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 1rt1_1_B DATA FIRST_RESID 6 DATA SEQUENCE ETVPVKLKPG MDGPKVKQWP LTEEKIKALV EICTEMEKEG KISKIGPENP DATA SEQUENCE YNTPVFAIKK KDSTKWRKLV DFRELNKRTQ DFWXXXXGIP HPAGLKKKKS DATA SEQUENCE VTVLDVGDAY FSVPLDEDFR KYTAFTIPSI NNETPGIRYQ YNVLPQGWKG DATA SEQUENCE SPAIFQSSMT KILEPFRKQN PDIVIYQYMD DLYVGSDLEI GQHRTKIEEL DATA SEQUENCE RQHLLRWGLT XXXXXXXXXX XXXXXXYELH PDKWTVQPIV LPEKDSWTVN DATA SEQUENCE DIQKLVGKLN WASQIYPGIK VRQLCKLLRG TKALTEVIPL TEEAELELAE DATA SEQUENCE NREILKEPVH GVYYDPSKDL IAEIQKQGQG QWTYQIYQEP FKNLKTGKYA DATA SEQUENCE RMRGAHTNDV KQLTEAVQKI TTESIVIWGK TPKFKLPIQK ETWETWWTEY DATA SEQUENCE WQATWIPEWE FVNTPPLVKL WYQLEKEPIV GAETF 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.614 176.600 0.023 0.000 1.382 6 E CA 0.000 56.412 56.400 0.020 0.000 0.976 6 E CB 0.000 29.709 29.700 0.015 0.000 0.812 7 T N -1.762 112.807 114.554 0.026 0.000 2.809 7 T HA 0.539 4.890 4.350 0.002 0.000 0.284 7 T C -0.194 174.522 174.700 0.027 0.000 0.992 7 T CA -0.737 61.382 62.100 0.031 0.000 0.957 7 T CB 1.192 70.086 68.868 0.043 0.000 0.942 7 T HN 0.220 nan 8.240 nan 0.000 0.439 8 V N 5.723 125.648 119.914 0.018 0.000 2.488 8 V HA 0.426 4.547 4.120 0.002 0.000 0.277 8 V C -2.045 174.069 176.094 0.034 0.000 1.046 8 V CA -2.354 59.955 62.300 0.015 0.000 0.986 8 V CB 0.673 32.488 31.823 -0.014 0.000 0.989 8 V HN 0.833 nan 8.190 nan 0.000 0.475 9 P HA 0.059 nan 4.420 nan 0.000 0.262 9 P C -0.183 177.154 177.300 0.062 0.000 1.455 9 P CA 0.272 63.408 63.100 0.060 0.000 1.217 9 P CB 0.052 31.784 31.700 0.053 0.000 1.625 10 V N 3.928 123.868 119.914 0.043 0.000 3.083 10 V HA 0.346 4.467 4.120 0.002 0.000 0.306 10 V C 0.859 176.966 176.094 0.022 0.000 1.077 10 V CA -0.032 62.253 62.300 -0.026 0.000 1.073 10 V CB 0.842 32.502 31.823 -0.270 0.000 1.081 10 V HN 0.438 nan 8.190 nan 0.000 0.474 11 K N 1.289 121.689 120.400 -0.000 0.000 2.571 11 K HA 0.586 4.907 4.320 0.002 0.000 0.289 11 K C -1.584 175.099 176.600 0.138 0.000 1.028 11 K CA -0.945 55.441 56.287 0.166 0.000 0.895 11 K CB 2.267 34.816 32.500 0.082 0.000 1.534 11 K HN 0.357 nan 8.250 nan 0.000 0.421 12 L N 1.593 122.892 121.223 0.126 0.000 2.399 12 L HA 0.394 4.735 4.340 0.002 0.000 0.265 12 L C 0.230 177.072 176.870 -0.047 0.000 1.089 12 L CA -0.728 54.116 54.840 0.007 0.000 0.802 12 L CB 0.789 42.760 42.059 -0.146 0.000 1.180 12 L HN 0.389 nan 8.230 nan 0.000 0.454 13 K N 1.710 122.066 120.400 -0.072 0.000 2.414 13 K HA 0.103 4.425 