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 5cox_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 0.000 177.637 177.584 0.088 0.000 1.274 33 A CA 0.000 52.079 52.037 0.070 0.000 0.836 33 A CB 0.000 19.050 19.000 0.083 0.000 0.831 34 N N 2.712 121.461 118.700 0.081 0.000 2.365 34 N HA 0.107 4.847 4.740 -0.000 0.000 0.265 34 N C -0.873 174.678 175.510 0.067 0.000 1.288 34 N CA -0.507 52.593 53.050 0.084 0.000 0.869 34 N CB 0.878 39.403 38.487 0.064 0.000 1.071 34 N HN 0.232 nan 8.380 nan 0.000 0.480 35 P HA -0.174 nan 4.420 nan 0.000 0.217 35 P C 0.817 178.103 177.300 -0.024 0.000 1.148 35 P CA 1.101 64.266 63.100 0.109 0.000 0.834 35 P CB -0.043 31.802 31.700 0.242 0.000 0.783 36 c N -1.105 117.486 118.600 -0.015 0.000 2.437 36 c HA -0.049 4.521 4.570 -0.000 0.000 0.283 36 c C 3.030 177.043 174.090 -0.128 0.000 1.424 36 c CA 0.147 56.405 56.329 -0.118 0.000 1.782 36 c CB -2.228 40.267 42.510 -0.025 0.000 1.833 36 c HN 0.358 nan 8.230 nan 0.000 0.532 37 c N 1.437 119.996 118.600 -0.068 0.000 2.369 37 c HA -0.191 4.379 4.570 -0.000 0.000 0.273 37 c C 2.861 176.902 174.090 -0.083 0.000 1.172 37 c CA 2.277 58.572 56.329 -0.055 0.000 1.791 37 c CB -1.427 41.071 42.510 -0.021 0.000 2.086 37 c HN 0.806 nan 8.230 nan 0.000 0.459 38 S N 0.150 115.781 115.700 -0.115 0.000 2.720 38 S HA 0.007 4.477 4.470 -0.000 0.000 0.222 38 S C 0.441 174.948 174.600 -0.156 0.000 0.958 38 S CA 0.486 58.615 58.200 -0.119 0.000 0.943 38 S CB -1.128 62.005 63.200 -0.113 0.000 0.779 38 S HN 0.763 nan 8.310 nan 0.000 0.526 39 N N 1.191 119.786 118.700 -0.175 0.000 2.716 39 N HA -0.121 4.619 4.740 -0.000 0.000 0.250 39 N C -2.086 173.304 175.510 -0.199 0.000 1.033 39 N CA 0.682 53.626 53.050 -0.177 0.000 0.727 39 N CB -1.270 37.133 38.487 -0.141 0.000 0.950 39 N HN 0.475 nan 8.380 nan 0.000 0.541 40 P HA -0.117 nan 4.420 nan 0.000 0.216 40 P C 0.343 177.567 177.300 -0.125 0.000 1.154 40 P CA 1.035 63.958 63.100 -0.295 0.000 0.865 40 P CB 0.088 31.313 31.700 -0.792 0.000 0.789 41 c N 1.341 119.879 118.600 -0.103 0.000 2.663 41 c HA 0.200 4.770 4.570 -0.000 0.000 0.379 41 c C 1.020 175.075 174.090 -0.059 0.000 1.255 41 c CA -0.540 55.781 56.329 -0.014 0.000 1.503 41 c CB -2.464 40.068 42.510 0.036 0.000 2.187 41 c HN 0.244 nan 8.230 nan 0.000 0.580 42 Q N 1.752 121.513 119.800 -0.065 0.000 2.526 42 Q HA 0.186 4.526 4.340 -0.000 0.000 0.207 42 Q C 1.052 176.952 176.000 -0.165 0.000 1.078 42 Q CA 0.468 56.197 55.803 -0.124 0.000 1.041 42 Q CB 0.272 28.928 28.738 -0.137 0.000 1.228 42 Q HN 0.630 nan 8.270 nan 0.000 0.603 43 N N 0.657 119.197 118.700 -0.266 0.000 2.708 43 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 43 N C -0.707 174.707 175.510 -0.160 0.000 1.097 43 N CA 1.304 54.143 53.050 -0.352 0.000 0.710 43 N CB -0.536 37.518 38.487 -0.722 0.000 1.032 43 N HN 0.673 nan 8.380 nan 0.000 0.551 44 R N -3.114 117.320 120.500 -0.110 0.000 3.936 44 R HA -0.147 4.193 4.340 -0.000 0.000 0.366 44 R C 0.784 177.082 176.300 -0.004 0.000 1.158 44 R CA 1.107 57.175 56.100 -0.054 0.000 0.969 44 R CB -1.554 28.731 30.300 -0.026 0.000 1.504 44 R HN 0.446 nan 8.270 nan 0.000 0.538 45 G N 0.047 108.845 108.800 -0.002 0.000 2.616 45 G HA2 0.374 4.334 3.960 -0.000 0.000 0.268 45 G HA3 0.374 4.334 3.960 -0.000 0.000 0.268 45 G C -0.588 174.338 174.900 0.044 0.000 1.213 45 G CA -0.504 44.621 45.100 0.042 0.000 0.926 45 G HN 0.256 nan 8.290 nan 0.000 0.523 46 E N -0.909 119.336 120.200 0.075 0.000 2.145 46 E HA 0.268 4.618 4.350 -0.000 0.000 0.270 46 E C -0.935 175.727 176.600 0.103 0.000 0.906 46 E CA -0.572 55.882 56.400 0.090 0.000 0.761 46 E CB 1.988 31.764 29.700 0.127 0.000 1.116 46 E HN 0.368 nan 8.360 nan 0.000 0.408 47 c N 4.766 123.417 118.600 0.086 0.000 2.514 47 c HA 0.580 5.150 4.570 -0.000 0.000 0.392 47 c C -0.115 174.058 174.090 0.139 0.000 1.294 47 c CA -0.383 56.020 56.329 0.124 0.000 1.957 47 c CB -1.059 41.470 42.510 0.032 0.000 2.541 47 c HN 0.829 nan 8.230 nan 0.000 0.569 48 M N 5.836 125.540 119.600 0.173 0.000 2.327 48 M HA 0.537 5.017 4.480 -0.000 0.000 0.298 48 M C -0.062 176.326 176.300 0.147 0.000 1.065 48 M CA -0.115 55.268 55.300 0.138 0.000 0.916 48 M CB 1.804 34.466 32.600 0.103 0.000 1.630 48 M HN 0.611 nan 8.290 nan 0.000 0.442 49 S N 1.830 117.602 115.700 0.121 0.000 2.562 49 S HA 0.464 4.934 4.470 -0.000 0.000 0.281 49 S C 0.491 175.120 174.600 0.048 0.000 1.333 49 S CA 0.088 58.350 58.200 0.104 0.000 1.052 49 S CB 0.148 63.391 63.200 0.070 0.000 0.884 49 S HN 1.004 nan 8.310 nan 0.000 0.506 50 T N -2.500 112.075 114.554 0.035 0.000 3.633 50 T HA 0.618 4.968 4.350 -0.000 0.000 0.278 50 T C 0.512 175.197 174.700 -0.025 0.000 0.991 50 T CA -0.161 61.934 62.100 -0.008 0.000 1.036 50 T CB -0.251 68.612 68.868 -0.009 0.000 1.148 50 T HN 1.842 nan 8.240 nan 0.000 0.501 51 G N 0.747 109.505 108.800 -0.071 0.000 2.511 51 G HA2 0.198 4.158 3.960 -0.000 0.000 0.205 51 G HA3 0.198 4.158 3.960 -0.000 0.000 0.205 51 G C 0.115 175.086 174.900 0.118 0.000 1.098 51 G CA -0.170 44.880 45.100 -0.084 0.000 0.812 51 G HN 0.445 nan 8.290 nan 0.000 0.497 52 F N -0.902 119.080 119.950 0.052 0.000 2.555 52 F HA -0.294 4.233 4.527 -0.000 0.000 0.693 52 F C 1.657 177.493 175.800 0.061 0.000 0.487 52 F CA 2.441 60.472 58.000 0.052 0.000 0.748 52 F CB -1.310 37.715 39.000 0.041 0.000 1.624 52 F HN 0.356 nan 8.300 nan 0.000 0.266 53 D N -0.399 120.171 120.400 0.284 0.000 2.422 53 D HA 0.141 4.781 4.640 -0.000 0.000 0.218 53 D C 0.586 176.989 176.300 0.172 0.000 1.047 53 D CA 0.622 54.734 54.000 0.186 0.000 0.885 53 D CB 0.004 40.887 40.800 0.139 0.000 1.035 53 D HN 0.311 nan 8.370 nan 0.000 0.502 54 Q N 0.129 120.015 119.800 0.143 0.000 2.214 54 Q HA 0.475 4.815 4.340 -0.000 0.000 0.251 54 Q C -0.515 175.561 176.000 0.127 0.000 0.936 54 Q CA -0.673 55.185 55.803 0.090 0.000 0.894 54 Q CB 1.158 29.904 28.738 0.013 0.000 1.252 54 Q HN 0.203 nan 8.270 nan 0.000 0.448 55 Y N -2.210 118.113 120.300 0.038 0.000 2.698 55 Y HA 0.882 5.432 4.550 -0.000 0.000 0.332 55 Y C -1.013 174.904 175.900 0.030 0.000 1.119 55 Y CA -1.285 56.834 58.100 0.032 0.000 1.109 55 Y CB 1.581 40.059 38.460 0.031 0.000 1.308 55 Y HN 0.317 nan 8.280 nan 0.000 0.499 56 K N 0.855 121.292 120.400 0.063 0.000 2.523 56 K HA 0.541 4.861 4.320 -0.000 0.000 0.257 56 K C -2.213 174.481 176.600 0.157 0.000 0.932 56 K CA -0.410 55.866 56.287 -0.019 0.000 0.812 56 K CB 2.086 34.581 32.500 -0.007 0.000 1.326 56 K HN 0.979 nan 8.250 nan 0.000 0.433 57 c N 1.897 120.573 118.600 0.127 0.000 2.281 57 c HA 0.314 4.884 4.570 -0.000 0.000 0.325 57 c C 0.068 174.220 174.090 0.105 0.000 1.282 57 c CA -0.830 55.589 56.329 0.150 0.000 1.640 57 c CB 0.446 43.058 42.510 0.170 0.000 2.288 57 c HN 0.620 nan 8.230 nan 0.000 0.507 58 D N 1.789 122.249 120.400 0.099 0.000 2.508 58 D HA 0.156 4.796 4.640 -0.000 0.000 0.224 58 D C 0.583 176.937 176.300 0.091 0.000 1.171 58 D CA -0.168 53.883 54.000 0.086 0.000 1.006 58 D CB 0.158 41.007 40.800 0.082 0.000 1.073 58 D HN 0.664 nan 8.370 nan 0.000 0.513 59 c N 2.332 120.993 118.600 0.102 0.000 2.477 59 c HA 0.047 4.617 4.570 -0.000 0.000 0.321 59 c C 0.849 175.011 174.090 0.120 0.000 1.369 59 c CA -0.365 56.039 56.329 0.124 0.000 1.607 59 c CB -2.147 40.460 42.510 0.163 0.000 1.632 59 c HN 0.420 nan 8.230 nan 0.000 0.597 60 T N 1.195 115.804 114.554 0.092 0.000 2.871 60 T HA 0.112 4.462 4.350 -0.000 0.000 0.296 60 T C 0.963 175.712 174.700 0.080 0.000 0.998 60 T CA 0.184 62.330 62.100 0.078 0.000 1.162 60 T CB 0.086 68.990 68.868 0.060 0.000 0.947 60 T HN 0.609 nan 8.240 nan 0.000 0.536 61 R N 0.057 120.603 120.500 0.076 0.000 3.946 61 R HA -0.243 4.097 4.340 -0.000 0.000 0.329 61 R C 1.827 178.184 176.300 0.094 0.000 1.209 61 R CA 1.219 57.361 56.100 0.071 0.000 0.909 61 R CB -2.173 28.160 30.300 0.054 0.000 1.355 61 R HN 0.971 nan 8.270 nan 0.000 0.539 62 T N -4.881 109.754 114.554 0.135 0.000 2.851 62 T HA 0.153 4.503 4.350 -0.000 0.000 0.262 62 T C 1.486 176.346 174.700 0.268 0.000 1.043 62 T CA 1.170 63.388 62.100 0.197 0.000 1.140 62 T CB 0.403 69.406 68.868 0.226 0.000 0.872 62 T HN 0.749 nan 8.240 nan 0.000 0.446 63 G N 0.624 109.540 108.800 0.192 0.000 2.138 63 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.193 63 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.193 63 G C -0.218 174.523 174.900 -0.266 0.000 0.998 63 G CA -0.302 44.801 45.100 0.004 0.000 0.668 63 G HN 0.557 nan 8.290 nan 0.000 0.516 64 F N -0.329 119.666 119.950 0.075 0.000 2.608 64 F HA 0.690 5.217 4.527 -0.000 0.000 0.309 64 F C 0.139 176.008 175.800 0.114 0.000 1.103 64 F CA -1.351 56.660 58.000 0.019 0.000 0.954 64 F CB 1.342 40.316 39.000 -0.044 0.000 1.267 64 F HN 0.241 nan 8.300 nan 0.000 0.444 65 Y N -0.122 120.283 120.300 0.175 0.000 2.805 65 Y HA 0.973 5.523 4.550 -0.000 0.000 0.321 65 Y C 0.319 176.288 175.900 0.115 0.000 1.203 65 Y CA -1.846 56.324 58.100 0.117 0.000 1.165 65 Y CB 0.737 39.237 38.460 0.066 0.000 1.371 65 Y HN 1.053 nan 8.280 nan 0.000 0.564 66 G N 0.063 109.076 108.800 0.355 0.000 2.699 66 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 66 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 66 G C 0.309 175.284 174.900 0.126 0.000 1.301 66 G CA -0.037 45.184 45.100 0.201 0.000 0.816 66 G HN 1.161 nan 8.290 nan 0.000 0.595 67 E N -0.189 120.066 120.200 0.092 0.000 2.236 67 E HA -0.247 4.103 4.350 -0.000 0.000 0.205 67 E C 1.359 178.031 176.600 0.119 0.000 1.028 67 E CA 1.920 58.364 56.400 0.073 0.000 0.827 67 E CB -0.057 29.674 29.700 0.052 0.000 0.735 67 E HN 0.411 nan 8.360 nan 0.000 0.470 68 N N -1.221 117.542 118.700 0.106 0.000 2.291 68 N HA 0.099 4.839 4.740 -0.000 0.000 0.244 68 N C -0.794 174.745 175.510 0.050 0.000 1.216 68 N CA 0.430 53.541 53.050 0.102 0.000 0.879 68 N CB 0.571 39.104 38.487 0.076 0.000 1.167 68 N HN 0.135 nan 8.380 nan 0.000 0.515 69 c N 0.534 119.180 118.600 0.076 0.000 4.365 69 c HA -0.148 4.422 4.570 -0.000 0.000 0.299 69 c C 2.031 176.134 174.090 0.020 0.000 1.409 69 c CA 1.079 57.462 56.329 0.090 0.000 2.007 69 c CB -3.080 39.471 42.510 0.069 0.000 1.264 69 c HN 0.569 nan 8.230 nan 0.000 0.777 70 T N -2.891 111.674 114.554 0.018 0.000 2.901 70 T HA 0.088 4.438 4.350 -0.000 0.000 0.252 70 T C 0.844 175.611 174.700 0.111 0.000 1.035 70 T CA 1.438 63.534 62.100 -0.008 0.000 1.142 70 T CB -0.160 68.698 68.868 -0.017 0.000 0.869 70 T HN 0.832 nan 8.240 nan 0.000 0.442 71 T N 5.086 119.589 114.554 -0.085 0.000 2.794 71 T HA 0.347 4.697 4.350 -0.000 0.000 0.296 71 T C -2.715 171.719 174.700 -0.444 0.000 0.949 71 T CA -2.068 59.849 62.100 -0.304 0.000 1.101 71 T CB 0.660 69.174 68.868 -0.589 0.000 0.905 71 T HN 0.074 nan 8.240 nan 0.000 0.516 72 P HA 0.232 nan 4.420 nan 0.000 0.274 72 P C -0.414 176.668 177.300 -0.364 0.000 1.231 72 P CA -0.384 62.239 63.100 -0.795 0.000 0.790 72 P CB 0.765 32.069 31.700 -0.660 0.000 0.951 73 E N 0.788 120.813 120.200 -0.292 0.000 2.354 73 E HA 0.048 4.398 4.350 -0.000 0.000 0.269 73 E C 0.794 177.390 176.600 -0.006 0.000 1.036 73 E CA -0.312 56.111 56.400 0.039 0.000 0.876 73 E CB 0.176 29.880 29.700 0.007 0.000 1.009 73 E HN 0.365 nan 8.360 nan 0.000 0.416 74 F N 2.804 122.746 119.950 -0.014 0.000 2.063 74 F HA -0.312 4.215 4.527 -0.000 0.000 0.298 74 F C 1.885 177.654 175.800 -0.051 0.000 1.105 74 F CA 1.820 59.804 58.000 -0.027 0.000 1.215 74 F CB -0.151 38.845 39.000 -0.007 0.000 0.972 74 F HN 0.504 nan 8.300 nan 0.000 0.483 75 L N -0.088 121.253 121.223 0.196 0.000 2.127 75 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 75 L C 2.166 179.002 176.870 -0.057 0.000 1.089 75 L CA 2.408 57.300 54.840 0.088 0.000 0.757 75 L CB -1.270 40.837 42.059 0.081 0.000 0.899 75 L HN 0.199 nan 8.230 nan 0.000 0.434 76 T N -0.265 114.212 114.554 -0.129 0.000 2.720 76 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 76 T C 1.940 176.520 174.700 -0.200 0.000 1.037 76 T CA 1.767 63.738 62.100 -0.215 0.000 1.144 76 T CB -0.195 68.389 68.868 -0.473 0.000 0.864 76 T HN 0.426 nan 8.240 nan 0.000 0.444 77 R N 0.523 120.866 120.500 -0.262 0.000 2.094 77 R HA -0.088 4.252 4.340 -0.000 0.000 0.239 77 R C 2.397 178.581 176.300 -0.192 0.000 1.137 77 R CA 1.397 57.341 56.100 -0.260 0.000 0.943 77 R CB -0.665 29.371 30.300 -0.439 0.000 0.850 77 R HN 0.311 nan 8.270 nan 0.000 0.433 78 I N 1.770 122.220 120.570 -0.199 0.000 2.145 78 I HA -0.334 3.836 4.170 -0.000 0.000 0.244 78 I C 2.063 178.147 176.117 -0.056 0.000 1.075 78 I CA 1.762 63.001 61.300 -0.102 0.000 1.332 78 I CB -1.106 36.873 38.000 -0.037 0.000 1.033 78 I HN 0.225 nan 8.210 nan 0.000 0.410 79 K N 0.355 120.726 120.400 -0.049 0.000 2.025 79 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 79 K C 2.246 178.842 176.600 -0.007 0.000 1.049 79 K CA 0.862 57.136 56.287 -0.021 0.000 0.933 79 K CB -0.265 32.221 32.500 -0.023 0.000 0.714 79 K HN 0.250 nan 8.250 nan 0.000 0.438 80 L N 1.257 122.471 121.223 -0.014 0.000 2.043 80 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 80 L C 2.434 179.308 176.870 0.006 0.000 1.075 80 L CA 1.379 56.228 54.840 0.015 0.000 0.752 80 L CB -0.605 41.468 42.059 0.022 0.000 0.891 80 L HN 0.259 nan 8.230 nan 0.000 0.432 81 L N -0.893 120.317 121.223 -0.021 0.000 1.994 81 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 81 L C 2.457 179.326 176.870 -0.003 0.000 1.071 81 L CA 1.086 55.915 54.840 -0.018 0.000 0.745 81 L CB -0.468 41.570 42.059 -0.036 0.000 0.892 81 L HN 0.248 nan 8.230 nan 0.000 0.431 82 L N 0.158 121.380 121.223 -0.001 0.000 2.362 82 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 82 L C 1.178 178.063 176.870 0.025 0.000 1.134 82 L CA 0.864 55.709 54.840 0.008 0.000 0.807 82 L CB -0.776 41.285 42.059 0.005 0.000 0.927 82 L HN 0.052 nan 8.230 nan 0.000 0.447 83 K N 2.642 123.064 120.400 0.037 0.000 2.320 83 K HA 0.012 4.332 4.320 -0.000 0.000 0.273 83 K C -2.100 174.539 176.600 0.064 0.000 1.146 83 K CA -0.759 55.566 56.287 0.062 0.000 1.144 83 K CB -0.137 32.406 32.500 0.071 0.000 0.878 83 K HN 0.026 nan 8.250 nan 0.000 0.458 84 P HA 0.035 nan 4.420 nan 0.000 0.279 84 P C -0.545 176.812 177.300 0.095 0.000 1.239 84 P CA -0.492 62.652 63.100 0.072 0.000 0.789 84 P CB 1.311 33.055 31.700 0.074 0.000 0.933 85 T N 3.767 118.371 114.554 0.083 0.000 2.930 85 T HA 0.108 4.458 4.350 -0.000 0.000 0.306 85 T C -1.045 173.730 174.700 0.126 0.000 1.045 85 T CA -1.579 60.578 62.100 0.094 0.000 1.134 85 T CB 0.028 68.939 68.868 0.073 0.000 0.961 85 T HN 0.324 nan 8.240 nan 0.000 0.545 86 P HA -0.194 nan 4.420 nan 0.000 0.217 86 P C 1.066 178.493 177.300 0.212 0.000 1.151 86 P CA 1.516 64.721 63.100 0.175 0.000 0.849 86 P CB 0.094 31.891 31.700 0.162 0.000 0.787 87 N N -0.823 117.984 118.700 0.179 0.000 2.188 87 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 87 N C 1.776 177.410 175.510 0.205 0.000 1.018 87 N CA 1.496 54.658 53.050 0.186 0.000 0.858 87 N CB -0.785 37.763 38.487 0.102 0.000 0.989 87 N HN 0.212 nan 8.380 nan 0.000 0.426 88 T N 1.890 116.535 114.554 0.152 0.000 2.643 88 T HA -0.081 4.269 4.350 -0.000 0.000 0.264 88 T C 2.372 177.200 174.700 0.214 0.000 1.045 88 T CA 1.191 63.372 62.100 0.136 0.000 1.155 88 T CB -0.479 68.439 68.868 0.083 0.000 0.863 88 T HN -0.015 nan 8.240 nan 0.000 0.420 89 V N 1.690 121.721 119.914 0.195 0.000 2.324 89 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 89 V C 2.432 178.633 176.094 0.178 0.000 1.060 89 V CA 1.964 64.379 62.300 0.192 0.000 1.042 89 V CB -0.923 31.012 31.823 0.187 0.000 0.650 89 V HN 0.574 nan 8.190 nan 0.000 0.450 90 H N -0.554 118.579 119.070 0.104 0.000 2.319 90 H HA -0.254 4.302 4.556 -0.000 0.000 0.297 90 H C 2.272 177.632 175.328 0.052 0.000 1.097 90 H CA 2.681 58.757 56.048 0.047 0.000 1.285 90 H CB -0.451 29.371 29.762 0.099 0.000 1.368 90 H HN 0.533 nan 8.280 nan 0.000 0.495 91 Y N 1.061 121.500 120.300 0.232 0.000 2.049 91 Y HA -0.214 4.335 4.550 -0.000 0.000 0.277 91 Y C 2.843 178.784 175.900 0.069 0.000 1.143 91 Y CA 2.248 60.399 58.100 0.084 0.000 1.115 91 Y CB -0.812 37.592 38.460 -0.094 0.000 0.975 91 Y HN 0.143 nan 8.280 nan 0.000 0.487 92 I N -0.417 120.437 120.570 0.473 0.000 2.300 92 I HA -0.330 3.840 4.170 -0.000 0.000 0.252 92 I C 2.222 178.668 176.117 0.550 0.000 1.119 92 I CA 1.058 62.728 61.300 0.617 0.000 1.384 92 I CB -0.591 37.738 38.000 0.547 0.000 1.062 92 I HN 0.310 nan 8.210 nan 0.000 0.426 93 L N 0.432 121.789 121.223 0.224 0.000 2.044 93 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 93 L C 2.475 179.166 176.870 -0.299 0.000 1.075 93 L CA 2.093 56.870 54.840 -0.104 0.000 0.747 93 L CB -1.155 40.508 42.059 -0.661 0.000 0.903 93 L HN 0.194 nan 8.230 nan 0.000 0.435 94 T N -0.808 113.582 114.554 -0.273 0.000 3.072 94 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 94 T C 0.814 175.171 174.700 -0.571 0.000 1.127 94 T CA 0.467 62.314 62.100 -0.422 0.000 1.107 94 T CB -0.312 68.448 68.868 -0.180 0.000 0.910 94 T HN 0.396 nan 8.240 nan 0.000 0.513 95 H N -0.714 118.073 119.070 -0.472 0.000 3.164 95 H HA 0.303 4.859 4.556 -0.000 0.000 0.252 95 H C 0.330 175.616 175.328 -0.069 0.000 1.619 95 H CA -1.254 54.449 56.048 -0.576 0.000 1.642 95 H CB 0.393 29.291 29.762 -1.440 0.000 1.612 95 H HN 0.040 nan 8.280 nan 0.000 0.951 96 F N -0.509 119.700 119.950 0.432 0.000 3.097 96 F HA -0.242 4.285 4.527 -0.000 0.000 0.278 96 F C 1.745 177.725 175.800 0.300 0.000 0.917 96 F CA 0.620 58.787 58.000 0.280 0.000 0.962 96 F CB -2.096 36.969 39.000 0.109 0.000 0.964 96 F HN 0.415 nan 8.300 nan 0.000 0.668 97 K N 1.235 121.824 120.400 0.315 0.000 2.184 97 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 97 K C 2.103 178.743 176.600 0.066 0.000 1.048 97 K CA 2.141 58.371 56.287 -0.096 0.000 0.931 97 K CB -0.918 31.340 32.500 -0.404 0.000 0.718 97 K HN 0.590 nan 8.250 nan 0.000 0.465 98 G N -1.056 107.808 108.800 0.108 0.000 2.411 98 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.213 98 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.213 98 G C 1.516 176.467 174.900 0.086 0.000 1.166 98 G CA 0.587 45.736 45.100 0.081 0.000 0.802 98 G HN 0.185 nan 8.290 nan 0.000 0.533 99 V N -0.102 119.858 119.914 0.077 0.000 2.255 99 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 99 V C 2.405 178.477 176.094 -0.038 0.000 1.051 99 V CA 1.788 64.055 62.300 -0.055 0.000 1.018 99 V CB -0.860 30.855 31.823 -0.180 0.000 0.641 99 V HN 0.565 nan 8.190 nan 0.000 0.445 100 W N 0.389 121.780 121.300 0.150 0.000 2.331 100 W HA -0.231 4.429 4.660 -0.000 0.000 0.291 100 W C 2.534 179.126 176.519 0.122 0.000 1.214 100 W CA 1.574 59.019 57.345 0.166 0.000 1.228 100 W CB -0.406 29.180 29.460 0.210 0.000 1.135 100 W HN 0.319 nan 8.180 nan 0.000 0.537 101 N N 0.464 119.331 118.700 0.279 0.000 2.188 101 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 101 N C 1.466 177.055 175.510 0.132 0.000 1.018 101 N CA 1.527 54.679 53.050 0.170 0.000 0.858 101 N CB -0.321 38.219 38.487 0.089 0.000 0.989 101 N HN 0.049 nan 8.380 nan 0.000 0.426 102 I N -0.385 120.244 120.570 0.098 0.000 2.127 102 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 102 I C 1.982 178.145 176.117 0.078 0.000 1.075 102 I CA 0.794 62.128 61.300 0.058 0.000 1.334 102 I CB -0.397 37.613 38.000 0.017 0.000 1.040 102 I HN 0.026 nan 8.210 nan 0.000 0.405 103 V N 0.829 120.818 119.914 0.124 0.000 2.231 103 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 103 V C 1.407 177.640 176.094 0.232 