 0.000 0.585 286 A N 2.161 125.169 122.820 0.313 0.000 1.844 286 A HA 0.227 4.547 4.320 -0.000 0.000 0.212 286 A C 1.951 179.612 177.584 0.128 0.000 1.221 286 A CA 2.408 54.554 52.037 0.182 0.000 0.607 286 A CB -0.966 18.100 19.000 0.111 0.000 0.878 286 A HN 1.430 nan 8.150 nan 0.000 0.451 287 V N -3.753 116.220 119.914 0.099 0.000 0.540 287 V HA -0.365 3.755 4.120 -0.000 0.000 0.092 287 V C 1.967 178.040 176.094 -0.035 0.000 2.123 287 V CA 2.676 65.007 62.300 0.052 0.000 3.520 287 V CB -1.721 30.183 31.823 0.135 0.000 0.812 287 V HN 2.344 nan 8.190 nan 0.000 0.847 288 G N -1.122 107.636 108.800 -0.070 0.000 3.876 288 G HA2 0.033 3.993 3.960 -0.000 0.000 0.203 288 G HA3 0.033 3.993 3.960 -0.000 0.000 0.203 288 G C -0.048 174.723 174.900 -0.215 0.000 1.162 288 G CA 0.387 45.409 45.100 -0.130 0.000 0.903 288 G HN 1.115 nan 8.290 nan 0.000 0.390 289 Q N 1.551 121.114 119.800 -0.395 0.000 2.278 289 Q HA 0.404 4.744 4.340 -0.000 0.000 0.257 289 Q C 1.071 176.830 176.000 -0.402 0.000 0.928 289 Q CA 0.074 55.515 55.803 -0.603 0.000 0.932 289 Q CB 1.633 29.452 28.738 -1.532 0.000 1.221 289 Q HN 0.752 nan 8.270 nan 0.000 0.434 290 E N 1.872 121.918 120.200 -0.257 0.000 2.515 290 E HA -0.061 4.289 4.350 -0.000 0.000 0.201 290 E C 0.862 177.371 176.600 -0.151 0.000 1.071 290 E CA 0.322 56.626 56.400 -0.160 0.000 0.880 290 E CB 0.165 29.800 29.700 -0.109 0.000 0.828 290 E HN 0.222 nan 8.360 nan 0.000 0.540 291 V N -0.196 119.634 119.914 -0.139 0.000 3.477 291 V HA 0.087 4.207 4.120 -0.000 0.000 0.297 291 V C 0.087 176.292 176.094 0.186 0.000 1.433 291 V CA -0.203 62.095 62.300 -0.004 0.000 1.052 291 V CB -0.151 31.725 31.823 0.088 0.000 0.895 291 V HN 0.240 nan 8.190 nan 0.000 0.438 292 F N 1.078 120.984 119.950 -0.073 0.000 2.802 292 F HA 0.266 4.793 4.527 -0.000 0.000 0.302 292 F C 1.934 177.679 175.800 -0.091 0.000 1.211 292 F CA 0.507 58.483 58.000 -0.039 0.000 1.431 292 F CB -1.035 37.983 39.000 0.031 0.000 1.114 292 F HN 0.281 nan 8.300 nan 0.000 0.567 293 G N -1.022 107.720 108.800 -0.097 0.000 3.126 293 G HA2 0.121 4.081 3.960 -0.000 0.000 0.224 293 G HA3 0.121 4.081 3.960 -0.000 0.000 0.224 293 G C 1.397 176.201 174.900 -0.159 0.000 1.142 293 G CA -0.057 44.867 45.100 -0.293 0.000 0.759 293 G HN 0.329 nan 8.290 nan 0.000 0.550 294 L N 0.467 121.643 121.223 -0.078 0.000 2.591 294 L HA 0.296 4.636 4.340 -0.000 0.000 0.228 294 L C -0.215 176.652 176.870 -0.005 0.000 1.133 294 L CA 0.203 55.098 54.840 0.092 0.000 0.880 294 L CB 0.642 42.785 42.059 0.141 0.000 1.033 294 L HN -0.086 nan 8.230 nan 0.000 0.450 295 V N -0.688 119.149 119.914 -0.128 0.000 2.624 295 V HA 0.177 4.297 4.120 -0.000 0.000 0.294 295 V C -1.900 173.925 176.094 -0.449 0.000 1.077 295 V CA -0.720 61.391 62.300 -0.316 0.000 0.905 295 V CB 2.182 33.904 31.823 -0.168 0.000 1.025 295 V HN -0.149 nan 8.190 nan 0.000 0.440 296 P HA -0.120 nan 4.420 nan 0.000 0.220 296 P C 1.580 178.654 177.300 -0.378 0.000 1.144 296 P CA 1.620 64.413 63.100 -0.510 0.000 0.800 296 P CB 0.338 31.640 31.700 -0.665 0.000 0.772 297 G N -0.851 107.537 108.800 -0.686 0.000 2.422 297 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 297 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 297 G C 1.295 175.840 174.900 -0.590 0.000 1.140 297 G CA 0.428 44.852 45.100 -1.126 0.000 0.775 297 G HN 0.140 nan 8.290 nan 0.000 0.545 298 L N -0.175 120.751 121.223 -0.494 0.000 2.023 298 L HA 0.211 4.551 4.340 -0.000 0.000 0.205 298 L C 2.715 179.435 176.870 -0.250 0.000 1.073 298 L CA 1.350 55.952 54.840 -0.398 0.000 0.745 298 L CB -1.047 40.662 42.059 -0.584 0.000 0.900 298 L HN 0.199 nan 8.230 nan 0.000 0.435 299 M N -1.188 118.318 119.600 -0.157 0.000 2.267 299 M HA -0.239 4.241 4.480 -0.000 0.000 0.263 299 M C 2.153 178.397 176.300 -0.094 0.000 1.063 299 M CA 1.496 56.790 55.300 -0.010 0.000 1.090 299 M CB -0.469 32.182 32.600 0.085 0.000 1.392 299 M HN 0.250 nan 8.290 nan 0.000 0.422 300 M N -1.648 117.816 119.600 -0.227 0.000 2.067 300 M HA -0.256 4.224 4.480 -0.000 0.000 0.260 300 M C 1.641 177.758 176.300 -0.305 0.000 1.069 300 M CA 1.907 57.002 55.300 -0.341 0.000 1.117 300 M CB -0.360 32.020 32.600 -0.367 0.000 1.334 300 M HN 0.259 nan 8.290 nan 0.000 0.407 301 Y N 0.180 120.302 120.300 -0.296 0.000 2.314 301 Y HA -0.005 4.545 4.550 -0.000 0.000 0.293 301 Y C 2.589 178.285 175.900 -0.340 0.000 1.129 301 Y CA 1.272 59.117 58.100 -0.426 0.000 1.201 301 Y CB -0.904 37.086 38.460 -0.784 0.000 0.999 301 Y HN 0.377 nan 8.280 nan 0.000 0.541 302 A N -0.864 121.918 122.820 -0.064 0.000 1.933 302 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 302 A C 2.258 179.885 177.584 0.072 0.000 1.175 302 A CA 2.283 54.421 52.037 0.168 0.000 0.628 302 A CB -1.002 18.148 19.000 0.250 0.000 0.814 302 A HN 0.392 nan 8.150 nan 0.000 0.444 303 T N -0.087 114.443 114.554 -0.039 0.000 2.896 303 T HA 0.058 4.408 4.350 -0.000 0.000 0.263 303 T C 1.770 176.383 174.700 -0.144 0.000 1.050 303 T CA 1.153 63.179 62.100 -0.124 0.000 1.140 303 T CB -0.297 68.435 68.868 -0.227 0.000 0.877 303 T HN 0.414 nan 8.240 nan 0.000 0.457 304 I N -0.553 119.918 120.570 -0.164 0.000 2.286 304 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 304 I C 2.108 178.128 176.117 -0.162 0.000 1.115 304 I CA 1.379 62.548 61.300 -0.217 0.000 1.392 304 I CB -0.250 37.571 38.000 -0.299 0.000 1.065 304 I HN 0.327 nan 8.210 nan 0.000 0.418 305 W N 0.563 121.845 121.300 -0.029 0.000 2.418 305 W HA -0.085 4.575 4.660 -0.000 0.000 0.292 305 W C 2.462 178.964 176.519 -0.028 0.000 1.213 305 W CA 0.435 57.777 57.345 -0.005 0.000 1.283 305 W CB -0.264 29.189 29.460 -0.011 0.000 1.119 305 W HN 0.074 nan 8.180 nan 0.000 0.542 306 L N 0.895 122.203 121.223 0.141 0.000 2.012 306 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 306 L C 2.527 179.424 176.870 0.046 0.000 1.073 306 L CA 1.829 56.702 54.840 0.056 0.000 0.748 306 L CB -0.364 41.690 42.059 -0.010 0.000 0.891 306 L HN -0.049 nan 8.230 nan 0.000 0.431 307 R N -0.417 120.059 120.500 -0.040 0.000 2.083 307 R HA -0.239 4.101 4.340 -0.000 0.000 0.237 307 R C 2.255 178.541 176.300 -0.023 0.000 1.137 307 R CA 1.705 57.745 56.100 -0.099 0.000 0.951 307 R CB -0.370 29.830 30.300 -0.167 0.000 0.851 307 R HN 0.387 nan 8.270 nan 0.000 0.434 308 E N 0.127 120.343 120.200 0.028 0.000 2.058 308 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 308 E C 1.664 178.370 176.600 0.178 0.000 0.997 308 E CA 1.807 58.257 56.400 0.084 0.000 0.801 308 E CB -0.249 29.514 29.700 0.104 0.000 0.746 308 E HN 0.397 nan 8.360 nan 0.000 0.450 309 H N -0.103 119.066 119.070 0.164 0.000 2.287 309 H HA -0.183 4.373 4.556 -0.000 0.000 0.292 309 H C 2.084 177.496 175.328 0.141 0.000 1.068 309 H CA 2.741 58.902 56.048 0.187 0.000 1.192 309 H CB -0.429 29.455 29.762 0.202 0.000 1.360 309 H HN 0.110 nan 8.280 nan 0.000 0.516 310 Q N 0.299 120.205 119.800 0.176 0.000 2.082 310 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 310 Q C 2.533 178.538 176.000 0.008 0.000 1.002 310 Q CA 2.212 58.060 55.803 0.076 0.000 0.868 310 Q CB -0.401 28.342 28.738 0.007 0.000 0.931 310 Q HN 0.401 nan 8.270 nan 0.000 0.414 311 R N -0.484 120.016 120.500 -0.000 0.000 2.119 311 R HA -0.190 4.150 4.340 -0.000 0.000 0.246 311 R C 2.008 178.312 176.300 0.008 0.000 1.146 311 R CA 1.762 57.858 56.100 -0.007 0.000 0.962 311 R CB -0.377 29.916 30.300 -0.012 0.000 0.863 311 R HN 0.243 nan 8.270 nan 0.000 0.442 312 V N -0.135 119.784 119.914 0.010 0.000 2.379 312 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 312 V C 2.559 178.666 176.094 0.021 0.000 1.044 312 V CA 1.649 63.961 62.300 0.021 0.000 1.036 312 V CB -0.358 31.483 31.823 0.030 0.000 0.664 312 V HN 0.522 nan 8.190 nan 0.000 0.453 313 C N 0.164 119.450 119.300 -0.024 0.000 2.393 313 C HA -0.212 4.248 4.460 -0.000 0.000 0.276 313 C C 2.544 177.578 174.990 0.073 0.000 1.215 313 C CA 1.257 60.297 59.018 0.037 0.000 1.743 313 C CB -1.099 26.666 27.740 0.042 0.000 2.044 313 C HN 0.615 nan 8.230 nan 0.000 0.464 314 D N 0.511 120.941 120.400 0.050 0.000 2.149 314 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 314 D C 1.887 178.206 176.300 0.032 0.000 0.990 314 D CA 1.268 55.294 54.000 0.044 0.000 0.839 314 D CB -0.393 40.423 40.800 0.026 0.000 0.948 314 D HN 0.516 nan 8.370 nan 0.000 0.460 315 I N 0.246 120.833 120.570 0.028 0.000 2.252 315 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 315 I C 2.166 178.288 176.117 0.009 0.000 1.102 315 I CA 0.451 61.760 61.300 0.015 0.000 1.385 315 I CB -0.025 37.989 38.000 0.023 0.000 1.064 315 I HN -0.007 nan 8.210 nan 0.000 0.414 316 L N 0.852 122.109 121.223 0.057 0.000 2.156 316 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 316 L C 2.379 179.270 176.870 0.034 0.000 1.095 316 L CA 1.667 56.555 54.840 0.079 0.000 0.770 316 L CB -0.941 41.266 42.059 0.248 0.000 0.914 316 L HN 0.185 nan 8.230 nan 0.000 0.439 317 K N -0.829 119.614 120.400 0.072 0.000 2.103 317 K HA -0.228 4.091 4.320 -0.000 0.000 0.204 317 K C 2.084 178.673 176.600 -0.019 0.000 1.052 317 K CA 1.035 57.364 56.287 0.069 0.000 0.945 317 K CB 0.050 32.605 32.500 0.091 0.000 0.722 317 K HN 0.127 nan 8.250 nan 0.000 0.443 318 Q N 1.063 120.840 119.800 -0.039 0.000 2.291 318 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 318 Q C 1.117 177.024 176.000 -0.156 0.000 0.976 318 Q CA 1.628 57.389 55.803 -0.070 0.000 0.875 318 Q CB 0.171 28.878 28.738 -0.051 0.000 0.927 318 Q HN 0.348 nan 8.270 nan 0.000 0.450 319 E N -1.235 118.808 120.200 -0.262 0.000 2.431 319 E HA 0.059 4.409 4.350 -0.000 0.000 0.200 319 E C -0.177 175.907 176.600 -0.860 0.000 0.995 319 E CA 0.215 56.305 56.400 -0.518 0.000 0.915 319 E CB 0.486 29.840 29.700 -0.578 0.000 0.930 319 E HN 0.471 nan 8.360 nan 0.000 0.496 320 H N -0.333 118.506 119.070 -0.384 0.000 2.488 320 H HA 0.185 4.741 4.556 -0.000 0.000 0.237 320 H C -2.047 173.176 175.328 -0.176 0.000 1.395 320 H CA -1.489 54.259 56.048 -0.499 0.000 1.491 320 H CB 1.386 30.325 29.762 -1.371 0.000 1.567 320 H HN -0.052 nan 8.280 nan 0.000 0.508 321 P HA -0.174 nan 4.420 nan 0.000 0.220 321 P C 0.808 178.169 177.300 0.102 0.000 1.148 321 P CA 1.107 64.231 63.100 0.039 0.000 0.803 321 P CB 0.390 32.094 31.700 0.008 0.000 0.782 322 E N -2.957 117.321 120.200 0.129 0.000 2.442 322 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 322 E C 0.342 177.142 176.600 0.333 0.000 1.030 322 E CA 0.083 56.598 56.400 0.191 0.000 0.869 322 E CB -0.702 29.102 29.700 0.174 0.000 0.857 322 E HN 0.205 nan 8.360 nan 0.000 0.505 323 W N 1.435 122.793 121.300 0.097 0.000 2.129 323 W HA 0.610 5.270 