4.320 0.002 0.000 0.272 13 K C -2.276 174.293 176.600 -0.051 0.000 0.993 13 K CA -1.231 55.008 56.287 -0.079 0.000 0.964 13 K CB 0.052 32.507 32.500 -0.075 0.000 0.925 13 K HN 0.256 nan 8.250 nan 0.000 0.487 14 P HA -0.116 nan 4.420 nan 0.000 0.258 14 P C 0.473 177.763 177.300 -0.018 0.000 1.172 14 P CA 1.197 64.282 63.100 -0.024 0.000 0.762 14 P CB 0.370 32.057 31.700 -0.022 0.000 0.764 15 G N 2.166 110.960 108.800 -0.009 0.000 2.225 15 G HA2 -0.239 3.723 3.960 0.002 0.000 0.254 15 G HA3 -0.239 3.723 3.960 0.002 0.000 0.254 15 G C 0.243 175.138 174.900 -0.007 0.000 0.988 15 G CA -0.302 44.797 45.100 -0.003 0.000 0.625 15 G HN 0.396 nan 8.290 nan 0.000 0.527 16 M N 0.702 120.287 119.600 -0.026 0.000 2.247 16 M HA 0.611 5.092 4.480 0.002 0.000 0.326 16 M C -0.037 176.225 176.300 -0.064 0.000 1.134 16 M CA -0.444 54.831 55.300 -0.042 0.000 1.136 16 M CB 0.965 33.528 32.600 -0.062 0.000 1.454 16 M HN 0.234 nan 8.290 nan 0.000 0.467 17 D N -0.138 120.227 120.400 -0.057 0.000 2.527 17 D HA 0.594 5.235 4.640 0.002 0.000 0.233 17 D C -0.112 176.101 176.300 -0.145 0.000 1.063 17 D CA -0.158 53.816 54.000 -0.044 0.000 0.880 17 D CB 1.624 42.483 40.800 0.100 0.000 1.457 17 D HN 0.698 nan 8.370 nan 0.000 0.475 18 G N 1.507 110.100 108.800 -0.345 0.000 2.690 18 G HA2 0.263 4.224 3.960 0.002 0.000 0.239 18 G HA3 0.263 4.224 3.960 0.002 0.000 0.239 18 G C -2.122 172.764 174.900 -0.023 0.000 1.233 18 G CA -0.751 44.036 45.100 -0.522 0.000 0.847 18 G HN 0.455 nan 8.290 nan 0.000 0.588 19 P HA 0.195 nan 4.420 nan 0.000 0.271 19 P C -0.739 176.697 177.300 0.227 0.000 1.218 19 P CA 0.048 63.223 63.100 0.125 0.000 0.780 19 P CB 0.959 32.733 31.700 0.122 0.000 0.901 20 K N 1.523 122.028 120.400 0.175 0.000 3.309 20 K HA 0.277 4.598 4.320 0.002 0.000 0.187 20 K C -0.602 176.061 176.600 0.105 0.000 1.085 20 K CA -0.481 55.896 56.287 0.150 0.000 0.867 20 K CB 0.939 33.512 32.500 0.123 0.000 0.846 20 K HN 0.202 nan 8.250 nan 0.000 0.522 21 V N 2.468 122.445 119.914 0.105 0.000 2.498 21 V HA 0.120 4.241 4.120 0.002 0.000 0.279 21 V C 0.546 176.677 176.094 0.061 0.000 1.048 21 V CA -0.659 61.698 62.300 0.095 0.000 0.967 21 V CB 0.738 32.626 31.823 0.109 0.000 0.988 21 V HN 0.426 nan 8.190 nan 0.000 0.473 22 K N 3.348 123.789 120.400 0.068 0.000 2.154 22 K HA 0.405 4.727 4.320 0.002 0.000 0.264 22 K C -0.220 176.376 176.600 -0.008 0.000 1.008 22 K CA -0.707 55.602 56.287 0.037 0.000 0.937 22 K CB 1.049 33.582 32.500 0.055 0.000 1.002 22 K HN 0.515 