0.000 1.054 103 V CA 1.931 64.344 62.300 0.190 0.000 1.015 103 V CB -0.969 31.055 31.823 0.335 0.000 0.638 103 V HN 0.471 nan 8.190 nan 0.000 0.444 104 N N 0.620 119.494 118.700 0.290 0.000 2.719 104 N HA -0.003 4.737 4.740 -0.000 0.000 0.207 104 N C 0.273 175.826 175.510 0.072 0.000 1.551 104 N CA 0.269 53.431 53.050 0.187 0.000 0.914 104 N CB -1.290 37.289 38.487 0.153 0.000 1.215 104 N HN 0.499 nan 8.380 nan 0.000 0.480 105 I N 0.409 120.885 120.570 -0.156 0.000 2.731 105 I HA -0.303 3.867 4.170 -0.000 0.000 0.126 105 I C -1.019 174.749 176.117 -0.582 0.000 0.882 105 I CA -0.465 60.594 61.300 -0.402 0.000 2.786 105 I CB -0.179 37.720 38.000 -0.169 0.000 0.553 105 I HN 0.075 nan 8.210 nan 0.000 0.352 106 P HA -0.259 nan 4.420 nan 0.000 0.218 106 P C 1.421 178.535 177.300 -0.310 0.000 1.165 106 P CA 1.995 64.805 63.100 -0.484 0.000 0.922 106 P CB 0.006 31.441 31.700 -0.442 0.000 0.794 107 F N -1.632 118.371 119.950 0.088 0.000 2.147 107 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 107 F C 2.392 178.248 175.800 0.093 0.000 1.084 107 F CA 0.848 58.896 58.000 0.081 0.000 1.268 107 F CB -2.079 36.959 39.000 0.063 0.000 1.009 107 F HN -0.104 nan 8.300 nan 0.000 0.486 108 L N -0.384 120.881 121.223 0.070 0.000 2.023 108 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 108 L C 2.885 179.840 176.870 0.142 0.000 1.073 108 L CA 1.243 56.142 54.840 0.100 0.000 0.745 108 L CB -0.444 41.650 42.059 0.059 0.000 0.900 108 L HN 0.078 nan 8.230 nan 0.000 0.435 109 R N 0.163 120.768 120.500 0.174 0.000 2.082 109 R HA -0.219 4.121 4.340 -0.000 0.000 0.234 109 R C 2.529 179.043 176.300 0.356 0.000 1.136 109 R CA 2.320 58.652 56.100 0.387 0.000 0.935 109 R CB -0.356 30.125 30.300 0.301 0.000 0.842 109 R HN 0.475 nan 8.270 nan 0.000 0.430 110 S N 1.779 117.605 115.700 0.210 0.000 2.365 110 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 110 S C 2.130 176.840 174.600 0.182 0.000 1.039 110 S CA 1.386 59.691 58.200 0.174 0.000 1.033 110 S CB -0.956 62.321 63.200 0.128 0.000 0.887 110 S HN 0.430 nan 8.310 nan 0.000 0.447 111 L N 1.741 123.065 121.223 0.168 0.000 1.997 111 L HA -0.136 4.204 4.340 -0.000 0.000 0.216 111 L C 2.382 179.345 176.870 0.154 0.000 1.074 111 L CA 2.179 57.107 54.840 0.146 0.000 0.763 111 L CB -1.021 41.115 42.059 0.129 0.000 0.890 111 L HN 0.324 nan 8.230 nan 0.000 0.434 112 I N -0.636 120.018 120.570 0.140 0.000 2.179 112 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 112 I C 2.668 178.922 176.117 0.227 0.000 1.088 112 I CA 1.117 62.454 61.300 0.062 0.000 1.357 112 I CB -1.342 36.416 38.000 -0.402 0.000 1.051 112 I HN 0.334 nan 8.210 nan 0.000 0.409 113 M N 1.246 121.072 119.600 0.376 0.000 2.106 113 M HA -0.242 4.238 4.480 -0.000 0.000 0.259 113 M C 2.230 178.651 176.300 0.203 0.000 1.068 113 M CA 1.762 57.283 55.300 0.368 0.000 1.100 113 M CB -0.969 31.808 32.600 0.296 0.000 1.351 113 M HN 0.187 nan 8.290 nan 0.000 0.404 114 K N -1.480 119.019 120.400 0.166 0.000 1.991 114 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 114 K C 2.163 178.834 176.600 0.120 0.000 1.049 114 K CA 2.041 58.393 56.287 0.109 0.000 0.932 114 K CB -0.678 31.888 32.500 0.111 0.000 0.717 114 K HN 0.367 nan 8.250 nan 0.000 0.441 115 Y N 1.187 121.535 120.300 0.079 0.000 2.040 115 Y HA -0.316 4.234 4.550 -0.000 0.000 0.275 115 Y C 2.013 177.974 175.900 0.103 0.000 1.171 115 Y CA 2.035 60.185 58.100 0.083 0.000 1.123 115 Y CB -0.991 37.511 38.460 0.069 0.000 0.963 115 Y HN 0.003 nan 8.280 nan 0.000 0.493 116 V N 0.427 120.195 119.914 -0.243 0.000 2.282 116 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 116 V C 2.323 178.308 176.094 -0.183 0.000 1.057 116 V CA 2.298 64.410 62.300 -0.314 0.000 1.032 116 V CB -0.878 30.998 31.823 0.087 0.000 0.645 116 V HN 0.523 nan 8.190 nan 0.000 0.447 117 L N 1.097 122.282 121.223 -0.062 0.000 2.043 117 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 117 L C 2.853 179.682 176.870 -0.068 0.000 1.075 117 L CA 3.021 57.826 54.840 -0.058 0.000 0.752 117 L CB -1.285 40.736 42.059 -0.064 0.000 0.891 117 L HN 0.789 nan 8.230 nan 0.000 0.432 118 T N -4.261 110.260 114.554 -0.055 0.000 2.706 118 T HA -0.125 4.225 4.350 -0.000 0.000 0.255 118 T C 2.097 176.826 174.700 0.048 0.000 1.048 118 T CA 1.354 63.465 62.100 0.019 0.000 1.153 118 T CB -0.986 67.918 68.868 0.060 0.000 0.865 118 T HN 0.407 nan 8.240 nan 0.000 0.414 119 S N 2.469 118.154 115.700 -0.025 0.000 2.378 119 S HA -0.294 4.176 4.470 -0.000 0.000 0.229 119 S C 2.208 176.830 174.600 0.037 0.000 1.052 119 S CA 1.492 59.733 58.200 0.068 0.000 1.084 119 S CB -0.781 62.309 63.200 -0.184 0.000 0.950 119 S HN 0.359 nan 8.310 nan 0.000 0.440 120 R N 1.676 122.134 120.500 -0.070 0.000 2.119 120 R HA -0.018 4.322 4.340 -0.000 0.000 0.246 120 R C 2.658 178.911 176.300 -0.078 0.000 1.146 120 R CA 1.907 57.968 56.100 -0.065 0.000 0.962 120 R CB -1.115 29.171 30.300 -0.024 0.000 0.863 120 R HN 0.614 nan 8.270 nan 0.000 0.442 121 S N -0.588 115.113 115.700 0.002 0.000 2.436 121 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 121 S C 1.476 176.081 174.600 0.008 0.000 1.014 121 S CA 0.747 58.973 58.200 0.043 0.000 0.950 121 S CB -0.344 62.972 63.200 0.193 0.000 0.784 121 S HN 0.584 nan 8.310 nan 0.000 0.504 122 Y N 1.603 121.922 120.300 0.032 0.000 2.556 122 Y HA 0.016 4.565 4.550 -0.000 0.000 0.290 122 Y C 1.477 177.360 175.900 -0.027 0.000 1.149 122 Y CA 0.386 58.494 58.100 0.013 0.000 1.329 122 Y CB -0.575 37.898 38.460 0.021 0.000 0.975 122 Y HN 0.091 nan 8.280 nan 0.000 0.561 123 L N 0.960 121.812 121.223 -0.620 0.000 2.179 123 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 123 L C 0.608 177.276 176.870 -0.337 0.000 1.096 123 L CA 0.607 55.075 54.840 -0.621 0.000 0.779 123 L CB -1.046 40.593 42.059 -0.700 0.000 0.922 123 L HN 0.319 nan 8.230 nan 0.000 0.443 124 I N -1.953 118.524 120.570 -0.155 0.000 2.440 124 I HA 0.280 4.449 4.170 -0.000 0.000 0.294 124 I C -0.025 176.091 176.117 -0.002 0.000 0.995 124 I CA -1.083 60.202 61.300 -0.024 0.000 1.306 124 I CB 0.106 38.159 38.000 0.088 0.000 1.407 124 I HN -0.193 nan 8.210 nan 0.000 0.501 125 D N 3.757 124.178 120.400 0.035 0.000 2.344 125 D HA 0.326 4.966 4.640 -0.000 0.000 0.253 125 D C -0.631 175.673 176.300 0.007 0.000 1.255 125 D CA 0.449 54.466 54.000 0.029 0.000 0.894 125 D CB 0.687 41.525 40.800 0.064 0.000 1.067 125 D HN 0.542 nan 8.370 nan 0.000 0.492 126 S N 2.417 118.105 115.700 -0.021 0.000 2.736 126 S HA 0.429 4.899 4.470 -0.000 0.000 0.285 126 S C -2.473 172.100 174.600 -0.045 0.000 1.163 126 S CA -1.137 57.036 58.200 -0.046 0.000 1.025 126 S CB 1.239 64.373 63.200 -0.110 0.000 1.030 126 S HN 0.135 nan 8.310 nan 0.000 0.486 127 P HA 0.273 nan 4.420 nan 0.000 0.270 127 P C -2.473 174.846 177.300 0.032 0.000 1.223 127 P CA -0.942 62.170 63.100 0.021 0.000 0.785 127 P CB -0.005 31.714 31.700 0.031 0.000 0.923 128 P HA -0.062 nan 4.420 nan 0.000 0.269 128 P C 0.044 177.360 177.300 0.027 0.000 1.211 128 P CA 0.335 63.461 63.100 0.043 0.000 0.781 128 P CB 0.497 32.198 31.700 0.001 0.000 0.877 129 T N -0.942 113.598 114.554 -0.023 0.000 2.638 129 T HA 0.216 4.566 4.350 -0.000 0.000 0.169 129 T C 0.582 175.160 174.700 -0.202 0.000 0.790 129 T CA -0.053 61.927 62.100 -0.200 0.000 1.151 129 T CB -0.675 67.969 68.868 -0.374 0.000 2.581 129 T HN 0.218 nan 8.240 nan 0.000 0.391 130 Y N 3.683 124.007 120.300 0.041 0.000 2.220 130 Y HA 0.566 5.116 4.550 -0.000 0.000 0.347 130 Y C 0.951 176.839 175.900 -0.021 0.000 1.311 130 Y CA -0.175 57.939 58.100 0.024 0.000 1.593 130 Y CB 0.058 38.513 38.460 -0.008 0.000 1.419 130 Y HN 0.994 nan 8.280 nan 0.000 0.614 131 N N -4.854 113.918 118.700 0.121 0.000 3.501 131 N HA 0.064 4.803 4.740 -0.000 0.000 0.235 131 N C -0.342 175.026 175.510 -0.237 0.000 1.442 131 N CA -0.299 52.690 53.050 -0.103 0.000 0.872 131 N CB 0.233 38.571 38.487 -0.249 0.000 1.414 131 N HN 0.215 nan 8.380 nan 0.000 0.485 132 V N 0.007 119.678 119.914 -0.405 0.000 2.285 132 V HA -0.380 3.740 4.120 -0.000 0.000 0.260 132 V C 1.689 177.492 176.094 -0.486 0.000 1.089 132 V CA 2.764 64.770 62.300 -0.489 0.000 1.082 132 V CB -1.335 30.020 31.823 -0.780 0.000 0.681 132 V HN 0.804 nan 8.190 nan 0.000 0.452 133 H N -3.664 115.139 119.070 -0.445 0.000 2.582 133 H HA 0.228 4.783 4.556 -0.000 0.000 0.269 133 H C -0.035 174.800 175.328 -0.823 0.000 0.962 133 H CA 0.083 55.798 56.048 -0.555 0.000 1.230 133 H CB 0.317 29.727 29.762 -0.586 0.000 1.445 133 H HN 0.464 nan 8.280 nan 0.000 0.528 134 Y N 0.299 120.522 120.300 -0.129 0.000 2.478 134 Y HA 0.308 4.858 4.550 -0.000 0.000 0.329 134 Y C 1.163 176.996 175.900 -0.111 0.000 0.967 134 Y CA -0.768 57.184 58.100 -0.245 0.000 1.255 134 Y CB 1.578 39.959 38.460 -0.131 0.000 1.103 134 Y HN 0.129 nan 8.280 nan 0.000 0.497 135 G N 2.363 111.074 108.800 -0.149 0.000 2.712 135 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.212 135 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.212 135 G C -0.022 175.123 174.900 0.407 0.000 1.142 135 G CA 0.346 45.488 45.100 0.071 0.000 0.789 135 G HN 0.540 nan 8.290 nan 0.000 0.535 136 Y N -2.154 118.379 120.300 0.388 0.000 2.602 136 Y HA 0.730 5.280 4.550 -0.000 0.000 0.330 136 Y C 1.214 177.158 175.900 0.072 0.000 1.114 136 Y CA -2.505 55.755 58.100 0.266 0.000 1.182 136 Y CB 0.960 39.535 38.460 0.193 0.000 1.305 136 Y HN -0.203 nan 8.280 nan 0.000 0.502 137 K N 0.918 121.429 120.400 0.184 0.000 2.057 137 K HA -0.069 4.250 4.320 -0.000 0.000 0.207 137 K C 0.387 177.020 176.600 0.054 0.000 1.049 137 K CA 1.315 57.577 56.287 -0.041 0.000 0.931 137 K CB -0.283 32.149 32.500 -0.113 0.000 0.714 137 K HN 0.894 nan 8.250 nan 0.000 0.440 138 S N -0.657 115.140 115.700 0.162 0.000 3.661 138 S HA -0.257 4.213 4.470 -0.000 0.000 0.856 138 S C 0.688 175.298 174.600 0.016 0.000 1.259 138 S CA 0.625 58.863 58.200 0.064 0.000 0.753 138 S CB -0.389 62.813 63.200 0.004 0.000 0.736 138 S HN 0.528 nan 8.310 nan 0.000 0.290 139 W N 3.733 125.002 121.300 -0.053 0.000 2.381 139 W HA -0.121 4.539 4.660 -0.000 0.000 0.301 139 W C 1.978 178.496 176.519 -0.003 0.000 1.205 139 W CA 1.808 59.169 57.345 0.027 0.000 1.285 139 W CB -0.701 28.769 29.460 0.018 0.000 1.133 139 W HN 1.081 nan 8.180 nan 0.000 0.521 140 E N 1.137 121.299 120.200 -0.063 0.000 2.114 140 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 140 E C 2.086 178.554 176.600 -0.220 0.000 1.008 140 E CA 2.700 59.001 56.400 -0.164 0.000 0.810 140 E CB -0.787 28.752 29.700 -0.268 0.000 0.739 140 E HN 0.149 nan 8.360 nan 0.000 0.456 141 A N 0.126 122.746 122.820 -0.333 0.000 1.835 141 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 141 A C 2.277 179.767 177.584 -0.158 0.000 1.199 141 A CA 1.584 53.560 52.037 -0.102 0.000 0.615 141 A CB -1.340 17.606 19.000 -0.090 0.000 0.838 141 A HN 0.486 nan 8.150 nan 0.000 0.444 142 F N 2.275 122.021 119.950 -0.341 0.000 2.115 142 F HA -0.275 4.252 4.527 -0.000 0.000 0.300 142 F C 2.606 178.093 175.800 -0.521 0.000 1.092 142 F CA 2.283 60.010 58.000 -0.456 0.000 1.245 142 F CB -0.387 38.219 39.000 -0.656 0.000 0.995 142 F HN 0.309 nan 8.300 nan 0.000 0.481 143 S N -0.614 114.511 115.700 -0.959 0.000 2.388 143 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 143 S C 1.152 175.448 174.600 -0.507 0.000 1.034 143 S CA 0.325 58.023 58.200 -0.837 0.000 0.963 143 S CB -0.922 61.966 63.200 -0.520 0.000 0.827 143 S HN 0.407 nan 8.310 nan 0.000 0.481 144 N N 2.217 120.715 118.700 -0.337 0.000 2.412 144 N HA 0.077 4.816 4.740 -0.000 0.000 0.279 144 N C 0.492 175.847 175.510 -0.259 0.000 1.287 144 N CA 0.070 52.957 53.050 -0.272 0.000 0.948 144 N CB 0.019 38.309 38.487 -0.328 0.000 1.255 144 N HN 0.448 nan 8.380 nan 0.000 0.485 145 L N 1.804 122.874 121.223 -0.256 0.000 2.551 145 L HA -0.068 4.272 4.340 -0.000 0.000 0.228 145 L C 1.808 178.655 176.870 -0.037 0.000 1.153 145 L CA 0.364 55.060 54.840 -0.239 0.000 0.851 145 L CB -0.070 41.822 42.059 -0.278 0.000 0.959 145 L HN 0.423 nan 8.230 nan 0.000 0.451 146 S N -1.504 114.158 115.700 -0.063 0.000 2.436 146 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 146 S C 0.571 175.244 174.600 0.121 0.000 1.014 146 S CA 0.327 58.550 58.200 0.037 0.000 0.950 146 S CB -0.105 63.132 63.200 0.061 0.000 0.784 146 S HN 0.180 nan 8.310 nan 0.000 0.504 147 Y N 0.422 120.713 120.300 -0.014 0.000 2.330 147 Y HA 0.303 4.853 4.550 -0.000 0.000 0.341 147 Y C 0.129 175.955 175.900 -0.123 0.000 1.278 147 Y CA -1.512 56.476 58.100 -0.186 0.000 1.453 147 Y CB 0.002 38.378 38.460 -0.141 0.000 1.342 147 Y HN 0.079 nan 8.280 nan 0.000 0.590 148 Y N -0.226 120.104 120.300 0.050 0.000 2.342 148 Y HA 0.242 4.792 4.550 -0.000 0.000 0.334 148 Y C 0.773 176.674 175.900 0.001 0.000 1.067 148 Y CA -0.624 57.487 58.100 0.018 0.000 1.128 148 Y CB 1.522 39.965 38.460 -0.029 0.000 1.200 148 Y HN 0.538 nan 8.280 nan 0.000 0.464 149 T N 2.507 117.175 114.554 0.189 0.000 2.766 149 T HA 0.369 4.719 4.350 -0.000 0.000 0.295 149 T C -0.480 174.269 174.700 0.082 0.000 1.024 149 T CA -0.295 61.866 62.100 0.103 0.000 1.018 149 T CB 0.389 69.305 68.868 0.079 0.000 1.002 149 T HN 0.625 nan 8.240 nan 0.000 0.532 150 R N 0.916 121.470 120.500 0.089 0.000 2.561 150 R HA 0.663 5.003 4.340 -0.000 0.000 0.297 150 R C 0.578 176.975 176.300 0.161 0.000 0.969 150 R CA -0.046 56.101 56.100 0.079 0.000 0.879 150 R CB 1.097 31.401 30.300 0.007 0.000 1.178 150 R HN 0.665 nan 8.270 nan 0.000 0.445 151 A N 4.582 127.542 122.820 0.233 0.000 2.167 151 A HA 0.216 4.536 4.320 -0.000 0.000 0.214 151 A C 0.074 177.732 177.584 0.124 0.000 1.151 151 A CA 0.747 52.980 52.037 0.326 0.000 0.735 151 A CB 0.075 19.496 19.000 0.701 0.000 0.802 151 A HN 0.401 nan 8.150 nan 0.000 0.467 152 L N -0.042 121.167 121.223 -0.023 0.000 2.513 152 L HA 0.355 4.695 4.340 -0.000 0.000 0.261 152 L C -2.762 173.906 176.870 -0.336 0.000 0.945 152 L CA -1.643 53.023 54.840 -0.290 0.000 0.848 152 L CB 2.592 44.317 42.059 -0.557 0.000 1.334 152 L HN -0.037 nan 8.230 nan 0.000 0.407 153 P HA 0.167 nan 4.420 nan 0.000 0.269 153 P C -2.731 174.404 177.300 -0.275 0.000 1.217 153 P CA -0.805 62.022 63.100 -0.454 0.000 0.783 153 P CB -0.143 31.202 31.700 -0.591 0.000 0.898 154 P HA 0.125 nan 4.420 nan 0.000 0.289 154 P C -0.492 176.735 177.300 -0.121 0.000 1.299 154 P CA -0.265 62.746 63.100 -0.148 0.000 0.766 154 P CB 0.552 32.173 31.700 -0.133 0.000 1.226 155 V N -0.112 119.760 119.914 -0.071 0.000 2.539 155 V HA 0.396 4.516 4.120 -0.000 0.000 0.292 155 V C 0.817 176.887 176.094 -0.040 0.000 1.045 155 V CA -0.836 61.432 62.300 -0.053 0.000 0.945 155 V CB 0.678 32.488 31.823 -0.020 0.000 0.993 155 V HN 0.722 nan 8.190 nan 0.000 0.464 156 A N 2.628 125.428 122.820 -0.034 0.000 2.565 156 A HA 0.075 4.395 4.320 -0.000 0.000 0.237 156 A C 0.869 178.450 177.584 -0.004 0.000 1.053 156 A CA -0.082 51.945 52.037 -0.017 0.000 0.755 156 A CB -0.187 18.813 19.000 -0.000 0.000 0.980 156 A HN 0.920 nan 8.150 nan 0.000 0.506 157 D N 0.619 121.019 120.400 -0.000 0.000 2.348 157 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 157 D C 1.013 177.326 176.300 0.021 0.000 0.970 157 D CA 1.484 55.491 54.000 0.011 0.000 0.889 157 D CB 0.187 40.995 40.800 0.014 0.000 0.912 157 D HN 0.756 nan 8.370 nan 0.000 0.524 158 D N -0.333 120.082 120.400 0.025 0.000 2.363 158 D HA -0.028 4.612 4.640 -0.000 0.000 0.214 158 D C 0.288 176.607 176.300 0.031 0.000 1.093 158 D CA -0.331 53.689 54.000 0.034 0.000 0.837 158 D CB -0.513 40.315 40.800 0.047 0.000 0.948 158 D HN -0.022 nan 8.370 nan 0.000 0.507 159 c N 1.884 120.498 118.600 0.022 0.000 2.705 159 c HA 0.159 4.729 4.570 -0.000 0.000 0.348 159 c C -0.087 174.015 174.090 0.021 0.000 1.386 159 c CA -0.828 55.513 56.329 0.018 0.000 2.361 159 c CB 1.344 43.859 42.510 0.008 0.000 2.486 159 c HN 0.315 nan 8.230 nan 0.000 0.728 160 P HA 0.020 nan 4.420 nan 0.000 0.220 160 P C 0.248 177.561 177.300 0.021 0.000 1.154 160 P CA 1.359 64.471 63.100 0.021 0.000 0.830 160 P CB 0.012 31.724 31.700 0.020 0.000 0.803 161 T N -3.883 110.684 114.554 0.021 0.000 2.893 161 T HA 0.414 4.764 4.350 -0.000 0.000 0.291 161 T C -2.221 172.497 174.700 0.030 0.000 1.028 161 T CA -2.313 59.803 62.100 0.027 0.000 0.995 161 T CB 2.209 71.096 68.868 0.031 0.000 1.051 161 T HN -0.225 nan 8.240 nan 0.000 0.470 162 P HA -0.072 nan 4.420 nan 0.000 0.222 162 P C 0.988 178.322 177.300 0.057 0.000 1.142 162 P CA 0.961 64.089 63.100 0.047 0.000 0.788 162 P CB 0.084 31.816 31.700 0.053 0.000 0.767 163 M N -2.310 117.323 119.600 0.055 0.000 2.346 163 M HA 0.276 4.756 4.480 -0.000 0.000 0.280 163 M C 1.247 177.562 176.300 0.024 0.000 1.075 163 M CA 0.363 55.697 55.300 0.057 0.000 0.989 163 M CB 0.535 33.181 32.600 0.077 0.000 1.447 163 M HN 0.092 nan 8.290 nan 0.000 0.511 164 G N -0.012 108.797 108.800 0.016 0.000 1.674 164 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.192 164 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.192 164 G C 0.100 175.002 174.900 0.002 0.000 1.551 164 G CA 0.105 45.202 45.100 -0.004 0.000 1.320 164 G HN 0.101 nan 8.290 nan 0.000 0.432 165 V N 1.525 121.440 119.914 0.001 0.000 3.480 165 V HA 0.446 4.566 4.120 -0.000 0.000 0.263 165 V C 0.586 176.690 176.094 0.017 0.000 1.442 165 V CA 1.303 63.607 62.300 0.007 0.000 1.053 165 V CB 0.159 31.980 31.823 -0.003 0.000 0.846 165 V HN 0.372 nan 8.190 nan 0.000 0.440 166 K N 1.155 121.567 120.400 0.020 0.000 2.249 166 K HA 0.577 4.897 4.320 -0.000 0.000 0.280 166 K C 0.330 176.960 176.600 0.049 0.000 1.033 166 K CA 0.745 57.052 56.287 0.033 0.000 0.946 166 K CB 1.165 33.685 32.500 0.033 0.000 1.005 166 K HN 0.515 nan 8.250 nan 0.000 0.469 167 G N 1.821 110.654 108.800 0.056 0.000 2.409 167 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.421 167 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.421 167 G C -1.341 173.586 174.900 0.044 0.000 1.259 167 G CA -0.815 44.324 45.100 0.064 0.000 1.011 167 G HN 0.676 nan 8.290 nan 0.000 0.497 168 N N -0.396 118.326 118.700 0.037 0.000 2.459 168 N HA 0.351 5.091 4.740 -0.000 0.000 0.288 168 N C 1.257 176.779 175.510 0.019 0.000 1.186 168 N CA -0.604 52.459 53.050 0.022 0.000 0.917 168 N CB 1.649 40.141 38.487 0.009 0.000 1.219 168 N HN 0.416 nan 8.380 nan 0.000 0.525 169 K N 0.528 120.937 120.400 0.014 0.000 2.242 169 K HA -0.160 4.159 4.320 -0.000 0.000 0.206 169 K C -0.284 176.324 176.600 0.013 0.000 1.045 169 K CA 1.682 57.977 56.287 0.014 0.000 0.930 169 K CB -0.082 32.424 32.500 0.010 0.000 0.726 169 K HN 0.530 nan 8.250 nan 0.000 0.462 170 E N -2.092 118.112 120.200 0.006 0.000 2.431 170 E HA 0.478 4.827 4.350 -0.000 0.000 0.268 170 E C -1.267 175.328 176.600 -0.008 0.000 0.953 170 E CA -0.834 55.566 56.400 0.001 0.000 0.810 170 E CB 1.081 30.775 29.700 -0.009 0.000 1.369 170 E HN -0.201 nan 8.360 nan 0.000 0.440 171 L N 1.012 122.224 121.223 -0.019 0.000 2.304 171 L HA 0.587 4.927 4.340 -0.000 0.000 0.268 171 L C -2.231 174.556 176.870 -0.139 0.000 1.010 171 L CA -2.274 52.534 54.840 -0.053 0.000 0.813 171 L CB 0.555 42.624 42.059 0.017 0.000 1.315 171 L HN 0.406 nan 8.230 nan 0.000 0.445 172 P HA -0.015 nan 4.420 nan 0.000 0.266 172 P C -0.834 176.368 177.300 -0.163 0.000 1.193 172 P CA -0.105 62.785 63.100 -0.350 0.000 0.770 172 P CB 0.279 31.512 31.700 -0.778 0.000 0.836 173 D N 1.229 121.564 120.400 -0.107 0.000 2.458 173 D HA -0.040 4.599 4.640 -0.000 0.000 0.243 173 D C 0.943 177.230 176.300 -0.022 0.000 1.146 173 D CA 0.311 54.282 54.000 -0.049 0.000 0.877 173 D CB 0.901 41.679 40.800 -0.037 0.000 1.176 173 D HN 0.336 nan 8.370 nan 0.000 0.461 174 S N 4.528 120.230 115.700 0.003 0.000 2.351 174 S HA -0.267 4.202 4.470 -0.000 0.000 0.220 174 S C 1.755 176.377 174.600 0.036 0.000 1.035 174 S CA 0.999 59.219 58.200 0.034 0.000 1.031 174 S CB -0.246 62.971 63.200 0.028 0.000 0.928 174 S HN 0.498 nan 8.310 nan 0.000 0.433 175 K N 1.764 122.176 120.400 0.020 0.000 2.089 175 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 175 K C 2.128 178.739 176.600 0.018 0.000 1.048 175 K CA 2.118 58.417 56.287 0.019 0.000 0.926 175 K CB -0.802 31.704 32.500 0.009 0.000 0.714 175 K HN 0.636 nan 8.250 nan 0.000 0.448 176 E N -0.783 119.422 120.200 0.009 0.000 2.015 176 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 176 E C 1.814 178.428 176.600 0.023 0.000 0.991 176 E CA 1.646 58.049 56.400 0.005 0.000 0.802 176 E CB 0.004 29.695 29.700 -0.015 0.000 0.759 176 E HN 0.104 nan 8.360 nan 0.000 0.447 177 V N 2.160 122.100 119.914 0.042 0.000 2.380 177 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 177 V C 2.410 178.546 176.094 0.071 0.000 1.063 177 V CA 1.593 63.946 62.300 0.089 0.000 1.055 177 V CB -0.746 31.176 31.823 0.165 0.000 0.657 177 V HN 0.437 nan 8.190 nan 0.000 0.455 178 L N 0.268 121.529 121.223 0.064 0.000 1.989 178 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 178 L C 2.559 179.451 176.870 0.036 0.000 1.071 178 L CA 2.446 57.322 54.840 0.060 0.000 0.749 178 L CB -0.480 41.615 42.059 0.061 0.000 0.890 178 L HN 0.445 nan 8.230 nan 0.000 0.431 179 E N -0.306 119.909 120.200 0.026 0.000 2.028 179 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 179 E C 2.164 178.768 176.600 0.006 0.000 0.984 179 E CA 1.124 57.531 56.400 0.012 0.000 0.800 179 E CB 0.017 29.721 29.700 0.006 0.000 0.758 179 E HN 0.488 nan 8.360 nan 0.000 0.448 180 K N 0.441 120.847 120.400 0.009 0.000 1.991 180 K HA -0.140 4.179 4.320 -0.000 0.000 0.212 180 K C 2.199 178.800 176.600 0.002 0.000 1.049 180 K CA 1.990 58.280 56.287 0.004 0.000 0.932 180 K CB -0.092 32.413 32.500 0.008 0.000 0.717 180 K HN 0.154 nan 8.250 nan 0.000 0.441 181 V N -2.116 117.805 119.914 0.012 0.000 3.661 181 V HA 0.123 4.243 4.120 -0.000 0.000 0.271 181 V C 1.580 177.661 176.094 -0.021 0.000 1.315 181 V CA 0.232 62.530 62.300 -0.003 0.000 1.072 181 V CB -0.252 31.576 31.823 0.008 0.000 0.830 181 V HN 0.118 nan 8.190 nan 0.000 0.443 182 L N -0.235 120.982 121.223 -0.011 0.000 2.276 182 L HA 0.349 4.689 4.340 -0.000 0.000 0.194 182 L C 1.070 177.933 176.870 -0.012 0.000 1.099 182 L CA 0.309 55.136 54.840 -0.021 0.000 0.800 182 L CB -0.114 41.941 42.059 -0.007 0.000 0.994 182 L HN 0.166 nan 8.230 nan 0.000 0.475 183 L N 1.426 122.651 121.223 0.003 0.000 2.554 183 L HA -0.101 4.239 4.340 -0.000 0.000 0.293 183 L C 0.840 177.700 176.870 -0.017 0.000 1.252 183 L CA 0.331 55.172 54.840 0.001 0.000 0.862 183 L CB -0.021 42.039 42.059 0.002 0.000 1.113 183 L HN 0.264 nan 8.230 nan 0.000 0.510 184 R N 3.077 123.566 120.500 -0.017 0.000 2.340 184 R HA 0.196 4.536 4.340 -0.000 0.000 0.300 184 R C 0.378 176.660 176.300 -0.030 0.000 1.069 184 R CA -0.564 55.517 56.100 -0.030 0.000 0.984 184 R CB 0.840 31.128 30.300 -0.019 0.000 1.003 184 R HN 0.605 nan 8.270 nan 0.000 0.459 185 R N 2.680 123.159 120.500 -0.035 0.000 2.064 185 R HA 0.130 4.470 4.340 -0.000 0.000 0.210 185 R C 0.142 176.429 176.300 -0.022 0.000 1.221 185 R CA 0.634 56.716 56.100 -0.030 0.000 1.055 185 R CB -0.323 29.957 30.300 -0.033 0.000 0.946 185 R HN 0.673 nan 8.270 nan 0.000 0.459 186 E N 0.891 121.077 120.200 -0.024 0.000 2.187 186 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 186 E C -1.319 175.286 176.600 0.008 0.000 0.896 186 E CA -0.772 55.628 56.400 0.001 0.000 0.766 186 E CB 1.311 31.004 29.700 -0.011 0.000 1.142 186 E HN -0.055 nan 8.360 nan 0.000 0.408 187 F N 5.939 125.842 119.950 -0.079 0.000 2.569 187 F HA 0.114 4.641 4.527 -0.000 0.000 0.395 187 F C -0.637 175.115 175.800 -0.081 0.000 1.028 187 F CA 0.269 58.219 58.000 -0.084 0.000 1.158 187 F CB 0.143 39.085 39.000 -0.097 0.000 1.023 187 F HN 0.325 nan 8.300 nan 0.000 0.547 188 I N 9.287 129.371 120.570 -0.809 0.000 2.321 188 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 188 I C -2.034 173.430 176.117 -1.088 0.000 0.998 188 I CA -2.113 58.794 61.300 -0.656 0.000 1.227 188 I CB 1.195 38.953 38.000 -0.405 0.000 1.368 188 I HN 0.463 nan 8.210 nan 0.000 0.466 189 P HA 0.114 nan 4.420 nan 0.000 0.278 189 P C -1.119 176.004 177.300 -0.296 0.000 1.266 189 P CA -0.397 62.471 63.100 -0.387 0.000 0.807 189 P CB 1.045 32.778 31.700 0.055 0.000 1.094 190 D N 1.322 121.591 120.400 -0.218 0.000 2.312 190 D HA 0.093 4.733 4.640 -0.000 0.000 0.252 190 D C -1.281 174.895 176.300 -0.206 0.000 1.150 190 D CA -2.180 51.667 54.000 -0.255 0.000 0.870 190 D CB 0.406 41.032 40.800 -0.290 0.000 1.153 190 D HN 0.161 nan 8.370 nan 0.000 0.457 191 P HA -0.111 nan 4.420 nan 0.000 0.239 191 P C 0.594 177.783 177.300 -0.185 0.000 1.184 191 P CA 0.801 63.796 63.100 -0.175 0.000 0.760 191 P CB 0.387 31.983 31.700 -0.173 0.000 0.884 192 Q N -1.112 118.545 119.800 -0.239 0.000 2.376 192 Q HA 0.171 4.510 4.340 -0.000 0.000 0.206 192 Q C 1.331 177.218 176.000 -0.188 0.000 0.921 192 Q CA 0.863 56.505 55.803 -0.269 0.000 0.911 192 Q CB 0.137 28.630 28.738 -0.408 0.000 1.032 192 Q HN 0.313 nan 8.270 nan 0.000 0.510 193 G N 0.870 109.591 108.800 -0.132 0.000 2.179 193 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 193 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 193 G C 0.053 174.941 174.900 -0.020 0.000 0.990 193 G CA 0.067 45.145 45.100 -0.036 0.000 0.646 193 G HN 0.208 nan 8.290 nan 0.000 0.517 194 S N 2.023 117.640 115.700 -0.138 0.000 2.811 194 S HA 0.266 4.736 4.470 -0.000 0.000 0.325 194 S C 1.137 175.627 174.600 -0.184 0.000 1.224 194 S CA 0.693 58.670 58.200 -0.372 0.000 1.125 194 S CB 0.194 62.948 63.200 -0.743 0.000 0.867 194 S HN 0.900 nan 8.310 nan 0.000 0.512 195 N N 3.120 121.781 118.700 -0.065 0.000 2.547 195 N HA 0.300 5.040 4.740 -0.000 0.000 0.301 195 N C 0.785 176.329 175.510 0.056 0.000 1.328 195 N CA -0.572 52.494 53.050 0.026 0.000 0.932 195 N CB -0.215 38.320 38.487 0.081 0.000 1.104 195 N HN 0.304 nan 8.380 nan 0.000 0.548 196 M N -1.269 118.353 119.600 0.037 0.000 2.435 196 M HA 0.278 4.758 4.480 -0.000 0.000 0.265 196 M C 1.805 178.190 176.300 0.143 0.000 1.104 196 M CA 0.813 56.034 55.300 -0.132 0.000 1.140 196 M CB -0.927 31.347 32.600 -0.544 0.000 1.372 196 M HN 0.640 nan 8.290 nan 0.000 0.456 197 M N -0.888 118.932 119.600 0.368 0.000 2.080 197 M HA -0.198 4.282 4.480 -0.000 0.000 0.260 197 M C 1.862 178.625 176.300 0.772 0.000 1.068 197 M CA 1.777 57.414 55.300 0.562 0.000 1.109 197 M CB -0.582 32.285 32.600 0.446 0.000 1.342 197 M HN 0.301 nan 8.290 nan 0.000 0.405 198 F N 0.378 120.601 119.950 0.456 0.000 2.031 198 F HA -0.083 4.444 4.527 -0.000 0.000 0.295 198 F C 2.170 178.096 175.800 0.210 0.000 1.133 198 F CA 1.825 59.929 58.000 0.173 0.000 1.188 198 F CB -1.202 37.755 39.000 -0.072 0.000 0.974 198 F HN 0.160 nan 8.300 nan 0.000 0.473 199 A N 0.271 123.473 122.820 0.635 0.000 1.903 199 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 199 A C 2.154 179.879 177.584 0.235 0.000 1.191 199 A CA 2.197 54.453 52.037 0.364 0.000 0.638 199 A CB -1.634 17.410 19.000 0.074 0.000 0.823 199 A HN 0.478 nan 8.150 nan 0.000 0.451 200 F N -1.813 118.332 119.950 0.327 0.000 2.206 200 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 200 F C 1.968 178.044 175.800 0.461 0.000 1.090 200 F CA 0.471 58.661 58.000 0.317 0.000 1.323 200 F CB -1.024 38.135 39.000 0.266 0.000 1.028 200 F HN 0.329 nan 8.300 nan 0.000 0.492 201 F N 0.853 121.211 119.950 0.681 0.000 2.065 201 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 201 F C 2.408 178.305 175.800 0.161 0.000 1.112 201 F CA 1.756 59.896 58.000 0.233 0.000 1.212 201 F CB -0.702 38.342 39.000 0.073 0.000 0.975 201 F HN -0.082 nan 8.300 nan 0.000 0.476 202 A N -0.608 122.472 122.820 0.432 0.000 2.070 202 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 202 A C 2.165 179.902 177.584 0.255 0.000 1.159 202 A CA 1.731 54.023 52.037 0.425 0.000 0.656 202 A CB -0.902 18.329 19.000 0.385 0.000 0.800 202 A HN 0.657 nan 8.150 nan 0.000 0.453 203 Q N -1.295 118.628 119.800 0.205 0.000 2.020 203 Q HA -0.218 4.122 4.340 -0.000 0.000 0.198 203 Q C 2.040 177.991 176.000 -0.082 0.000 0.974 203 Q CA 1.699 57.501 55.803 -0.002 0.000 0.829 203 Q CB -0.293 28.448 28.738 0.005 0.000 0.894 203 Q HN 0.823 nan 8.270 nan 0.000 0.433 204 H N -0.087 118.892 119.070 -0.151 0.000 2.253 204 H HA -0.203 4.353 4.556 -0.000 0.000 0.296 204 H C 1.660 177.007 175.328 0.032 0.000 1.074 204 H CA 2.314 58.260 56.048 -0.170 0.000 1.263 204 H CB -0.831 28.782 29.762 -0.249 0.000 1.363 204 H HN 0.350 nan 8.280 nan 0.000 0.489 205 F N 1.331 121.101 119.950 -0.299 0.000 2.008 205 F HA -0.323 4.204 4.527 -0.000 0.000 0.297 205 F C 2.844 178.229 175.800 -0.691 0.000 1.156 205 F CA 3.163 60.887 58.000 -0.460 0.000 1.191 205 F CB -1.331 37.382 39.000 -0.478 0.000 0.955 205 F HN 0.405 nan 8.300 nan 0.000 0.497 206 T N -2.518 111.546 114.554 -0.818 0.000 2.946 206 T HA -0.263 4.086 4.350 -0.000 0.000 0.271 206 T C 1.436 175.443 174.700 -1.153 0.000 1.104 206 T CA 1.858 63.030 62.100 -1.547 0.000 1.114 206 T CB -1.031 67.321 68.868 -0.861 0.000 0.867 206 T HN 0.504 nan 8.240 nan 0.000 0.513 207 H N 1.378 120.103 119.070 -0.575 0.000 2.547 207 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 207 H C 2.356 177.523 175.328 -0.268 0.000 0.988 207 H CA 0.890 56.816 56.048 -0.203 0.000 1.147 207 H CB -0.098 29.790 29.762 0.210 0.000 1.365 207 H HN 0.796 nan 8.280 nan 0.000 0.589 208 Q N -0.423 119.045 119.800 -0.553 0.000 2.259 208 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 208 Q C 1.011 176.757 176.000 -0.423 0.000 0.938 208 Q CA 0.767 56.242 55.803 -0.545 0.000 0.872 208 Q CB -0.235 27.941 28.738 -0.937 0.000 0.971 208 Q HN 0.474 nan 8.270 nan 0.000 0.494 209 F N -0.827 118.739 119.950 -0.640 0.000 2.530 209 F HA 0.388 4.915 4.527 -0.000 0.000 0.292 209 F C 0.171 175.688 175.800 -0.473 0.000 1.109 209 F CA -0.841 56.791 58.000 -0.614 0.000 1.450 209 F CB -0.115 38.452 39.000 -0.721 0.000 1.114 209 F HN -0.203 nan 8.300 nan 0.000 0.560 210 F N 2.702 122.460 119.950 -0.319 0.000 2.391 210 F HA 0.522 5.049 4.527 -0.000 0.000 0.359 210 F C 0.124 175.759 175.800 -0.274 0.000 1.122 210 F CA -1.579 56.270 58.000 -0.251 0.000 1.120 210 F CB 0.929 39.631 39.000 -0.497 0.000 1.142 210 F HN -0.060 nan 8.300 nan 0.000 0.483 211 K N 1.699 122.148 120.400 0.080 0.000 3.429 211 K HA 0.128 4.448 4.320 -0.000 0.000 0.166 211 K C -0.484 176.111 176.600 -0.007 0.000 1.079 211 K CA -0.313 55.962 56.287 -0.020 0.000 0.750 211 K CB 0.847 33.291 32.500 -0.092 0.000 0.883 211 K HN 0.457 nan 8.250 nan 0.000 0.549 212 T N 1.505 116.082 114.554 0.039 0.000 2.923 212 T HA -0.121 4.229 4.350 -0.000 0.000 0.309 212 T C 0.230 174.724 174.700 -0.343 0.000 1.059 212 T CA 0.685 62.735 62.100 -0.083 0.000 1.133 212 T CB 0.207 68.963 68.868 -0.188 0.000 1.053 212 T HN 0.242 nan 8.240 nan 0.000 0.530 213 D N 1.100 121.389 120.400 -0.185 0.000 2.524 213 D HA 0.161 4.801 4.640 -0.000 0.000 0.222 213 D C 0.931 177.146 176.300 -0.140 0.000 1.142 213 D CA -0.446 53.467 54.000 -0.144 0.000 0.973 213 D CB -0.042 40.723 40.800 -0.059 0.000 1.025 213 D HN 0.603 nan 8.370 nan 0.000 0.519 214 H N 1.286 120.397 119.070 0.067 0.000 2.457 214 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 214 H C 1.784 177.126 175.328 0.024 0.000 1.092 214 H CA 1.269 57.354 56.048 0.061 0.000 1.309 214 H CB 0.516 30.308 29.762 0.051 0.000 1.382 214 H HN 0.253 nan 8.280 nan 0.000 0.535 215 K N 0.670 121.111 120.400 0.069 0.000 2.211 215 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 215 K C 1.972 178.537 176.600 -0.058 0.000 1.050 215 K CA 0.959 57.252 56.287 0.011 0.000 0.945 215 K CB -0.021 32.470 32.500 -0.015 0.000 0.732 215 K HN 0.210 nan 8.250 nan 0.000 0.451 216 R N 0.412 120.831 120.500 -0.136 0.000 2.075 216 R HA 0.121 4.461 4.340 -0.000 0.000 0.220 216 R C 0.526 176.740 176.300 -0.144 0.000 1.118 216 R CA 1.182 57.061 56.100 -0.369 0.000 0.986 216 R CB 0.349 30.144 30.300 -0.842 0.000 0.884 216 R HN 0.411 nan 8.270 nan 0.000 0.439 217 G N -1.073 107.791 108.800 0.107 0.000 2.347 217 G HA2 0.021 3.981 3.960 -0.000 0.000 0.321 217 G HA3 0.021 3.981 3.960 -0.000 0.000 0.321 217 G C -2.999 172.124 174.900 0.371 0.000 1.412 217 G CA -0.909 44.361 45.100 0.282 0.000 0.990 217 G HN -0.023 nan 8.290 nan 0.000 0.637 218 P HA 0.454 nan 4.420 nan 0.000 0.274 218 P C 1.043 178.472 177.300 0.215 0.000 1.237 218 P CA 1.561 64.784 63.100 0.206 0.000 0.793 218 P CB 1.320 33.084 31.700 0.107 0.000 0.977 219 G N 0.371 109.304 108.800 0.221 0.000 2.232 219 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 219 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 219 G C -0.322 174.734 174.900 0.259 0.000 0.996 219 G CA -0.440 44.753 45.100 0.154 0.000 0.626 219 G HN 0.423 nan 8.290 nan 0.000 0.509 220 F N 1.860 122.013 119.950 0.338 0.000 2.427 220 F HA 0.673 5.200 4.527 -0.000 0.000 0.346 220 F C 0.715 176.447 175.800 -0.113 0.000 1.120 220 F CA -0.005 58.067 58.000 0.120 0.000 1.033 220 F CB 2.149 41.210 39.000 0.101 0.000 1.126 220 F HN 0.045 nan 8.300 nan 0.000 0.462 221 T N 2.771 117.091 114.554 -0.391 0.000 2.934 221 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 221 T C 0.881 175.439 174.700 -0.236 0.000 1.005 221 T CA -0.681 61.067 62.100 -0.586 0.000 1.041 221 T CB 0.970 69.175 68.868 -1.104 0.000 1.042 221 T HN 0.844 nan 8.240 nan 0.000 0.505 222 R N 1.829 122.218 120.500 -0.184 0.000 2.437 222 R HA 0.294 4.634 4.340 -0.000 0.000 0.257 222 R C 0.757 176.976 176.300 -0.135 0.000 0.927 222 R CA -0.203 55.823 56.100 -0.124 0.000 1.078 222 R CB 0.060 30.301 30.300 -0.098 0.000 1.161 222 R HN 0.576 nan 8.270 nan 0.000 0.529 223 G N 1.902 110.589 108.800 -0.188 0.000 3.444 223 G HA2 0.295 4.255 3.960 -0.000 0.000 0.315 223 G HA3 0.295 4.255 3.960 -0.000 0.000 0.315 223 G C 0.517 175.328 174.900 -0.147 0.000 1.079 223 G CA -0.596 44.398 45.100 -0.175 0.000 1.500 223 G HN 0.144 nan 8.290 nan 0.000 0.518 224 L N 1.368 122.558 121.223 -0.055 0.000 2.551 224 L HA -0.027 4.313 4.340 -0.000 0.000 0.230 224 L C 2.673 179.612 176.870 0.115 0.000 1.163 224 L CA 0.851 55.733 54.840 0.070 0.000 0.826 224 L CB 0.087 42.135 42.059 -0.017 0.000 0.943 224 L HN 0.504 nan 8.230 nan 0.000 0.452 225 G N -2.140 106.666 108.800 0.010 0.000 2.484 225 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 225 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 225 G C 0.665 175.574 174.900 0.014 0.000 1.130 225 G CA 0.010 45.094 45.100 -0.027 0.000 0.784 225 G HN 0.644 nan 8.290 nan 0.000 0.543 226 H N -0.491 118.462 119.070 -0.195 0.000 2.741 226 H HA -0.177 4.379 4.556 -0.000 0.000 0.305 226 H C 1.098 176.234 175.328 -0.320 0.000 1.169 226 H CA 0.583 56.495 56.048 -0.227 0.000 1.144 226 H CB -1.315 28.326 29.762 -0.202 0.000 1.397 226 H HN 0.754 nan 8.280 nan 0.000 0.409 227 G N -1.452 107.165 108.800 -0.306 0.000 2.341 227 G HA2 0.272 4.232 3.960 -0.000 0.000 0.299 227 G HA3 0.272 4.232 3.960 -0.000 0.000 0.299 227 G C -0.611 174.028 174.900 -0.435 0.000 1.274 227 G CA -0.326 44.473 45.100 -0.502 0.000 0.853 227 G HN 0.138 nan 8.290 nan 0.000 0.493 228 V N 2.176 121.846 119.914 -0.406 0.000 2.180 228 V HA 0.175 4.295 4.120 -0.000 0.000 0.238 228 V C 0.625 176.614 176.094 -0.176 0.000 1.337 228 V CA 1.088 63.240 62.300 -0.247 0.000 1.338 228 V CB -0.355 31.384 31.823 -0.140 0.000 1.431 228 V HN 0.733 nan 8.190 nan 0.000 0.498 229 D N 2.507 122.789 120.400 -0.196 0.000 2.395 229 D HA 0.052 4.692 4.640 -0.000 0.000 0.213 229 D C 0.917 177.152 176.300 -0.107 0.000 1.110 229 D CA -0.467 53.456 54.000 -0.129 0.000 0.835 229 D CB 0.002 40.733 40.800 -0.114 0.000 0.965 229 D HN 0.347 nan 8.370 nan 0.000 0.505 230 L N 0.768 121.854 121.223 -0.228 0.000 3.781 230 L HA -0.341 3.999 4.340 -0.000 0.000 0.426 230 L C 1.119 177.993 176.870 0.007 0.000 1.197 230 L CA 0.719 55.452 54.840 -0.178 0.000 0.907 230 L CB -2.195 39.895 42.059 0.052 0.000 1.812 230 L HN 0.308 nan 8.230 nan 0.000 0.956 231 N N 0.791 119.392 118.700 -0.164 0.000 2.244 231 N HA -0.189 4.551 4.740 -0.000 0.000 0.183 231 N C 1.721 177.198 175.510 -0.054 0.000 1.016 231 N CA 1.823 54.833 53.050 -0.067 0.000 0.866 231 N CB -0.333 38.074 38.487 -0.134 0.000 0.980 231 N HN 0.761 nan 8.380 nan 0.000 0.430 232 H N -1.242 117.656 119.070 -0.288 0.000 2.457 232 H HA 0.070 4.625 4.556 -0.000 0.000 0.294 232 H C 1.646 176.761 175.328 -0.354 0.000 1.064 232 H CA 0.935 56.722 56.048 -0.434 0.000 1.330 232 H CB -0.114 29.311 29.762 -0.563 0.000 1.395 232 H HN 0.259 nan 8.280 nan 0.000 0.541 233 I N 0.117 120.672 120.570 -0.025 0.000 2.494 233 I HA -0.154 4.016 4.170 -0.000 0.000 0.250 233 I C 1.373 177.250 176.117 -0.401 0.000 1.112 233 I CA 0.721 61.812 61.300 -0.348 0.000 1.438 233 I CB -0.103 37.517 38.000 -0.634 0.000 1.111 233 I HN 0.167 nan 8.210 nan 0.000 0.431 234 Y N 1.255 121.548 120.300 -0.011 0.000 2.510 234 Y HA 0.388 4.938 4.550 -0.000 0.000 0.273 234 Y C 1.194 177.088 175.900 -0.009 0.000 1.119 234 Y CA 0.229 58.332 58.100 0.006 0.000 1.286 234 Y CB -0.071 38.419 38.460 0.050 0.000 1.061 234 Y HN 0.185 nan 8.280 nan 0.000 0.542 235 G N 0.375 109.216 108.800 0.068 0.000 2.770 235 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 235 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 235 G C -0.163 174.732 174.900 -0.008 0.000 1.180 235 G CA -0.579 44.526 45.100 0.009 0.000 0.767 235 G HN 0.089 nan 8.290 nan 0.000 0.646 236 E N -0.310 119.861 120.200 -0.048 0.000 2.072 236 E HA 0.097 4.447 4.350 -0.000 0.000 0.191 236 E C 2.028 178.596 176.600 -0.053 0.000 0.985 236 E CA 2.062 58.425 56.400 -0.061 0.000 0.801 236 E CB -0.030 29.625 29.700 -0.075 0.000 0.750 236 E HN 1.068 nan 8.360 nan 0.000 0.452 237 T N -2.203 112.320 114.554 -0.052 0.000 2.942 237 T HA 0.273 4.622 4.350 -0.000 0.000 0.289 237 T C 0.907 175.552 174.700 -0.091 0.000 1.044 237 T CA -0.909 61.153 62.100 -0.064 0.000 1.023 237 T CB 1.275 70.108 68.868 -0.058 0.000 1.123 237 T HN -0.037 nan 8.240 nan 0.000 0.512 238 L N 0.705 121.846 121.223 -0.135 0.000 2.191 238 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 238 L C 1.841 178.529 176.870 -0.305 0.000 1.103 238 L CA 2.487 57.160 54.840 -0.278 0.000 0.769 238 L CB -1.200 40.701 42.059 -0.264 0.000 0.908 238 L HN 1.003 nan 8.230 nan 0.000 0.438 239 D N -0.104 120.220 120.400 -0.126 0.000 2.097 239 D HA -0.267 4.373 4.640 -0.000 0.000 0.195 239 D C 2.343 178.644 176.300 0.001 0.000 0.989 239 D CA 1.551 55.532 54.000 -0.031 0.000 0.827 239 D CB -0.031 40.762 40.800 -0.012 0.000 0.966 239 D HN 0.222 nan 8.370 nan 0.000 0.456 240 R N -0.185 120.302 120.500 -0.023 0.000 2.073 240 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 240 R C 2.536 178.842 176.300 0.010 0.000 1.134 240 R CA 1.925 58.023 56.100 -0.003 0.000 0.952 240 R CB -0.365 29.924 30.300 -0.018 0.000 0.850 240 R HN 0.378 nan 8.270 nan 0.000 0.433 241 Q N -0.900 118.889 119.800 -0.019 0.000 2.234 241 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 241 Q C 1.346 