4.660 -0.000 0.000 0.349 323 W C 1.046 177.606 176.519 0.067 0.000 1.279 323 W CA -0.525 56.856 57.345 0.061 0.000 1.306 323 W CB 0.443 29.938 29.460 0.058 0.000 1.140 323 W HN 0.036 nan 8.180 nan 0.000 0.613 324 G N 0.177 109.117 108.800 0.233 0.000 3.013 324 G HA2 0.233 4.193 3.960 -0.000 0.000 0.278 324 G HA3 0.233 4.193 3.960 -0.000 0.000 0.278 324 G C -0.027 174.966 174.900 0.154 0.000 1.353 324 G CA -0.334 44.861 45.100 0.158 0.000 1.043 324 G HN 0.387 nan 8.290 nan 0.000 0.523 325 D N -0.522 119.970 120.400 0.153 0.000 2.212 325 D HA -0.188 4.451 4.640 -0.000 0.000 0.197 325 D C 2.035 178.444 176.300 0.182 0.000 1.004 325 D CA 1.804 55.914 54.000 0.183 0.000 0.864 325 D CB 0.152 41.081 40.800 0.215 0.000 1.027 325 D HN 0.387 nan 8.370 nan 0.000 0.455 326 E N -0.371 119.921 120.200 0.154 0.000 2.233 326 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 326 E C 1.992 178.640 176.600 0.081 0.000 1.004 326 E CA 0.948 57.439 56.400 0.152 0.000 0.819 326 E CB -0.128 29.644 29.700 0.119 0.000 0.738 326 E HN 0.521 nan 8.360 nan 0.000 0.478 327 Q N -0.059 119.703 119.800 -0.064 0.000 2.163 327 Q HA -0.022 4.318 4.340 -0.000 0.000 0.198 327 Q C 2.381 178.244 176.000 -0.229 0.000 0.954 327 Q CA 0.224 55.829 55.803 -0.330 0.000 0.851 327 Q CB 0.168 28.444 28.738 -0.770 0.000 0.928 327 Q HN 0.229 nan 8.270 nan 0.000 0.459 328 L N 0.001 121.261 121.223 0.061 0.000 2.017 328 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 328 L C 2.249 179.239 176.870 0.200 0.000 1.073 328 L CA 1.200 56.195 54.840 0.258 0.000 0.745 328 L CB -0.488 41.754 42.059 0.304 0.000 0.894 328 L HN 0.301 nan 8.230 nan 0.000 0.432 329 F N 0.711 120.710 119.950 0.082 0.000 2.026 329 F HA -0.286 4.241 4.527 -0.000 0.000 0.296 329 F C 2.786 178.623 175.800 0.062 0.000 1.133 329 F CA 1.689 59.760 58.000 0.117 0.000 1.188 329 F CB -0.348 38.714 39.000 0.104 0.000 0.968 329 F HN 0.030 nan 8.300 nan 0.000 0.476 330 Q N -0.037 119.808 119.800 0.076 0.000 2.197 330 Q HA -0.174 4.166 4.340 -0.000 0.000 0.207 330 Q C 2.153 178.092 176.000 -0.101 0.000 0.984 330 Q CA 2.191 57.950 55.803 -0.073 0.000 0.869 330 Q CB -1.122 27.625 28.738 0.015 0.000 0.906 330 Q HN 0.488 nan 8.270 nan 0.000 0.426 331 T N 0.166 114.689 114.554 -0.052 0.000 2.809 331 T HA -0.027 4.323 4.350 -0.000 0.000 0.260 331 T C 2.151 176.919 174.700 0.112 0.000 1.039 331 T CA 1.098 63.238 62.100 0.067 0.000 1.141 331 T CB -0.130 68.838 68.868 0.166 0.000 0.869 331 T HN 0.189 nan 8.240 nan 0.000 0.437 332 S N 1.361 117.076 115.700 0.025 0.000 2.359 332 S HA -0.166 4.303 4.470 -0.000 0.000 0.223 332 S C 1.988 176.602 174.600 0.024 0.000 1.039 332 S CA 1.477 59.662 58.200 -0.026 0.000 1.042 332 S CB -0.345 62.655 63.200 -0.333 0.000 0.915 332 S HN 0.520 nan 8.310 nan 0.000 0.439 333 K N 0.772 121.057 120.400 -0.191 0.000 2.360 333 K HA -0.026 4.294 4.320 -0.000 0.000 0.201 333 K C 1.694 178.288 176.600 -0.009 0.000 1.046 333 K CA 0.836 56.956 56.287 -0.277 0.000 0.940 333 K CB -0.138 31.779 32.500 -0.970 0.000 0.748 333 K HN 0.330 nan 8.250 nan 0.000 0.465 334 L N 0.034 121.324 121.223 0.112 0.000 2.202 334 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 334 L C 2.103 179.208 176.870 0.392 0.000 1.083 334 L CA 0.399 55.431 54.840 0.320 0.000 0.790 334 L CB -0.109 42.209 42.059 0.433 0.000 0.942 334 L HN 0.154 nan 8.230 nan 0.000 0.452 335 I N -0.433 120.325 120.570 0.314 0.000 2.252 335 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 335 I C 2.216 178.450 176.117 0.195 0.000 1.102 335 I CA 0.969 62.380 61.300 0.186 0.000 1.385 335 I CB -0.103 38.008 38.000 0.185 0.000 1.064 335 I HN 0.159 nan 8.210 nan 0.000 0.414 336 L N 0.266 121.632 121.223 0.238 0.000 2.131 336 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 336 L C 2.309 179.270 176.870 0.152 0.000 1.092 336 L CA 1.746 56.746 54.840 0.267 0.000 0.759 336 L CB -0.652 41.591 42.059 0.307 0.000 0.903 336 L HN 0.194 nan 8.230 nan 0.000 0.435 337 I N -1.018 119.645 120.570 0.154 0.000 2.286 337 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 337 I C 2.450 178.650 176.117 0.138 0.000 1.115 337 I CA 1.334 62.709 61.300 0.124 0.000 1.392 337 I CB -0.858 37.237 38.000 0.159 0.000 1.065 337 I HN 0.348 nan 8.210 nan 0.000 0.418 338 G N 0.405 109.321 108.800 0.194 0.000 2.402 338 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 338 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 338 G C 1.494 176.495 174.900 0.168 0.000 1.162 338 G CA 0.438 45.678 45.100 0.234 0.000 0.777 338 G HN 0.391 nan 8.290 nan 0.000 0.539 339 E N -0.028 120.289 120.200 0.196 0.000 2.017 339 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 339 E C 2.788 179.529 176.600 0.236 0.000 0.997 339 E CA 1.501 58.049 56.400 0.247 0.000 0.804 339 E CB -0.418 29.510 29.700 0.380 0.000 0.757 339 E HN 0.269 nan 8.360 nan 0.000 0.448 340 T N 1.853 116.552 114.554 0.242 0.000 2.565 340 T HA -0.238 4.112 4.350 -0.000 0.000 0.265 340 T C 1.975 176.664 174.700 -0.018 0.000 1.082 340 T CA 1.652 63.841 62.100 0.149 0.000 1.173 340 T CB -0.441 68.409 68.868 -0.029 0.000 0.864 340 T HN 0.137 nan 8.240 nan 0.000 0.425 341 I N 0.803 121.289 120.570 -0.139 0.000 2.264 341 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 341 I C 2.552 178.304 176.117 -0.608 0.000 1.111 341 I CA 1.354 62.409 61.300 -0.408 0.000 1.382 341 I CB -0.398 37.235 38.000 -0.612 0.000 1.060 341 I HN 0.196 nan 8.210 nan 0.000 0.418 342 K N 2.013 122.137 120.400 -0.461 0.000 1.985 342 K HA -0.130 4.190 4.320 -0.000 0.000 0.210 342 K C 1.886 178.448 176.600 -0.062 0.000 1.047 342 K CA 1.757 57.923 56.287 -0.202 0.000 0.932 342 K CB -0.478 32.087 32.500 0.109 0.000 0.716 342 K HN 0.212 nan 8.250 nan 0.000 0.439 343 I N 0.447 121.025 120.570 0.014 0.000 2.208 343 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 343 I C 2.024 178.125 176.117 -0.027 0.000 1.097 343 I CA 1.050 62.381 61.300 0.052 0.000 1.363 343 I CB -0.215 37.890 38.000 0.175 0.000 1.051 343 I HN -0.016 nan 8.210 nan 0.000 0.413 344 V N 0.891 120.709 119.914 -0.160 0.000 2.626 344 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 344 V C 2.104 178.155 176.094 -0.070 0.000 1.067 344 V CA 1.560 63.670 62.300 -0.316 0.000 1.081 344 V CB -0.322 31.122 31.823 -0.632 0.000 0.686 344 V HN 0.357 nan 8.190 nan 0.000 0.468 345 I N -0.488 120.049 120.570 -0.055 0.000 2.512 345 I HA -0.051 4.119 4.170 -0.000 0.000 0.247 345 I C 2.266 178.419 176.117 0.060 0.000 1.094 345 I CA 1.016 62.328 61.300 0.022 0.000 1.427 345 I CB -0.227 37.771 38.000 -0.003 0.000 1.149 345 I HN 0.252 nan 8.210 nan 0.000 0.438 346 E N 0.555 120.785 120.200 0.050 0.000 2.435 346 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 346 E C 0.823 177.466 176.600 0.073 0.000 1.029 346 E CA 0.571 56.999 56.400 0.047 0.000 0.865 346 E CB 0.301 30.024 29.700 0.039 0.000 0.833 346 E HN 0.454 nan 8.360 nan 0.000 0.510 347 D N -0.681 119.799 120.400 0.133 0.000 3.105 347 D HA -0.046 4.594 4.640 -0.000 0.000 0.291 347 D C 1.480 178.031 176.300 0.418 0.000 1.218 347 D CA 0.197 54.330 54.000 0.222 0.000 1.029 347 D CB -0.566 40.345 40.800 0.185 0.000 1.207 347 D HN 0.015 nan 8.370 nan 0.000 0.437 348 Y N 2.465 122.877 120.300 0.187 0.000 2.034 348 Y HA -0.250 4.300 4.550 -0.000 0.000 0.269 348 Y C 2.287 178.286 175.900 0.166 0.000 1.125 348 Y CA 1.743 59.807 58.100 -0.059 0.000 1.097 348 Y CB -0.568 37.632 38.460 -0.433 0.000 0.978 348 Y HN -0.240 nan 8.280 nan 0.000 0.480 349 V N 0.690 120.859 119.914 0.425 0.000 2.332 349 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 349 V C 2.345 178.501 176.094 0.104 0.000 1.055 349 V CA 2.186 64.657 62.300 0.285 0.000 1.038 349 V CB -0.904 31.076 31.823 0.261 0.000 0.651 349 V HN 0.529 nan 8.190 nan 0.000 0.450 350 Q N 0.039 119.897 119.800 0.096 0.000 2.014 350 Q HA -0.298 4.042 4.340 -0.000 0.000 0.207 350 Q C 2.340 178.323 176.000 -0.029 0.000 0.993 350 Q CA 2.594 58.400 55.803 0.004 0.000 0.850 350 Q CB -0.628 28.134 28.738 0.041 0.000 0.916 350 Q HN 0.807 nan 8.270 nan 0.000 0.417 351 H N -0.481 118.581 119.070 -0.013 0.000 2.319 351 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 351 H C 1.859 177.102 175.328 -0.141 0.000 1.092 351 H CA 1.786 57.805 56.048 -0.049 0.000 1.302 351 H CB -0.273 29.522 29.762 0.055 0.000 1.373 351 H HN 0.388 nan 8.280 nan 0.000 0.497 352 L N 1.536 122.727 121.223 -0.053 0.000 2.127 352 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 352 L C 3.038 179.754 176.870 -0.257 0.000 1.089 352 L CA 2.018 56.768 54.840 -0.149 0.000 0.757 352 L CB -1.058 41.088 42.059 0.146 0.000 0.899 352 L HN 0.516 nan 8.230 nan 0.000 0.434 353 S N -1.157 114.338 115.700 -0.343 0.000 2.377 353 S HA 0.076 4.546 4.470 -0.000 0.000 0.223 353 S C 1.718 176.014 174.600 -0.507 0.000 1.030 353 S CA 0.661 58.462 58.200 -0.665 0.000 0.970 353 S CB -0.482 61.861 63.200 -1.428 0.000 0.830 353 S HN 0.615 nan 8.310 nan 0.000 0.473 354 G N 0.362 108.924 108.800 -0.396 0.000 2.160 354 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.251 354 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.251 354 G C -0.194 174.578 174.900 -0.213 0.000 1.008 354 G CA 0.446 45.375 45.100 -0.284 0.000 0.724 354 G HN 0.528 nan 8.290 nan 0.000 0.514 355 Y N -0.441 119.676 120.300 -0.305 0.000 2.336 355 Y HA 0.438 4.988 4.550 -0.000 0.000 0.331 355 Y C 1.711 177.374 175.900 -0.395 0.000 1.211 355 Y CA -0.612 57.240 58.100 -0.414 0.000 1.346 355 Y CB 0.432 38.723 38.460 -0.281 0.000 1.271 355 Y HN 0.314 nan 8.280 nan 0.000 0.538 356 H N 0.820 119.758 119.070 -0.221 0.000 2.502 356 H HA -0.026 4.530 4.556 -0.000 0.000 0.283 356 H C 0.074 175.333 175.328 -0.115 0.000 1.015 356 H CA -0.004 55.951 56.048 -0.155 0.000 1.298 356 H CB 0.175 29.885 29.762 -0.087 0.000 1.411 356 H HN 0.384 nan 8.280 nan 0.000 0.556 357 F N 2.796 122.494 119.950 -0.421 0.000 2.495 357 F HA 0.122 4.649 4.527 -0.000 0.000 0.365 357 F C 0.103 175.882 175.800 -0.034 0.000 1.090 357 F CA -0.881 56.969 58.000 -0.249 0.000 1.235 357 F CB 0.432 39.094 39.000 -0.563 0.000 1.119 357 F HN -0.223 nan 8.300 nan 0.000 0.562 358 K N 7.892 127.900 120.400 -0.653 0.000 2.315 358 K HA 0.213 4.532 4.320 -0.000 0.000 0.291 358 K C -0.244 175.772 176.600 -0.973 0.000 1.074 358 K CA -0.232 55.696 56.287 -0.598 0.000 0.936 358 K CB 0.267 32.597 32.500 -0.283 0.000 1.049 358 K HN 0.656 nan 8.250 nan 0.000 0.471 359 L N 3.013 123.896 121.223 -0.567 0.000 2.483 359 L HA 0.076 4.416 4.340 -0.000 0.000 0.276 359 L C 0.450 177.210 176.870 -0.183 0.000 1.213 359 L CA 0.568 55.219 54.840 -0.315 0.000 0.843 359 L