nan 8.250 nan 0.000 0.469 23 Q N 2.839 122.601 119.800 -0.063 0.000 2.293 23 Q HA 0.095 4.437 4.340 0.002 0.000 0.263 23 Q C -1.372 174.586 176.000 -0.070 0.000 1.002 23 Q CA -0.153 55.539 55.803 -0.185 0.000 0.910 23 Q CB 0.213 28.864 28.738 -0.146 0.000 1.185 23 Q HN 0.553 nan 8.270 nan 0.000 0.401 24 W N 4.793 126.097 121.300 0.007 0.000 2.150 24 W HA 0.541 5.202 4.660 0.003 0.000 0.341 24 W C -2.245 174.243 176.519 -0.053 0.000 1.276 24 W CA -2.546 54.781 57.345 -0.031 0.000 1.238 24 W CB -0.650 28.777 29.460 -0.055 0.000 1.128 24 W HN 0.516 nan 8.180 nan 0.000 0.581 25 P HA 0.102 nan 4.420 nan 0.000 0.269 25 P C -0.719 176.645 177.300 0.106 0.000 1.209 25 P CA 0.206 63.357 63.100 0.086 0.000 0.776 25 P CB 1.206 32.925 31.700 0.032 0.000 0.876 26 L N 1.341 122.587 121.223 0.038 0.000 2.323 26 L HA 0.413 4.754 4.340 0.002 0.000 0.265 26 L C 0.992 177.845 176.870 -0.027 0.000 1.012 26 L CA -0.834 54.015 54.840 0.015 0.000 0.820 26 L CB 1.971 44.023 42.059 -0.011 0.000 1.334 26 L HN 0.282 nan 8.230 nan 0.000 0.427 27 T N -0.338 114.187 114.554 -0.048 0.000 2.813 27 T HA -0.019 4.333 4.350 0.002 0.000 0.297 27 T C 1.062 175.711 174.700 -0.086 0.000 1.036 27 T CA -0.183 61.885 62.100 -0.054 0.000 1.044 27 T CB 1.208 70.048 68.868 -0.046 0.000 0.993 27 T HN 0.705 nan 8.240 nan 0.000 0.535 28 E N 0.833 120.993 120.200 -0.066 0.000 2.106 28 E HA -0.185 4.167 4.350 0.002 0.000 0.192 28 E C 2.070 178.595 176.600 -0.125 0.000 0.984 28 E CA 1.369 57.723 56.400 -0.076 0.000 0.806 28 E CB 0.056 29.731 29.700 -0.042 0.000 0.750 28 E HN 0.814 nan 8.360 nan 0.000 0.458 29 E N 0.872 120.992 120.200 -0.133 0.000 2.085 29 E HA -0.260 4.091 4.350 0.002 0.000 0.194 29 E C 1.900 178.186 176.600 -0.524 0.000 0.994 29 E CA 1.230 57.510 56.400 -0.200 0.000 0.801 29 E CB -0.226 29.442 29.700 -0.053 0.000 0.743 29 E HN 0.170 nan 8.360 nan 0.000 0.453 30 K N 0.467 120.533 120.400 -0.557 0.000 2.062 30 K HA 0.008 4.329 4.320 0.002 0.000 0.205 30 K C 2.341 178.699 176.600 -0.404 0.000 1.051 30 K CA 1.289 57.171 56.287 -0.675 0.000 0.941 30 K CB -0.103 32.142 32.500 -0.425 0.000 0.719 30 K HN 0.198 nan 8.250 nan 0.000 0.440 31 I N 1.374 121.797 120.570 -0.245 0.000 2.252 31 I HA -0.267 3.904 4.170 0.002 0.000 0.245 31 I C 2.229 178.255 176.117 -0.151 0.000 1.102 31 I CA 1.277 62.485 61.300 -0.153 0.000 1.385 31 I CB -0.179 37.763 38.000 -0.097 0.000 1.064 31 I HN 0.120 nan 8.210 nan 0.000 0.414 32 K N 0.824 121.120 120.400 -0.174 0.000 2.097 