177.364 176.000 0.030 0.000 0.980 241 Q CA 1.829 57.642 55.803 0.017 0.000 0.869 241 Q CB -0.199 28.534 28.738 -0.008 0.000 0.912 241 Q HN 0.470 nan 8.270 nan 0.000 0.436 242 H N 0.640 119.694 119.070 -0.027 0.000 2.436 242 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 242 H C 1.354 176.670 175.328 -0.021 0.000 1.048 242 H CA 1.221 57.277 56.048 0.013 0.000 1.353 242 H CB 0.228 30.108 29.762 0.196 0.000 1.414 242 H HN 0.366 nan 8.280 nan 0.000 0.536 243 K N 0.328 120.799 120.400 0.118 0.000 2.365 243 K HA 0.024 4.344 4.320 -0.000 0.000 0.199 243 K C 1.516 178.116 176.600 0.001 0.000 1.045 243 K CA 0.494 56.816 56.287 0.059 0.000 0.962 243 K CB 0.291 32.821 32.500 0.049 0.000 0.759 243 K HN 0.235 nan 8.250 nan 0.000 0.469 244 L N -0.266 120.944 121.223 -0.021 0.000 2.513 244 L HA 0.114 4.454 4.340 -0.000 0.000 0.222 244 L C 1.161 177.978 176.870 -0.089 0.000 1.096 244 L CA -0.112 54.709 54.840 -0.032 0.000 0.857 244 L CB 0.138 42.203 42.059 0.009 0.000 1.026 244 L HN 0.008 nan 8.230 nan 0.000 0.469 245 R N 0.621 120.976 120.500 -0.241 0.000 2.457 245 R HA 0.160 4.500 4.340 -0.000 0.000 0.284 245 R C 0.769 176.775 176.300 -0.491 0.000 1.024 245 R CA -0.316 55.532 56.100 -0.419 0.000 1.025 245 R CB 1.463 31.277 30.300 -0.810 0.000 1.063 245 R HN -0.056 nan 8.270 nan 0.000 0.493 246 L N 3.949 125.011 121.223 -0.268 0.000 2.341 246 L HA 0.161 4.501 4.340 -0.000 0.000 0.214 246 L C -0.375 176.497 176.870 0.005 0.000 1.115 246 L CA 0.871 55.642 54.840 -0.114 0.000 0.820 246 L CB -0.090 41.956 42.059 -0.022 0.000 0.944 246 L HN 0.758 nan 8.230 nan 0.000 0.452 247 F N 0.821 120.787 119.950 0.027 0.000 2.688 247 F HA -0.219 4.308 4.527 -0.000 0.000 0.276 247 F C 0.424 176.243 175.800 0.033 0.000 1.034 247 F CA 1.253 59.250 58.000 -0.004 0.000 0.991 247 F CB -1.568 37.387 39.000 -0.075 0.000 1.119 247 F HN 0.328 nan 8.300 nan 0.000 0.837 248 K N 1.439 121.971 120.400 0.220 0.000 2.487 248 K HA 0.215 4.535 4.320 -0.000 0.000 0.307 248 K C -0.096 176.618 176.600 0.189 0.000 1.160 248 K CA -0.300 56.092 56.287 0.174 0.000 1.087 248 K CB 0.734 33.312 32.500 0.129 0.000 1.390 248 K HN 0.230 nan 8.250 nan 0.000 0.453 249 D N 2.786 123.302 120.400 0.193 0.000 3.059 249 D HA -0.222 4.418 4.640 -0.000 0.000 0.220 249 D C 0.715 177.171 176.300 0.261 0.000 1.169 249 D CA 1.941 56.064 54.000 0.206 0.000 0.902 249 D CB -0.925 39.979 40.800 0.173 0.000 1.116 249 D HN 1.141 nan 8.370 nan 0.000 0.417 250 G N 0.140 109.126 108.800 0.311 0.000 2.220 250 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.269 250 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.269 250 G C 0.412 175.633 174.900 0.534 0.000 0.977 250 G CA 1.060 46.428 45.100 0.446 0.000 0.634 250 G HN 0.484 nan 8.290 nan 0.000 0.539 251 K N 0.235 120.867 120.400 0.387 0.000 2.469 251 K HA 0.348 4.668 4.320 -0.000 0.000 0.274 251 K C 0.622 177.410 176.600 0.312 0.000 0.983 251 K CA -0.447 56.079 56.287 0.398 0.000 0.974 251 K CB 0.548 33.234 32.500 0.310 0.000 0.913 251 K HN 0.063 nan 8.250 nan 0.000 0.493 252 L N 2.570 123.958 121.223 0.274 0.000 2.418 252 L HA 0.191 4.531 4.340 -0.000 0.000 0.265 252 L C 0.471 177.419 176.870 0.129 0.000 1.143 252 L CA -0.024 54.883 54.840 0.112 0.000 0.809 252 L CB 1.009 43.066 42.059 -0.003 0.000 1.124 252 L HN 0.548 nan 8.230 nan 0.000 0.456 253 K N 1.796 122.207 120.400 0.018 0.000 2.258 253 K HA 0.324 4.644 4.320 -0.000 0.000 0.264 253 K C -1.011 175.606 176.600 0.028 0.000 1.007 253 K CA 0.172 56.423 56.287 -0.060 0.000 0.941 253 K CB 0.604 33.051 32.500 -0.087 0.000 0.966 253 K HN 0.489 nan 8.250 nan 0.000 0.480 254 Y N -1.582 118.698 120.300 -0.034 0.000 2.871 254 Y HA 0.305 4.855 4.550 -0.000 0.000 0.331 254 Y C -1.952 173.914 175.900 -0.056 0.000 1.378 254 Y CA -1.253 56.811 58.100 -0.059 0.000 1.079 254 Y CB 0.714 39.143 38.460 -0.052 0.000 1.441 254 Y HN 0.612 nan 8.280 nan 0.000 0.446 255 Q N 0.450 120.433 119.800 0.306 0.000 2.418 255 Q HA 0.761 5.101 4.340 -0.000 0.000 0.282 255 Q C -2.270 173.886 176.000 0.260 0.000 1.044 255 Q CA -1.285 54.635 55.803 0.195 0.000 0.813 255 Q CB 2.980 31.738 28.738 0.034 0.000 1.428 255 Q HN 0.627 nan 8.270 nan 0.000 0.402 256 V N 3.239 123.277 119.914 0.206 0.000 2.311 256 V HA 0.398 4.518 4.120 -0.000 0.000 0.275 256 V C -0.308 175.881 176.094 0.158 0.000 1.022 256 V CA -0.391 62.009 62.300 0.166 0.000 0.830 256 V CB 0.740 32.641 31.823 0.130 0.000 1.012 256 V HN 0.683 nan 8.190 nan 0.000 0.452 257 I N 4.438 125.158 120.570 0.250 0.000 2.385 257 I HA 0.642 4.811 4.170 -0.000 0.000 0.294 257 I C 1.297 177.523 176.117 0.182 0.000 0.988 257 I CA 0.647 62.053 61.300 0.177 0.000 1.265 257 I CB 1.469 39.529 38.000 0.100 0.000 1.388 257 I HN 0.806 nan 8.210 nan 0.000 0.480 258 G N 4.788 113.648 108.800 0.099 0.000 2.596 258 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.304 258 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.304 258 G C 0.773 175.722 174.900 0.082 0.000 1.189 258 G CA 0.281 45.432 45.100 0.084 0.000 0.986 258 G HN 0.981 nan 8.290 nan 0.000 0.548 259 G N -0.041 108.806 108.800 0.079 0.000 3.377 259 G HA2 0.516 4.476 3.960 -0.000 0.000 0.257 259 G HA3 0.516 4.476 3.960 -0.000 0.000 0.257 259 G C 0.241 175.157 174.900 0.026 0.000 1.038 259 G CA 0.806 45.933 45.100 0.046 0.000 0.809 259 G HN 0.573 nan 8.290 nan 0.000 0.526 260 E N 0.059 120.296 120.200 0.062 0.000 2.232 260 E HA 0.478 4.827 4.350 -0.000 0.000 0.264 260 E C -0.626 175.869 176.600 -0.176 0.000 0.973 260 E CA -0.765 55.590 56.400 -0.075 0.000 0.849 260 E CB 2.496 32.145 29.700 -0.086 0.000 1.198 260 E HN -0.139 nan 8.360 nan 0.000 0.407 261 V N 2.185 121.850 119.914 -0.414 0.000 2.546 261 V HA 0.262 4.382 4.120 -0.000 0.000 0.284 261 V C -0.945 174.710 176.094 -0.732 0.000 1.050 261 V CA -0.023 62.026 62.300 -0.417 0.000 0.981 261 V CB 0.114 31.651 31.823 -0.477 0.000 0.990 261 V HN 0.491 nan 8.190 nan 0.000 0.474 262 Y N 3.704 123.937 120.300 -0.112 0.000 2.588 262 Y HA 0.466 5.016 4.550 -0.000 0.000 0.343 262 Y C -2.399 173.332 175.900 -0.282 0.000 1.065 262 Y CA -2.507 55.461 58.100 -0.220 0.000 1.038 262 Y CB 2.035 40.300 38.460 -0.325 0.000 1.297 262 Y HN 0.428 nan 8.280 nan 0.000 0.467 263 P HA 0.021 nan 4.420 nan 0.000 0.268 263 P C -2.519 174.589 177.300 -0.319 0.000 1.208 263 P CA -0.589 62.387 63.100 -0.207 0.000 0.777 263 P CB 0.084 31.697 31.700 -0.146 0.000 0.875 264 P HA 0.055 nan 4.420 nan 0.000 0.276 264 P C -0.511 176.739 177.300 -0.084 0.000 1.261 264 P CA -0.100 62.932 63.100 -0.113 0.000 0.800 264 P CB 0.151 31.814 31.700 -0.060 0.000 1.066 265 T N -2.382 112.148 114.554 -0.040 0.000 2.919 265 T HA 0.102 4.452 4.350 -0.000 0.000 0.302 265 T C 1.496 176.227 174.700 0.051 0.000 1.031 265 T CA -0.579 61.538 62.100 0.027 0.000 1.127 265 T CB 0.064 68.945 68.868 0.021 0.000 0.952 265 T HN 0.105 nan 8.240 nan 0.000 0.540 266 V N 2.355 122.324 119.914 0.093 0.000 2.392 266 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 266 V C 2.851 178.976 176.094 0.052 0.000 1.059 266 V CA 1.959 64.315 62.300 0.092 0.000 1.051 266 V CB -0.771 31.131 31.823 0.133 0.000 0.658 266 V HN 1.003 nan 8.190 nan 0.000 0.455 267 K N -0.058 120.364 120.400 0.037 0.000 2.020 267 K HA -0.290 4.030 4.320 -0.000 0.000 0.212 267 K C 1.921 178.531 176.600 0.016 0.000 1.050 267 K CA 2.498 58.797 56.287 0.021 0.000 0.929 267 K CB -0.278 32.229 32.500 0.012 0.000 0.714 267 K HN 0.610 nan 8.250 nan 0.000 0.443 268 D N -0.637 119.770 120.400 0.011 0.000 2.087 268 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 268 D C 1.862 178.166 176.300 0.007 0.000 0.980 268 D CA 2.677 56.678 54.000 0.003 0.000 0.849 268 D CB -0.247 40.547 40.800 -0.011 0.000 1.001 268 D HN 0.343 nan 8.370 nan 0.000 0.452 269 T N -3.302 111.257 114.554 0.008 0.000 2.881 269 T HA -0.153 4.196 4.350 -0.000 0.000 0.270 269 T C 1.369 176.083 174.700 0.023 0.000 1.068 269 T CA 1.581 63.688 62.100 0.012 0.000 1.131 269 T CB -0.313 68.561 68.868 0.011 0.000 0.871 269 T HN 0.315 nan 8.240 nan 0.000 0.479 270 Q N -0.467 119.349 119.800 0.027 0.000 2.342 270 Q HA -0.159 4.181 4.340 -0.000 0.000 0.196 270 Q C 0.161 176.180 176.000 0.031 0.000 0.629 270 Q CA 0.790 56.609 55.803 0.028 0.000 1.365 270 Q CB -2.438 26.314 28.738 0.024 0.000 1.406 270 Q HN 0.957 nan 8.270 nan 0.000 0.840 271 V N 0.122 120.056 119.914 0.034 0.000 2.572 271 V HA 0.264 4.384 4.120 -0.000 0.000 0.291 271 V C 0.432 176.547 176.094 0.034 0.000 1.039 271 V CA -0.198 62.119 62.300 0.028 0.000 1.055 271 V CB 1.214 33.051 31.823 0.023 0.000 0.969 271 V HN 0.222 nan 8.190 nan 0.000 0.482 272 E N 6.290 126.501 120.200 0.020 0.000 2.360 272 E HA 0.341 4.691 4.350 -0.000 0.000 0.269 272 E C -0.337 176.267 176.600 0.006 0.000 1.022 272 E CA -0.170 56.242 56.400 0.019 0.000 0.887 272 E CB 0.906 30.609 29.700 0.005 0.000 0.990 272 E HN 0.643 nan 8.360 nan 0.000 0.426 273 M N 2.034 121.643 119.600 0.015 0.000 2.658 273 M HA 0.437 4.917 4.480 -0.000 0.000 0.295 273 M C -0.608 175.619 176.300 -0.122 0.000 1.248 273 M CA -0.836 54.426 55.300 -0.064 0.000 0.843 273 M CB 1.791 34.383 32.600 -0.013 0.000 1.749 273 M HN 0.406 nan 8.290 nan 0.000 0.464 274 I N 1.980 122.387 120.570 -0.272 0.000 2.297 274 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 274 I C -1.470 174.408 176.117 -0.398 0.000 1.033 274 I CA -0.290 60.870 61.300 -0.232 0.000 1.253 274 I CB 0.307 38.211 38.000 -0.160 0.000 1.396 274 I HN 0.410 nan 8.210 nan 0.000 0.476 275 Y N 5.901 126.137 120.300 -0.107 0.000 2.470 275 Y HA 0.406 4.956 4.550 -0.000 0.000 0.341 275 Y C -2.363 173.381 175.900 -0.260 0.000 1.021 275 Y CA -2.710 55.289 58.100 -0.170 0.000 1.025 275 Y CB 1.658 40.047 38.460 -0.118 0.000 1.266 275 Y HN 0.418 nan 8.280 nan 0.000 0.448 276 P HA 0.093 nan 4.420 nan 0.000 0.268 276 P C -1.872 175.188 177.300 -0.400 0.000 1.204 276 P CA -1.010 61.825 63.100 -0.442 0.000 0.768 276 P CB 0.591 31.811 31.700 -0.801 0.000 0.842 277 P HA -0.256 nan 4.420 nan 0.000 0.217 277 P C 1.193 178.434 177.300 -0.098 0.000 1.148 277 P CA 1.744 64.773 63.100 -0.118 0.000 0.834 277 P CB -0.455 31.222 31.700 -0.038 0.000 0.783 278 H N -1.275 117.793 119.070 -0.003 0.000 2.524 278 H HA 0.042 4.598 4.556 -0.000 0.000 0.282 278 H C 0.924 176.245 175.328 -0.012 0.000 1.016 278 H CA -0.122 55.928 56.048 0.004 0.000 1.270 278 H CB -0.648 29.131 29.762 0.028 0.000 1.394 278 H HN 0.060 nan 8.280 nan 0.000 0.568 279 I N 4.410 124.853 120.570 -0.213 0.000 2.752 279 I HA -0.048 4.122 4.170 -0.000 0.000 0.289 279 I C -1.143 174.914 176.117 -0.100 0.000 1.197 279 I CA -1.249 59.965 61.300 -0.143 0.000 1.432 279 I CB 0.518 38.347 38.000 -0.285 0.000 1.359 279 I HN 0.160 nan 8.210 nan 0.000 0.571 280 P HA -0.056 nan 4.420 nan 0.000 0.252 280 P C 0.521 177.777 177.300 -0.075 0.000 1.265 280 P CA 0.358 63.425 63.100 -0.055 0.000 0.775 280 P CB 0.461 32.138 31.700 -0.039 0.000 1.128 281 E N 1.032 121.158 120.200 -0.124 0.000 4.986 281 E HA -0.318 4.032 4.350 -0.000 0.000 0.189 281 E C -0.006 176.540 176.600 -0.090 0.000 1.463 281 E CA 1.100 57.435 56.400 -0.108 0.000 2.419 281 E CB -1.522 28.147 29.700 -0.052 0.000 2.049 281 E HN 0.112 nan 8.360 nan 0.000 0.476 282 N N -1.736 116.943 118.700 -0.035 0.000 2.853 282 N HA -0.250 4.490 4.740 -0.000 0.000 0.239 282 N C 0.793 176.329 175.510 0.043 0.000 0.967 282 N CA 2.206 55.257 53.050 0.001 0.000 0.973 282 N CB -1.154 37.325 38.487 -0.013 0.000 1.104 282 N HN 0.458 nan 8.380 nan 0.000 0.602 283 L N -0.778 120.428 121.223 -0.029 0.000 3.689 283 L HA 0.134 4.473 4.340 -0.000 0.000 0.344 283 L C -0.052 176.644 176.870 -0.291 0.000 1.221 283 L CA -0.145 54.624 54.840 -0.117 0.000 1.171 283 L CB 0.424 42.293 42.059 -0.316 0.000 1.540 283 L HN -0.006 nan 8.230 nan 0.000 0.631 284 Q N 1.666 121.310 119.800 -0.260 0.000 2.641 284 Q HA 0.184 4.524 4.340 -0.000 0.000 0.225 284 Q C -0.760 175.382 176.000 0.237 0.000 1.309 284 Q CA -0.212 55.259 55.803 -0.554 0.000 0.935 284 Q CB 0.138 28.627 28.738 -0.416 0.000 1.557 284 Q HN 0.047 nan 8.270 nan 0.000 0.563 285 F N 0.580 120.572 119.950 0.071 0.000 2.572 285 F HA -0.001 4.526 4.527 -0.000 0.000 0.370 285 F C 1.256 177.194 175.800 0.231 0.000 1.103 285 F CA -0.430 57.666 58.000 0.160 0.000 1.286 285 F CB 0.267 39.354 39.000 0.145 0.000 1.105 285 F HN 0.467 nan 8.300 nan 0.000 0.583 286 A N 3.548 126.517 122.820 0.248 0.000 1.832 286 A HA 0.138 4.457 4.320 -0.000 0.000 0.214 286 A C 2.039 179.686 177.584 0.106 0.000 1.204 286 A CA 2.633 54.760 52.037 0.150 0.000 0.606 286 A CB -0.965 18.078 19.000 0.071 0.000 0.849 286 A HN 1.451 nan 8.150 nan 0.000 0.445 287 V N -3.919 116.043 119.914 0.080 0.000 0.506 287 V HA -0.362 3.758 4.120 -0.000 0.000 0.092 287 V C 1.931 178.006 176.094 -0.031 0.000 2.295 287 V CA 2.709 65.038 62.300 0.048 0.000 3.596 287 V CB -1.810 30.089 31.823 0.125 0.000 0.884 287 V HN 2.479 nan 8.190 nan 0.000 0.925 288 G N -0.758 108.007 108.800 -0.058 0.000 2.227 288 G HA2 0.065 4.025 3.960 -0.000 0.000 0.168 288 G HA3 0.065 4.025 3.960 -0.000 0.000 0.168 288 G C -0.116 174.668 174.900 -0.192 0.000 1.006 288 G CA 0.527 45.566 45.100 -0.102 0.000 0.684 288 G HN 1.570 nan 8.290 nan 0.000 0.489 289 Q N 1.111 120.736 119.800 -0.292 0.000 2.650 289 Q HA 0.267 4.607 4.340 -0.000 0.000 0.239 289 Q C 1.417 177.240 176.000 -0.296 0.000 0.893 289 Q CA 0.259 55.785 55.803 -0.461 0.000 0.755 289 Q CB 0.851 28.902 28.738 -1.145 0.000 1.349 289 Q HN 0.705 nan 8.270 nan 0.000 0.461 290 E N 0.762 120.860 120.200 -0.170 0.000 2.200 290 E HA -0.269 4.081 4.350 -0.000 0.000 0.211 290 E C 1.147 177.680 176.600 -0.112 0.000 1.048 290 E CA 1.888 58.216 56.400 -0.120 0.000 0.851 290 E CB -0.202 29.446 29.700 -0.086 0.000 0.747 290 E HN 0.294 nan 8.360 nan 0.000 0.462 291 V N 0.185 120.087 119.914 -0.020 0.000 2.871 291 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 291 V C 1.313 177.536 176.094 0.215 0.000 1.082 291 V CA 0.829 63.181 62.300 0.088 0.000 1.105 291 V CB -0.617 31.320 31.823 0.190 0.000 0.713 291 V HN 0.207 nan 8.190 nan 0.000 0.473 292 F N 1.308 121.219 119.950 -0.064 0.000 2.667 292 F HA 0.050 4.577 4.527 -0.000 0.000 0.295 292 F C 2.012 177.752 175.800 -0.100 0.000 1.185 292 F CA 0.698 58.667 58.000 -0.052 0.000 1.479 292 F CB -1.387 37.613 39.000 0.001 0.000 1.116 292 F HN 0.286 nan 8.300 nan 0.000 0.606 293 G N -0.750 108.015 108.800 -0.058 0.000 3.434 293 G HA2 0.269 4.229 3.960 -0.000 0.000 0.258 293 G HA3 0.269 4.229 3.960 -0.000 0.000 0.258 293 G C 0.896 175.784 174.900 -0.021 0.000 1.128 293 G CA -0.107 44.895 45.100 -0.164 0.000 0.792 293 G HN 0.353 nan 8.290 nan 0.000 0.539 294 L N 0.351 121.573 121.223 -0.003 0.000 3.066 294 L HA 0.442 4.782 4.340 -0.000 0.000 0.265 294 L C -0.551 176.294 176.870 -0.042 0.000 1.232 294 L CA -0.056 54.857 54.840 0.122 0.000 1.031 294 L CB 1.166 43.357 42.059 0.220 0.000 1.379 294 L HN -0.103 nan 8.230 nan 0.000 0.563 295 V N -0.130 119.653 119.914 -0.218 0.000 2.822 295 V HA 0.121 4.241 4.120 -0.000 0.000 0.275 295 V C -2.011 173.715 176.094 -0.614 0.000 1.267 295 V CA -0.469 61.563 62.300 -0.447 0.000 0.933 295 V CB 2.627 34.264 31.823 -0.311 0.000 1.082 295 V HN -0.086 nan 8.190 nan 0.000 0.465 296 P HA -0.085 nan 4.420 nan 0.000 0.227 296 P C 1.431 178.395 177.300 -0.561 0.000 1.145 296 P CA 1.526 64.227 63.100 -0.666 0.000 0.769 296 P CB 0.283 31.554 31.700 -0.715 0.000 0.769 297 G N -1.335 106.921 108.800 -0.906 0.000 2.453 297 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.215 297 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.215 297 G C 1.207 175.616 174.900 -0.818 0.000 1.147 297 G CA 0.264 44.524 45.100 -1.400 0.000 0.802 297 G HN 0.123 nan 8.290 nan 0.000 0.535 298 L N 0.087 120.915 121.223 -0.658 0.000 2.022 298 L HA 0.229 4.569 4.340 -0.000 0.000 0.204 298 L C 2.715 179.358 176.870 -0.378 0.000 1.076 298 L CA 1.490 55.993 54.840 -0.561 0.000 0.749 298 L CB -1.251 40.362 42.059 -0.743 0.000 0.903 298 L HN 0.232 nan 8.230 nan 0.000 0.439 299 M N -0.980 118.462 119.600 -0.264 0.000 2.255 299 M HA -0.271 4.209 4.480 -0.000 0.000 0.259 299 M C 2.175 178.400 176.300 -0.126 0.000 1.071 299 M CA 1.575 56.817 55.300 -0.096 0.000 1.074 299 M CB -0.386 32.174 32.600 -0.067 0.000 1.384 299 M HN 0.290 nan 8.290 nan 0.000 0.415 300 M N -1.508 117.936 119.600 -0.260 0.000 2.077 300 M HA -0.242 4.237 4.480 -0.000 0.000 0.261 300 M C 1.711 177.906 176.300 -0.175 0.000 1.070 300 M CA 1.877 57.005 55.300 -0.287 0.000 1.125 300 M CB -0.392 31.998 32.600 -0.349 0.000 1.339 300 M HN 0.273 nan 8.290 nan 0.000 0.409 301 Y N 0.529 120.681 120.300 -0.247 0.000 2.181 301 Y HA -0.065 4.485 4.550 -0.000 0.000 0.288 301 Y C 2.704 178.480 175.900 -0.207 0.000 1.146 301 Y CA 1.412 59.339 58.100 -0.288 0.000 1.164 301 Y CB -1.226 36.893 38.460 -0.567 0.000 0.982 301 Y HN 0.406 nan 8.280 nan 0.000 0.515 302 A N -1.162 121.616 122.820 -0.071 0.000 2.131 302 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 302 A C 2.156 179.817 177.584 0.127 0.000 1.158 302 A CA 2.179 54.303 52.037 0.145 0.000 0.665 302 A CB -0.878 18.268 19.000 0.244 0.000 0.795 302 A HN 0.442 nan 8.150 nan 0.000 0.460 303 T N -0.593 113.996 114.554 0.058 0.000 3.031 303 T HA 0.155 4.505 4.350 -0.000 0.000 0.254 303 T C 1.712 176.395 174.700 -0.029 0.000 1.060 303 T CA 0.740 62.843 62.100 0.005 0.000 1.135 303 T CB -0.195 68.658 68.868 -0.025 0.000 0.896 303 T HN 0.421 nan 8.240 nan 0.000 0.472 304 I N -0.344 120.214 120.570 -0.020 0.000 2.226 304 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 304 I C 2.092 178.174 176.117 -0.059 0.000 1.100 304 I CA 1.482 62.735 61.300 -0.078 0.000 1.374 304 I CB -0.239 37.712 38.000 -0.081 0.000 1.057 304 I HN 0.317 nan 8.210 nan 0.000 0.413 305 W N 0.651 121.975 121.300 0.041 0.000 2.418 305 W HA -0.076 4.584 4.660 -0.000 0.000 0.292 305 W C 2.474 179.000 176.519 0.012 0.000 1.213 305 W CA 0.464 57.833 57.345 0.041 0.000 1.283 305 W CB -0.262 29.225 29.460 0.045 0.000 1.119 305 W HN 0.079 nan 8.180 nan 0.000 0.542 306 L N 0.988 122.326 121.223 0.192 0.000 2.012 306 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 306 L C 2.451 179.373 176.870 0.087 0.000 1.073 306 L CA 1.877 56.773 54.840 0.094 0.000 0.748 306 L CB -0.376 41.703 42.059 0.033 0.000 0.891 306 L HN -0.045 nan 8.230 nan 0.000 0.431 307 R N -0.383 120.122 120.500 0.007 0.000 2.105 307 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 307 R C 2.197 178.500 176.300 0.006 0.000 1.135 307 R CA 1.574 57.639 56.100 -0.057 0.000 0.967 307 R CB -0.300 29.923 30.300 -0.127 0.000 0.861 307 R HN 0.393 nan 8.270 nan 0.000 0.442 308 E N -0.090 120.148 120.200 0.062 0.000 2.208 308 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 308 E C 1.501 178.201 176.600 0.166 0.000 0.988 308 E CA 1.234 57.688 56.400 0.090 0.000 0.828 308 E CB -0.039 29.708 29.700 0.079 0.000 0.763 308 E HN 0.410 nan 8.360 nan 0.000 0.478 309 H N 0.023 119.179 119.070 0.144 0.000 2.269 309 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 309 H C 1.864 177.262 175.328 0.115 0.000 1.058 309 H CA 2.493 58.630 56.048 0.148 0.000 1.246 309 H CB -0.202 29.641 29.762 0.135 0.000 1.376 309 H HN 0.042 nan 8.280 nan 0.000 0.503 310 Q N 0.243 120.182 119.800 0.232 0.000 2.268 310 Q HA -0.229 4.111 4.340 -0.000 0.000 0.213 310 Q C 2.431 178.462 176.000 0.051 0.000 0.995 310 Q CA 1.952 57.846 55.803 0.152 0.000 0.901 310 Q CB -0.314 28.494 