CB 0.279 42.293 42.059 -0.074 0.000 1.107 359 L HN 0.523 nan 8.230 nan 0.000 0.487 360 K N 2.188 122.552 120.400 -0.059 0.000 2.422 360 K HA 0.333 4.653 4.320 -0.000 0.000 0.251 360 K C -1.400 175.261 176.600 0.102 0.000 0.933 360 K CA -0.720 55.571 56.287 0.007 0.000 0.798 360 K CB 1.745 34.239 32.500 -0.010 0.000 1.238 360 K HN 0.278 nan 8.250 nan 0.000 0.428 361 F N 4.289 124.204 119.950 -0.059 0.000 2.335 361 F HA 0.351 4.878 4.527 -0.000 0.000 0.365 361 F C -1.067 174.659 175.800 -0.123 0.000 1.122 361 F CA -0.933 57.013 58.000 -0.090 0.000 1.151 361 F CB 0.538 39.499 39.000 -0.066 0.000 1.282 361 F HN 0.467 nan 8.300 nan 0.000 0.513 362 D N 8.160 128.322 120.400 -0.396 0.000 2.330 362 D HA 0.358 4.998 4.640 -0.000 0.000 0.249 362 D C -2.218 173.688 176.300 -0.657 0.000 1.306 362 D CA -2.060 51.621 54.000 -0.533 0.000 0.956 362 D CB 1.931 42.589 40.800 -0.237 0.000 1.261 362 D HN 0.171 nan 8.370 nan 0.000 0.544 363 P HA -0.150 nan 4.420 nan 0.000 0.219 363 P C 0.876 177.502 177.300 -1.124 0.000 1.144 363 P CA 0.989 63.498 63.100 -0.986 0.000 0.806 363 P CB 0.374 31.168 31.700 -1.509 0.000 0.771 364 E N -0.536 118.986 120.200 -1.130 0.000 2.150 364 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 364 E C 1.928 178.146 176.600 -0.637 0.000 0.985 364 E CA 0.763 56.393 56.400 -1.284 0.000 0.814 364 E CB -0.550 28.881 29.700 -0.448 0.000 0.752 364 E HN 0.336 nan 8.360 nan 0.000 0.466 365 L N 0.421 121.410 121.223 -0.389 0.000 2.189 365 L HA -0.198 4.142 4.340 -0.000 0.000 0.214 365 L C 2.099 178.896 176.870 -0.123 0.000 1.097 365 L CA 1.068 55.803 54.840 -0.175 0.000 0.764 365 L CB -0.460 41.523 42.059 -0.126 0.000 0.900 365 L HN 0.176 nan 8.230 nan 0.000 0.436 366 L N -2.137 118.970 121.223 -0.193 0.000 2.640 366 L HA 0.061 4.401 4.340 -0.000 0.000 0.230 366 L C 1.818 178.852 176.870 0.272 0.000 1.123 366 L CA -0.426 54.400 54.840 -0.024 0.000 0.900 366 L CB -0.135 41.786 42.059 -0.230 0.000 1.146 366 L HN 0.042 nan 8.230 nan 0.000 0.484 367 F N 1.643 121.657 119.950 0.107 0.000 2.333 367 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 367 F C 1.984 177.858 175.800 0.125 0.000 1.083 367 F CA 0.682 58.764 58.000 0.137 0.000 1.395 367 F CB -0.638 38.438 39.000 0.127 0.000 1.056 367 F HN 0.405 nan 8.300 nan 0.000 0.529 368 N N -1.079 117.791 118.700 0.283 0.000 2.187 368 N HA 0.002 4.742 4.740 -0.000 0.000 0.212 368 N C -0.000 175.612 175.510 0.170 0.000 1.152 368 N CA 0.050 53.218 53.050 0.197 0.000 0.872 368 N CB -0.033 38.548 38.487 0.158 0.000 1.025 368 N HN 0.086 nan 8.380 nan 0.000 0.514 369 Q N 0.527 120.444 119.800 0.194 0.000 2.241 369 Q HA 0.332 4.672 4.340 -0.000 0.000 0.262 369 Q C -0.422 175.710 176.000 0.220 0.000 1.014 369 Q CA -0.378 55.532 55.803 0.178 0.000 0.885 369 Q CB 1.433 30.266 28.738 0.158 0.000 1.311 369 Q HN 0.288 nan 8.270 nan 0.000 0.461 370 Q N 0.902 120.816 119.800 0.191 0.000 2.279 370 Q HA 0.527 4.867 4.340 -0.000 0.000 0.256 370 Q C -1.154 174.999 176.000 0.256 0.000 0.937 370 Q CA 0.023 55.938 55.803 0.187 0.000 0.933 370 Q CB 0.703 29.511 28.738 0.115 0.000 1.189 370 Q HN 0.397 nan 8.270 nan 0.000 0.417 371 F N 1.447 121.449 119.950 0.087 0.000 2.623 371 F HA 0.160 4.687 4.527 -0.000 0.000 0.323 371 F C -1.348 174.459 175.800 0.011 0.000 1.158 371 F CA -0.841 57.157 58.000 -0.002 0.000 1.030 371 F CB 1.716 40.655 39.000 -0.101 0.000 1.280 371 F HN 0.298 nan 8.300 nan 0.000 0.474 372 Q N 5.625 125.012 119.800 -0.689 0.000 2.344 372 Q HA 0.136 4.476 4.340 -0.000 0.000 0.253 372 Q C -0.949 174.756 176.000 -0.492 0.000 1.050 372 Q CA 0.080 55.645 55.803 -0.396 0.000 0.912 372 Q CB 0.256 28.807 28.738 -0.311 0.000 1.258 372 Q HN 0.640 nan 8.270 nan 0.000 0.443 373 Y N 2.831 123.101 120.300 -0.050 0.000 3.028 373 Y HA 0.002 4.552 4.550 -0.000 0.000 0.381 373 Y C 0.877 176.787 175.900 0.018 0.000 1.139 373 Y CA 0.004 58.172 58.100 0.112 0.000 2.013 373 Y CB -0.010 38.575 38.460 0.210 0.000 2.146 373 Y HN 0.416 nan 8.280 nan 0.000 0.412 374 Q N -0.490 119.316 119.800 0.011 0.000 2.626 374 Q HA 0.623 4.963 4.340 -0.000 0.000 0.300 374 Q C -1.735 174.226 176.000 -0.064 0.000 0.988 374 Q CA -1.373 54.424 55.803 -0.010 0.000 0.761 374 Q CB 2.545 31.273 28.738 -0.016 0.000 1.494 374 Q HN 0.243 nan 8.270 nan 0.000 0.439 375 N N -0.914 117.748 118.700 -0.063 0.000 3.265 375 N HA 0.485 5.224 4.740 -0.000 0.000 0.235 375 N C -2.278 173.199 175.510 -0.055 0.000 1.343 375 N CA -0.457 52.555 53.050 -0.063 0.000 0.904 375 N CB 2.156 40.606 38.487 -0.062 0.000 1.492 375 N HN 0.600 nan 8.380 nan 0.000 0.504 376 R N 1.815 122.310 120.500 -0.008 0.000 2.502 376 R HA 0.466 4.806 4.340 -0.000 0.000 0.298 376 R C -0.767 175.667 176.300 0.223 0.000 1.018 376 R CA -0.752 55.409 56.100 0.102 0.000 0.899 376 R CB 0.625 30.894 30.300 -0.052 0.000 1.181 376 R HN 0.611 nan 8.270 nan 0.000 0.444 377 I N 2.039 122.813 120.570 0.340 0.000 2.533 377 I HA 0.483 4.652 4.170 -0.000 0.000 0.284 377 I C -0.288 175.992 176.117 0.271 0.000 1.109 377 I CA -0.016 61.366 61.300 0.136 0.000 1.412 377 I CB 0.975 38.962 38.000 -0.022 0.000 1.396 377 I HN 0.636 nan 8.210 nan 0.000 0.543 378 A N 5.123 128.003 122.820 0.100 0.000 2.293 378 A HA 0.471 4.791 4.320 -0.000 0.000 0.302 378 A C 1.214 178.772 177.584 -0.043 0.000 1.119 378 A CA -0.352 51.706 52.037 0.035 0.000 0.823 378 A CB 0.928 19.845 19.000 -0.138 0.000 1.097 378 A HN 0.900 nan 8.150 nan 0.000 0.491 379 S N 0.592 116.261 115.700 -0.052 0.000 2.353 379 S HA -0.168 4.301 4.470 -0.000 0.000 0.222 379 S C 1.720 176.275 174.600 -0.075 0.000 1.035 379 S CA 2.155 60.264 58.200 -0.152 0.000 1.025 379 S CB -0.433 62.785 63.200 0.030 0.000 0.902 379 S HN 0.820 nan 8.310 nan 0.000 0.440 380 E N 0.736 120.920 120.200 -0.025 0.000 2.147 380 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 380 E C 1.605 178.167 176.600 -0.063 0.000 1.005 380 E CA 0.979 57.377 56.400 -0.003 0.000 0.810 380 E CB -0.327 29.396 29.700 0.039 0.000 0.736 380 E HN 0.463 nan 8.360 nan 0.000 0.460 381 F N 1.052 120.686 119.950 -0.526 0.000 2.259 381 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 381 F C 1.850 177.514 175.800 -0.228 0.000 1.088 381 F CA 1.209 58.986 58.000 -0.372 0.000 1.358 381 F CB -0.493 38.230 39.000 -0.461 0.000 1.040 381 F HN 0.019 nan 8.300 nan 0.000 0.505 382 N N -1.213 117.278 118.700 -0.348 0.000 2.120 382 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 382 N C 1.667 176.801 175.510 -0.627 0.000 1.024 382 N CA 1.682 54.047 53.050 -1.142 0.000 0.852 382 N CB -0.018 37.971 38.487 -0.830 0.000 1.003 382 N HN 0.184 nan 8.380 nan 0.000 0.424 383 T N 1.404 115.824 114.554 -0.224 0.000 2.643 383 T HA -0.103 4.247 4.350 -0.000 0.000 0.264 383 T C 1.922 176.655 174.700 0.055 0.000 1.045 383 T CA 1.098 63.180 62.100 -0.031 0.000 1.155 383 T CB -0.410 68.375 68.868 -0.137 0.000 0.863 383 T HN 0.166 nan 8.240 nan 0.000 0.420 384 L N -0.484 120.732 121.223 -0.013 0.000 2.051 384 L HA -0.168 4.172 4.340 -0.000 0.000 0.214 384 L C 2.117 178.939 176.870 -0.079 0.000 1.076 384 L CA 1.506 56.353 54.840 0.012 0.000 0.758 384 L CB -0.651 41.437 42.059 0.048 0.000 0.890 384 L HN 0.269 nan 8.230 nan 0.000 0.433 385 Y N -0.833 119.172 120.300 -0.492 0.000 2.519 385 Y HA -0.032 4.518 4.550 -0.000 0.000 0.311 385 Y C 0.548 175.925 175.900 -0.872 0.000 1.207 385 Y CA -0.107 57.401 58.100 -0.986 0.000 1.289 385 Y CB -0.835 36.914 38.460 -1.185 0.000 1.059 385 Y HN 0.164 nan 8.280 nan 0.000 0.507 386 H N -0.855 118.087 119.070 -0.213 0.000 3.014 386 H HA 0.022 4.578 4.556 -0.000 0.000 0.266 386 H C -0.572 174.879 175.328 0.205 0.000 1.455 386 H CA -0.119 55.868 56.048 -0.102 0.000 1.402 386 H CB -0.333 29.450 29.762 0.034 0.000 1.626 386 H HN 0.195 nan 8.280 nan 0.000 0.520 387 W N 2.166 123.398 121.300 -0.112 0.000 2.564 387 W HA 0.155 4.815 4.660 -0.000 0.000 0.414 387 W C 0.488 176.993 176.519 -0.023 0.000 0.700 387 W CA -0.807 56.546 57.345 0.012 0.000 2.430 387 W CB -1.090 28.450 29.460 0.133 0.000 1.529 387 W HN 0.788 nan 8.180 nan 0.000 0.795 388 H N 0.595 119.911 119.070 0.411 0.000 2.422 388 H HA -0.118 4.438 4.556 -0.000 0.000 0.298 388 H C -0.574 174.910 175.328 0.261 0.000 1.098 388 H CA 1.485 57.726 56.048 0.321 0.000 1.315 388 H CB -0.998 28.943 29.762 0.298 0.000 1.382 388 H HN -0.013 nan 8.280 nan 0.000 0.523 389 P HA -0.120 nan 4.420 nan 0.000 0.231 389 P C 0.882 178.263 177.300 0.136 0.000 1.158 389 P CA 0.979 64.178 63.100 0.165 0.000 0.763 389 P CB 0.010 31.754 31.700 0.073 0.000 0.805 390 L N -1.794 119.533 121.223 0.174 0.000 2.141 390 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 390 L C 1.077 178.047 176.870 0.168 0.000 1.094 390 L CA 0.391 55.314 54.840 0.137 0.000 0.763 390 L CB -0.714 41.460 42.059 0.193 0.000 0.908 390 L HN -0.008 nan 8.230 nan 0.000 0.437 391 L N 2.008 123.369 121.223 0.230 0.000 2.540 391 L HA 0.044 4.384 4.340 -0.000 0.000 0.276 391 L C -1.774 175.221 176.870 0.209 0.000 1.212 391 L CA -1.133 53.853 54.840 0.243 0.000 0.893 391 L CB -0.194 42.163 42.059 0.497 0.000 1.138 391 L HN -0.068 nan 8.230 nan 0.000 0.491 392 P HA 0.133 nan 4.420 nan 0.000 0.297 392 P C -0.497 176.678 177.300 -0.209 0.000 1.307 392 P CA -0.459 62.476 63.100 -0.275 0.000 0.773 392 P CB 1.169 32.548 31.700 -0.535 0.000 1.265 393 D N -1.328 118.904 120.400 -0.280 0.000 2.305 393 D HA 0.026 4.666 4.640 -0.000 0.000 0.206 393 D C 0.541 176.747 176.300 -0.155 0.000 0.974 393 D CA 1.325 55.262 54.000 -0.104 0.000 0.871 393 D CB 0.176 40.922 40.800 -0.090 0.000 0.947 393 D HN 0.493 nan 8.370 nan 0.000 0.516 394 T N -1.764 112.565 114.554 -0.375 0.000 2.909 394 T HA 0.524 4.874 4.350 -0.000 0.000 0.299 394 T C -0.695 173.655 174.700 -0.584 0.000 1.073 394 T CA -0.848 61.034 62.100 -0.363 0.000 0.999 394 T CB 1.320 70.073 68.868 -0.190 0.000 1.098 394 T HN -0.252 nan 8.240 nan 0.000 0.477 395 F N 1.941 121.778 119.950 -0.188 0.000 2.313 395 F HA 0.379 4.906 4.527 -0.000 0.000 0.369 395 F C 0.652 176.401 175.800 -0.085 0.000 1.109 395 F CA -0.999 56.829 58.000 -0.287 0.000 1.132 395 F CB 0.288 38.738 39.000 -0.916 0.000 1.291 395 F HN 0.554 nan 8.300 nan 0.000 0.496 396 N N 5.019 123.738 118.700 0.031 0.000 2.482 396 N HA 0.331 5.071 4.740 -0.000 0.000 0.242 396 N C -0.692 174.802 175.510 -0.026 0.000 1.100 396 N CA -0.197 52.840 53.050 -0.021 0.000 0.946 396 N CB 0.792 39.236 38.487 -0.072 0.000 1.227 396 N HN 0.486 nan 8.380 nan 0.000 0.508 397 I N 2.050 122.565 120.570 -0.092 0.000 2.313 397 I HA 0.065 4.234 4.170 -0.000 0.000 0.286 397 I C 0.103 176.011 176.117 -0.348 0.000 1.091 397 I CA -0.591 60.489 