32 K HA -0.159 4.162 4.320 0.002 0.000 0.206 32 K C 2.226 178.733 176.600 -0.154 0.000 1.049 32 K CA 1.554 57.759 56.287 -0.136 0.000 0.933 32 K CB -0.172 32.258 32.500 -0.116 0.000 0.717 32 K HN 0.326 nan 8.250 nan 0.000 0.442 33 A N 0.940 123.595 122.820 -0.274 0.000 1.897 33 A HA -0.073 4.249 4.320 0.002 0.000 0.215 33 A C 2.046 179.536 177.584 -0.157 0.000 1.181 33 A CA 0.956 52.847 52.037 -0.245 0.000 0.620 33 A CB -0.496 18.195 19.000 -0.515 0.000 0.821 33 A HN 0.152 nan 8.150 nan 0.000 0.443 34 L N -0.459 120.657 121.223 -0.179 0.000 2.046 34 L HA -0.172 4.170 4.340 0.002 0.000 0.208 34 L C 2.554 179.385 176.870 -0.065 0.000 1.077 34 L CA 1.047 55.819 54.840 -0.113 0.000 0.747 34 L CB -0.556 41.444 42.059 -0.098 0.000 0.896 34 L HN 0.251 nan 8.230 nan 0.000 0.432 35 V N -0.157 119.727 119.914 -0.051 0.000 2.255 35 V HA -0.310 3.812 4.120 0.002 0.000 0.247 35 V C 2.409 178.491 176.094 -0.020 0.000 1.051 35 V CA 1.868 64.163 62.300 -0.009 0.000 1.018 35 V CB -0.411 31.405 31.823 -0.011 0.000 0.641 35 V HN 0.448 nan 8.190 nan 0.000 0.445 36 E N -0.216 119.962 120.200 -0.037 0.000 2.021 36 E HA -0.265 4.086 4.350 0.002 0.000 0.200 36 E C 2.182 178.757 176.600 -0.041 0.000 1.015 36 E CA 2.066 58.449 56.400 -0.029 0.000 0.824 36 E CB -0.299 29.386 29.700 -0.024 0.000 0.762 36 E HN 0.535 nan 8.360 nan 0.000 0.454 37 I N 0.667 121.204 120.570 -0.054 0.000 2.185 37 I HA -0.370 3.802 4.170 0.002 0.000 0.246 37 I C 2.495 178.545 176.117 -0.111 0.000 1.088 37 I CA 0.951 62.208 61.300 -0.072 0.000 1.347 37 I CB -0.296 37.660 38.000 -0.074 0.000 1.041 37 I HN 0.308 nan 8.210 nan 0.000 0.415 38 C N 0.183 119.397 119.300 -0.143 0.000 2.467 38 C HA -0.081 4.380 4.460 0.002 0.000 0.279 38 C C 3.071 177.936 174.990 -0.209 0.000 1.347 38 C CA 1.262 60.106 59.018 -0.289 0.000 1.748 38 C CB -1.168 26.282 27.740 -0.484 0.000 1.977 38 C HN 0.625 nan 8.230 nan 0.000 0.501 39 T N -0.796 113.723 114.554 -0.057 0.000 2.777 39 T HA -0.173 4.178 4.350 0.002 0.000 0.266 39 T C 1.666 176.354 174.700 -0.020 0.000 1.040 39 T CA 1.390 63.496 62.100 0.010 0.000 1.141 39 T CB -0.300 68.581 68.868 0.022 0.000 0.868 39 T HN 0.449 nan 8.240 nan 0.000 0.444 40 E N 1.261 121.435 120.200 -0.042 0.000 2.023 40 E HA -0.081 4.270 4.350 0.002 0.000 0.196 40 E C 2.284 178.854 176.600 -0.051 0.000 1.003 40 E CA 1.398 57.772 56.400 -0.042 0.000 0.809 40 E CB -0.444 29.225 29.700 -0.051 0.000 0.755 40 E HN 0.580 nan 8.360 nan 0.000 0.449 41 M N 0.276 119.823 