28.738 0.115 0.000 0.921 310 Q HN 0.405 nan 8.270 nan 0.000 0.421 311 R N -0.564 119.951 120.500 0.025 0.000 2.070 311 R HA -0.126 4.213 4.340 -0.000 0.000 0.233 311 R C 1.996 178.297 176.300 0.001 0.000 1.137 311 R CA 1.605 57.707 56.100 0.004 0.000 0.945 311 R CB -0.317 29.981 30.300 -0.004 0.000 0.845 311 R HN 0.210 nan 8.270 nan 0.000 0.430 312 V N 0.378 120.287 119.914 -0.008 0.000 2.407 312 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 312 V C 2.555 178.643 176.094 -0.010 0.000 1.055 312 V CA 1.674 63.969 62.300 -0.008 0.000 1.049 312 V CB -0.366 31.454 31.823 -0.006 0.000 0.662 312 V HN 0.552 nan 8.190 nan 0.000 0.455 313 C N 0.107 119.387 119.300 -0.034 0.000 2.418 313 C HA -0.200 4.260 4.460 -0.000 0.000 0.280 313 C C 2.529 177.551 174.990 0.054 0.000 1.223 313 C CA 1.247 60.286 59.018 0.035 0.000 1.736 313 C CB -1.124 26.666 27.740 0.083 0.000 2.056 313 C HN 0.599 nan 8.230 nan 0.000 0.459 314 D N 0.474 120.901 120.400 0.045 0.000 2.271 314 D HA -0.107 4.533 4.640 -0.000 0.000 0.207 314 D C 1.823 178.124 176.300 0.002 0.000 0.983 314 D CA 1.155 55.175 54.000 0.033 0.000 0.878 314 D CB -0.350 40.466 40.800 0.027 0.000 0.920 314 D HN 0.549 nan 8.370 nan 0.000 0.479 315 I N -0.269 120.296 120.570 -0.009 0.000 2.277 315 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 315 I C 2.048 178.116 176.117 -0.081 0.000 1.094 315 I CA 0.231 61.509 61.300 -0.037 0.000 1.393 315 I CB -0.005 37.980 38.000 -0.025 0.000 1.078 315 I HN -0.022 nan 8.210 nan 0.000 0.417 316 L N 1.171 122.359 121.223 -0.058 0.000 1.994 316 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 316 L C 2.478 179.248 176.870 -0.166 0.000 1.071 316 L CA 1.793 56.555 54.840 -0.130 0.000 0.745 316 L CB -1.070 41.010 42.059 0.036 0.000 0.892 316 L HN 0.186 nan 8.230 nan 0.000 0.431 317 K N -1.015 119.376 120.400 -0.016 0.000 2.218 317 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 317 K C 2.105 178.683 176.600 -0.037 0.000 1.046 317 K CA 1.196 57.497 56.287 0.024 0.000 0.933 317 K CB 0.067 32.617 32.500 0.083 0.000 0.728 317 K HN 0.269 nan 8.250 nan 0.000 0.454 318 Q N 1.330 121.085 119.800 -0.076 0.000 1.969 318 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 318 Q C 1.696 177.606 176.000 -0.151 0.000 0.978 318 Q CA 1.571 57.325 55.803 -0.081 0.000 0.830 318 Q CB -0.223 28.471 28.738 -0.075 0.000 0.896 318 Q HN 0.284 nan 8.270 nan 0.000 0.431 319 E N 0.212 120.256 120.200 -0.260 0.000 2.219 319 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 319 E C 0.140 176.384 176.600 -0.594 0.000 0.998 319 E CA 0.965 57.100 56.400 -0.442 0.000 0.818 319 E CB -0.148 29.194 29.700 -0.597 0.000 0.741 319 E HN 0.511 nan 8.360 nan 0.000 0.477 320 H N -1.064 117.782 119.070 -0.373 0.000 2.448 320 H HA 0.145 4.701 4.556 -0.000 0.000 0.237 320 H C -1.859 173.355 175.328 -0.189 0.000 1.391 320 H CA -1.695 54.068 56.048 -0.476 0.000 1.477 320 H CB 1.314 30.273 29.762 -1.339 0.000 1.520 320 H HN -0.041 nan 8.280 nan 0.000 0.502 321 P HA -0.210 nan 4.420 nan 0.000 0.219 321 P C 0.786 178.150 177.300 0.106 0.000 1.146 321 P CA 1.159 64.291 63.100 0.053 0.000 0.808 321 P CB 0.291 32.013 31.700 0.036 0.000 0.779 322 E N -3.264 117.020 120.200 0.140 0.000 2.465 322 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 322 E C 0.038 176.840 176.600 0.337 0.000 1.053 322 E CA -0.183 56.332 56.400 0.192 0.000 0.869 322 E CB -0.671 29.125 29.700 0.160 0.000 0.977 322 E HN 0.194 nan 8.360 nan 0.000 0.483 323 W N 1.040 122.382 121.300 0.070 0.000 2.332 323 W HA 0.709 5.369 4.660 -0.000 0.000 0.351 323 W C 0.914 177.471 176.519 0.063 0.000 1.195 323 W CA -0.946 56.429 57.345 0.050 0.000 1.334 323 W CB 0.942 30.451 29.460 0.082 0.000 1.206 323 W HN 0.040 nan 8.180 nan 0.000 0.637 324 G N 0.174 109.114 108.800 0.233 0.000 2.537 324 G HA2 0.241 4.201 3.960 -0.000 0.000 0.323 324 G HA3 0.241 4.201 3.960 -0.000 0.000 0.323 324 G C 0.142 175.149 174.900 0.177 0.000 1.207 324 G CA -0.273 44.920 45.100 0.154 0.000 0.976 324 G HN 0.453 nan 8.290 nan 0.000 0.487 325 D N -0.389 120.111 120.400 0.167 0.000 2.205 325 D HA -0.226 4.414 4.640 -0.000 0.000 0.190 325 D C 1.884 178.327 176.300 0.239 0.000 1.002 325 D CA 1.921 56.050 54.000 0.215 0.000 0.848 325 D CB 0.135 41.060 40.800 0.208 0.000 0.975 325 D HN 0.369 nan 8.370 nan 0.000 0.449 326 E N -0.417 119.882 120.200 0.164 0.000 2.219 326 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 326 E C 1.991 178.676 176.600 0.142 0.000 0.998 326 E CA 0.884 57.374 56.400 0.150 0.000 0.818 326 E CB -0.147 29.591 29.700 0.063 0.000 0.741 326 E HN 0.589 nan 8.360 nan 0.000 0.477 327 Q N 0.012 119.836 119.800 0.040 0.000 2.123 327 Q HA -0.036 4.304 4.340 -0.000 0.000 0.196 327 Q C 2.448 178.481 176.000 0.054 0.000 0.958 327 Q CA 0.298 56.016 55.803 -0.142 0.000 0.841 327 Q CB 0.098 28.497 28.738 -0.566 0.000 0.915 327 Q HN 0.217 nan 8.270 nan 0.000 0.455 328 L N 0.233 121.636 121.223 0.300 0.000 2.013 328 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 328 L C 2.339 179.422 176.870 0.355 0.000 1.073 328 L CA 1.557 56.676 54.840 0.464 0.000 0.753 328 L CB -0.577 41.727 42.059 0.410 0.000 0.890 328 L HN 0.315 nan 8.230 nan 0.000 0.432 329 F N 0.613 120.696 119.950 0.222 0.000 2.010 329 F HA -0.304 4.223 4.527 -0.000 0.000 0.296 329 F C 2.816 178.719 175.800 0.171 0.000 1.146 329 F CA 1.744 59.891 58.000 0.244 0.000 1.181 329 F CB -0.357 38.767 39.000 0.207 0.000 0.965 329 F HN 0.040 nan 8.300 nan 0.000 0.480 330 Q N -0.009 120.051 119.800 0.433 0.000 2.217 330 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 330 Q C 2.124 178.191 176.000 0.111 0.000 0.988 330 Q CA 2.329 58.268 55.803 0.227 0.000 0.878 330 Q CB -1.183 27.662 28.738 0.178 0.000 0.909 330 Q HN 0.521 nan 8.270 nan 0.000 0.424 331 T N 0.017 114.661 114.554 0.151 0.000 2.896 331 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 331 T C 2.162 176.989 174.700 0.211 0.000 1.050 331 T CA 1.068 63.307 62.100 0.233 0.000 1.140 331 T CB -0.096 69.030 68.868 0.430 0.000 0.877 331 T HN 0.165 nan 8.240 nan 0.000 0.457 332 S N 1.556 117.315 115.700 0.100 0.000 2.354 332 S HA -0.136 4.334 4.470 -0.000 0.000 0.219 332 S C 2.002 176.624 174.600 0.036 0.000 1.035 332 S CA 1.403 59.591 58.200 -0.020 0.000 1.037 332 S CB -0.381 62.592 63.200 -0.378 0.000 0.956 332 S HN 0.529 nan 8.310 nan 0.000 0.428 333 K N 0.834 121.190 120.400 -0.073 0.000 2.242 333 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 333 K C 1.827 178.471 176.600 0.074 0.000 1.045 333 K CA 1.074 57.301 56.287 -0.101 0.000 0.930 333 K CB -0.230 31.932 32.500 -0.565 0.000 0.726 333 K HN 0.310 nan 8.250 nan 0.000 0.462 334 L N 0.166 121.486 121.223 0.162 0.000 2.084 334 L HA -0.082 4.258 4.340 -0.000 0.000 0.202 334 L C 2.326 179.405 176.870 0.349 0.000 1.074 334 L CA 0.827 55.855 54.840 0.314 0.000 0.757 334 L CB -0.295 42.028 42.059 0.440 0.000 0.918 334 L HN 0.188 nan 8.230 nan 0.000 0.444 335 I N -0.303 120.459 120.570 0.320 0.000 2.208 335 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 335 I C 2.408 178.629 176.117 0.174 0.000 1.097 335 I CA 1.135 62.547 61.300 0.186 0.000 1.363 335 I CB -0.284 37.825 38.000 0.180 0.000 1.051 335 I HN 0.208 nan 8.210 nan 0.000 0.413 336 L N 0.400 121.748 121.223 0.208 0.000 2.083 336 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 336 L C 2.360 179.313 176.870 0.138 0.000 1.083 336 L CA 1.718 56.704 54.840 0.243 0.000 0.752 336 L CB -0.619 41.609 42.059 0.282 0.000 0.899 336 L HN 0.208 nan 8.230 nan 0.000 0.433 337 I N -1.174 119.472 120.570 0.127 0.000 2.439 337 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 337 I C 2.435 178.619 176.117 0.111 0.000 1.139 337 I CA 1.247 62.597 61.300 0.083 0.000 1.438 337 I CB -1.225 36.836 38.000 0.102 0.000 1.085 337 I HN 0.340 nan 8.210 nan 0.000 0.427 338 G N 0.747 109.642 108.800 0.158 0.000 2.418 338 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 338 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 338 G C 1.548 176.537 174.900 0.148 0.000 1.158 338 G CA 0.412 45.618 45.100 0.176 0.000 0.771 338 G HN 0.398 nan 8.290 nan 0.000 0.545 339 E N -0.152 120.153 120.200 0.175 0.000 2.031 339 E HA -0.108 4.241 4.350 -0.000 0.000 0.193 339 E C 2.822 179.572 176.600 0.250 0.000 0.994 339 E CA 1.449 57.992 56.400 0.239 0.000 0.800 339 E CB -0.332 29.594 29.700 0.376 0.000 0.752 339 E HN 0.301 nan 8.360 nan 0.000 0.447 340 T N 1.672 116.375 114.554 0.249 0.000 2.665 340 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 340 T C 1.969 176.694 174.700 0.042 0.000 1.035 340 T CA 1.218 63.434 62.100 0.195 0.000 1.151 340 T CB -0.237 68.631 68.868 0.001 0.000 0.862 340 T HN 0.133 nan 8.240 nan 0.000 0.438 341 I N 0.645 121.148 120.570 -0.112 0.000 2.315 341 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 341 I C 2.509 178.258 176.117 -0.612 0.000 1.117 341 I CA 1.090 62.158 61.300 -0.387 0.000 1.404 341 I CB -0.310 37.350 38.000 -0.568 0.000 1.071 341 I HN 0.172 nan 8.210 nan 0.000 0.419 342 K N 2.050 122.172 120.400 -0.462 0.000 2.026 342 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 342 K C 1.900 178.467 176.600 -0.055 0.000 1.048 342 K CA 1.713 57.866 56.287 -0.222 0.000 0.929 342 K CB -0.314 32.250 32.500 0.106 0.000 0.713 342 K HN 0.230 nan 8.250 nan 0.000 0.439 343 I N 0.255 120.840 120.570 0.025 0.000 2.202 343 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 343 I C 2.025 178.136 176.117 -0.010 0.000 1.091 343 I CA 0.909 62.252 61.300 0.071 0.000 1.368 343 I CB -0.215 37.906 38.000 0.202 0.000 1.058 343 I HN -0.027 nan 8.210 nan 0.000 0.410 344 V N 0.973 120.820 119.914 -0.112 0.000 2.568 344 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 344 V C 2.134 178.150 176.094 -0.130 0.000 1.072 344 V CA 1.738 63.859 62.300 -0.299 0.000 1.084 344 V CB -0.315 31.130 31.823 -0.629 0.000 0.676 344 V HN 0.358 nan 8.190 nan 0.000 0.469 345 I N -0.843 119.673 120.570 -0.091 0.000 2.556 345 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 345 I C 2.310 178.448 176.117 0.036 0.000 1.105 345 I CA 0.853 62.145 61.300 -0.013 0.000 1.436 345 I CB -0.064 37.922 38.000 -0.023 0.000 1.139 345 I HN 0.260 nan 8.210 nan 0.000 0.438 346 E N 0.452 120.675 120.200 0.038 0.000 2.427 346 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 346 E C 0.609 177.256 176.600 0.078 0.000 1.028 346 E CA 0.653 57.083 56.400 0.050 0.000 0.864 346 E CB 0.310 30.042 29.700 0.053 0.000 0.813 346 E HN 0.499 nan 8.360 nan 0.000 0.514 347 D N -0.778 119.699 120.400 0.129 0.000 3.239 347 D HA -0.051 4.589 4.640 -0.000 0.000 0.265 347 D C 1.537 178.038 176.300 0.336 0.000 1.442 347 D CA 0.008 54.148 54.000 0.233 0.000 1.178 347 D CB -0.714 40.250 40.800 0.273 0.000 1.198 347 D HN -0.010 nan 8.370 nan 0.000 0.366 348 Y N 2.717 123.039 120.300 0.036 0.000 2.030 348 Y HA -0.262 4.288 4.550 -0.000 0.000 0.274 348 Y C 2.188 178.116 175.900 0.046 0.000 1.153 348 Y CA 1.787 59.751 58.100 -0.226 0.000 1.115 348 Y CB -0.558 37.557 38.460 -0.575 0.000 0.969 348 Y HN -0.205 nan 8.280 nan 0.000 0.488 349 V N 0.421 120.562 119.914 0.378 0.000 2.358 349 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 349 V C 2.349 178.504 176.094 0.102 0.000 1.047 349 V CA 2.044 64.504 62.300 0.266 0.000 1.035 349 V CB -0.820 31.124 31.823 0.201 0.000 0.658 349 V HN 0.482 nan 8.190 nan 0.000 0.452 350 Q N -0.137 119.716 119.800 0.090 0.000 2.077 350 Q HA -0.273 4.066 4.340 -0.000 0.000 0.206 350 Q C 2.271 178.298 176.000 0.045 0.000 0.989 350 Q CA 2.388 58.205 55.803 0.023 0.000 0.853 350 Q CB -0.482 28.283 28.738 0.046 0.000 0.907 350 Q HN 0.811 nan 8.270 nan 0.000 0.418 351 H N -0.388 118.711 119.070 0.049 0.000 2.261 351 H HA -0.127 4.429 4.556 -0.000 0.000 0.301 351 H C 1.794 177.110 175.328 -0.020 0.000 1.067 351 H CA 1.679 57.754 56.048 0.044 0.000 1.297 351 H CB -0.471 29.384 29.762 0.154 0.000 1.377 351 H HN 0.393 nan 8.280 nan 0.000 0.492 352 L N 1.862 123.207 121.223 0.203 0.000 2.357 352 L HA -0.183 4.157 4.340 -0.000 0.000 0.220 352 L C 2.738 179.582 176.870 -0.044 0.000 1.123 352 L CA 1.924 56.831 54.840 0.112 0.000 0.782 352 L CB -0.972 41.277 42.059 0.316 0.000 0.910 352 L HN 0.515 nan 8.230 nan 0.000 0.442 353 S N -1.202 114.397 115.700 -0.168 0.000 2.371 353 S HA 0.214 4.684 4.470 -0.000 0.000 0.219 353 S C 1.416 175.894 174.600 -0.203 0.000 1.040 353 S CA 0.397 58.354 58.200 -0.404 0.000 0.958 353 S CB -0.394 62.186 63.200 -1.034 0.000 0.860 353 S HN 0.769 nan 8.310 nan 0.000 0.487 354 G N 0.744 109.455 108.800 -0.149 0.000 2.401 354 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.283 354 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.283 354 G C -0.061 174.919 174.900 0.133 0.000 1.117 354 G CA 0.303 45.364 45.100 -0.066 0.000 1.051 354 G HN 0.454 nan 8.290 nan 0.000 0.510 355 Y N -1.104 119.076 120.300 -0.199 0.000 2.503 355 Y HA 0.209 4.759 4.550 -0.000 0.000 0.277 355 Y C 2.086 177.816 175.900 -0.282 0.000 1.102 355 Y CA 0.858 58.806 58.100 -0.253 0.000 1.261 355 Y CB -0.153 38.201 38.460 -0.177 0.000 1.096 355 Y HN 0.796 nan 8.280 nan 0.000 0.546 356 H N -3.498 115.506 119.070 -0.111 0.000 4.829 356 H HA -0.274 4.282 4.556 -0.000 0.000 0.080 356 H C 0.197 175.414 175.328 -0.186 0.000 0.582 356 H CA 0.658 56.605 56.048 -0.169 0.000 1.075 356 H CB -1.575 28.037 29.762 -0.251 0.000 0.466 356 H HN 0.168 nan 8.280 nan 0.000 0.746 357 F N 4.239 123.909 119.950 -0.467 0.000 2.438 357 F HA 0.338 4.865 4.527 -0.000 0.000 0.356 357 F C 0.207 175.959 175.800 -0.080 0.000 1.099 357 F CA -0.344 57.417 58.000 -0.397 0.000 1.185 357 F CB 0.569 39.067 39.000 -0.836 0.000 1.115 357 F HN -0.101 nan 8.300 nan 0.000 0.526 358 K N 7.615 127.565 120.400 -0.749 0.000 2.338 358 K HA 0.262 4.582 4.320 -0.000 0.000 0.290 358 K C -0.374 175.677 176.600 -0.914 0.000 1.069 358 K CA -0.258 55.656 56.287 -0.621 0.000 0.941 358 K CB 0.481 32.796 32.500 -0.307 0.000 1.023 358 K HN 0.661 nan 8.250 nan 0.000 0.477 359 L N 3.151 124.080 121.223 -0.490 0.000 2.483 359 L HA 0.113 4.453 4.340 -0.000 0.000 0.276 359 L C 0.435 177.215 176.870 -0.151 0.000 1.213 359 L CA 0.425 55.117 54.840 -0.248 0.000 0.843 359 L CB 0.299 42.324 42.059 -0.056 0.000 1.107 359 L HN 0.537 nan 8.230 nan 0.000 0.487 360 K N 2.287 122.663 120.400 -0.040 0.000 2.422 360 K HA 0.343 4.663 4.320 -0.000 0.000 0.251 360 K C -1.456 175.208 176.600 0.106 0.000 0.933 360 K CA -0.725 55.574 56.287 0.021 0.000 0.798 360 K CB 1.770 34.274 32.500 0.006 0.000 1.238 360 K HN 0.313 nan 8.250 nan 0.000 0.428 361 F N 4.287 124.211 119.950 -0.042 0.000 2.303 361 F HA 0.343 4.869 4.527 -0.000 0.000 0.368 361 F C -1.093 174.650 175.800 -0.094 0.000 1.105 361 F CA -0.917 57.041 58.000 -0.071 0.000 1.153 361 F CB 0.559 39.527 39.000 -0.053 0.000 1.362 361 F HN 0.459 nan 8.300 nan 0.000 0.511 362 D N 8.083 128.237 120.400 -0.409 0.000 2.346 362 D HA 0.375 5.015 4.640 -0.000 0.000 0.255 362 D C -2.151 173.770 176.300 -0.631 0.000 1.276 362 D CA -2.208 51.476 54.000 -0.527 0.000 0.941 362 D CB 1.901 42.568 40.800 -0.221 0.000 1.199 362 D HN 0.182 nan 8.370 nan 0.000 0.537 363 P HA -0.189 nan 4.420 nan 0.000 0.218 363 P C 0.719 177.441 177.300 -0.964 0.000 1.147 363 P CA 1.184 63.733 63.100 -0.919 0.000 0.827 363 P CB 0.329 31.177 31.700 -1.419 0.000 0.778 364 E N -0.694 118.866 120.200 -1.065 0.000 2.150 364 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 364 E C 1.878 178.193 176.600 -0.474 0.000 0.985 364 E CA 0.683 56.359 56.400 -1.207 0.000 0.814 364 E CB -0.610 28.722 29.700 -0.613 0.000 0.752 364 E HN 0.315 nan 8.360 nan 0.000 0.466 365 L N 0.636 121.681 121.223 -0.297 0.000 2.189 365 L HA -0.210 4.130 4.340 -0.000 0.000 0.214 365 L C 2.227 179.049 176.870 -0.079 0.000 1.097 365 L CA 0.960 55.728 54.840 -0.120 0.000 0.764 365 L CB -0.378 41.626 42.059 -0.091 0.000 0.900 365 L HN 0.179 nan 8.230 nan 0.000 0.436 366 L N -2.280 118.861 121.223 -0.136 0.000 2.477 366 L HA 0.012 4.352 4.340 -0.000 0.000 0.220 366 L C 2.139 179.158 176.870 0.249 0.000 1.106 366 L CA -0.171 54.649 54.840 -0.033 0.000 0.851 366 L CB -0.235 41.661 42.059 -0.272 0.000 0.994 366 L HN 0.113 nan 8.230 nan 0.000 0.462 367 F N 1.815 121.822 119.950 0.095 0.000 2.271 367 F HA -0.231 4.296 4.527 -0.000 0.000 0.302 367 F C 1.734 177.611 175.800 0.129 0.000 1.063 367 F CA 0.885 58.970 58.000 0.141 0.000 1.362 367 F CB -0.771 38.309 39.000 0.133 0.000 1.060 367 F HN 0.408 nan 8.300 nan 0.000 0.521 368 N N -0.482 118.391 118.700 0.289 0.000 2.541 368 N HA 0.078 4.818 4.740 -0.000 0.000 0.297 368 N C -0.570 175.039 175.510 0.166 0.000 1.503 368 N CA -0.078 53.092 53.050 0.200 0.000 0.919 368 N CB 0.288 38.875 38.487 0.166 0.000 1.305 368 N HN 0.123 nan 8.380 nan 0.000 0.501 369 Q N 0.081 119.994 119.800 0.189 0.000 2.456 369 Q HA 0.326 4.666 4.340 -0.000 0.000 0.283 369 Q C -0.636 175.489 176.000 0.208 0.000 1.084 369 Q CA -0.464 55.440 55.803 0.169 0.000 0.801 369 Q CB 1.781 30.605 28.738 0.143 0.000 1.434 369 Q HN 0.288 nan 8.270 nan 0.000 0.419 370 Q N 1.040 120.951 119.800 0.185 0.000 2.293 370 Q HA 0.545 4.885 4.340 -0.000 0.000 0.263 370 Q C -1.038 175.119 176.000 0.261 0.000 1.002 370 Q CA 0.158 56.071 55.803 0.184 0.000 0.910 370 Q CB 0.555 29.370 28.738 0.128 0.000 1.185 370 Q HN 0.435 nan 8.270 nan 0.000 0.401 371 F N 1.854 121.845 119.950 0.069 0.000 2.749 371 F HA 0.125 4.652 4.527 -0.000 0.000 0.339 371 F C -1.396 174.395 175.800 -0.015 0.000 1.211 371 F CA -0.833 57.158 58.000 -0.015 0.000 1.099 371 F CB 1.516 40.457 39.000 -0.099 0.000 1.359 371 F HN 0.324 nan 8.300 nan 0.000 0.549 372 Q N 5.857 125.261 119.800 -0.660 0.000 2.296 372 Q HA 0.099 4.439 4.340 -0.000 0.000 0.263 372 Q C -0.746 174.862 176.000 -0.652 0.000 1.026 372 Q CA 0.172 55.705 55.803 -0.451 0.000 0.912 372 Q CB 0.430 28.980 28.738 -0.313 0.000 1.198 372 Q HN 0.703 nan 8.270 nan 0.000 0.407 373 Y N 2.207 122.370 120.300 -0.229 0.000 3.007 373 Y HA 0.008 4.558 4.550 -0.000 0.000 0.390 373 Y C 0.902 176.747 175.900 -0.091 0.000 1.065 373 Y CA -0.123 57.928 58.100 -0.081 0.000 1.845 373 Y CB 0.150 38.660 38.460 0.084 0.000 1.828 373 Y HN 0.442 nan 8.280 nan 0.000 0.458 374 Q N -0.507 119.247 119.800 -0.076 0.000 2.528 374 Q HA 0.607 4.947 4.340 -0.000 0.000 0.289 374 Q C -1.590 174.341 176.000 -0.116 0.000 1.091 374 Q CA -1.320 54.446 55.803 -0.062 0.000 0.797 374 Q CB 2.653 31.362 28.738 -0.048 0.000 1.466 374 Q HN 0.256 nan 8.270 nan 0.000 0.436 375 N N -0.610 118.026 118.700 -0.107 0.000 2.745 375 N HA 0.524 5.264 4.740 -0.000 0.000 0.256 375 N C -2.207 173.246 175.510 -0.096 0.000 1.268 375 N CA -0.516 52.463 53.050 -0.117 0.000 0.887 375 N CB 2.303 40.705 38.487 -0.143 0.000 1.575 375 N HN 0.622 nan 8.380 nan 0.000 0.496 376 R N 2.267 122.735 120.500 -0.053 0.000 2.512 376 R HA 0.462 4.802 4.340 -0.000 0.000 0.291 376 R C -0.916 175.437 176.300 0.089 0.000 1.097 376 R CA -0.651 55.515 56.100 0.109 0.000 0.940 376 R CB 0.496 30.790 30.300 -0.010 0.000 1.198 376 R HN 0.628 nan 8.270 nan 0.000 0.429 377 I N 1.769 122.392 120.570 0.087 0.000 2.618 377 I HA 0.485 4.655 4.170 -0.000 0.000 0.284 377 I C 0.017 176.205 176.117 0.118 0.000 1.146 377 I CA -0.302 60.988 61.300 -0.016 0.000 1.425 377 I CB 1.261 39.267 38.000 0.010 0.000 1.383 377 I HN 0.633 nan 8.210 nan 0.000 0.562 378 A N 4.734 127.523 122.820 -0.051 0.000 2.310 378 A HA 0.454 4.773 4.320 -0.000 0.000 0.299 378 A C 1.232 178.796 