61.300 -0.367 0.000 1.216 397 I CB 0.293 37.902 38.000 -0.651 0.000 1.434 397 I HN 0.438 nan 8.210 nan 0.000 0.487 398 E N 5.074 125.136 120.200 -0.230 0.000 0.704 398 E HA -0.279 4.071 4.350 -0.000 0.000 0.351 398 E C 0.042 176.580 176.600 -0.103 0.000 0.925 398 E CA 1.034 57.353 56.400 -0.135 0.000 1.318 398 E CB -0.368 29.276 29.700 -0.093 0.000 0.430 398 E HN 0.721 nan 8.360 nan 0.000 0.355 399 D N 0.309 120.657 120.400 -0.086 0.000 2.202 399 D HA -0.182 4.457 4.640 -0.000 0.000 0.165 399 D C -0.099 176.136 176.300 -0.108 0.000 1.170 399 D CA 1.635 55.594 54.000 -0.068 0.000 1.110 399 D CB -0.489 40.297 40.800 -0.024 0.000 1.160 399 D HN 0.437 nan 8.370 nan 0.000 0.496 400 Q N 0.497 120.195 119.800 -0.171 0.000 2.345 400 Q HA 0.576 4.916 4.340 -0.000 0.000 0.268 400 Q C -0.712 175.026 176.000 -0.437 0.000 1.054 400 Q CA -0.065 55.545 55.803 -0.321 0.000 0.835 400 Q CB 1.721 30.235 28.738 -0.375 0.000 1.339 400 Q HN 0.222 nan 8.270 nan 0.000 0.447 401 E N 1.682 121.588 120.200 -0.491 0.000 2.256 401 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 401 E C -1.182 175.153 176.600 -0.442 0.000 0.892 401 E CA -0.603 55.593 56.400 -0.339 0.000 0.775 401 E CB 1.796 31.380 29.700 -0.192 0.000 1.207 401 E HN 0.384 nan 8.360 nan 0.000 0.420 402 Y N 0.244 120.535 120.300 -0.015 0.000 2.485 402 Y HA 0.246 4.796 4.550 -0.000 0.000 0.345 402 Y C 0.504 176.453 175.900 0.082 0.000 0.998 402 Y CA -0.933 57.210 58.100 0.071 0.000 1.059 402 Y CB 1.967 40.526 38.460 0.166 0.000 1.234 402 Y HN 0.472 nan 8.280 nan 0.000 0.461 403 S N 0.884 116.760 115.700 0.294 0.000 2.617 403 S HA 0.232 4.702 4.470 -0.000 0.000 0.269 403 S C 0.720 175.572 174.600 0.420 0.000 1.292 403 S CA -0.523 57.840 58.200 0.272 0.000 1.010 403 S CB 0.494 63.823 63.200 0.214 0.000 0.944 403 S HN 0.565 nan 8.310 nan 0.000 0.536 404 F N 2.011 122.108 119.950 0.244 0.000 2.043 404 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 404 F C 2.304 178.269 175.800 0.275 0.000 1.118 404 F CA 2.214 60.443 58.000 0.382 0.000 1.202 404 F CB -0.826 38.335 39.000 0.268 0.000 0.965 404 F HN 0.578 nan 8.300 nan 0.000 0.482 405 K N -0.069 120.558 120.400 0.377 0.000 2.218 405 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 405 K C 1.820 178.508 176.600 0.147 0.000 1.046 405 K CA 1.519 57.931 56.287 0.208 0.000 0.933 405 K CB -0.519 32.084 32.500 0.172 0.000 0.728 405 K HN 0.435 nan 8.250 nan 0.000 0.454 406 Q N -1.215 118.723 119.800 0.230 0.000 2.250 406 Q HA 0.045 4.385 4.340 -0.000 0.000 0.200 406 Q C 1.650 177.766 176.000 0.194 0.000 0.941 406 Q CA 0.612 56.557 55.803 0.236 0.000 0.872 406 Q CB -0.013 28.952 28.738 0.378 0.000 0.965 406 Q HN 0.271 nan 8.270 nan 0.000 0.480 407 F N 1.351 121.309 119.950 0.014 0.000 2.187 407 F HA 0.040 4.567 4.527 -0.000 0.000 0.295 407 F C 0.647 176.284 175.800 -0.270 0.000 1.091 407 F CA 0.311 58.209 58.000 -0.170 0.000 1.308 407 F CB 0.024 38.942 39.000 -0.136 0.000 1.030 407 F HN -0.103 nan 8.300 nan 0.000 0.487 408 L N 2.387 123.474 121.223 -0.226 0.000 2.667 408 L HA -0.171 4.169 4.340 -0.000 0.000 0.278 408 L C 0.202 176.468 176.870 -1.008 0.000 1.217 408 L CA 0.214 54.707 54.840 -0.577 0.000 0.935 408 L CB -0.990 40.708 42.059 -0.602 0.000 1.193 408 L HN 0.530 nan 8.230 nan 0.000 0.493 409 Y N 1.446 121.686 120.300 -0.100 0.000 3.152 409 Y HA -0.304 4.246 4.550 -0.000 0.000 0.212 409 Y C 0.064 175.924 175.900 -0.065 0.000 1.198 409 Y CA 0.284 58.348 58.100 -0.059 0.000 1.220 409 Y CB -2.286 36.191 38.460 0.028 0.000 1.326 409 Y HN 0.715 nan 8.280 nan 0.000 0.562 410 N N 1.581 120.173 118.700 -0.180 0.000 2.800 410 N HA 0.243 4.983 4.740 -0.000 0.000 0.240 410 N C 0.056 175.445 175.510 -0.201 0.000 1.096 410 N CA -0.234 52.734 53.050 -0.138 0.000 0.877 410 N CB 0.054 38.446 38.487 -0.158 0.000 1.138 410 N HN 0.649 nan 8.380 nan 0.000 0.509 411 N N -0.025 118.566 118.700 -0.181 0.000 2.457 411 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 411 N C 1.371 176.790 175.510 -0.151 0.000 1.050 411 N CA 0.675 53.595 53.050 -0.217 0.000 0.906 411 N CB 0.342 38.562 38.487 -0.446 0.000 0.968 411 N HN 0.478 nan 8.380 nan 0.000 0.445 412 S N 0.993 116.615 115.700 -0.130 0.000 2.400 412 S HA -0.119 4.351 4.470 -0.000 0.000 0.232 412 S C 1.830 176.411 174.600 -0.031 0.000 1.025 412 S CA 0.715 58.865 58.200 -0.083 0.000 0.993 412 S CB -0.494 62.672 63.200 -0.058 0.000 0.808 412 S HN 0.291 nan 8.310 nan 0.000 0.478 413 I N 1.009 121.580 120.570 0.002 0.000 2.208 413 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 413 I C 2.475 178.808 176.117 0.361 0.000 1.097 413 I CA 1.119 62.508 61.300 0.148 0.000 1.363 413 I CB -0.422 37.587 38.000 0.015 0.000 1.051 413 I HN 0.275 nan 8.210 nan 0.000 0.413 414 L N 0.760 122.098 121.223 0.191 0.000 2.005 414 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 414 L C 2.269 179.162 176.870 0.038 0.000 1.072 414 L CA 1.803 56.641 54.840 -0.004 0.000 0.744 414 L CB -0.499 41.467 42.059 -0.155 0.000 0.895 414 L HN 0.113 nan 8.230 nan 0.000 0.433 415 L N -0.659 120.562 121.223 -0.004 0.000 2.191 415 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 415 L C 2.588 179.426 176.870 -0.053 0.000 1.103 415 L CA 0.674 55.467 54.840 -0.077 0.000 0.769 415 L CB -0.620 41.345 42.059 -0.156 0.000 0.908 415 L HN 0.374 nan 8.230 nan 0.000 0.438 416 E N 0.270 120.416 120.200 -0.090 0.000 1.996 416 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 416 E C 2.058 178.488 176.600 -0.283 0.000 1.002 416 E CA 1.804 58.036 56.400 -0.281 0.000 0.840 416 E CB -0.363 28.987 29.700 -0.584 0.000 0.786 416 E HN 0.595 nan 8.360 nan 0.000 0.469 417 H N -0.883 118.307 119.070 0.200 0.000 2.470 417 H HA 0.245 4.801 4.556 -0.000 0.000 0.289 417 H C 0.852 176.296 175.328 0.195 0.000 1.033 417 H CA 0.610 56.776 56.048 0.197 0.000 1.331 417 H CB -0.126 29.761 29.762 0.208 0.000 1.414 417 H HN 0.367 nan 8.280 nan 0.000 0.545 418 G N 2.500 111.462 108.800 0.269 0.000 2.392 418 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 418 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 418 G C 0.322 175.251 174.900 0.048 0.000 0.920 418 G CA 0.223 45.402 45.100 0.132 0.000 1.316 418 G HN 0.300 nan 8.290 nan 0.000 0.416 419 L N -0.603 120.551 121.223 -0.115 0.000 3.542 419 L HA -0.396 3.943 4.340 -0.000 0.000 0.053 419 L C 3.016 179.898 176.870 0.019 0.000 4.355 419 L CA 3.785 58.546 54.840 -0.132 0.000 0.629 419 L CB -2.392 39.547 42.059 -0.199 0.000 3.504 419 L HN 0.966 nan 8.230 nan 0.000 0.781 420 T N -0.758 113.802 114.554 0.010 0.000 2.597 420 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 420 T C 1.044 175.783 174.700 0.066 0.000 1.053 420 T CA 1.984 64.099 62.100 0.025 0.000 1.165 420 T CB -0.266 68.613 68.868 0.019 0.000 0.863 420 T HN 0.353 nan 8.240 nan 0.000 0.427 421 Q N 0.302 120.166 119.800 0.107 0.000 2.472 421 Q HA 0.470 4.809 4.340 -0.000 0.000 0.227 421 Q C -0.628 175.470 176.000 0.164 0.000 1.156 421 Q CA -0.550 55.313 55.803 0.100 0.000 0.924 421 Q CB -0.353 28.458 28.738 0.123 0.000 1.354 421 Q HN 0.521 nan 8.270 nan 0.000 0.525 422 F N 0.822 120.668 119.950 -0.174 0.000 1.669 422 F HA -0.131 4.395 4.527 -0.000 0.000 0.393 422 F C 0.818 176.411 175.800 -0.346 0.000 1.071 422 F CA 0.395 58.163 58.000 -0.387 0.000 1.115 422 F CB -0.066 38.771 39.000 -0.272 0.000 1.677 422 F HN 0.243 nan 8.300 nan 0.000 0.266 423 V N 1.020 120.979 119.914 0.074 0.000 2.323 423 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 423 V C 1.831 177.971 176.094 0.077 0.000 1.041 423 V CA 2.585 64.929 62.300 0.074 0.000 1.025 423 V CB -0.335 31.499 31.823 0.019 0.000 0.656 423 V HN 0.338 nan 8.190 nan 0.000 0.451 424 E N 0.123 120.351 120.200 0.047 0.000 2.051 424 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 424 E C 2.381 179.012 176.600 0.052 0.000 0.991 424 E CA 1.665 58.100 56.400 0.059 0.000 0.799 424 E CB -0.244 29.483 29.700 0.044 0.000 0.748 424 E HN 0.512 nan 8.360 nan 0.000 0.449 425 S N 0.780 116.464 115.700 -0.027 0.000 2.354 425 S HA -0.151 4.319 4.470 -0.000 0.000 0.219 425 S C 1.720 176.416 174.600 0.159 0.000 1.035 425 S CA 1.096 59.274 58.200 -0.037 0.000 1.037 425 S CB -0.390 62.653 63.200 -0.261 0.000 0.956 425 S HN 0.173 nan 8.310 nan 0.000 0.428 426 F N 2.316 122.287 119.950 0.035 0.000 2.202 426 F HA -0.081 4.446 4.527 -0.000 0.000 0.301 426 F C 2.749 178.616 175.800 0.112 0.000 1.082 426 F CA 0.698 58.760 58.000 0.104 0.000 1.313 426 F CB -1.954 37.162 39.000 0.193 0.000 1.024 426 F HN 0.185 nan 8.300 nan 0.000 0.495 427 T N -0.152 114.564 114.554 0.271 0.000 2.833 427 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 427 T C 1.065 175.859 174.700 0.158 0.000 1.054 427 T CA 0.933 63.140 62.100 0.178 0.000 1.135 427 T CB -0.269 68.683 68.868 0.141 0.000 0.869 427 T HN 0.149 nan 8.240 nan 0.000 0.466 428 R N 1.785 122.376 120.500 0.151 0.000 3.050 428 R HA 0.463 4.803 4.340 -0.000 0.000 0.275 428 R C -0.337 176.020 176.300 0.096 0.000 1.373 428 R CA -0.161 56.004 56.100 0.108 0.000 1.612 428 R CB 0.373 30.723 30.300 0.082 0.000 1.218 428 R HN 0.228 nan 8.270 nan 0.000 0.621 429 Q N 2.708 122.562 119.800 0.090 0.000 2.869 429 Q HA 0.114 4.454 4.340 -0.000 0.000 0.213 429 Q C -0.595 175.424 176.000 0.032 0.000 0.762 429 Q CA -0.383 55.451 55.803 0.052 0.000 1.065 429 Q CB 0.789 29.574 28.738 0.077 0.000 1.594 429 Q HN 0.606 nan 8.270 nan 0.000 0.503 430 I N 0.125 120.715 120.570 0.034 0.000 3.094 430 I HA 0.463 4.632 4.170 -0.000 0.000 0.291 430 I C 0.168 176.338 176.117 0.088 0.000 1.250 430 I CA -0.004 61.332 61.300 0.060 0.000 1.401 430 I CB 0.383 38.450 38.000 0.112 0.000 1.343 430 I HN 0.524 nan 8.210 nan 0.000 0.599 431 A N 3.270 126.145 122.820 0.093 0.000 2.330 431 A HA 0.756 5.076 4.320 -0.000 0.000 0.329 431 A C 0.290 177.969 177.584 0.159 0.000 1.135 431 A CA -0.196 51.913 52.037 0.120 0.000 0.817 431 A CB 0.884 19.897 19.000 0.022 0.000 1.269 431 A HN 1.050 nan 8.150 nan 0.000 0.469 432 G N -0.133 108.779 108.800 0.186 0.000 2.636 432 G HA2 0.412 4.372 3.960 -0.000 0.000 0.246 432 G HA3 0.412 4.372 3.960 -0.000 0.000 0.246 432 G C 0.233 174.996 174.900 -0.228 0.000 1.216 432 G CA -0.465 44.534 45.100 -0.167 0.000 0.854 432 G HN 0.877 nan 8.290 nan 0.000 0.572 433 R N 0.249 120.555 120.500 -0.323 0.000 2.490 433 R HA 0.275 4.615 4.340 -0.000 0.000 0.280 433 R C 1.030 177.190 176.300 -0.234 0.000 1.077 433 R CA -0.630 55.294 56.100 -0.295 0.000 1.065 433 R CB 0.980 31.111 30.300 -0.282 0.000 1.003 433 R HN 0.254 nan 8.270 nan 0.000 0.470 434 V N 3.606 123.360 119.914 -0.268 0.000 2.249 434 V HA -0.013 4.107 