177.584 -0.033 0.000 1.147 378 A CA -0.168 51.830 52.037 -0.064 0.000 0.818 378 A CB 0.920 19.722 19.000 -0.330 0.000 1.096 378 A HN 0.945 nan 8.150 nan 0.000 0.495 379 S N 1.837 117.513 115.700 -0.039 0.000 2.383 379 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 379 S C 1.328 175.901 174.600 -0.045 0.000 1.030 379 S CA 1.880 59.947 58.200 -0.222 0.000 1.002 379 S CB -0.490 62.634 63.200 -0.126 0.000 0.829 379 S HN 0.800 nan 8.310 nan 0.000 0.467 380 E N 0.960 121.222 120.200 0.103 0.000 2.097 380 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 380 E C 1.642 178.373 176.600 0.218 0.000 1.000 380 E CA 1.303 57.842 56.400 0.233 0.000 0.804 380 E CB -0.471 29.448 29.700 0.366 0.000 0.740 380 E HN 0.543 nan 8.360 nan 0.000 0.454 381 F N 1.639 121.489 119.950 -0.166 0.000 2.134 381 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 381 F C 1.986 177.713 175.800 -0.121 0.000 1.097 381 F CA 1.478 59.469 58.000 -0.016 0.000 1.264 381 F CB -0.398 38.500 39.000 -0.170 0.000 1.001 381 F HN 0.048 nan 8.300 nan 0.000 0.479 382 N N -0.893 117.614 118.700 -0.322 0.000 2.104 382 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 382 N C 1.732 176.809 175.510 -0.722 0.000 1.024 382 N CA 1.904 54.198 53.050 -1.260 0.000 0.853 382 N CB -0.164 37.766 38.487 -0.928 0.000 1.008 382 N HN 0.277 nan 8.380 nan 0.000 0.424 383 T N 2.034 116.446 114.554 -0.236 0.000 2.614 383 T HA -0.133 4.216 4.350 -0.000 0.000 0.263 383 T C 1.918 176.685 174.700 0.111 0.000 1.055 383 T CA 1.673 63.763 62.100 -0.017 0.000 1.162 383 T CB -0.373 68.416 68.868 -0.131 0.000 0.863 383 T HN 0.387 nan 8.240 nan 0.000 0.414 384 L N -0.825 120.440 121.223 0.071 0.000 2.447 384 L HA 0.018 4.358 4.340 -0.000 0.000 0.225 384 L C 1.743 178.640 176.870 0.045 0.000 1.148 384 L CA 1.581 56.489 54.840 0.113 0.000 0.808 384 L CB -1.172 40.956 42.059 0.115 0.000 0.928 384 L HN 0.185 nan 8.230 nan 0.000 0.448 385 Y N -0.555 119.523 120.300 -0.370 0.000 2.461 385 Y HA 0.151 4.701 4.550 -0.000 0.000 0.277 385 Y C 0.609 176.082 175.900 -0.712 0.000 1.182 385 Y CA -0.233 57.361 58.100 -0.843 0.000 1.276 385 Y CB -0.374 37.492 38.460 -0.991 0.000 1.087 385 Y HN 0.296 nan 8.280 nan 0.000 0.519 386 H N -0.748 118.237 119.070 -0.142 0.000 3.220 386 H HA -0.015 4.541 4.556 -0.000 0.000 0.225 386 H C -0.523 174.892 175.328 0.146 0.000 1.869 386 H CA -0.179 55.797 56.048 -0.120 0.000 1.428 386 H CB -0.681 29.045 29.762 -0.059 0.000 1.792 386 H HN 0.234 nan 8.280 nan 0.000 0.595 387 W N 1.126 122.382 121.300 -0.074 0.000 1.992 387 W HA 0.097 4.757 4.660 -0.000 0.000 0.449 387 W C 0.567 177.136 176.519 0.084 0.000 0.617 387 W CA -0.559 56.807 57.345 0.036 0.000 2.341 387 W CB -1.451 28.062 29.460 0.089 0.000 1.156 387 W HN 0.723 nan 8.180 nan 0.000 0.538 388 H N 0.640 119.956 119.070 0.411 0.000 2.422 388 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 388 H C -0.448 175.028 175.328 0.248 0.000 1.098 388 H CA 1.179 57.417 56.048 0.316 0.000 1.315 388 H CB -0.955 28.991 29.762 0.307 0.000 1.382 388 H HN 0.003 nan 8.280 nan 0.000 0.523 389 P HA -0.158 nan 4.420 nan 0.000 0.223 389 P C 1.077 178.449 177.300 0.120 0.000 1.144 389 P CA 1.091 64.277 63.100 0.143 0.000 0.783 389 P CB -0.022 31.702 31.700 0.040 0.000 0.771 390 L N -1.910 119.421 121.223 0.180 0.000 2.131 390 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 390 L C 1.171 178.136 176.870 0.158 0.000 1.092 390 L CA 0.440 55.367 54.840 0.145 0.000 0.759 390 L CB -0.682 41.514 42.059 0.228 0.000 0.903 390 L HN 0.007 nan 8.230 nan 0.000 0.435 391 L N 1.362 122.714 121.223 0.215 0.000 2.490 391 L HA 0.052 4.392 4.340 -0.000 0.000 0.274 391 L C -1.641 175.352 176.870 0.206 0.000 1.201 391 L CA -1.043 53.932 54.840 0.225 0.000 0.869 391 L CB 0.064 42.366 42.059 0.406 0.000 1.123 391 L HN -0.068 nan 8.230 nan 0.000 0.484 392 P HA 0.204 nan 4.420 nan 0.000 0.346 392 P C -0.523 176.645 177.300 -0.220 0.000 1.325 392 P CA -0.163 62.827 63.100 -0.183 0.000 0.803 392 P CB 1.287 32.682 31.700 -0.508 0.000 1.856 393 D N -1.825 118.343 120.400 -0.386 0.000 2.473 393 D HA 0.087 4.727 4.640 -0.000 0.000 0.230 393 D C 0.239 176.320 176.300 -0.364 0.000 1.097 393 D CA 0.914 54.700 54.000 -0.356 0.000 0.861 393 D CB 0.527 41.162 40.800 -0.275 0.000 1.114 393 D HN 0.417 nan 8.370 nan 0.000 0.500 394 T N -1.137 113.151 114.554 -0.444 0.000 2.906 394 T HA 0.598 4.948 4.350 -0.000 0.000 0.295 394 T C -0.759 173.611 174.700 -0.551 0.000 1.061 394 T CA -0.762 61.122 62.100 -0.360 0.000 1.000 394 T CB 1.628 70.369 68.868 -0.212 0.000 1.103 394 T HN -0.252 nan 8.240 nan 0.000 0.486 395 F N 1.624 121.468 119.950 -0.177 0.000 2.388 395 F HA 0.426 4.953 4.527 -0.000 0.000 0.358 395 F C 0.507 176.244 175.800 -0.104 0.000 1.122 395 F CA -0.973 56.828 58.000 -0.333 0.000 1.056 395 F CB 1.026 39.366 39.000 -1.101 0.000 1.155 395 F HN 0.575 nan 8.300 nan 0.000 0.461 396 N N 4.731 123.477 118.700 0.076 0.000 2.609 396 N HA 0.446 5.186 4.740 -0.000 0.000 0.234 396 N C -1.156 174.398 175.510 0.074 0.000 1.001 396 N CA -0.473 52.609 53.050 0.054 0.000 0.926 396 N CB 1.116 39.590 38.487 -0.021 0.000 1.130 396 N HN 0.389 nan 8.380 nan 0.000 0.510 397 I N 1.809 122.378 120.570 -0.002 0.000 2.287 397 I HA -0.000 4.170 4.170 -0.000 0.000 0.290 397 I C 0.536 176.585 176.117 -0.113 0.000 1.069 397 I CA -0.315 60.828 61.300 -0.262 0.000 1.237 397 I CB 0.426 37.997 38.000 -0.716 0.000 1.418 397 I HN 0.473 nan 8.210 nan 0.000 0.481 398 E N 5.336 125.511 120.200 -0.042 0.000 0.853 398 E HA -0.300 4.049 4.350 -0.000 0.000 0.299 398 E C -0.060 176.593 176.600 0.088 0.000 0.552 398 E CA 1.046 57.466 56.400 0.033 0.000 1.062 398 E CB -0.286 29.442 29.700 0.046 0.000 0.733 398 E HN 0.685 nan 8.360 nan 0.000 0.318 399 D N 0.228 120.657 120.400 0.049 0.000 1.598 399 D HA -0.123 4.517 4.640 -0.000 0.000 0.248 399 D C -0.550 175.747 176.300 -0.005 0.000 0.798 399 D CA 1.256 55.282 54.000 0.044 0.000 1.124 399 D CB -0.515 40.336 40.800 0.086 0.000 1.461 399 D HN 0.507 nan 8.370 nan 0.000 0.769 400 Q N 0.664 120.444 119.800 -0.033 0.000 2.495 400 Q HA 0.728 5.068 4.340 -0.000 0.000 0.283 400 Q C -0.682 175.180 176.000 -0.231 0.000 1.097 400 Q CA -0.551 55.127 55.803 -0.209 0.000 0.836 400 Q CB 1.996 30.470 28.738 -0.439 0.000 1.426 400 Q HN 0.114 nan 8.270 nan 0.000 0.459 401 E N 0.540 120.548 120.200 -0.320 0.000 2.246 401 E HA 0.471 4.821 4.350 -0.000 0.000 0.266 401 E C -1.446 175.026 176.600 -0.214 0.000 0.880 401 E CA -0.396 55.899 56.400 -0.175 0.000 0.762 401 E CB 1.628 31.244 29.700 -0.139 0.000 1.180 401 E HN 0.378 nan 8.360 nan 0.000 0.416 402 Y N 0.482 120.778 120.300 -0.006 0.000 2.468 402 Y HA 0.285 4.835 4.550 -0.000 0.000 0.342 402 Y C 0.793 176.753 175.900 0.100 0.000 1.021 402 Y CA -0.833 57.315 58.100 0.081 0.000 1.079 402 Y CB 1.790 40.363 38.460 0.188 0.000 1.226 402 Y HN 0.469 nan 8.280 nan 0.000 0.460 403 S N 0.584 116.469 115.700 0.309 0.000 2.655 403 S HA 0.275 4.745 4.470 -0.000 0.000 0.265 403 S C 0.627 175.535 174.600 0.514 0.000 1.240 403 S CA -0.515 57.848 58.200 0.271 0.000 0.986 403 S CB 0.455 63.753 63.200 0.164 0.000 0.985 403 S HN 0.488 nan 8.310 nan 0.000 0.562 404 F N 1.578 121.647 119.950 0.199 0.000 2.102 404 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 404 F C 2.134 178.037 175.800 0.172 0.000 1.105 404 F CA 1.358 59.531 58.000 0.289 0.000 1.239 404 F CB -1.229 37.889 39.000 0.195 0.000 0.991 404 F HN 0.529 nan 8.300 nan 0.000 0.474 405 K N 0.089 120.680 120.400 0.319 0.000 2.520 405 K HA -0.158 4.162 4.320 -0.000 0.000 0.197 405 K C 1.516 178.197 176.600 0.135 0.000 1.043 405 K CA 0.970 57.353 56.287 0.160 0.000 0.944 405 K CB -0.532 32.045 32.500 0.128 0.000 0.770 405 K HN 0.428 nan 8.250 nan 0.000 0.480 406 Q N -1.727 118.212 119.800 0.230 0.000 2.391 406 Q HA 0.184 4.524 4.340 -0.000 0.000 0.243 406 Q C 1.154 177.287 176.000 0.222 0.000 0.874 406 Q CA -0.039 55.913 55.803 0.247 0.000 0.950 406 Q CB 0.093 29.071 28.738 0.400 0.000 1.103 406 Q HN 0.203 nan 8.270 nan 0.000 0.544 407 F N 1.559 121.532 119.950 0.037 0.000 2.147 407 F HA 0.092 4.619 4.527 -0.000 0.000 0.291 407 F C 0.699 176.357 175.800 -0.236 0.000 1.093 407 F CA 0.325 58.247 58.000 -0.130 0.000 1.263 407 F CB -0.005 38.933 39.000 -0.104 0.000 1.036 407 F HN -0.106 nan 8.300 nan 0.000 0.481 408 L N 1.920 123.037 121.223 -0.177 0.000 2.615 408 L HA -0.174 4.165 4.340 -0.000 0.000 0.284 408 L C -0.160 176.316 176.870 -0.657 0.000 1.237 408 L CA 0.096 54.617 54.840 -0.532 0.000 0.905 408 L CB -0.906 40.688 42.059 -0.775 0.000 1.149 408 L HN 0.462 nan 8.230 nan 0.000 0.499 409 Y N 1.408 121.675 120.300 -0.055 0.000 3.037 409 Y HA -0.273 4.277 4.550 -0.000 0.000 0.204 409 Y C 0.080 175.961 175.900 -0.033 0.000 1.275 409 Y CA 0.163 58.259 58.100 -0.007 0.000 1.066 409 Y CB -2.252 36.253 38.460 0.075 0.000 1.305 409 Y HN 0.704 nan 8.280 nan 0.000 0.499 410 N N 1.341 119.984 118.700 -0.096 0.000 2.690 410 N HA 0.187 4.927 4.740 -0.000 0.000 0.255 410 N C 0.577 175.935 175.510 -0.254 0.000 1.195 410 N CA -0.189 52.783 53.050 -0.131 0.000 0.790 410 N CB 0.243 38.661 38.487 -0.115 0.000 1.216 410 N HN 0.519 nan 8.380 nan 0.000 0.528 411 N N 1.098 119.627 118.700 -0.285 0.000 2.142 411 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 411 N C 0.941 176.259 175.510 -0.320 0.000 1.023 411 N CA 1.748 54.545 53.050 -0.421 0.000 0.852 411 N CB -0.027 38.042 38.487 -0.696 0.000 0.998 411 N HN 0.229 nan 8.380 nan 0.000 0.424 412 S N 1.038 116.603 115.700 -0.225 0.000 2.393 412 S HA -0.251 4.219 4.470 -0.000 0.000 0.234 412 S C 1.882 176.454 174.600 -0.046 0.000 1.064 412 S CA 1.682 59.807 58.200 -0.124 0.000 1.088 412 S CB -0.829 62.335 63.200 -0.061 0.000 0.939 412 S HN 0.405 nan 8.310 nan 0.000 0.448 413 I N 1.055 121.598 120.570 -0.046 0.000 2.087 413 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 413 I C 2.480 178.742 176.117 0.242 0.000 1.054 413 I CA 1.520 62.863 61.300 0.071 0.000 1.311 413 I CB -0.544 37.345 38.000 -0.185 0.000 1.024 413 I HN 0.247 nan 8.210 nan 0.000 0.402 414 L N 0.611 121.827 121.223 -0.011 0.000 2.042 414 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 414 L C 2.279 179.048 176.870 -0.168 0.000 1.076 414 L CA 1.807 56.452 54.840 -0.325 0.000 0.749 414 L CB -0.448 41.264 42.059 -0.579 0.000 0.893 414 L HN 0.159 nan 8.230 nan 0.000 0.432 415 L N -0.824 120.296 121.223 -0.171 0.000 2.156 415 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 415 L C 2.526 179.365 176.870 -0.051 0.000 1.095 415 L CA 1.190 55.918 54.840 -0.188 0.000 0.770 415 L CB -0.474 41.438 42.059 -0.245 0.000 0.914 415 L HN 0.438 nan 8.230 nan 0.000 0.439 416 E N -0.626 119.590 120.200 0.027 0.000 2.299 416 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 416 E C 1.406 177.992 176.600 -0.025 0.000 0.998 416 E CA 0.838 57.247 56.400 0.015 0.000 0.851 416 E CB 0.302 30.030 29.700 0.046 0.000 0.795 416 E HN 0.587 nan 8.360 nan 0.000 0.492 417 H N -1.302 117.859 119.070 0.151 0.000 2.750 417 H HA 0.277 4.833 4.556 -0.000 0.000 0.263 417 H C 0.549 175.999 175.328 0.202 0.000 0.964 417 H CA 0.588 56.769 56.048 0.221 0.000 1.205 417 H CB 1.166 31.142 29.762 0.357 0.000 1.454 417 H HN 0.226 nan 8.280 nan 0.000 0.503 418 G N 0.138 109.069 108.800 0.218 0.000 2.755 418 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.686 418 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.686 418 G C 0.173 175.132 174.900 0.098 0.000 1.427 418 G CA -0.192 44.992 45.100 0.140 0.000 0.873 418 G HN 0.155 nan 8.290 nan 0.000 0.580 419 L N 1.218 122.442 121.223 0.002 0.000 2.209 419 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 419 L C 3.146 180.038 176.870 0.037 0.000 1.094 419 L CA 2.664 57.470 54.840 -0.057 0.000 0.790 419 L CB -0.835 41.141 42.059 -0.139 0.000 0.932 419 L HN 0.853 nan 8.230 nan 0.000 0.447 420 T N -2.161 112.416 114.554 0.038 0.000 2.674 420 T HA -0.235 4.115 4.350 -0.000 0.000 0.265 420 T C 1.445 176.184 174.700 0.066 0.000 1.039 420 T CA 0.856 62.977 62.100 0.035 0.000 1.150 420 T CB -0.293 68.591 68.868 0.028 0.000 0.864 420 T HN 0.040 nan 8.240 nan 0.000 0.427 421 Q N 0.161 120.026 119.800 0.107 0.000 2.945 421 Q HA 0.394 4.734 4.340 -0.000 0.000 0.323 421 Q C -0.322 175.756 176.000 0.130 0.000 1.188 421 Q CA -0.218 55.651 55.803 0.111 0.000 0.929 421 Q CB -0.880 27.943 28.738 0.142 0.000 1.531 421 Q HN 0.585 nan 8.270 nan 0.000 0.444 422 F N -1.946 117.910 119.950 -0.157 0.000 2.532 422 F HA 0.074 4.600 4.527 -0.000 0.000 0.372 422 F C 1.109 176.647 175.800 -0.436 0.000 0.806 422 F CA 0.118 57.887 58.000 -0.385 0.000 0.992 422 F CB 0.520 39.318 39.000 -0.338 0.000 0.990 422 F HN 0.071 nan 8.300 nan 0.000 0.632 423 V N 0.495 120.402 119.914 -0.012 0.000 2.407 423 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 423 V C 1.868 177.971 176.094 0.015 0.000 1.041 423 V CA 2.199 64.494 62.300 -0.009 0.000 1.040 423 V CB -0.195 31.616 31.823 -0.019 0.000 0.671 423 V HN 0.261 nan 8.190 nan 0.000 0.455 424 E N 0.196 120.404 120.200 0.014 0.000 2.051 424 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 424 E C 2.347 178.982 176.600 0.058 0.000 0.991 424 E CA 1.696 58.124 56.400 0.046 0.000 0.799 424 E CB -0.199 29.531 29.700 0.049 0.000 0.748 424 E HN 0.539 nan 8.360 nan 0.000 0.449 425 S N 0.530 116.231 115.700 0.002 0.000 2.399 425 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 425 S C 1.607 176.341 174.600 0.223 0.000 1.022 425 S CA 0.797 59.016 58.200 0.032 0.000 0.983 425 S CB -0.155 62.978 63.200 -0.111 0.000 0.803 425 S HN 0.174 nan 8.310 nan 0.000 0.480 426 F N 2.164 122.123 119.950 0.015 0.000 2.335 426 F HA 0.074 4.601 4.527 -0.000 0.000 0.296 426 F C 2.637 178.479 175.800 0.070 0.000 1.091 426 F CA 0.233 58.273 58.000 0.067 0.000 1.399 426 F CB -1.780 37.301 39.000 0.136 0.000 1.067 426 F HN 0.133 nan 8.300 nan 0.000 0.520 427 T N -0.097 114.595 114.554 0.230 0.000 2.849 427 T HA -0.164 4.186 4.350 -0.000 0.000 0.270 427 T C 0.853 175.636 174.700 0.138 0.000 1.066 427 T CA 1.074 63.251 62.100 0.128 0.000 1.130 427 T CB -0.233 68.670 68.868 0.057 0.000 0.864 427 T HN -0.098 nan 8.240 nan 0.000 0.481 428 R N 1.765 122.349 120.500 0.141 0.000 2.396 428 R HA 0.499 4.839 4.340 -0.000 0.000 0.292 428 R C -0.426 175.926 176.300 0.086 0.000 1.240 428 R CA -0.159 56.004 56.100 0.105 0.000 1.270 428 R CB 0.467 30.821 30.300 0.091 0.000 1.108 428 R HN 0.226 nan 8.270 nan 0.000 0.573 429 Q N 2.612 122.447 119.800 0.059 0.000 3.943 429 Q HA 0.108 4.448 4.340 -0.000 0.000 0.143 429 Q C -1.005 174.984 176.000 -0.018 0.000 0.840 429 Q CA -0.123 55.684 55.803 0.007 0.000 1.000 429 Q CB 0.538 29.285 28.738 0.014 0.000 1.524 429 Q HN 0.659 nan 8.270 nan 0.000 0.534 430 I N 1.749 122.317 120.570 -0.003 0.000 3.055 430 I HA 0.046 4.215 4.170 -0.000 0.000 0.308 430 I C 0.039 176.187 176.117 0.052 0.000 1.224 430 I CA 1.055 62.368 61.300 0.022 0.000 1.443 430 I CB 0.563 38.596 38.000 0.056 0.000 1.318 430 I HN 0.674 nan 8.210 nan 0.000 0.577 431 A N 5.663 128.518 122.820 0.058 0.000 2.322 431 A HA 0.715 5.035 4.320 -0.000 0.000 0.327 431 A C 0.092 177.752 177.584 0.126 0.000 1.134 431 A CA -0.086 52.015 52.037 0.107 0.000 0.831 431 A CB 0.953 19.958 19.000 0.007 0.000 1.288 431 A HN 0.877 nan 8.150 nan 0.000 0.472 432 G N -0.109 108.768 108.800 0.129 0.000 2.544 432 G HA2 0.421 4.381 3.960 -0.000 0.000 0.242 432 G HA3 0.421 4.381 3.960 -0.000 0.000 0.242 432 G C 0.228 174.968 174.900 -0.266 0.000 1.247 432 G CA -0.429 44.526 45.100 -0.241 0.000 0.840 432 G HN 0.845 nan 8.290 nan 0.000 0.578 433 R N 0.660 120.944 120.500 -0.359 0.000 2.594 433 R HA 0.223 4.563 4.340 -0.000 0.000 0.272 433 R C 0.965 177.094 176.300 -0.285 0.000 1.074 433 R CA -0.507 55.388 56.100 -0.343 0.000 1.105 433 R CB 0.885 30.992 30.300 -0.322 0.000 1.008 433 R HN 0.280 nan 8.270 nan 0.000 0.472 434 V N 3.011 122.733 119.914 -0.319 0.000 2.403 434 V HA 0.078 4.197 4.120 -0.000 0.000 0.239 434 V C 1.024 177.032 176.094 -0.144 0.000 1.041 434 V CA 1.431 63.608 62.300 -0.205 0.000 1.051 434 V CB -0.499 31.176 31.823 -0.246 0.000 0.704 434 V HN 0.893 nan 8.190 nan 0.000 0.472 435 A N -0.672 122.063 122.820 -0.142 0.000 2.267 435 A HA 0.578 4.897 4.320 -0.000 0.000 0.271 435 A C 1.432 178.938 177.584 -0.130 0.000 1.131 435 A CA 0.676 52.657 52.037 -0.092 0.000 0.818 435 A CB -0.035 18.946 19.000 -0.031 0.000 1.118 435 A HN 1.169 nan 8.150 nan 0.000 0.501 436 G N -1.546 107.189 108.800 -0.107 0.000 3.642 436 G HA2 0.424 4.384 3.960 -0.000 0.000 0.205 436 G HA3 0.424 4.384 3.960 -0.000 0.000 0.205 436 G C 1.110 175.947 174.900 -0.105 0.000 1.526 436 G CA 0.561 45.591 45.100 -0.115 0.000 1.097 436 G HN 2.904 nan 8.290 nan 0.000 0.596 437 G N -1.193 107.541 108.800 -0.110 0.000 2.358 437 G HA2 0.578 4.538 3.960 -0.000 0.000 0.303 437 G HA3 0.578 4.538 3.960 -0.000 0.000 0.303 437 G C -0.123 174.721 174.900 -0.093 0.000 1.537 437 G CA 0.260 45.304 45.100 -0.094 0.000 0.928 437 G HN 1.315 nan 8.290 nan 0.000 0.656 438 R N -0.200 120.257 120.500 -0.073 0.000 1.946 438 R HA -0.233 4.107 4.340 -0.000 0.000 0.197 438 R C 0.444 176.702 176.300 -0.070 0.000 0.624 438 R CA 0.984 57.048 56.100 -0.060 0.000 0.407 438 R CB -0.584 29.684 30.300 -0.052 0.000 1.447 438 R HN 0.388 nan 8.270 nan 0.000 0.555 439 N N -0.381 118.276 118.700 -0.072 0.000 2.238 439 N HA 0.078 4.818 4.740 -0.000 0.000 0.235 439 N C -0.963 174.538 175.510 -0.016 0.000 1.209 439 N CA -0.090 52.911 53.050 -0.083 0.000 0.879 439 N CB 1.073 39.465 38.487 -0.158 0.000 1.136 439 N HN 0.054 nan 8.380 nan 0.000 0.517 440 V N 2.602 122.526 119.914 0.016 0.000 2.405 440 V HA 0.309 4.429 4.120 -0.000 0.000 0.264 440 V C -2.031 174.096 176.094 0.055 0.000 1.048 440 V CA -1.513 60.832 62.300 0.074 0.000 0.966 440 V CB 0.909 32.788 31.823 0.094 0.000 1.015 440 V HN 0.108 nan 8.190 nan 0.000 0.477 441 P HA 0.056 nan 4.420 nan 0.000 0.261 441 P C 0.887 178.171 177.300 -0.027 0.000 1.183 441 P CA 0.081 63.179 63.100 -0.004 0.000 0.761 441 P CB 0.461 32.177 31.700 0.027 0.000 0.785 442 I N 3.363 123.892 120.570 -0.068 0.000 2.623 442 I HA -0.300 3.870 4.170 -0.000 0.000 0.261 442 I C 1.997 178.082 176.117 -0.052 0.000 1.204 442 I CA 1.658 62.927 61.300 -0.052 0.000 1.444 442 I CB -0.763 37.200 38.000 -0.062 0.000 1.094 442 I HN 0.387 nan 8.210 nan 0.000 0.451 443 A N -0.241 122.515 122.820 -0.108 0.000 1.835 443 A HA -0.038 4.282 4.320 -0.000 0.000 0.213 443 A C 1.923 179.560 177.584 0.088 0.000 1.210 443 A CA 1.157 53.175 52.037 -0.032 0.000 0.605 443 A CB -0.832 18.073 19.000 -0.158 0.000 0.860 443 A HN 0.153 nan 8.150 nan 0.000 0.447 444 V N 2.113 122.106 119.914 0.131 0.000 3.513 444 V HA -0.113 4.007 4.120 -0.000 0.000 0.311 444 V C 2.073 178.191 176.094 0.041 0.000 1.218 444 V CA 1.265 63.607 62.300 0.071 0.000 1.266 444 V CB -1.662 30.179 31.823 0.031 0.000 1.074 444 V HN 0.855 nan 8.190 nan 0.000 0.421 445 Q N 1.243 121.072 119.800 0.048 0.000 2.137 445 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 445 Q C 2.186 178.216 176.000 0.050 0.000 0.960 445 Q CA 1.521 57.354 55.803 0.051 0.000 0.847 445 Q CB -0.383 28.375 28.738 0.032 0.000 0.915 445 Q HN 0.442 nan 8.270 nan 0.000 0.448 446 A N 1.235 124.080 122.820 0.041 0.000 1.948 446 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 446 A C 2.273 179.874 177.584 0.028 0.000 1.177 446 A CA 1.747 53.804 52.037 0.034 0.000 0.636 446 A CB -0.938 18.085 19.000 0.038 0.000 0.815 446 A HN 0.271 nan 8.150 nan 0.000 0.449 447 V N -0.272 119.660 119.914 0.030 0.000 2.216 447 V HA -0.237 3.882 4.120 -0.000 0.000 0.242 447 V C 3.040 179.159 176.094 0.041 0.000 1.042 447 V CA 2.054 64.374 62.300 0.034 0.000 0.991 447 V CB -1.479 30.339 31.823 -0.008 0.000 0.633 447 V HN 0.612 nan 8.190 nan 0.000 0.449 448 A N -0.668 122.231 122.820 0.132 0.000 2.042 448 A HA -0.294 4.026 4.320 -0.000 0.000 0.222 448 A C 2.311 179.971 177.584 0.127 0.000 1.167 448 A CA 2.194 54.362 52.037 0.219 0.000 0.649 448 A CB -0.554 18.666 19.000 0.367 0.000 0.809 448 A HN 0.449 nan 8.150 nan 0.000 0.457 449 K N -0.224 120.218 120.400 0.070 0.000 2.001 449 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 449 K C 2.314 178.904 176.600 -0.017 0.000 1.048 449 K CA 1.338 57.651 56.287 0.043 0.000 0.932 449 K CB -0.583 31.936 32.500 0.031 0.000 0.715 449 K HN 0.371 nan 8.250 nan 0.000 0.437 450 A N 1.080 123.873 122.820 -0.043 0.000 1.859 450 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 450 A C 2.342 179.811 177.584 -0.191 0.000 1.198 450 A CA 2.595 54.581 52.037 -0.086 0.000 0.629 450 A CB -1.049 17.910 19.000 -0.069 0.000 0.830 450 A HN 0.419 nan 8.150 nan 0.000 0.446 451 S N -0.336 115.162 115.700 -0.336 0.000 2.400 451 S HA -0.212 4.258 4.470 -0.000 0.000 0.234 451 S C 1.774 176.056 174.600 -0.530 0.000 1.049 451 S CA 1.749 59.540 58.200 -0.681 0.000 1.039 451 S CB -0.595 61.798 63.200 -1.344 0.000 0.856 451 S HN 0.522 nan 8.310 nan 0.000 0.465 452 I N 1.329 121.752 120.570 -0.246 0.000 2.202 452 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 452 I C 2.019 178.086 176.117 -0.084 0.000 1.091 452 I CA 1.171 62.439 61.300 -0.055 0.000 1.368 452 I CB -0.419 37.639 38.000 0.095 0.000 1.058 452 I HN 0.199 nan 8.210 nan 0.000 0.410 453 D N 0.525 120.878 120.400 -0.078 0.000 2.144 453 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 453 D C 2.205 178.459 176.300 -0.077 0.000 0.984 453 D CA 1.265 55.232 54.000 -0.056 0.000 0.834 453 D CB -0.197 40.579 40.800 -0.039 0.000 0.955 453 D HN 0.481 nan 8.370 nan 0.000 0.465 454 Q N 0.362 120.083 119.800 -0.132 0.000 1.994 454 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 454 Q C 2.367 178.265 176.000 -0.169 0.000 0.976 454 Q CA 0.931 56.658 55.803 -0.127 0.000 0.828 454 Q CB -0.088 28.564 28.738 -0.145 0.000 0.894 454 Q HN 0.049 nan 8.270 nan 0.000 0.432 455 S N 0.629 116.125 115.700 -0.341 0.000 2.423 455 S HA -0.168 4.302 4.470 -0.000 0.000 0.238 455 S C 1.746 176.251 174.600 -0.158 0.000 1.028 455 S CA 0.957 58.825 58.200 -0.553 0.000 1.000 455 S CB -0.137 62.553 63.200 -0.850 0.000 0.797 455 S HN 0.247 nan 8.310 nan 0.000 0.487 456 R N 1.426 121.876 120.500 -0.083 0.000 2.061 456 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 456 R C 2.394 178.714 176.300 0.034 0.000 1.140 456 R CA 1.697 57.801 56.100 0.007 0.000 0.940 456 R CB -0.808 29.494 30.300 0.003 0.000 0.839 456 R HN 0.759 nan 8.270 nan 0.000 0.429 457 E N 0.444 120.652 120.200 0.014 0.000 2.204 457 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 457 E C 1.482 178.106 176.600 0.040 0.000 0.989 457 E CA 0.745 57.161 56.400 0.027 0.000 0.824 457 E CB -0.203 29.510 29.700 0.022 0.000 0.756 457 E HN 0.230 nan 8.360 nan 0.000 0.477 458 M N 1.158 120.798 119.600 0.067 0.000 2.696 458 M HA 0.087 4.567 4.480 -0.000 0.000 0.220 458 M C -0.180 176.205 176.300 0.142 0.000 1.133 458 M CA 0.431 55.793 55.300 0.104 0.000 1.016 458 M CB -0.355 32.373 32.600 0.214 0.000 1.740 458 M HN -0.009 nan 8.290 nan 0.000 0.502 459 K N 0.281 120.749 120.400 0.113 0.000 3.100 459 K HA -0.221 4.098 4.320 -0.000 0.000 0.261 459 K C -0.534 176.149 176.600 0.139 0.000 0.920 459 K CA 0.672 57.017 56.287 0.097 0.000 0.683 459 K CB -1.955 30.560 32.500 0.025 0.000 1.349 459 K HN 0.282 nan 8.250 nan 0.000 0.473 460 Y N 0.861 121.179 120.300 0.030 0.000 2.452 460 Y HA -0.083 4.466 4.550 -0.000 0.000 0.355 460 Y C 1.593 177.569 175.900 0.127 0.000 1.266 460 Y CA 0.660 58.819 58.100 0.098 0.000 1.514 460 Y CB 0.372 38.883 38.460 0.085 0.000 1.363 460 Y HN 0.208 nan 8.280 nan 0.000 0.677 461 Q N -0.601 119.413 119.800 0.357 0.000 2.418 461 Q HA 0.358 4.698 4.340 -0.000 0.000 0.276 461 Q C -0.663 175.527 176.000 0.317 0.000 1.081 461 Q CA -1.025 54.911 55.803 0.222 0.000 0.864 461 Q CB 1.841 30.559 28.738 -0.033 0.000 1.384 461 Q HN 0.677 nan 8.270 nan 0.000 0.467 462 S N 0.199 115.995 115.700 0.160 0.000 2.558 462 S HA -0.069 4.401 4.470 -0.000 0.000 0.291 462 S C 1.007 175.736 174.600 0.215 0.000 1.306 462 S CA -0.215 58.067 58.200 0.136 0.000 1.056 462 S CB 0.302 63.531 63.200 0.048 0.000 0.836 462 S HN 0.588 nan 8.310 nan 0.000 0.504 463 L N 5.170 126.471 121.223 0.130 0.000 2.127 463 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 463 L C 1.814 178.723 176.870 0.064 0.000 1.089 463 L CA 2.183 57.087 54.840 0.107 0.000 0.757 463 L CB -0.987 41.068 42.059 -0.007 0.000 0.899 463 L HN 0.858 nan 8.230 nan 0.000 0.434 464 N N -0.770 117.930 118.700 -0.001 0.000 2.084 464 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 464 N C 1.662 177.155 175.510 -0.029 0.000 1.030 464 N CA 1.229 54.247 53.050 -0.054 0.000 0.849 464 N CB -0.075 38.374 38.487 -0.063 0.000 1.012 464 N HN 0.376 nan 8.380 nan 0.000 0.423 465 E N 0.611 120.800 120.200 -0.019 0.000 2.049 465 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 465 E C 1.774 178.320 176.600 -0.089 0.000 1.007 465 E CA 1.364 57.708 56.400 -0.092 0.000 0.809 465 E CB -0.596 29.007 29.700 -0.163 0.000 0.749 465 E HN 0.550 nan 8.360 nan 0.000 0.450 466 Y N 0.828 121.134 120.300 0.010 0.000 2.274 466 Y HA -0.139 4.411 4.550 -0.000 0.000 0.290 466 Y C 2.613 178.564 175.900 0.086 0.000 1.145 466 Y CA 1.244 59.390 58.100 0.076 0.000 1.203 466 Y CB -0.119 38.366 38.460 0.042 0.000 0.984 466 Y HN 0.000 nan 8.280 nan 0.000 0.533 467 R N 0.214 120.786 120.500 0.118 0.000 2.066 467 R HA -0.138 4.201 4.340 -0.000 0.000 0.232 467 R C 2.099 178.424 176.300 0.041 0.000 1.131 467 R CA 1.609 57.722 56.100 0.021 0.000 0.955 467 R CB -0.198 30.017 30.300 -0.142 0.000 0.851 467 R HN 0.295 nan 8.270 nan 0.000 0.432 468 K N 0.107 120.504 120.400 -0.005 0.000 2.032 468 K HA -0.193 4.126 4.320 -0.000 0.000 0.209 468 K C 2.104 178.693 176.600 -0.017 0.000 1.048 468 K CA 1.422 57.689 56.287 -0.033 0.000 0.927 468 K CB -0.193 32.262 32.500 -0.075 0.000 0.712 468 K HN -0.077 nan 8.250 nan 0.000 0.441 469 R N 1.147 121.646 120.500 -0.001 0.000 2.096 469 R HA -0.132 4.208 4.340 -0.000 0.000 0.240 469 R C 1.071 177.299 176.300 -0.119 0.000 1.139 469 R CA 1.630 57.695 56.100 -0.058 0.000 0.952 469 R CB -0.633 29.652 30.300 -0.024 0.000 0.854 469 R HN 0.136 nan 8.270 nan 0.000 0.436 470 F N 1.018 120.933 119.950 -0.059 0.000 2.696 470 F HA 0.263 4.790 4.527 -0.000 0.000 0.296 470 F C 0.449 176.224 175.800 -0.042 0.000 1.181 470 F CA 0.248 58.204 58.000 -0.074 0.000 1.411 470 F CB -0.207 38.737 39.000 -0.093 0.000 1.014 470 F HN -0.043 nan 8.300 nan 0.000 0.512 471 S N 0.515 116.257 115.700 0.069 0.000 3.749 471 S HA -0.191 4.278 4.470 -0.000 0.000 0.348 471 S C -0.107 174.534 174.600 0.069 0.000 1.045 471 S CA 0.190 58.431 58.200 0.069 0.000 1.051 471 S CB -2.094 61.178 63.200 0.120 0.000 0.898 471 S HN 0.305 nan 8.310 nan 0.000 0.472 472 L N 0.244 121.495 121.223 0.047 0.000 2.334 472 L HA 0.502 4.842 4.340 -0.000 0.000 0.273 472 L C 0.572 177.421 176.870 -0.036 0.000 1.013 472 L CA -0.849 53.997 54.840 0.010 0.000 0.816 472 L CB 1.183 43.234 42.059 -0.013 0.000 1.278 472 L HN -0.002 nan 8.230 nan 0.000 0.431 473 K N 3.233 123.608 120.400 -0.042 0.000 2.297 473 K HA 0.261 4.581 4.320 -0.000 0.000 0.286 473 K C -2.246 174.282 176.600 -0.120 0.000 1.053 473 K CA -1.536 54.720 56.287 -0.051 0.000 0.940 473 K CB 0.820 33.313 32.500 -0.010 0.000 1.019 473 K HN 0.282 nan 8.250 nan 0.000 0.475 474 P HA -0.070 nan 4.420 nan 0.000 0.269 474 P C -0.877 176.378 177.300 -0.074 0.000 1.209 474 P CA -0.005 62.999 63.100 -0.160 0.000 0.776 474 P CB 0.341 31.985 31.700 -0.094 0.000 0.876 475 Y N 1.115 121.381 120.300 -0.057 0.000 2.544 475 Y HA -0.007 4.543 4.550 -0.000 0.000 0.330 475 Y C 2.149 178.001 175.900 -0.080 0.000 1.136 475 Y CA 0.193 58.249 58.100 -0.073 0.000 1.417 475 Y CB -0.477 37.916 38.460 -0.112 0.000 1.229 475 Y HN 0.388 nan 8.280 nan 0.000 0.532 476 T N -1.915 112.720 114.554 0.135 0.000 3.088 476 T HA 0.125 4.475 4.350 -0.000 0.000 0.259 476 T C 0.225 174.950 174.700 0.042 0.000 1.122 476 T CA 0.542 62.678 62.100 0.060 0.000 1.095 476 T CB -0.193 68.707 68.868 0.053 0.000 0.930 476 T HN 0.491 nan 8.240 nan 0.000 0.508 477 S N -0.643 115.073 115.700 0.025 0.000 2.543 477 S HA 0.527 4.997 4.470 -0.000 0.000 0.274 477 S C -0.142 174.465 174.600 0.011 0.000 1.149 477 S CA -1.000 57.237 58.200 0.062 0.000 0.866 477 S CB 0.351 63.604 63.200 0.088 0.000 1.111 477 S HN -0.087 nan 8.310 nan 0.000 0.457 478 F N 1.294 121.225 119.950 -0.031 0.000 2.250 478 F HA -0.014 4.513 4.527 -0.000 0.000 0.301 478 F C 2.252 177.984 175.800 -0.115 0.000 1.077 478 F CA 1.489 59.449 58.000 -0.066 0.000 1.348 478 F CB -0.744 38.238 39.000 -0.029 0.000 1.040 478 F HN 0.621 nan 8.300 nan 0.000 0.509 479 E N 0.142 120.422 120.200 0.133 0.000 2.072 479 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 479 E C 2.076 178.624 176.600 -0.086 0.000 0.985 479 E CA 1.272 57.683 56.400 0.019 0.000 0.801 479 E CB -0.402 29.317 29.700 0.032 0.000 0.750 479 E HN 0.530 nan 8.360 nan 0.000 0.452 480 E N 0.434 120.560 120.200 -0.124 0.000 2.077 480 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 480 E C 1.976 178.250 176.600 -0.544 0.000 0.989 480 E CA 0.875 57.137 56.400 -0.229 0.000 0.800 480 E CB -0.087 29.530 29.700 -0.139 0.000 0.746 480 E HN 0.217 nan 8.360 nan 0.000 0.452 481 L N 0.997 121.779 121.223 -0.735 0.000 1.994 481 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 481 L C 2.545 179.127 176.870 -0.480 0.000 1.071 481 L CA 2.883 57.101 54.840 -1.038 0.000 0.745 481 L CB -1.121 40.604 42.059 -0.557 0.000 0.892 481 L HN 0.376 nan 8.230 nan 0.000 0.431 482 T N -3.752 110.648 114.554 -0.257 0.000 2.812 482 T HA 0.192 4.542 4.350 -0.000 0.000 0.264 482 T C 1.774 176.394 174.700 -0.133 0.000 1.042 482 T CA 1.047 63.058 62.100 -0.149 0.000 1.140 482 T CB -0.678 68.142 68.868 -0.079 0.000 0.870 482 T HN 0.803 nan 8.240 nan 0.000 0.445 483 G N 1.659 110.379 108.800 -0.133 0.000 2.253 483 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.251 483 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.251 483 G C 0.094 174.951 174.900 -0.071 0.000 0.998 483 G CA 0.635 45.675 45.100 -0.100 0.000 0.621 483 G HN 0.995 nan 8.290 nan 0.000 0.524 484 E N -1.331 118.829 120.200 -0.067 0.000 2.568 484 E HA 0.896 5.246 4.350 -0.000 0.000 0.242 484 E C 0.860 177.435 176.600 -0.042 0.000 0.945 484 E CA -0.800 55.568 56.400 -0.052 0.000 0.918 484 E CB 0.598 30.266 29.700 -0.054 0.000 1.386 484 E HN -0.075 nan 8.360 nan 0.000 0.426 485 K N -1.011 119.367 120.400 -0.036 0.000 2.567 485 K HA 0.137 4.457 4.320 -0.000 0.000 0.218 485 K C 1.318 177.900 176.600 -0.030 0.000 1.440 485 K CA 0.395 56.664 56.287 -0.029 0.000 0.995 485 K CB 0.581 33.065 32.500 -0.027 0.000 1.186 485 K HN 0.674 nan 8.250 nan 0.000 0.593 486 E N 1.042 121.223 120.200 -0.033 0.000 2.006 486 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 486 E C 1.852 178.433 176.600 -0.032 0.000 0.993 486 E CA 1.287 57.667 56.400 -0.033 0.000 0.808 486 E CB 0.099 29.779 29.700 -0.033 0.000 0.764 486 E HN 0.093 nan 8.360 nan 0.000 0.449 487 M N 0.518 120.101 119.600 -0.028 0.000 2.080 487 M HA -0.175 4.304 4.480 -0.000 0.000 0.260 487 M C 2.525 178.822 176.300 -0.005 0.000 1.068 487 M CA 1.512 56.801 55.300 -0.017 0.000 1.109 487 M CB -0.432 32.156 32.600 -0.020 0.000 1.342 487 M HN 0.240 nan 8.290 nan 0.000 0.405 488 A N 0.867 123.687 122.820 -0.000 0.000 1.859 488 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 488 A C 2.398 179.963 177.584 -0.032 0.000 1.209 488 A CA 2.707 54.766 52.037 0.036 0.000 0.639 488 A CB -1.312 17.703 19.000 0.025 0.000 0.835 488 A HN 0.547 nan 8.150 nan 0.000 0.450 489 A N -1.003 121.781 122.820 -0.060 0.000 1.972 489 A HA -0.111 4.208 4.320 -0.000 0.000 0.219 489 A C 1.944 179.447 177.584 -0.135 0.000 1.169 489 A CA 2.198 54.168 52.037 -0.112 0.000 0.635 489 A CB -0.460 18.497 19.000 -0.072 0.000 0.810 489 A HN 0.608 nan 8.150 nan 0.000 0.446 490 E N 0.266 120.416 120.200 -0.083 0.000 2.106 490 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 490 E C 1.743 178.303 176.600 -0.067 0.000 0.984 490 E CA 1.235 57.596 56.400 -0.064 0.000 0.806 490 E CB -0.393 29.288 29.700 -0.032 0.000 0.750 490 E HN 0.607 nan 8.360 nan 0.000 0.458 491 L N 0.185 121.376 121.223 -0.054 0.000 2.023 491 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 491 L C 2.475 179.166 176.870 -0.297 0.000 1.073 491 L CA 1.437 56.303 54.840 0.044 0.000 0.745 491 L CB -0.603 41.616 42.059 0.268 0.000 0.900 491 L HN 0.097 nan 8.230 nan 0.000 0.435 492 K N 1.069 120.908 120.400 -0.936 0.000 2.189 492 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 492 K C 1.888 178.150 176.600 -0.564 0.000 1.046 492 K CA 1.780 57.205 56.287 -1.437 0.000 0.928 492 K CB -0.460 31.495 32.500 -0.908 0.000 0.720 492 K HN 0.278 nan 8.250 nan 0.000 0.458 493 A N 0.035 122.667 122.820 -0.314 0.000 1.883 493 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 493 A C 1.984 179.489 177.584 -0.133 0.000 1.186 493 A CA 2.023 53.959 52.037 -0.169 0.000 0.624 493 A CB -0.519 18.412 19.000 -0.114 0.000 0.822 493 A HN 0.309 nan 8.150 nan 0.000 0.444 494 L N -3.344 117.808 121.223 -0.120 0.000 2.189 494 L HA 0.135 4.475 4.340 -0.000 0.000 0.199 494 L C 2.295 179.081 176.870 -0.141 0.000 1.074 494 L CA 1.013 55.764 54.840 -0.148 0.000 0.783 494 L CB -1.164 40.772 42.059 -0.206 0.000 0.955 494 L HN 0.317 nan 8.230 nan 0.000 0.460 495 Y N 0.187 120.532 120.300 0.074 0.000 2.373 495 Y HA -0.112 4.438 4.550 -0.000 0.000 0.293 495 Y C 2.150 178.230 175.900 0.299 0.000 1.129 495 Y CA 0.810 59.068 58.100 0.263 0.000 1.226 495 Y CB -0.151 38.642 38.460 0.555 0.000 1.000 495 Y HN 0.198 nan 8.280 nan 0.000 0.549 496 S N -1.395 114.470 115.700 0.274 0.000 1.694 496 S HA -0.308 4.162 4.470 -0.000 0.000 0.236 496 S C 0.179 175.050 174.600 0.452 0.000 0.821 496 S CA 1.702 60.030 58.200 0.213 0.000 1.530 496 S CB -1.338 61.937 63.200 0.126 0.000 1.703 496 S HN 0.550 nan 8.310 nan 0.000 0.517 497 D N 0.538 121.200 120.400 0.436 0.000 2.168 497 D HA 0.547 5.187 4.640 -0.000 0.000 0.246 497 D C 0.732 177.115 176.300 0.138 0.000 1.050 497 D CA -0.430 53.742 54.000 0.286 0.000 0.857 497 D CB 1.317 42.208 40.800 0.152 0.000 1.169 497 D HN 0.144 nan 8.370 nan 0.000 0.453 498 I N 2.187 122.663 120.570 -0.157 0.000 2.394 498 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 498 I C 0.707 176.676 176.117 -0.247 0.000 1.136 498 I CA 1.170 62.114 61.300 -0.593 0.000 1.425 498 I CB -0.085 37.659 38.000 -0.426 0.000 1.079 498 I HN 0.326 nan 8.210 nan 0.000 0.425 499 D N 0.359 120.707 120.400 -0.087 0.000 2.644 499 D HA 0.065 4.705 4.640 -0.000 0.000 0.252 499 D C 0.817 177.125 176.300 0.013 0.000 1.254 499 D CA 0.360 54.340 54.000 -0.034 0.000 0.884 499 D CB 0.189 40.983 40.800 -0.009 0.000 1.034 499 D HN 0.271 nan 8.370 nan 0.000 0.473 500 V N -0.215 119.715 119.914 0.027 0.000 3.777 500 V HA 0.035 4.154 4.120 -0.000 0.000 0.285 500 V C 0.055 176.256 176.094 0.179 0.000 1.668 500 V CA -0.399 61.979 62.300 0.130 0.000 1.178 500 V CB 0.422 32.363 31.823 0.197 0.000 0.962 500 V HN 0.097 nan 8.190 nan 0.000 0.411 501 M N 1.875 121.435 119.600 -0.066 0.000 2.217 501 M HA 0.425 4.905 4.480 -0.000 0.000 0.354 501 M C 0.407 176.587 176.300 -0.201 0.000 1.225 501 M CA 0.148 55.209 55.300 -0.399 0.000 1.137 501 M CB 0.174 32.456 32.600 -0.531 0.000 1.576 501 M HN 0.310 nan 8.290 nan 0.000 0.461 502 E N 2.621 122.687 120.200 -0.222 0.000 2.397 502 E HA 0.051 4.401 4.350 -0.000 0.000 0.254 502 E C 0.438 177.018 176.600 -0.034 0.000 1.231 502 E CA -0.322 56.070 56.400 -0.015 0.000 0.954 502 E CB 0.535 30.291 29.700 0.093 0.000 1.024 502 E HN 0.784 nan 8.360 nan 0.000 0.481 503 L N 0.573 121.803 121.223 0.012 0.000 2.130 503 L HA -0.083 4.257 4.340 -0.000 0.000 0.200 503 L C 2.147 179.009 176.870 -0.014 0.000 1.075 503 L CA 1.283 56.102 54.840 -0.036 0.000 0.768 503 L CB -0.490 41.494 42.059 -0.126 0.000 0.933 503 L HN 0.626 nan 8.230 nan 0.000 0.451 504 Y N 1.151 121.372 120.300 -0.131 0.000 2.070 504 Y HA -0.145 4.405 4.550 -0.000 0.000 0.280 504 Y C -0.609 175.257 175.900 -0.056 0.000 1.148 504 Y CA 1.878 59.912 58.100 -0.109 0.000 1.125 504 Y CB -1.903 36.463 38.460 -0.156 0.000 0.975 504 Y HN 0.184 nan 8.280 nan 0.000 0.492 505 P HA -0.246 nan 4.420 nan 0.000 0.210 505 P C 1.535 178.706 177.300 -0.215 0.000 1.185 505 P CA 2.911 65.861 63.100 -0.250 0.000 0.924 505 P CB -0.506 31.156 31.700 -0.063 0.000 0.786 506 A N -1.225 121.507 122.820 -0.147 0.000 2.148 506 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 506 A C 2.168 179.708 177.584 -0.073 0.000 1.161 506 A CA 1.505 53.482 52.037 -0.101 0.000 0.662 506 A CB -1.748 17.205 19.000 -0.078 0.000 0.799 506 A HN 0.153 nan 8.150 nan 0.000 0.466 507 L N -1.256 119.901 121.223 -0.110 0.000 2.179 507 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 507 L C 2.367 179.183 176.870 -0.090 0.000 1.096 507 L CA 0.741 55.535 54.840 -0.076 0.000 0.779 507 L CB -0.204 41.821 42.059 -0.057 0.000 0.922 507 L HN 0.414 nan 8.230 nan 0.000 0.443 508 L N -1.506 119.616 121.223 -0.169 0.000 2.168 508 L HA 0.005 4.344 4.340 -0.000 0.000 0.203 508 L C 1.290 178.089 176.870 -0.117 0.000 1.078 508 L CA 0.255 55.003 54.840 -0.152 0.000 0.780 508 L CB -0.132 41.789 42.059 -0.230 0.000 0.939 508 L HN -0.087 nan 8.230 nan 0.000 0.451 509 V N 1.488 121.332 119.914 -0.116 0.000 2.248 509 V HA 0.073 4.193 4.120 -0.000 0.000 0.309 509 V C 0.211 176.257 176.094 -0.079 0.000 1.722 509 V CA 0.389 62.637 62.300 -0.087 0.000 1.693 509 V CB -1.107 30.673 31.823 -0.071 0.000 1.470 509 V HN 0.289 nan 8.190 nan 0.000 0.518 510 E N 1.246 121.400 120.200 -0.075 0.000 2.416 510 E HA 0.347 4.697 4.350 -0.000 0.000 0.273 510 E C -0.510 176.047 176.600 -0.071 0.000 0.935 510 E CA -1.013 55.347 56.400 -0.066 0.000 0.784 510 E CB 1.861 31.555 29.700 -0.011 0.000 1.301 510 E HN 0.274 nan 8.360 nan 0.000 0.454 511 K N 3.500 123.853 120.400 -0.080 0.000 2.294 511 K HA 0.214 4.534 4.320 -0.000 0.000 0.288 511 K C -2.380 174.187 176.600 -0.055 0.000 1.072 511 K CA -1.347 54.894 56.287 -0.077 0.000 0.960 511 K CB 0.290 32.736 32.500 -0.091 0.000 1.043 511 K HN 0.136 nan 8.250 nan 0.000 0.455 512 P HA -0.008 nan 4.420 nan 0.000 0.264 512 P C -0.804 176.445 177.300 -0.084 0.000 1.193 512 P CA 0.219 63.268 63.100 -0.085 0.000 0.763 512 P CB 0.500 32.124 31.700 -0.126 0.000 0.810 513 R N 4.919 125.371 120.500 -0.081 0.000 2.543 513 R HA 0.173 4.513 4.340 -0.000 0.000 0.277 513 R C -1.611 174.606 176.300 -0.139 0.000 1.074 513 R CA -1.056 54.965 56.100 -0.132 0.000 1.076 513 R CB -0.693 29.479 30.300 -0.212 0.000 0.993 513 R HN 0.471 nan 8.270 nan 0.000 0.459 514 P HA -0.343 nan 4.420 nan 0.000 0.297 514 P C -0.597 176.634 177.300 -0.115 0.000 1.923 514 P CA 1.162 64.198 63.100 -0.108 0.000 1.732 514 P CB 0.124 31.760 31.700 -0.107 0.000 0.302 