4.120 -0.000 0.000 0.239 434 V C 1.167 177.204 176.094 -0.094 0.000 1.038 434 V CA 1.701 63.908 62.300 -0.155 0.000 1.005 434 V CB -0.648 31.072 31.823 -0.172 0.000 0.646 434 V HN 0.943 nan 8.190 nan 0.000 0.455 435 A N -0.876 121.898 122.820 -0.077 0.000 2.325 435 A HA 0.499 4.819 4.320 -0.000 0.000 0.260 435 A C 1.460 178.988 177.584 -0.093 0.000 1.133 435 A CA 0.750 52.757 52.037 -0.050 0.000 0.801 435 A CB -0.369 18.629 19.000 -0.003 0.000 1.092 435 A HN 1.310 nan 8.150 nan 0.000 0.504 436 G N -1.621 107.133 108.800 -0.078 0.000 3.047 436 G HA2 0.457 4.417 3.960 -0.000 0.000 0.203 436 G HA3 0.457 4.417 3.960 -0.000 0.000 0.203 436 G C 1.234 176.088 174.900 -0.076 0.000 1.444 436 G CA 0.639 45.687 45.100 -0.087 0.000 1.020 436 G HN 3.008 nan 8.290 nan 0.000 0.563 437 G N -1.137 107.615 108.800 -0.079 0.000 2.333 437 G HA2 0.543 4.503 3.960 -0.000 0.000 0.330 437 G HA3 0.543 4.503 3.960 -0.000 0.000 0.330 437 G C -0.009 174.850 174.900 -0.067 0.000 1.465 437 G CA 0.260 45.320 45.100 -0.066 0.000 0.996 437 G HN 1.443 nan 8.290 nan 0.000 0.655 438 R N -0.533 119.936 120.500 -0.051 0.000 3.013 438 R HA -0.230 4.110 4.340 -0.000 0.000 0.232 438 R C 0.618 176.889 176.300 -0.049 0.000 0.854 438 R CA 0.981 57.055 56.100 -0.042 0.000 0.580 438 R CB -0.708 29.569 30.300 -0.038 0.000 1.030 438 R HN 0.408 nan 8.270 nan 0.000 0.489 439 N N -0.501 118.171 118.700 -0.048 0.000 2.200 439 N HA 0.071 4.811 4.740 -0.000 0.000 0.224 439 N C -0.733 174.784 175.510 0.010 0.000 1.179 439 N CA -0.008 53.013 53.050 -0.050 0.000 0.877 439 N CB 1.008 39.431 38.487 -0.106 0.000 1.072 439 N HN 0.043 nan 8.380 nan 0.000 0.519 440 V N 2.934 122.864 119.914 0.027 0.000 2.415 440 V HA 0.240 4.360 4.120 -0.000 0.000 0.267 440 V C -2.017 174.100 176.094 0.039 0.000 1.042 440 V CA -1.383 60.959 62.300 0.069 0.000 1.000 440 V CB 0.636 32.507 31.823 0.080 0.000 1.015 440 V HN 0.082 nan 8.190 nan 0.000 0.478 441 P HA 0.007 nan 4.420 nan 0.000 0.258 441 P C 1.225 178.448 177.300 -0.128 0.000 1.172 441 P CA 0.258 63.323 63.100 -0.058 0.000 0.762 441 P CB 0.340 31.983 31.700 -0.095 0.000 0.764 442 I N 2.648 123.143 120.570 -0.125 0.000 2.623 442 I HA -0.265 3.905 4.170 -0.000 0.000 0.261 442 I C 1.886 177.905 176.117 -0.163 0.000 1.204 442 I CA 1.534 62.769 61.300 -0.108 0.000 1.444 442 I CB -1.491 36.461 38.000 -0.080 0.000 1.094 442 I HN 0.352 nan 8.210 nan 0.000 0.451 443 A N 1.499 124.124 122.820 -0.325 0.000 1.832 443 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 443 A C 1.828 179.277 177.584 -0.225 0.000 1.200 443 A CA 1.638 53.438 52.037 -0.394 0.000 0.610 443 A CB -0.918 17.460 19.000 -1.036 0.000 0.842 443 A HN 0.316 nan 8.150 nan 0.000 0.444 444 V N -0.190 119.589 119.914 -0.225 0.000 3.226 444 V HA 0.160 4.280 4.120 -0.000 0.000 0.385 444 V C 1.157 177.204 176.094 -0.077 0.000 1.268 444 V CA 0.735 62.974 62.300 -0.101 0.000 1.443 444 V CB -1.318 30.458 31.823 -0.078 0.000 1.290 444 V HN 0.743 nan 8.190 nan 0.000 0.490 445 Q N 1.032 120.795 119.800 -0.062 0.000 2.331 445 Q HA 0.227 4.567 4.340 -0.000 0.000 0.203 445 Q C 1.967 177.960 176.000 -0.012 0.000 0.944 445 Q CA 1.260 57.050 55.803 -0.022 0.000 0.892 445 Q CB -0.154 28.568 28.738 -0.027 0.000 0.983 445 Q HN 0.553 nan 8.270 nan 0.000 0.482 446 A N 1.069 123.875 122.820 -0.024 0.000 1.933 446 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 446 A C 2.258 179.826 177.584 -0.027 0.000 1.175 446 A CA 1.434 53.459 52.037 -0.019 0.000 0.628 446 A CB -0.758 18.235 19.000 -0.013 0.000 0.814 446 A HN 0.240 nan 8.150 nan 0.000 0.444 447 V N -0.088 119.800 119.914 -0.044 0.000 2.223 447 V HA -0.254 3.866 4.120 -0.000 0.000 0.244 447 V C 3.091 179.168 176.094 -0.030 0.000 1.045 447 V CA 2.026 64.291 62.300 -0.059 0.000 1.000 447 V CB -1.395 30.317 31.823 -0.185 0.000 0.635 447 V HN 0.606 nan 8.190 nan 0.000 0.445 448 A N -0.305 122.541 122.820 0.044 0.000 1.948 448 A HA -0.336 3.984 4.320 -0.000 0.000 0.220 448 A C 2.355 180.009 177.584 0.117 0.000 1.177 448 A CA 2.560 54.702 52.037 0.175 0.000 0.636 448 A CB -0.579 18.561 19.000 0.233 0.000 0.815 448 A HN 0.567 nan 8.150 nan 0.000 0.449 449 K N -0.519 119.910 120.400 0.048 0.000 2.025 449 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 449 K C 2.231 178.808 176.600 -0.038 0.000 1.049 449 K CA 1.142 57.445 56.287 0.027 0.000 0.933 449 K CB -0.389 32.117 32.500 0.010 0.000 0.714 449 K HN 0.342 nan 8.250 nan 0.000 0.438 450 A N 1.064 123.843 122.820 -0.068 0.000 1.903 450 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 450 A C 2.214 179.674 177.584 -0.206 0.000 1.191 450 A CA 2.409 54.383 52.037 -0.105 0.000 0.638 450 A CB -0.917 18.031 19.000 -0.087 0.000 0.823 450 A HN 0.430 nan 8.150 nan 0.000 0.451 451 S N -0.112 115.370 115.700 -0.362 0.000 2.353 451 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 451 S C 1.833 176.105 174.600 -0.545 0.000 1.035 451 S CA 1.615 59.383 58.200 -0.719 0.000 1.025 451 S CB -0.608 61.691 63.200 -1.502 0.000 0.902 451 S HN 0.546 nan 8.310 nan 0.000 0.440 452 I N 1.906 122.306 120.570 -0.284 0.000 2.091 452 I HA -0.261 3.909 4.170 -0.000 0.000 0.239 452 I C 2.195 178.256 176.117 -0.093 0.000 1.061 452 I CA 1.469 62.737 61.300 -0.053 0.000 1.317 452 I CB -0.749 37.315 38.000 0.107 0.000 1.031 452 I HN 0.200 nan 8.210 nan 0.000 0.401 453 D N 0.665 121.017 120.400 -0.079 0.000 2.106 453 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 453 D C 2.276 178.530 176.300 -0.077 0.000 0.997 453 D CA 1.503 55.469 54.000 -0.057 0.000 0.834 453 D CB -0.399 40.373 40.800 -0.046 0.000 0.956 453 D HN 0.464 nan 8.370 nan 0.000 0.448 454 Q N 0.161 119.884 119.800 -0.127 0.000 2.079 454 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 454 Q C 2.353 178.253 176.000 -0.167 0.000 0.974 454 Q CA 1.232 56.964 55.803 -0.119 0.000 0.840 454 Q CB -0.042 28.623 28.738 -0.123 0.000 0.898 454 Q HN 0.132 nan 8.270 nan 0.000 0.430 455 S N 0.789 116.281 115.700 -0.346 0.000 2.387 455 S HA -0.176 4.294 4.470 -0.000 0.000 0.230 455 S C 1.763 176.247 174.600 -0.194 0.000 1.035 455 S CA 1.168 58.988 58.200 -0.632 0.000 1.014 455 S CB -0.193 62.529 63.200 -0.796 0.000 0.836 455 S HN 0.320 nan 8.310 nan 0.000 0.466 456 R N 1.252 121.701 120.500 -0.086 0.000 2.066 456 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 456 R C 2.511 178.846 176.300 0.058 0.000 1.131 456 R CA 1.568 57.684 56.100 0.026 0.000 0.955 456 R CB -0.383 29.930 30.300 0.023 0.000 0.851 456 R HN 0.718 nan 8.270 nan 0.000 0.432 457 E N 0.479 120.699 120.200 0.034 0.000 2.274 457 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 457 E C 1.188 177.837 176.600 0.081 0.000 0.996 457 E CA 0.806 57.238 56.400 0.053 0.000 0.840 457 E CB -0.119 29.605 29.700 0.040 0.000 0.772 457 E HN 0.234 nan 8.360 nan 0.000 0.491 458 M N 1.495 121.165 119.600 0.118 0.000 2.729 458 M HA 0.103 4.583 4.480 -0.000 0.000 0.229 458 M C -0.653 175.786 176.300 0.230 0.000 1.280 458 M CA -0.161 55.244 55.300 0.175 0.000 1.012 458 M CB 0.273 33.042 32.600 0.281 0.000 1.603 458 M HN -0.197 nan 8.290 nan 0.000 0.452 459 K N 0.239 120.739 120.400 0.166 0.000 3.903 459 K HA -0.219 4.101 4.320 -0.000 0.000 0.275 459 K C -0.974 175.735 176.600 0.181 0.000 0.825 459 K CA 0.964 57.334 56.287 0.139 0.000 0.684 459 K CB -1.938 30.599 32.500 0.062 0.000 1.707 459 K HN 0.322 nan 8.250 nan 0.000 0.435 460 Y N 0.379 120.714 120.300 0.059 0.000 2.281 460 Y HA 0.100 4.650 4.550 -0.000 0.000 0.337 460 Y C 1.698 177.678 175.900 0.135 0.000 1.304 460 Y CA -0.013 58.160 58.100 0.122 0.000 1.465 460 Y CB 0.663 39.189 38.460 0.110 0.000 1.350 460 Y HN 0.250 nan 8.280 nan 0.000 0.575 461 Q N -0.126 119.874 119.800 0.334 0.000 2.240 461 Q HA 0.403 4.743 4.340 -0.000 0.000 0.260 461 Q C -0.438 175.722 176.000 0.267 0.000 1.018 461 Q CA -1.069 54.827 55.803 0.155 0.000 0.898 461 Q CB 1.540 30.200 28.738 -0.130 0.000 1.301 461 Q HN 0.773 nan 8.270 nan 0.000 0.469 462 S N 0.087 115.857 115.700 0.116 0.000 2.573 462 S HA -0.038 4.432 4.470 -0.000 0.000 0.277 462 S C 0.952 175.657 174.600 0.176 0.000 1.346 462 S CA -0.429 57.836 58.200 0.108 0.000 1.034 462 S CB 0.448 63.660 63.200 0.020 0.000 0.879 462 S HN 0.681 nan 8.310 nan 0.000 0.528 463 L N 2.311 123.599 121.223 0.110 0.000 2.079 463 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 463 L C 1.855 178.758 176.870 0.055 0.000 1.081 463 L CA 2.036 56.940 54.840 0.107 0.000 0.752 463 L CB -1.233 40.825 42.059 -0.002 0.000 0.896 463 L HN 0.838 nan 8.230 nan 0.000 0.433 464 N N -0.889 117.799 118.700 -0.020 0.000 2.188 464 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 464 N C 1.657 177.127 175.510 -0.067 0.000 1.018 464 N CA 1.142 54.149 53.050 -0.072 0.000 0.858 464 N CB -0.025 38.411 38.487 -0.084 0.000 0.989 464 N HN 0.395 nan 8.380 nan 0.000 0.426 465 E N 0.363 120.519 120.200 -0.074 0.000 2.031 465 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 465 E C 1.675 178.170 176.600 -0.176 0.000 0.994 465 E CA 1.141 57.441 56.400 -0.166 0.000 0.800 465 E CB -0.520 29.029 29.700 -0.252 0.000 0.752 465 E HN 0.498 nan 8.360 nan 0.000 0.447 466 Y N 1.294 121.601 120.300 0.012 0.000 2.207 466 Y HA -0.178 4.372 4.550 -0.000 0.000 0.287 466 Y C 2.583 178.544 175.900 0.102 0.000 1.156 466 Y CA 1.428 59.580 58.100 0.087 0.000 1.182 466 Y CB -0.226 38.279 38.460 0.074 0.000 0.979 466 Y HN 0.007 nan 8.280 nan 0.000 0.521 467 R N 0.092 120.659 120.500 0.113 0.000 2.073 467 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 467 R C 2.182 178.489 176.300 0.013 0.000 1.134 467 R CA 1.718 57.824 56.100 0.009 0.000 0.952 467 R CB -0.291 29.916 30.300 -0.156 0.000 0.850 467 R HN 0.303 nan 8.270 nan 0.000 0.433 468 K N 0.125 120.500 120.400 -0.041 0.000 2.032 468 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 468 K C 2.121 178.675 176.600 -0.076 0.000 1.048 468 K CA 1.509 57.750 56.287 -0.078 0.000 0.927 468 K CB -0.175 32.255 32.500 -0.116 0.000 0.712 468 K HN -0.080 nan 8.250 nan 0.000 0.441 469 R N 0.808 121.270 120.500 -0.063 0.000 2.117 469 R HA -0.138 4.202 4.340 -0.000 0.000 0.243 469 R C 0.714 176.822 176.300 -0.319 0.000 1.143 469 R CA 1.578 57.583 56.100 -0.158 0.000 0.968 469 R CB -0.372 29.881 30.300 -0.078 0.000 0.863 469 R HN 0.088 nan 8.270 nan 0.000 0.444 470 F N 0.709 120.599 119.950 -0.100 0.000 2.916 470 F HA 0.317 4.844 4.527 -0.000 0.000 0.294 470 F C 0.551 176.287 175.800 -0.106 0.000 1.189 470 F CA -0.098 57.827 58.000 -0.125 0.000 1.369 470 F CB -0.035 38.886 39.000 -0.131 0.000 0.961 470 F HN -0.056 nan 8.300 nan 0.000 0.508 471 S N 0.031 115.709 115.700 -0.036 0.000 3.445 471 S HA -0.213 4.257 4.470 -0.000 0.000 0.319 471 S C 0.269 174.871 174.600 0.004 0.000 1.209 471 S CA 0.385 58.574 58.200 -0.019 0.000 0.934 471 S CB -1.970 61.228 63.200 -0.003 0.000 0.999 471 S HN 0.331 nan 8.310 nan 0.000 0.582 472 L N 0.383 121.606 121.223 0.001 0.000 2.387 472 L HA 0.500 4.840 4.340 -0.000 0.000 0.266 472 L C 0.489 177.321 176.870 -0.064 0.000 1.059 472 L CA -0.714 54.110 54.840 -0.027 0.000 0.801 472 L CB 0.791 42.821 42.059 -0.048 0.000 1.223 472 L HN 0.020 nan 8.230 nan 0.000 0.456 473 K N 2.877 123.231 120.400 -0.077 0.000 2.227 473 K HA 0.341 4.661 4.320 -0.000 0.000 0.280 473 K C -2.329 174.182 176.600 -0.149 0.000 1.041 473 K CA -1.648 54.593 56.287 -0.078 0.000 0.905 473 K CB 1.175 33.656 32.500 -0.032 0.000 1.068 473 K HN 0.232 nan 8.250 nan 0.000 0.470 474 P HA -0.056 nan 4.420 nan 0.000 0.272 474 P C -0.932 176.308 177.300 -0.100 0.000 1.223 474 P CA -0.072 62.919 63.100 -0.181 0.000 0.784 474 P CB 0.360 31.994 31.700 -0.110 0.000 0.923 475 Y N 0.672 120.930 120.300 -0.069 0.000 2.442 475 Y HA 0.044 4.594 4.550 -0.000 0.000 0.330 475 Y C 1.974 177.818 175.900 -0.093 0.000 1.129 475 Y CA 0.164 58.213 58.100 -0.084 0.000 1.365 475 Y CB -0.260 38.126 38.460 -0.124 0.000 1.233 475 Y HN 0.335 nan 8.280 nan 0.000 0.529 476 T N -1.469 113.160 114.554 0.125 0.000 3.107 476 T HA 0.207 4.557 4.350 -0.000 0.000 0.249 476 T C -0.089 174.625 174.700 0.023 0.000 1.096 476 T CA 0.329 62.457 62.100 0.048 0.000 1.012 476 T CB -0.354 68.542 68.868 0.045 0.000 0.977 476 T HN 0.519 nan 8.240 nan 0.000 0.527 477 S N -0.617 115.077 115.700 -0.010 0.000 2.608 477 S HA 0.435 4.905 4.470 -0.000 0.000 0.285 477 S C -0.137 174.425 174.600 -0.063 0.000 1.108 477 S CA -0.985 57.217 58.200 0.003 0.000 0.858 477 S CB -0.052 63.184 63.200 0.061 0.000 1.077 477 S HN -0.098 nan 8.310 nan 0.000 0.450 478 F N 2.108 122.043 119.950 -0.024 0.000 2.161 478 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 478 F C 2.707 178.450 175.800 -0.094 0.000 1.089 478 F CA 1.814 59.785 58.000 -0.048 0.000 1.282 478 F CB -0.374 38.626 39.000 -0.001 0.000 1.010 478 F HN 0.727 nan 8.300 nan 0.000 0.485 479 E N 0.837 121.121 120.200 0.140 0.000 2.085 479 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 479 E C 1.924 178.483 176.600 -0.068 0.000 0.994 479 E CA 1.566 57.986 56.400 0.032 0.000 0.801 479 E CB -1.017 28.708 29.700 0.042 0.000 0.743 479 E HN 0.643 nan 8.360 nan 0.000 0.453 480 E N 0.978 121.107 120.200 -0.117 0.000 2.106 480 E HA -0.160 4.189 4.350 -0.000 0.000 0.192 480 E C 2.161 178.446 176.600 -0.526 0.000 0.984 480 E CA 0.698 56.959 56.400 -0.231 0.000 0.806 480 E CB -0.091 29.510 29.700 -0.165 0.000 0.750 480 E HN 0.187 nan 8.360 nan 0.000 0.458 481 L N 1.108 121.950 121.223 -0.634 0.000 1.948 481 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 481 L C 2.601 179.224 176.870 -0.412 0.000 1.074 481 L CA 3.041 57.371 54.840 -0.849 0.000 0.753 481 L CB -1.460 40.328 42.059 -0.452 0.000 0.888 481 L HN 0.363 nan 8.230 nan 0.000 0.432 482 T N -2.758 111.675 114.554 -0.201 0.000 2.788 482 T HA 0.076 4.426 4.350 -0.000 0.000 0.268 482 T C 1.631 176.270 174.700 -0.103 0.000 1.044 482 T CA 1.185 63.219 62.100 -0.110 0.000 1.139 482 T CB -0.990 67.852 68.868 -0.044 0.000 0.867 482 T HN 1.117 nan 8.240 nan 0.000 0.454 483 G N 1.414 110.148 108.800 -0.111 0.000 2.136 483 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.242 483 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.242 483 G C -0.178 174.692 174.900 -0.051 0.000 0.989 483 G CA 0.521 45.573 45.100 -0.080 0.000 0.682 483 G HN 1.097 nan 8.290 nan 0.000 0.522 484 E N -2.777 117.397 120.200 -0.044 0.000 2.425 484 E HA 0.783 5.133 4.350 -0.000 0.000 0.272 484 E C 0.185 176.772 176.600 -0.021 0.000 1.061 484 E CA -0.911 55.471 56.400 -0.030 0.000 0.877 484 E CB 0.313 29.994 29.700 -0.031 0.000 1.590 484 E HN 0.041 nan 8.360 nan 0.000 0.462 485 K N -0.622 119.768 120.400 -0.016 0.000 2.440 485 K HA 0.225 4.545 4.320 -0.000 0.000 0.207 485 K C 1.130 177.721 176.600 -0.014 0.000 1.112 485 K CA 0.206 56.487 56.287 -0.010 0.000 1.036 485 K CB 0.455 32.950 32.500 -0.009 0.000 0.935 485 K HN 0.516 nan 8.250 nan 0.000 0.564 486 E N 0.744 120.933 120.200 -0.018 0.000 2.007 486 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 486 E C 1.578 178.166 176.600 -0.021 0.000 0.999 486 E CA 1.711 58.099 56.400 -0.021 0.000 0.811 486 E CB -0.017 29.669 29.700 -0.022 0.000 0.762 486 E HN 0.338 nan 8.360 nan 0.000 0.450 487 M N -0.076 119.514 119.600 -0.015 0.000 2.156 487 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 487 M C 2.442 178.747 176.300 0.008 0.000 1.067 487 M CA 1.213 56.510 55.300 -0.006 0.000 1.131 487 M CB -0.322 32.277 32.600 -0.002 0.000 1.368 487 M HN 0.088 nan 8.290 nan 0.000 0.416 488 A N 1.059 123.890 122.820 0.019 0.000 1.870 488 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 488 A C 2.383 179.971 177.584 0.006 0.000 1.224 488 A CA 2.677 54.750 52.037 0.061 0.000 0.650 488 A CB -1.347 17.683 19.000 0.049 0.000 0.836 488 A HN 0.519 nan 8.150 nan 0.000 0.454 489 A N -0.834 121.969 122.820 -0.030 0.000 1.972 489 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 489 A C 1.941 179.448 177.584 -0.128 0.000 1.169 489 A CA 2.291 54.278 52.037 -0.084 0.000 0.635 489 A CB -0.513 18.456 19.000 -0.052 0.000 0.810 489 A HN 0.658 nan 8.150 nan 0.000 0.446 490 E N 0.330 120.479 120.200 -0.084 0.000 2.077 490 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 490 E C 1.752 178.286 176.600 -0.111 0.000 0.989 490 E CA 1.457 57.809 56.400 -0.080 0.000 0.800 490 E CB -0.466 29.209 29.700 -0.042 0.000 0.746 490 E HN 0.585 nan 8.360 nan 0.000 0.452 491 L N 0.115 121.279 121.223 -0.099 0.000 2.072 491 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 491 L C 2.683 179.270 176.870 -0.472 0.000 1.079 491 L CA 1.475 56.279 54.840 -0.061 0.000 0.752 491 L CB -0.392 41.798 42.059 0.219 0.000 0.906 491 L HN 0.146 nan 8.230 nan 0.000 0.436 492 K N 0.286 120.133 120.400 -0.922 0.000 2.074 492 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 492 K C 2.048 178.320 176.600 -0.547 0.000 1.048 492 K CA 1.567 57.097 56.287 -1.260 0.000 0.926 492 K CB -0.153 31.932 32.500 -0.691 0.000 0.713 492 K HN 0.307 nan 8.250 nan 0.000 0.444 493 A N 0.756 123.381 122.820 -0.326 0.000 1.978 493 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 493 A C 2.028 179.498 177.584 -0.190 0.000 1.170 493 A CA 1.447 53.367 52.037 -0.195 0.000 0.636 493 A CB -0.430 18.486 19.000 -0.141 0.000 0.810 493 A HN 0.323 nan 8.150 nan 0.000 0.448 494 L N -3.005 118.077 121.223 -0.235 0.000 2.071 494 L HA -0.034 4.306 4.340 -0.000 0.000 0.201 494 L C 2.366 179.059 176.870 -0.295 0.000 1.076 494 L CA 1.050 55.719 54.840 -0.285 0.000 0.755 494 L CB -0.526 41.315 42.059 -0.365 0.000 0.915 494 L HN 0.424 nan 8.230 nan 0.000 0.445 495 Y N -0.961 119.307 120.300 -0.053 0.000 2.519 495 Y HA -0.052 4.498 4.550 -0.000 0.000 0.287 495 Y C 2.228 178.236 175.900 0.180 0.000 1.128 495 Y CA 0.717 58.910 58.100 0.155 0.000 1.282 495 Y CB 0.146 38.892 38.460 0.476 0.000 1.027 495 Y HN 0.295 nan 8.280 nan 0.000 0.551 496 S N -0.251 115.505 115.700 0.093 0.000 2.859 496 S HA -0.346 4.124 4.470 -0.000 0.000 0.245 496 S C 0.379 175.178 174.600 0.332 0.000 1.352 496 S CA 1.825 60.087 58.200 0.104 0.000 2.857 496 S CB -1.722 61.527 63.200 0.081 0.000 1.421 496 S HN 0.551 nan 8.310 nan 0.000 0.495 497 D N 1.214 121.836 120.400 0.369 0.000 2.249 497 D HA 0.402 5.042 4.640 -0.000 0.000 0.246 497 D C 1.099 177.578 176.300 0.298 0.000 1.114 497 D CA 0.112 54.290 54.000 0.296 0.000 0.854 497 D CB 1.119 42.018 40.800 0.165 0.000 1.132 497 D HN 0.328 nan 8.370 nan 0.000 0.461 498 I N 3.959 124.569 120.570 0.067 0.000 2.208 498 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 498 I C 1.387 177.311 176.117 -0.321 0.000 1.097 498 I CA 1.502 62.466 61.300 -0.560 0.000 1.363 498 I CB -0.211 37.516 38.000 -0.454 0.000 1.051 498 I HN 0.428 nan 8.210 nan 0.000 0.413 499 D N 0.273 120.604 120.400 -0.115 0.000 2.126 499 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 499 D C 2.194 178.462 176.300 -0.053 0.000 1.001 499 D CA 1.915 55.872 54.000 -0.072 0.000 0.841 499 D CB -0.607 40.177 40.800 -0.026 0.000 0.949 499 D HN 0.306 nan 8.370 nan 0.000 0.446 500 V N 1.126 121.050 119.914 0.016 0.000 3.284 500 V HA -0.163 3.957 4.120 -0.000 0.000 0.273 500 V C 1.102 177.216 176.094 0.033 0.000 1.178 500 V CA 0.238 62.587 62.300 0.081 0.000 1.177 500 V CB -0.748 31.179 31.823 0.172 0.000 0.793 500 V HN 0.165 nan 8.190 nan 0.000 0.536 501 M N 1.188 120.687 119.600 -0.169 0.000 2.239 501 M HA 0.174 4.654 4.480 -0.000 0.000 0.348 501 M C 0.293 176.408 176.300 -0.309 0.000 1.239 501 M CA 0.081 55.073 55.300 -0.514 0.000 1.114 501 M CB -0.015 32.254 32.600 -0.552 0.000 1.641 501 M HN 0.279 nan 8.290 nan 0.000 0.453 502 E N 3.565 123.544 120.200 -0.367 0.000 2.366 502 E HA 0.071 4.421 4.350 -0.000 0.000 0.266 502 E C 0.653 177.222 176.600 -0.051 0.000 1.051 502 E CA -0.369 55.981 56.400 -0.084 0.000 0.884 502 E CB 0.916 30.630 29.700 0.024 0.000 1.006 502 E HN 0.809 nan 8.360 nan 0.000 0.417 503 L N 3.781 125.025 121.223 0.036 0.000 1.994 503 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 503 L C 2.136 179.013 176.870 0.012 0.000 1.071 503 L CA 1.819 56.672 54.840 0.021 0.000 0.745 503 L CB -0.537 41.518 42.059 -0.006 0.000 0.892 503 L HN 0.701 nan 8.230 nan 0.000 0.431 504 Y N 0.881 121.111 120.300 -0.117 0.000 2.049 504 Y HA -0.169 4.381 4.550 -0.000 0.000 0.277 504 Y C -0.484 175.385 175.900 -0.051 0.000 1.143 504 Y CA 1.986 60.019 58.100 -0.112 0.000 1.115 504 Y CB -1.989 36.364 38.460 -0.179 0.000 0.975 504 Y HN 0.210 nan 8.280 nan 0.000 0.487 505 P HA -0.247 nan 4.420 nan 0.000 0.214 505 P C 1.618 178.794 177.300 -0.206 0.000 1.163 505 P CA 2.871 65.791 63.100 -0.300 0.000 0.889 505 P CB -0.457 31.210 31.700 -0.054 0.000 0.790 506 A N -0.890 121.856 122.820 -0.125 0.000 1.997 506 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 506 A C 2.208 179.760 177.584 -0.054 0.000 1.172 506 A CA 1.675 53.669 52.037 -0.071 0.000 0.645 506 A CB -1.756 17.217 19.000 -0.045 0.000 0.813 506 A HN 0.135 nan 8.150 nan 0.000 0.454 507 L N -0.993 120.179 121.223 -0.084 0.000 2.046 507 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 507 L C 2.531 179.364 176.870 -0.061 0.000 1.077 507 L CA 1.192 55.998 54.840 -0.056 0.000 0.747 507 L CB -0.436 41.597 42.059 -0.042 0.000 0.896 507 L HN 0.396 nan 8.230 nan 0.000 0.432 508 L N -1.143 120.001 121.223 -0.133 0.000 2.131 508 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 508 L C 1.068 177.886 176.870 -0.085 0.000 1.087 508 L CA 0.349 55.121 54.840 -0.113 0.000 0.767 508 L CB -0.116 41.831 42.059 -0.186 0.000 0.917 508 L HN -0.002 nan 8.230 nan 0.000 0.441 509 V N 1.183 121.047 119.914 -0.084 0.000 2.224 509 V HA 0.171 4.291 4.120 -0.000 0.000 0.289 509 V C -0.074 175.992 176.094 -0.046 0.000 1.518 509 V CA -0.038 62.229 62.300 -0.055 0.000 1.533 509 V CB -0.397 31.406 31.823 -0.034 0.000 1.460 509 V HN 0.253 nan 8.190 nan 0.000 0.515 510 E N 2.049 122.222 120.200 -0.046 0.000 2.331 510 E HA 0.325 4.675 4.350 -0.000 0.000 0.275 510 E C -0.348 176.225 176.600 -0.046 0.000 0.895 510 E CA -0.944 55.433 56.400 -0.039 0.000 0.753 510 E CB 1.693 31.400 29.700 0.011 0.000 1.216 510 E HN 0.364 nan 8.360 nan 0.000 0.434 511 K N 4.948 125.310 120.400 -0.064 0.000 2.366 511 K HA 0.100 4.420 4.320 -0.000 0.000 0.279 511 K C -2.339 174.239 176.600 -0.038 0.000 1.098 511 K CA -0.819 55.434 56.287 -0.057 0.000 1.087 511 K CB 0.182 32.641 32.500 -0.069 0.000 0.901 511 K HN 0.174 nan 8.250 nan 0.000 0.463 512 P HA 0.031 nan 4.420 nan 0.000 0.271 512 P C -0.850 176.422 177.300 -0.046 0.000 1.218 512 P CA -0.046 63.020 63.100 -0.056 0.000 0.780 512 P CB 0.564 32.210 31.700 -0.091 0.000 0.901 513 R N 3.942 124.405 120.500 -0.060 0.000 2.594 513 R HA 0.175 4.515 4.340 -0.000 0.000 0.272 513 R C -1.767 174.528 176.300 -0.009 0.000 1.074 513 R CA -1.162 54.909 56.100 -0.049 0.000 1.105 513 R CB -0.957 29.222 30.300 -0.201 0.000 1.008 513 R HN 0.445 nan 8.270 nan 0.000 0.472 514 P HA -0.301 nan 4.420 nan 0.000 0.265 514 P C -0.492 176.795 177.300 -0.022 0.000 1.233 514 P CA 1.370 64.491 63.100 0.036 0.000 1.267 514 P CB 0.039 31.792 31.700 0.089 0.000 0.691 515 D N -0.551 119.826 120.400 -0.038 0.000 3.038 515 D HA 0.416 5.056 4.640 -0.000 0.000 0.243 515 D C 0.054 176.277 176.300 -0.128 0.000 1.245 515 D CA 0.088 54.039 54.000 -0.082 0.000 0.871 515 D CB -0.682 40.070 40.800 -0.080 0.000 1.089 515 D HN 0.299 nan 8.370 nan 0.000 0.464 516 A N 0.043 122.785 122.820 -0.131 0.000 2.330 516 A HA 0.466 4.786 4.320 -0.000 0.000 0.329 516 A C 0.906 178.318 177.584 -0.288 0.000 1.135 516 A CA -0.751 51.164 52.037 -0.202 0.000 0.817 516 A CB 0.913 19.834 19.000 -0.131 0.000 1.269 516 A HN 0.372 nan 8.150 nan 0.000 0.469 517 I N -0.608 119.673 120.570 -0.482 0.000 2.761 517 I HA 0.110 4.280 4.170 -0.000 0.000 0.261 517 I C -0.632 175.091 176.117 -0.658 0.000 1.198 517 I CA 0.857 61.747 61.300 -0.684 0.000 1.482 517 I CB -0.145 37.233 38.000 -1.037 0.000 1.100 517 I HN 0.510 nan 8.210 nan 0.000 0.445 518 F N -0.556 119.258 119.950 -0.226 0.000 2.664 518 F HA 0.695 5.222 4.527 -0.000 0.000 0.329 518 F C 0.592 176.304 175.800 -0.147 0.000 1.090 518 F CA -0.950 56.934 58.000 -0.193 0.000 0.978 518 F CB 0.495 39.385 39.000 -0.183 0.000 1.378 518 F HN -0.299 nan 8.300 nan 0.000 0.495 519 G N -0.710 108.162 108.800 0.121 0.000 2.511 519 G HA2 0.356 4.316 3.960 -0.000 0.000 0.318 519 G HA3 0.356 4.316 3.960 -0.000 0.000 0.318 519 G C 0.355 175.267 174.900 0.020 0.000 1.210 519 G CA -0.452 44.667 45.100 0.032 0.000 0.969 519 G HN 0.722 nan 8.290 nan 0.000 0.484 520 E N -0.077 120.121 120.200 -0.003 0.000 2.172 520 E HA -0.277 4.072 4.350 -0.000 0.000 0.213 520 E C 2.152 178.742 176.600 -0.017 0.000 1.051 520 E CA 2.401 58.798 56.400 -0.006 0.000 0.860 520 E CB -0.230 29.481 29.700 0.018 0.000 0.755 520 E HN 0.489 nan 8.360 nan 0.000 0.462 521 T N 1.018 115.564 114.554 -0.013 0.000 2.580 521 T HA -0.261 4.089 4.350 -0.000 0.000 0.265 521 T C 1.819 176.461 174.700 -0.097 0.000 1.063 521 T CA 2.137 64.201 62.100 -0.061 0.000 1.170 521 T CB -0.416 68.427 68.868 -0.041 0.000 0.863 521 T HN 0.272 nan 8.240 nan 0.000 0.418 522 M N 0.850 120.392 119.600 -0.095 0.000 2.089 522 M HA -0.135 4.344 4.480 -0.000 0.000 0.257 522 M C 2.106 178.282 176.300 -0.207 0.000 1.071 522 M CA 1.572 56.757 55.300 -0.192 0.000 1.096 522 M CB -0.589 31.815 32.600 -0.327 0.000 1.330 522 M HN 0.092 nan 8.290 nan 0.000 0.403 523 V N 0.147 119.989 119.914 -0.119 0.000 2.307 523 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 523 V C 2.401 178.474 176.094 -0.034 0.000 1.045 523 V CA 1.839 64.115 62.300 -0.040 0.000 1.024 523 V CB -0.844 31.017 31.823 0.064 0.000 0.651 523 V HN 0.435 nan 8.190 nan 0.000 0.449 524 E N 0.194 120.365 120.200 -0.048 0.000 2.160 524 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 524 E C 2.099 178.576 176.600 -0.206 0.000 0.991 524 E CA 1.138 57.505 56.400 -0.056 0.000 0.810 524 E CB -0.203 29.486 29.700 -0.018 0.000 0.742 524 E HN 0.499 nan 8.360 nan 0.000 0.466 525 L N -1.096 119.894 121.223 -0.388 0.000 2.298 525 L HA 0.134 4.474 4.340 -0.000 0.000 0.209 525 L C 2.254 178.795 176.870 -0.548 0.000 1.084 525 L CA 1.052 55.344 54.840 -0.913 0.000 0.816 525 L CB -0.553 41.041 42.059 -0.774 0.000 0.967 525 L HN 0.121 nan 8.230 nan 0.000 0.460 526 G N -0.191 108.545 108.800 -0.108 0.000 2.459 526 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.213 526 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.213 526 G C 1.801 176.787 174.900 0.144 0.000 1.155 526 G CA 0.656 45.902 45.100 0.243 0.000 0.811 526 G HN 0.341 nan 8.290 nan 0.000 0.534 527 A N 1.731 124.589 122.820 0.062 0.000 1.948 527 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 527 A C 0.634 178.230 177.584 0.021 0.000 1.177 527 A CA 2.083 54.173 52.037 0.089 0.000 0.636 527 A CB -1.144 17.910 19.000 0.090 0.000 0.815 527 A HN 0.379 nan 8.150 nan 0.000 0.449 528 P HA -0.091 nan 4.420 nan 0.000 0.213 528 P C 1.085 178.302 177.300 -0.138 0.000 1.170 528 P CA 0.961 63.988 63.100 -0.122 0.000 0.889 528 P CB -0.232 31.368 31.700 -0.167 0.000 0.782 529 F N -0.236 119.537 119.950 -0.295 0.000 2.115 529 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 529 F C 2.711 178.093 175.800 -0.698 0.000 1.092 529 F CA 1.644 59.222 58.000 -0.702 0.000 1.245 529 F CB -1.749 36.306 39.000 -1.575 0.000 0.995 529 F HN -0.057 nan 8.300 nan 0.000 0.481 530 S N -0.193 115.388 115.700 -0.198 0.000 2.368 530 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 530 S C 2.071 176.765 174.600 0.156 0.000 1.029 530 S CA 0.910 59.251 58.200 0.235 0.000 0.988 530 S CB -0.350 63.184 63.200 0.557 0.000 0.838 530 S HN 0.303 nan 8.310 nan 0.000 0.462 531 L N 0.612 121.897 121.223 0.102 0.000 2.179 531 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 531 L C 2.727 179.656 176.870 0.098 0.000 1.096 531 L CA 0.769 55.667 54.840 0.098 0.000 0.779 531 L CB -0.334 41.779 42.059 0.090 0.000 0.922 531 L HN 0.154 nan 8.230 nan 0.000 0.443 532 K N 0.650 121.092 120.400 0.070 0.000 2.062 532 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 532 K C 1.957 178.582 176.600 0.042 0.000 1.051 532 K CA 1.374 57.712 56.287 0.085 0.000 0.941 532 K CB -0.295 32.207 32.500 0.004 0.000 0.719 532 K HN 0.332 nan 8.250 nan 0.000 0.440 533 G N 0.511 109.290 108.800 -0.034 0.000 2.534 533 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 533 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 533 G C 1.408 176.268 174.900 -0.067 0.000 1.128 533 G CA 0.140 45.171 45.100 -0.114 0.000 0.784 533 G HN 0.136 nan 8.290 nan 0.000 0.542 534 L N -0.001 121.231 121.223 0.013 0.000 2.145 534 L HA 0.302 4.641 4.340 -0.000 0.000 0.201 534 L C 2.622 179.523 176.870 0.051 0.000 1.075 534 L CA 1.062 55.917 54.840 0.025 0.000 0.773 534 L CB -0.279 41.805 42.059 0.042 0.000 0.936 534 L HN 0.072 nan 8.230 nan 0.000 0.451 535 M N -1.139 118.513 119.600 0.086 0.000 2.447 535 M HA 0.183 4.663 4.480 -0.000 0.000 0.264 535 M C 1.368 177.792 176.300 0.207 0.000 1.095 535 M CA 0.570 55.908 55.300 0.064 0.000 1.125 535 M CB -1.377 31.128 32.600 -0.158 0.000 1.389 535 M HN 0.259 nan 8.290 nan 0.000 0.459 536 G N 1.948 110.931 108.800 0.305 0.000 3.581 536 G HA2 0.038 3.998 3.960 -0.000 0.000 0.255 536 G HA3 0.038 3.998 3.960 -0.000 0.000 0.255 536 G C -0.042 174.982 174.900 0.206 0.000 1.121 536 G CA -0.221 45.037 45.100 0.263 0.000 1.739 536 G HN 0.316 nan 8.290 nan 0.000 0.646 537 N N 0.556 119.425 118.700 0.281 0.000 2.314 537 N HA 0.312 5.052 4.740 -0.000 0.000 0.304 537 N C -1.563 174.088 175.510 0.235 0.000 1.073 537 N CA -1.913 51.253 53.050 0.194 0.000 0.822 537 N CB 3.353 41.924 38.487 0.141 0.000 1.280 537 N HN -0.129 nan 8.380 nan 0.000 0.489 538 P HA -0.175 nan 4.420 nan 0.000 0.216 538 P C 1.516 178.688 177.300 -0.212 0.000 1.153 538 P CA 1.479 64.448 63.100 -0.220 0.000 0.858 538 P CB -0.083 31.285 31.700 -0.555 0.000 0.789 539 I N -2.753 117.811 120.570 -0.010 0.000 2.800 539 I HA -0.147 4.023 4.170 -0.000 0.000 0.266 539 I C 1.839 178.324 176.117 0.613 0.000 1.249 539 I CA 1.453 62.992 61.300 0.398 0.000 1.458 539 I CB -1.470 36.913 38.000 0.638 0.000 1.093 539 I HN -0.124 nan 8.210 nan 0.000 0.466 540 C N 0.874 120.435 119.300 0.434 0.000 2.634 540 C HA 0.209 4.669 4.460 -0.000 0.000 0.268 540 C C 1.770 177.007 174.990 0.412 0.000 1.322 540 C CA 0.221 59.488 59.018 0.415 0.000 1.737 540 C CB -1.435 26.570 27.740 0.442 0.000 1.976 540 C HN 0.702 nan 8.230 nan 0.000 0.547 541 S N 2.305 118.032 115.700 0.045 0.000 2.573 541 S HA 0.106 4.576 4.470 -0.000 0.000 0.277 541 S C -1.730 172.871 174.600 0.001 0.000 1.346 541 S CA -0.444 57.473 58.200 -0.470 0.000 1.034 541 S CB 0.327 63.278 63.200 -0.415 0.000 0.879 541 S HN 0.137 nan 8.310 nan 0.000 0.528 542 P HA -0.140 nan 4.420 nan 0.000 0.216 542 P C 1.259 178.495 177.300 -0.107 0.000 1.150 542 P CA 1.293 64.158 63.100 -0.391 0.000 0.837 542 P CB -0.045 31.249 31.700 -0.677 0.000 0.786 543 Q N -1.861 117.898 119.800 -0.067 0.000 2.084 543 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 543 Q C 1.871 177.808 176.000 -0.105 0.000 0.978 543 Q CA 1.626 57.378 55.803 -0.084 0.000 0.844 543 Q CB -1.165 27.527 28.738 -0.076 0.000 0.898 543 Q HN 0.382 nan 8.270 nan 0.000 0.426 544 Y N -1.193 119.105 120.300 -0.004 0.000 2.314 544 Y HA -0.049 4.501 4.550 -0.000 0.000 0.294 544 Y C 0.794 176.778 175.900 0.140 0.000 1.119 544 Y CA 0.135 58.255 58.100 0.033 0.000 1.179 544 Y CB 0.039 38.570 38.460 0.117 0.000 1.025 544 Y HN 0.250 nan 8.280 nan 0.000 0.541 545 W N 5.016 126.475 121.300 0.264 0.000 1.539 545 W HA 0.161 4.821 4.660 -0.000 0.000 0.502 545 W C -0.507 176.110 176.519 0.162 0.000 0.689 545 W CA 0.239 57.811 57.345 0.378 0.000 2.088 545 W CB -0.668 29.124 29.460 0.553 0.000 1.686 545 W HN 0.082 nan 8.180 nan 0.000 0.211 546 K N 2.735 122.926 120.400 -0.348 0.000 2.546 546 K HA 0.354 4.674 4.320 -0.000 0.000 0.264 