515 D N -0.036 120.293 120.400 -0.119 0.000 2.994 515 D HA 0.387 5.027 4.640 -0.000 0.000 0.240 515 D C 0.227 176.426 176.300 -0.169 0.000 1.195 515 D CA 0.356 54.275 54.000 -0.135 0.000 0.957 515 D CB -0.749 39.977 40.800 -0.124 0.000 1.105 515 D HN 0.278 nan 8.370 nan 0.000 0.477 516 A N 0.163 122.876 122.820 -0.179 0.000 2.346 516 A HA 0.507 4.827 4.320 -0.000 0.000 0.313 516 A C 0.964 178.351 177.584 -0.328 0.000 1.140 516 A CA -0.724 51.174 52.037 -0.232 0.000 0.826 516 A CB 1.138 20.054 19.000 -0.140 0.000 1.332 516 A HN 0.291 nan 8.150 nan 0.000 0.457 517 I N -1.241 119.007 120.570 -0.537 0.000 3.030 517 I HA 0.222 4.392 4.170 -0.000 0.000 0.270 517 I C -0.752 174.887 176.117 -0.797 0.000 1.211 517 I CA 0.542 61.371 61.300 -0.786 0.000 1.479 517 I CB -0.101 37.216 38.000 -1.137 0.000 1.105 517 I HN 0.464 nan 8.210 nan 0.000 0.447 518 F N -0.254 119.568 119.950 -0.213 0.000 2.631 518 F HA 0.692 5.219 4.527 -0.000 0.000 0.328 518 F C 0.668 176.410 175.800 -0.097 0.000 1.067 518 F CA -1.030 56.861 58.000 -0.183 0.000 0.969 518 F CB 0.466 39.359 39.000 -0.177 0.000 1.332 518 F HN -0.276 nan 8.300 nan 0.000 0.490 519 G N -0.587 108.306 108.800 0.155 0.000 2.471 519 G HA2 0.333 4.292 3.960 -0.000 0.000 0.332 519 G HA3 0.333 4.292 3.960 -0.000 0.000 0.332 519 G C 0.464 175.436 174.900 0.120 0.000 1.176 519 G CA -0.422 44.734 45.100 0.094 0.000 0.949 519 G HN 0.771 nan 8.290 nan 0.000 0.488 520 E N -0.054 120.215 120.200 0.115 0.000 2.086 520 E HA -0.254 4.096 4.350 -0.000 0.000 0.205 520 E C 2.201 178.841 176.600 0.067 0.000 1.027 520 E CA 2.255 58.725 56.400 0.117 0.000 0.830 520 E CB -0.341 29.427 29.700 0.113 0.000 0.751 520 E HN 0.460 nan 8.360 nan 0.000 0.456 521 T N 1.046 115.624 114.554 0.041 0.000 2.653 521 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 521 T C 1.796 176.456 174.700 -0.067 0.000 1.035 521 T CA 2.192 64.272 62.100 -0.034 0.000 1.154 521 T CB -0.342 68.507 68.868 -0.032 0.000 0.862 521 T HN 0.352 nan 8.240 nan 0.000 0.441 522 M N 0.507 120.084 119.600 -0.038 0.000 2.229 522 M HA -0.004 4.476 4.480 -0.000 0.000 0.264 522 M C 2.003 178.244 176.300 -0.098 0.000 1.063 522 M CA 1.301 56.544 55.300 -0.095 0.000 1.114 522 M CB -0.162 32.346 32.600 -0.153 0.000 1.387 522 M HN 0.034 nan 8.290 nan 0.000 0.420 523 V N 0.346 120.256 119.914 -0.007 0.000 2.719 523 V HA -0.114 4.005 4.120 -0.000 0.000 0.252 523 V C 2.242 178.359 176.094 0.039 0.000 1.065 523 V CA 1.389 63.718 62.300 0.049 0.000 1.086 523 V CB -0.610 31.311 31.823 0.164 0.000 0.700 523 V HN 0.451 nan 8.190 nan 0.000 0.467 524 E N -0.170 120.029 120.200 -0.001 0.000 2.170 524 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 524 E C 2.142 178.630 176.600 -0.188 0.000 0.981 524 E CA 0.675 57.065 56.400 -0.016 0.000 0.830 524 E CB 0.036 29.754 29.700 0.029 0.000 0.775 524 E HN 0.444 nan 8.360 nan 0.000 0.470 525 L N -0.384 120.581 121.223 -0.428 0.000 2.209 525 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 525 L C 2.241 178.772 176.870 -0.565 0.000 1.094 525 L CA 1.181 55.423 54.840 -0.997 0.000 0.790 525 L CB -0.621 40.911 42.059 -0.877 0.000 0.932 525 L HN 0.138 nan 8.230 nan 0.000 0.447 526 G N -0.252 108.505 108.800 -0.071 0.000 2.411 526 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.213 526 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.213 526 G C 1.799 176.911 174.900 0.354 0.000 1.166 526 G CA 0.668 45.983 45.100 0.358 0.000 0.802 526 G HN 0.377 nan 8.290 nan 0.000 0.533 527 A N 1.605 124.535 122.820 0.183 0.000 1.940 527 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 527 A C 0.667 178.328 177.584 0.129 0.000 1.176 527 A CA 1.984 54.125 52.037 0.174 0.000 0.631 527 A CB -1.091 17.984 19.000 0.124 0.000 0.814 527 A HN 0.379 nan 8.150 nan 0.000 0.446 528 P HA -0.083 nan 4.420 nan 0.000 0.214 528 P C 1.109 178.472 177.300 0.104 0.000 1.162 528 P CA 0.803 63.930 63.100 0.046 0.000 0.874 528 P CB -0.184 31.528 31.700 0.021 0.000 0.784 529 F N -0.207 119.739 119.950 -0.007 0.000 2.147 529 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 529 F C 2.614 178.115 175.800 -0.498 0.000 1.084 529 F CA 1.199 58.984 58.000 -0.358 0.000 1.268 529 F CB -1.705 36.885 39.000 -0.684 0.000 1.009 529 F HN -0.051 nan 8.300 nan 0.000 0.486 530 S N -0.450 115.293 115.700 0.072 0.000 2.395 530 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 530 S C 1.986 176.650 174.600 0.106 0.000 1.027 530 S CA 0.479 58.791 58.200 0.186 0.000 0.965 530 S CB -0.222 63.270 63.200 0.486 0.000 0.812 530 S HN 0.269 nan 8.310 nan 0.000 0.482 531 L N 0.622 121.905 121.223 0.100 0.000 2.492 531 L HA 0.114 4.454 4.340 -0.000 0.000 0.223 531 L C 2.447 179.368 176.870 0.086 0.000 1.132 531 L CA 0.467 55.355 54.840 0.079 0.000 0.850 531 L CB -0.181 41.920 42.059 0.071 0.000 0.966 531 L HN 0.095 nan 8.230 nan 0.000 0.454 532 K N 0.923 121.364 120.400 0.068 0.000 1.992 532 K HA 0.024 4.344 4.320 -0.000 0.000 0.210 532 K C 1.991 178.594 176.600 0.004 0.000 1.036 532 K CA 1.344 57.679 56.287 0.081 0.000 0.946 532 K CB -0.824 31.678 32.500 0.002 0.000 0.742 532 K HN 0.208 nan 8.250 nan 0.000 0.442 533 G N 1.491 110.214 108.800 -0.128 0.000 2.568 533 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 533 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 533 G C 1.363 176.171 174.900 -0.153 0.000 1.104 533 G CA 0.696 45.663 45.100 -0.223 0.000 0.738 533 G HN 0.163 nan 8.290 nan 0.000 0.574 534 L N -0.630 120.564 121.223 -0.047 0.000 2.262 534 L HA 0.348 4.688 4.340 -0.000 0.000 0.197 534 L C 2.719 179.612 176.870 0.039 0.000 1.073 534 L CA 0.883 55.715 54.840 -0.013 0.000 0.800 534 L CB -0.360 41.707 42.059 0.013 0.000 0.987 534 L HN 0.052 nan 8.230 nan 0.000 0.470 535 M N -0.725 118.922 119.600 0.079 0.000 2.193 535 M HA 0.138 4.618 4.480 -0.000 0.000 0.265 535 M C 1.303 177.741 176.300 0.229 0.000 1.071 535 M CA 0.851 56.201 55.300 0.083 0.000 1.140 535 M CB -1.558 30.956 32.600 -0.144 0.000 1.369 535 M HN 0.264 nan 8.290 nan 0.000 0.423 536 G N 2.531 111.528 108.800 0.329 0.000 3.102 536 G HA2 0.040 4.000 3.960 -0.000 0.000 0.264 536 G HA3 0.040 4.000 3.960 -0.000 0.000 0.264 536 G C -0.116 174.891 174.900 0.177 0.000 0.788 536 G CA -0.160 45.063 45.100 0.205 0.000 2.029 536 G HN 0.363 nan 8.290 nan 0.000 0.608 537 N N 1.258 120.133 118.700 0.292 0.000 2.258 537 N HA 0.317 5.057 4.740 -0.000 0.000 0.299 537 N C -1.701 173.921 175.510 0.187 0.000 1.047 537 N CA -1.924 51.223 53.050 0.161 0.000 0.814 537 N CB 3.344 41.890 38.487 0.099 0.000 1.413 537 N HN -0.089 nan 8.380 nan 0.000 0.478 538 P HA -0.187 nan 4.420 nan 0.000 0.216 538 P C 1.534 178.591 177.300 -0.405 0.000 1.157 538 P CA 1.537 64.468 63.100 -0.282 0.000 0.880 538 P CB -0.045 31.355 31.700 -0.498 0.000 0.791 539 I N -3.326 117.112 120.570 -0.220 0.000 2.850 539 I HA -0.101 4.069 4.170 -0.000 0.000 0.266 539 I C 1.920 178.325 176.117 0.480 0.000 1.257 539 I CA 1.346 62.742 61.300 0.160 0.000 1.465 539 I CB -1.078 37.182 38.000 0.434 0.000 1.091 539 I HN -0.141 nan 8.210 nan 0.000 0.467 540 C N 1.149 120.649 119.300 0.333 0.000 2.673 540 C HA 0.210 4.670 4.460 -0.000 0.000 0.264 540 C C 1.688 176.938 174.990 0.432 0.000 1.304 540 C CA 0.382 59.614 59.018 0.357 0.000 1.727 540 C CB -1.251 26.734 27.740 0.409 0.000 1.932 540 C HN 0.710 nan 8.230 nan 0.000 0.563 541 S N 2.163 117.919 115.700 0.094 0.000 2.548 541 S HA 0.177 4.647 4.470 -0.000 0.000 0.277 541 S C -1.119 173.515 174.600 0.056 0.000 1.315 541 S CA -0.701 57.259 58.200 -0.400 0.000 1.050 541 S CB 0.763 63.573 63.200 -0.651 0.000 0.918 541 S HN 0.237 nan 8.310 nan 0.000 0.497 542 P HA -0.277 nan 4.420 nan 0.000 0.222 542 P C 0.985 178.245 177.300 -0.066 0.000 1.154 542 P CA 1.739 64.633 63.100 -0.342 0.000 0.874 542 P CB -0.031 31.247 31.700 -0.703 0.000 0.787 543 Q N -1.490 118.288 119.800 -0.036 0.000 2.167 543 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 543 Q C 2.192 178.172 176.000 -0.033 0.000 0.970 543 Q CA 1.448 57.219 55.803 -0.053 0.000 0.855 543 Q CB -1.037 27.648 28.738 -0.088 0.000 0.911 543 Q HN 0.401 nan 8.270 nan 0.000 0.438 544 Y N -1.230 119.082 120.300 0.020 0.000 2.347 544 Y HA -0.011 4.538 4.550 -0.000 0.000 0.294 544 Y C 0.720 176.704 175.900 0.141 0.000 1.117 544 Y CA -0.135 57.991 58.100 0.043 0.000 1.184 544 Y CB 0.053 38.591 38.460 0.130 0.000 1.047 544 Y HN 0.227 nan 8.280 nan 0.000 0.546 545 W N 5.192 126.671 121.300 0.298 0.000 1.551 545 W HA 0.127 4.787 4.660 -0.000 0.000 0.534 545 W C -0.521 176.101 176.519 0.172 0.000 0.678 545 W CA 0.559 58.137 57.345 0.389 0.000 2.245 545 W CB -0.757 29.050 29.460 0.578 0.000 1.543 545 W HN 0.113 nan 8.180 nan 0.000 0.203 546 K N 2.573 122.733 120.400 -0.399 0.000 2.598 546 K HA 0.232 4.552 4.320 -0.000 0.000 0.271 546 K C -2.629 173.471 176.600 -0.833 0.000 0.947 546 K CA -1.464 54.410 56.287 -0.689 0.000 0.854 546 K CB 1.143 33.457 32.500 -0.310 0.000 1.401 546 K HN -0.264 nan 8.250 nan 0.000 0.415 547 P HA -0.368 nan 4.420 nan 0.000 0.227 547 P C 0.973 178.131 177.300 -0.237 0.000 1.141 547 P CA 2.383 65.177 63.100 -0.511 0.000 0.964 547 P CB 0.044 31.579 31.700 -0.276 0.000 0.784 548 S N -1.414 114.152 115.700 -0.223 0.000 2.374 548 S HA -0.188 4.281 4.470 -0.000 0.000 0.227 548 S C 1.877 176.369 174.600 -0.180 0.000 1.037 548 S CA 2.084 60.208 58.200 -0.127 0.000 1.024 548 S CB -1.579 61.546 63.200 -0.126 0.000 0.861 548 S HN 0.347 nan 8.310 nan 0.000 0.456 549 T N 1.459 115.759 114.554 -0.424 0.000 2.778 549 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 549 T C 0.947 175.324 174.700 -0.539 0.000 1.050 549 T CA 1.253 62.996 62.100 -0.597 0.000 1.137 549 T CB -0.412 67.851 68.868 -1.008 0.000 0.860 549 T HN 0.446 nan 8.240 nan 0.000 0.468 550 F N 0.346 120.355 119.950 0.099 0.000 2.664 550 F HA 0.507 5.034 4.527 -0.000 0.000 0.303 550 F C 1.829 177.779 175.800 0.249 0.000 1.092 550 F CA -0.512 57.599 58.000 0.185 0.000 1.305 550 F CB -0.285 38.837 39.000 0.205 0.000 1.054 550 F HN 0.263 nan 8.300 nan 0.000 0.565 551 G N -0.409 108.624 108.800 0.389 0.000 2.176 551 G HA2 0.154 4.114 3.960 -0.000 0.000 0.232 551 G HA3 0.154 4.114 3.960 -0.000 0.000 0.232 551 G C 0.547 175.633 174.900 0.310 0.000 0.986 551 G CA -0.187 45.224 45.100 0.518 0.000 0.643 551 G HN 1.083 nan 8.290 nan 0.000 0.522 552 G N -1.034 107.892 108.800 0.210 0.000 2.332 552 G HA2 0.451 4.411 3.960 -0.000 0.000 0.265 552 G HA3 0.451 4.411 3.960 -0.000 0.000 0.265 552 G C -0.062 174.909 174.900 0.118 0.000 1.329 552 G CA 0.611 45.782 45.100 0.117 0.000 0.949 552 G HN 0.720 nan 8.290 nan 0.000 0.476 553 E N -0.904 119.353 120.200 0.095 0.000 2.340 553 E HA 0.308 4.658 4.350 -0.000 0.000 0.194 553 E C 2.419 179.114 176.600 0.157 0.000 0.996 553 E CA 1.165 57.655 56.400 0.150 0.000 0.869 553 E CB 0.340 30.101 29.700 0.101 0.000 0.835 553 E HN 0.353 nan 8.360 nan 0.000 0.493 554 V N 0.007 119.972 119.914 0.084 0.000 2.222 554 V HA -0.174 3.946 4.120 -0.000 0.000 0.240 554 V C 2.255 178.409 176.094 0.099 0.000 1.040 554 V CA 2.082 64.413 62.300 0.051 0.000 0.988 554 V CB -1.117 30.695 31.823 -0.019 0.000 0.633 554 V HN 0.491 nan 8.190 nan 0.000 0.452 555 G N -1.234 107.638 108.800 0.120 0.000 2.532 555 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.222 555 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.222 555 G C 1.485 176.534 174.900 0.248 0.000 1.102 555 G CA 1.138 46.347 45.100 0.182 0.000 0.742 555 G HN 0.426 nan 8.290 nan 0.000 0.577 556 F N 1.167 121.164 119.950 0.079 0.000 2.128 556 F HA 0.180 4.707 4.527 -0.000 0.000 0.295 556 F C 2.385 178.152 175.800 -0.056 0.000 1.100 556 F CA 1.063 59.063 58.000 0.001 0.000 1.260 556 F CB -0.166 38.848 39.000 0.024 0.000 1.009 556 F HN -0.022 nan 8.300 nan 0.000 0.476 557 K N 0.615 121.014 120.400 -0.002 0.000 2.283 557 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 557 K C 2.129 178.694 176.600 -0.058 0.000 1.048 557 K CA 0.781 57.007 56.287 -0.103 0.000 0.948 557 K CB -0.579 31.900 32.500 -0.034 0.000 0.742 557 K HN 0.309 nan 8.250 nan 0.000 0.458 558 I N 0.186 120.753 120.570 -0.006 0.000 2.163 558 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 558 I C 1.912 178.035 176.117 0.012 0.000 1.085 558 I CA 1.409 62.719 61.300 0.016 0.000 1.347 558 I CB -0.282 37.746 38.000 0.046 0.000 1.044 558 I HN 0.111 nan 8.210 nan 0.000 0.408 559 I N 0.722 121.273 120.570 -0.031 0.000 2.202 559 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 559 I C 1.921 178.061 176.117 0.037 0.000 1.091 559 I CA 1.249 62.555 61.300 0.010 0.000 1.368 559 I CB -0.571 37.392 38.000 -0.062 0.000 1.058 559 I HN 0.278 nan 8.210 nan 0.000 0.410 560 N N 0.539 119.177 118.700 -0.104 0.000 2.585 560 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 560 N C 1.336 176.838 175.510 -0.013 0.000 1.102 560 N CA 1.654 54.652 53.050 -0.087 0.000 0.920 560 N CB -0.314 38.005 38.487 -0.281 0.000 0.963 560 N HN 0.515 nan 8.380 nan 0.000 0.447 561 T N -3.856 110.700 114.554 0.003 0.000 3.091 561 T HA 0.495 4.845 4.350 -0.000 0.000 0.277 561 T C 0.528 175.247 174.700 0.032 0.000 0.996 561 T CA -0.491 61.618 62.100 0.015 0.000 0.897 561 T CB 0.214 69.082 68.868 0.001 0.000 1.109 561 T HN 0.118 nan 8.240 nan 0.000 0.534 562 A N 2.032 124.886 122.820 0.057 0.000 2.531 562 A HA 0.579 4.899 4.320 -0.000 0.000 0.236 562 A C 0.633 178.249 177.584 0.053 0.000 1.062 562 A CA 0.079 52.157 52.037 0.069 0.000 0.760 562 A CB -0.153 18.919 19.000 0.120 0.000 0.995 562 A HN 1.201 nan 8.150 nan 0.000 0.501 563 S N 0.928 116.645 115.700 0.028 0.000 2.552 563 S HA 0.406 4.876 4.470 -0.000 0.000 0.272 563 S C 0.195 174.771 174.600 -0.040 0.000 1.150 563 S CA -0.152 58.047 58.200 -0.002 0.000 0.849 563 S CB 0.643 63.830 63.200 -0.021 0.000 1.113 563 S HN 1.163 nan 8.310 nan 0.000 0.458 564 I N 1.205 121.719 120.570 -0.094 0.000 2.614 564 I HA -0.031 4.139 4.170 -0.000 0.000 0.258 564 I C 2.285 178.282 176.117 -0.199 0.000 1.189 564 I CA 1.706 62.909 61.300 -0.162 0.000 1.462 564 I CB -0.369 37.361 38.000 -0.450 0.000 1.092 564 I HN 0.893 nan 8.210 nan 0.000 0.442 565 Q N -0.081 119.604 119.800 -0.192 0.000 2.083 565 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 565 Q C 2.315 178.252 176.000 -0.105 0.000 0.969 565 Q CA 2.180 57.882 55.803 -0.168 0.000 0.838 565 Q CB -0.452 28.215 28.738 -0.118 0.000 0.900 565 Q HN 0.442 nan 8.270 nan 0.000 0.436 566 S N -0.208 115.446 115.700 -0.077 0.000 2.406 566 S HA -0.037 4.433 4.470 -0.000 0.000 0.228 566 S C 1.627 176.176 174.600 -0.086 0.000 1.020 566 S CA 0.737 58.900 58.200 -0.061 0.000 0.965 566 S CB -0.316 62.862 63.200 -0.037 0.000 0.798 566 S HN 0.400 nan 8.310 nan 0.000 0.488 567 L N 1.116 122.271 121.223 -0.113 0.000 2.013 567 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 567 L C 1.833 178.605 176.870 -0.163 0.000 1.073 567 L CA 1.636 56.363 54.840 -0.189 0.000 0.753 567 L CB -0.387 41.510 42.059 -0.271 0.000 0.890 567 L HN 0.240 nan 8.230 nan 0.000 0.432 568 I N -1.919 118.581 120.570 -0.118 0.000 2.406 568 I HA -0.237 3.933 4.170 -0.000 0.000 0.249 568 I C 2.569 178.635 176.117 -0.086 0.000 1.122 568 I CA 0.935 62.176 61.300 -0.098 0.000 1.431 568 I CB -0.617 37.329 38.000 -0.090 0.000 1.087 568 I HN 0.384 nan 8.210 nan 0.000 0.424 569 c N 1.033 119.587 118.600 -0.077 0.000 2.388 569 c HA -0.218 4.352 4.570 -0.000 0.000 0.277 569 c C 2.756 176.814 174.090 -0.055 0.000 1.210 569 c CA 1.437 57.734 56.329 -0.054 0.000 1.743 569 c CB -1.209 41.276 42.510 -0.042 0.000 2.047 569 c HN 0.541 nan 8.230 nan 0.000 0.458 570 N N 0.958 119.621 118.700 -0.062 0.000 2.381 570 N HA -0.052 4.688 4.740 -0.000 0.000 0.182 570 N C 1.040 176.506 175.510 -0.074 0.000 1.025 570 N CA 1.059 54.073 53.050 -0.060 0.000 0.888 570 N CB -0.507 37.946 38.487 -0.057 0.000 0.965 570 N HN 0.683 nan 8.380 nan 0.000 0.438 571 N N -0.177 118.467 118.700 -0.093 0.000 2.210 571 N HA 0.081 4.821 4.740 -0.000 0.000 0.203 571 N C -0.326 175.116 175.510 -0.112 0.000 1.175 571 N CA 0.099 53.083 53.050 -0.109 0.000 0.894 571 N CB 1.686 40.095 38.487 -0.130 0.000 1.041 571 N HN -0.069 nan 8.380 nan 0.000 0.506 572 V N 1.744 121.602 119.914 -0.093 0.000 2.483 572 V HA 0.173 4.293 4.120 -0.000 0.000 0.295 572 V C 1.467 177.524 176.094 -0.061 0.000 1.035 572 V CA -0.699 61.551 62.300 -0.083 0.000 0.896 572 V CB 2.235 34.015 31.823 -0.073 0.000 0.986 572 V HN -0.104 nan 8.190 nan 0.000 0.447 573 K N 3.859 124.225 120.400 -0.058 0.000 2.229 573 K HA -0.228 4.092 4.320 -0.000 0.000 0.211 573 K C 1.059 177.645 176.600 -0.023 0.000 1.044 573 K CA 2.256 58.520 56.287 -0.038 0.000 0.935 573 K CB -0.485 32.000 32.500 -0.025 0.000 0.732 573 K HN 1.033 nan 8.250 nan 0.000 0.478 574 G N -2.475 106.316 108.800 -0.015 0.000 4.831 574 G HA2 0.186 4.146 3.960 -0.000 0.000 0.231 574 G HA3 0.186 4.146 3.960 -0.000 0.000 0.231 574 G C -0.449 174.451 174.900 0.001 0.000 1.006 574 G CA -0.173 44.924 45.100 -0.005 0.000 0.792 574 G HN 0.269 nan 8.290 nan 0.000 0.546 575 c N 0.308 118.902 118.600 -0.010 0.000 3.603 575 c HA -0.115 4.455 4.570 -0.000 0.000 0.279 575 c C -1.200 172.900 174.090 0.016 0.000 1.436 575 c CA -0.675 55.651 56.329 -0.005 0.000 2.054 575 c CB -1.763 40.748 42.510 0.003 0.000 1.341 575 c HN 0.531 nan 8.230 nan 0.000 0.608 576 P HA 0.120 nan 4.420 nan 0.000 0.264 576 P C 0.116 177.435 177.300 0.032 0.000 1.183 576 P CA 0.164 63.284 63.100 0.032 0.000 0.763 576 P CB 0.313 32.014 31.700 0.002 0.000 0.807 577 F N 4.153 124.093 119.950 -0.016 0.000 2.506 577 F HA 0.339 4.866 4.527 -0.000 0.000 0.351 577 F C 0.066 175.850 175.800 -0.027 0.000 1.136 577 F CA 0.758 58.743 58.000 -0.025 0.000 1.298 577 F CB 0.353 39.340 39.000 -0.020 0.000 1.145 577 F HN 0.328 nan 8.300 nan 0.000 0.593 578 T N 2.458 116.132 114.554 -1.466 0.000 2.754 578 T HA 0.692 5.042 4.350 -0.000 0.000 0.296 578 T C -0.943 173.030 174.700 -1.211 0.000 1.205 578 T CA -0.805 60.627 62.100 -1.113 0.000 1.009 578 T CB 1.383 69.942 68.868 -0.516 0.000 1.368 578 T HN 0.836 nan 8.240 nan 0.000 0.509 579 S N -1.397 113.875 115.700 -0.713 0.000 2.718 579 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 579 S C -1.654 172.690 174.600 -0.427 0.000 0.999 579 S CA -0.664 57.189 58.200 -0.578 0.000 0.899 579 S CB -0.015 63.029 63.200 -0.260 0.000 1.148 579 S HN 0.529 nan 8.310 nan 0.000 0.463 580 F N 2.129 122.002 119.950 -0.128 0.000 2.664 580 F HA 0.466 4.993 4.527 -0.000 0.000 0.301 580 F C 0.778 176.377 175.800 -0.335 0.000 1.126 580 F CA -0.356 57.522 58.000 -0.203 0.000 1.373 580 F CB -0.339 38.502 39.000 -0.265 0.000 1.042 580 F HN 0.442 nan 8.300 nan 0.000 0.535 581 N N -0.428 118.280 118.700 0.014 0.000 2.352 581 N HA 0.245 4.985 4.740 -0.000 0.000 0.291 581 N C -1.130 174.441 175.510 0.103 0.000 1.040 581 N CA -0.378 52.732 53.050 0.099 0.000 0.864 581 N CB 1.917 40.522 38.487 0.197 0.000 1.440 581 N HN -0.137 nan 8.380 nan 0.000 0.483 582 V N 5.856 125.818 119.914 0.079 0.000 2.324 582 V HA 0.051 4.171 4.120 -0.000 0.000 0.244 582 V C 0.364 176.507 176.094 0.082 0.000 1.144 582 V CA -0.205 62.143 62.300 0.080 0.000 1.158 582 V CB -1.120 30.732 31.823 0.048 0.000 1.254 582 V HN 0.838 nan 8.190 nan 0.000 0.492 583 Q N 0.000 119.875 119.800 0.125 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 583 Q CA 0.000 55.866 55.803 0.105 0.000 1.022 583 Q CB 0.000 28.795 28.738 0.095 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481