546 K C -2.643 173.444 176.600 -0.854 0.000 0.937 546 K CA -1.555 54.376 56.287 -0.594 0.000 0.833 546 K CB 1.669 33.997 32.500 -0.287 0.000 1.378 546 K HN -0.244 nan 8.250 nan 0.000 0.432 547 P HA -0.373 nan 4.420 nan 0.000 0.216 547 P C 1.364 178.496 177.300 -0.281 0.000 1.167 547 P CA 2.767 65.478 63.100 -0.649 0.000 0.933 547 P CB -0.021 31.498 31.700 -0.301 0.000 0.793 548 S N -2.173 113.391 115.700 -0.227 0.000 2.419 548 S HA -0.176 4.294 4.470 -0.000 0.000 0.235 548 S C 1.811 176.290 174.600 -0.201 0.000 1.019 548 S CA 2.026 60.148 58.200 -0.130 0.000 0.982 548 S CB -2.016 61.118 63.200 -0.109 0.000 0.789 548 S HN 0.164 nan 8.310 nan 0.000 0.490 549 T N 1.284 115.581 114.554 -0.427 0.000 2.881 549 T HA 0.040 4.390 4.350 -0.000 0.000 0.270 549 T C 0.556 174.833 174.700 -0.706 0.000 1.068 549 T CA 1.170 62.873 62.100 -0.661 0.000 1.131 549 T CB -0.444 67.823 68.868 -1.001 0.000 0.871 549 T HN 0.600 nan 8.240 nan 0.000 0.479 550 F N -0.118 119.840 119.950 0.014 0.000 2.661 550 F HA 0.502 5.029 4.527 -0.000 0.000 0.306 550 F C 1.739 177.670 175.800 0.219 0.000 1.094 550 F CA -0.432 57.645 58.000 0.127 0.000 1.254 550 F CB 0.156 39.253 39.000 0.161 0.000 1.040 550 F HN 0.203 nan 8.300 nan 0.000 0.562 551 G N -0.313 108.698 108.800 0.352 0.000 2.179 551 G HA2 0.195 4.155 3.960 -0.000 0.000 0.220 551 G HA3 0.195 4.155 3.960 -0.000 0.000 0.220 551 G C 0.503 175.584 174.900 0.303 0.000 0.990 551 G CA -0.194 45.170 45.100 0.440 0.000 0.646 551 G HN 1.121 nan 8.290 nan 0.000 0.517 552 G N -1.083 107.839 108.800 0.203 0.000 2.347 552 G HA2 0.430 4.389 3.960 -0.000 0.000 0.341 552 G HA3 0.430 4.389 3.960 -0.000 0.000 0.341 552 G C -0.063 174.915 174.900 0.130 0.000 1.287 552 G CA 0.518 45.692 45.100 0.124 0.000 0.984 552 G HN 0.736 nan 8.290 nan 0.000 0.526 553 E N -0.959 119.301 120.200 0.099 0.000 2.338 553 E HA 0.041 4.391 4.350 -0.000 0.000 0.197 553 E C 2.411 179.100 176.600 0.149 0.000 1.007 553 E CA 1.665 58.156 56.400 0.151 0.000 0.849 553 E CB 0.239 29.999 29.700 0.101 0.000 0.774 553 E HN 0.847 nan 8.360 nan 0.000 0.506 554 V N -0.701 119.271 119.914 0.098 0.000 2.283 554 V HA -0.067 4.052 4.120 -0.000 0.000 0.243 554 V C 1.979 178.140 176.094 0.112 0.000 1.039 554 V CA 2.259 64.601 62.300 0.071 0.000 1.016 554 V CB -0.597 31.235 31.823 0.015 0.000 0.650 554 V HN 0.379 nan 8.190 nan 0.000 0.449 555 G N -1.276 107.622 108.800 0.163 0.000 2.422 555 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 555 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 555 G C 1.545 176.584 174.900 0.232 0.000 1.146 555 G CA 0.986 46.211 45.100 0.209 0.000 0.769 555 G HN 0.515 nan 8.290 nan 0.000 0.547 556 F N 1.530 121.513 119.950 0.055 0.000 2.134 556 F HA 0.047 4.574 4.527 -0.000 0.000 0.299 556 F C 2.447 178.196 175.800 -0.085 0.000 1.097 556 F CA 1.131 59.091 58.000 -0.068 0.000 1.264 556 F CB -0.147 38.829 39.000 -0.040 0.000 1.001 556 F HN -0.023 nan 8.300 nan 0.000 0.479 557 K N 0.752 121.172 120.400 0.033 0.000 2.057 557 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 557 K C 2.174 178.753 176.600 -0.036 0.000 1.049 557 K CA 1.355 57.606 56.287 -0.061 0.000 0.931 557 K CB -0.868 31.628 32.500 -0.006 0.000 0.714 557 K HN 0.304 nan 8.250 nan 0.000 0.440 558 I N 0.418 120.997 120.570 0.016 0.000 2.290 558 I HA -0.349 3.821 4.170 -0.000 0.000 0.253 558 I C 1.978 178.116 176.117 0.034 0.000 1.112 558 I CA 1.378 62.700 61.300 0.035 0.000 1.377 558 I CB -0.369 37.671 38.000 0.066 0.000 1.060 558 I HN 0.118 nan 8.210 nan 0.000 0.428 559 I N 0.364 120.929 120.570 -0.009 0.000 2.296 559 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 559 I C 1.797 177.949 176.117 0.058 0.000 1.087 559 I CA 0.998 62.316 61.300 0.029 0.000 1.393 559 I CB -0.459 37.511 38.000 -0.050 0.000 1.093 559 I HN 0.223 nan 8.210 nan 0.000 0.421 560 N N 0.884 119.535 118.700 -0.082 0.000 2.609 560 N HA -0.075 4.664 4.740 -0.000 0.000 0.190 560 N C 0.829 176.333 175.510 -0.010 0.000 1.157 560 N CA 1.329 54.342 53.050 -0.062 0.000 0.918 560 N CB -0.097 38.230 38.487 -0.267 0.000 0.978 560 N HN 0.490 nan 8.380 nan 0.000 0.448 561 T N -3.733 110.826 114.554 0.008 0.000 3.399 561 T HA 0.489 4.839 4.350 -0.000 0.000 0.305 561 T C 0.293 175.010 174.700 0.029 0.000 0.983 561 T CA -0.638 61.470 62.100 0.014 0.000 0.967 561 T CB 0.204 69.071 68.868 -0.002 0.000 1.186 561 T HN 0.085 nan 8.240 nan 0.000 0.504 562 A N 1.762 124.617 122.820 0.058 0.000 2.386 562 A HA 0.799 5.119 4.320 -0.000 0.000 0.248 562 A C 0.563 178.175 177.584 0.047 0.000 1.082 562 A CA -0.083 51.995 52.037 0.068 0.000 0.789 562 A CB 0.245 19.320 19.000 0.124 0.000 1.025 562 A HN 1.400 nan 8.150 nan 0.000 0.490 563 S N 0.310 116.023 115.700 0.021 0.000 2.565 563 S HA 0.337 4.807 4.470 -0.000 0.000 0.274 563 S C 0.145 174.708 174.600 -0.062 0.000 1.144 563 S CA -0.082 58.105 58.200 -0.021 0.000 0.849 563 S CB 0.312 63.483 63.200 -0.049 0.000 1.103 563 S HN 1.258 nan 8.310 nan 0.000 0.455 564 I N 1.372 121.862 120.570 -0.133 0.000 2.454 564 I HA -0.029 4.140 4.170 -0.000 0.000 0.254 564 I C 2.329 178.307 176.117 -0.230 0.000 1.156 564 I CA 1.857 63.043 61.300 -0.191 0.000 1.433 564 I CB -0.420 37.255 38.000 -0.542 0.000 1.082 564 I HN 0.898 nan 8.210 nan 0.000 0.432 565 Q N 0.116 119.769 119.800 -0.246 0.000 2.049 565 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 565 Q C 2.266 178.180 176.000 -0.144 0.000 0.971 565 Q CA 2.342 58.008 55.803 -0.229 0.000 0.833 565 Q CB -0.360 28.252 28.738 -0.210 0.000 0.896 565 Q HN 0.514 nan 8.270 nan 0.000 0.434 566 S N 0.372 116.009 115.700 -0.105 0.000 2.383 566 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 566 S C 1.701 176.241 174.600 -0.100 0.000 1.026 566 S CA 0.945 59.099 58.200 -0.077 0.000 0.981 566 S CB -0.444 62.728 63.200 -0.047 0.000 0.818 566 S HN 0.388 nan 8.310 nan 0.000 0.472 567 L N 1.262 122.411 121.223 -0.124 0.000 2.043 567 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 567 L C 1.825 178.576 176.870 -0.198 0.000 1.075 567 L CA 1.660 56.380 54.840 -0.199 0.000 0.752 567 L CB -0.472 41.440 42.059 -0.245 0.000 0.891 567 L HN 0.185 nan 8.230 nan 0.000 0.432 568 I N -1.963 118.513 120.570 -0.157 0.000 2.339 568 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 568 I C 2.628 178.675 176.117 -0.117 0.000 1.096 568 I CA 1.124 62.337 61.300 -0.145 0.000 1.408 568 I CB -0.831 37.088 38.000 -0.134 0.000 1.092 568 I HN 0.377 nan 8.210 nan 0.000 0.423 569 c N 1.342 119.883 118.600 -0.098 0.000 2.385 569 c HA -0.220 4.350 4.570 -0.000 0.000 0.275 569 c C 2.572 176.622 174.090 -0.067 0.000 1.207 569 c CA 1.501 57.790 56.329 -0.067 0.000 1.760 569 c CB -1.259 41.220 42.510 -0.052 0.000 2.051 569 c HN 0.530 nan 8.230 nan 0.000 0.467 570 N N 0.675 119.330 118.700 -0.076 0.000 2.467 570 N HA 0.018 4.758 4.740 -0.000 0.000 0.184 570 N C 0.743 176.199 175.510 -0.090 0.000 1.106 570 N CA 0.670 53.678 53.050 -0.071 0.000 0.892 570 N CB -0.362 38.088 38.487 -0.062 0.000 0.969 570 N HN 0.679 nan 8.380 nan 0.000 0.454 571 N N -0.262 118.368 118.700 -0.116 0.000 2.143 571 N HA 0.105 4.845 4.740 -0.000 0.000 0.222 571 N C -0.557 174.862 175.510 -0.152 0.000 1.264 571 N CA 0.110 53.076 53.050 -0.140 0.000 0.897 571 N CB 2.001 40.386 38.487 -0.169 0.000 1.092 571 N HN -0.104 nan 8.380 nan 0.000 0.516 572 V N 1.009 120.848 119.914 -0.126 0.000 2.715 572 V HA 0.237 4.357 4.120 -0.000 0.000 0.310 572 V C 1.476 177.520 176.094 -0.082 0.000 1.054 572 V CA -0.738 61.492 62.300 -0.117 0.000 0.928 572 V CB 2.546 34.307 31.823 -0.104 0.000 1.007 572 V HN -0.165 nan 8.190 nan 0.000 0.437 573 K N 2.790 123.146 120.400 -0.072 0.000 2.044 573 K HA -0.173 4.147 4.320 -0.000 0.000 0.224 573 K C 0.907 177.489 176.600 -0.030 0.000 1.056 573 K CA 2.171 58.431 56.287 -0.046 0.000 0.962 573 K CB -0.773 31.709 32.500 -0.029 0.000 0.730 573 K HN 0.982 nan 8.250 nan 0.000 0.453 574 G N -2.496 106.292 108.800 -0.020 0.000 2.705 574 G HA2 0.300 4.260 3.960 -0.000 0.000 0.299 574 G HA3 0.300 4.260 3.960 -0.000 0.000 0.299 574 G C -0.927 173.966 174.900 -0.012 0.000 1.315 574 G CA -0.447 44.647 45.100 -0.009 0.000 1.045 574 G HN 0.331 nan 8.290 nan 0.000 0.517 575 c N 1.966 120.566 118.600 0.001 0.000 2.560 575 c HA 0.336 4.906 4.570 -0.000 0.000 0.506 575 c C -2.036 172.071 174.090 0.028 0.000 1.116 575 c CA -1.375 54.955 56.329 0.000 0.000 1.425 575 c CB -1.246 41.269 42.510 0.008 0.000 1.543 575 c HN 0.358 nan 8.230 nan 0.000 0.586 576 P HA -0.065 nan 4.420 nan 0.000 0.258 576 P C -0.021 177.322 177.300 0.070 0.000 1.187 576 P CA 0.160 63.292 63.100 0.053 0.000 0.767 576 P CB 0.035 31.750 31.700 0.024 0.000 0.770 577 F N 4.820 124.756 119.950 -0.024 0.000 2.602 577 F HA 0.220 4.746 4.527 -0.000 0.000 0.367 577 F C 0.362 176.145 175.800 -0.029 0.000 1.126 577 F CA 0.910 58.891 58.000 -0.031 0.000 1.321 577 F CB 0.372 39.356 39.000 -0.026 0.000 1.094 577 F HN 0.385 nan 8.300 nan 0.000 0.594 578 T N 2.040 116.002 114.554 -0.985 0.000 2.696 578 T HA 0.714 5.064 4.350 -0.000 0.000 0.291 578 T C -0.705 173.385 174.700 -1.016 0.000 1.095 578 T CA -0.545 61.108 62.100 -0.745 0.000 1.026 578 T CB 1.384 70.038 68.868 -0.357 0.000 1.390 578 T HN 0.908 nan 8.240 nan 0.000 0.513 579 S N -1.489 113.865 115.700 -0.578 0.000 2.688 579 S HA 0.428 4.897 4.470 -0.000 0.000 0.266 579 S C -1.578 172.819 174.600 -0.338 0.000 1.061 579 S CA -0.704 57.171 58.200 -0.542 0.000 0.844 579 S CB 0.120 63.117 63.200 -0.339 0.000 1.103 579 S HN 0.522 nan 8.310 nan 0.000 0.471 580 F N 2.132 121.999 119.950 -0.137 0.000 2.692 580 F HA 0.487 5.014 4.527 -0.000 0.000 0.303 580 F C 0.892 176.490 175.800 -0.336 0.000 1.114 580 F CA -0.412 57.475 58.000 -0.189 0.000 1.361 580 F CB -0.198 38.645 39.000 -0.261 0.000 1.063 580 F HN 0.423 nan 8.300 nan 0.000 0.550 581 N N -0.167 118.521 118.700 -0.022 0.000 2.314 581 N HA 0.155 4.895 4.740 -0.000 0.000 0.294 581 N C -0.691 174.859 175.510 0.067 0.000 1.029 581 N CA -0.319 52.752 53.050 0.036 0.000 0.845 581 N CB 2.175 40.728 38.487 0.110 0.000 1.321 581 N HN -0.155 nan 8.380 nan 0.000 0.481 582 V N 5.723 125.673 119.914 0.061 0.000 1.984 582 V HA 0.109 4.229 4.120 -0.000 0.000 0.272 582 V C -0.162 175.974 176.094 0.071 0.000 1.706 582 V CA 0.004 62.347 62.300 0.072 0.000 1.644 582 V CB -1.698 30.157 31.823 0.053 0.000 1.509 582 V HN 0.841 nan 8.190 nan 0.000 0.511 583 Q N 0.000 119.859 119.800 0.098 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 583 Q CA 0.000 55.854 55.803 0.085 0.000 1.022 583 Q CB 0.000 28.781 28.738 0.072 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481