119.600 -0.087 0.000 2.195 41 M HA -0.214 4.267 4.480 0.002 0.000 0.260 41 M C 2.267 178.530 176.300 -0.061 0.000 1.066 41 M CA 1.467 56.715 55.300 -0.087 0.000 1.089 41 M CB -0.285 32.223 32.600 -0.153 0.000 1.377 41 M HN 0.111 nan 8.290 nan 0.000 0.411 42 E N 0.325 120.486 120.200 -0.065 0.000 2.106 42 E HA -0.182 4.170 4.350 0.002 0.000 0.192 42 E C 1.848 178.464 176.600 0.027 0.000 0.984 42 E CA 0.900 57.307 56.400 0.011 0.000 0.806 42 E CB 0.287 30.047 29.700 0.099 0.000 0.750 42 E HN 0.268 nan 8.360 nan 0.000 0.458 43 K N 0.770 121.179 120.400 0.015 0.000 2.062 43 K HA -0.107 4.215 4.320 0.002 0.000 0.205 43 K C 1.820 178.436 176.600 0.026 0.000 1.051 43 K CA 1.196 57.495 56.287 0.019 0.000 0.941 43 K CB -0.229 32.278 32.500 0.010 0.000 0.719 43 K HN 0.276 nan 8.250 nan 0.000 0.440 44 E N -0.173 120.042 120.200 0.025 0.000 2.516 44 E HA -0.014 4.338 4.350 0.002 0.000 0.199 44 E C 0.793 177.440 176.600 0.079 0.000 1.069 44 E CA 0.475 56.906 56.400 0.051 0.000 0.876 44 E CB -0.063 29.663 29.700 0.043 0.000 0.843 44 E HN 0.489 nan 8.360 nan 0.000 0.530 45 G N 1.479 110.316 108.800 0.061 0.000 2.179 45 G HA2 -0.367 3.594 3.960 0.002 0.000 0.260 45 G HA3 -0.367 3.594 3.960 0.002 0.000 0.260 45 G C 0.863 175.814 174.900 0.085 0.000 0.977 45 G CA 0.692 45.833 45.100 0.069 0.000 0.641 45 G HN 0.296 nan 8.290 nan 0.000 0.533 46 K N -0.135 120.319 120.400 0.090 0.000 2.167 46 K HA 0.321 4.642 4.320 0.002 0.000 0.203 46 K C 1.408 178.029 176.600 0.037 0.000 1.052 46 K CA 1.377 57.737 56.287 0.121 0.000 0.956 46 K CB 0.168 32.763 32.500 0.158 0.000 0.735 46 K HN 0.812 nan 8.250 nan 0.000 0.451 47 I N -3.192 117.349 120.570 -0.048 0.000 2.865 47 I HA 0.442 4.613 4.170 0.002 0.000 0.302 47 I C -1.214 174.923 176.117 0.034 0.000 1.140 47 I CA -0.972 60.271 61.300 -0.095 0.000 1.021 47 I CB 2.641 40.463 38.000 -0.297 0.000 1.233 47 I HN -0.302 nan 8.210 nan 0.000 0.427 48 S N 2.653 118.397 115.700 0.074 0.000 2.536 48 S HA 0.450 4.921 4.470 0.002 0.000 0.287 48 S C -0.662 173.958 174.600 0.033 0.000 1.101 48 S CA -0.892 57.354 58.200 0.077 0.000 0.950 48 S CB 1.980 65.194 63.200 0.024 0.000 1.056 48 S HN 0.546 nan 8.310 nan 0.000 0.481 49 K N 2.065 122.422 120.400 -0.070 0.000 2.414 49 K HA 0.311 4.633 4.320 0.002 0.000 0.272 49 K C 0.043 176.525 176.600 -0.198 0.000 0.993 49 K CA 0.204 56.307 56.287 -0.307 0.000 0.964 49 K CB 0.168 32.469 32.500 -0.331 0.000 0.925 49 K HN 0.622 nan 8.250 nan 0.000 0.487 50 I N -2.175 118.257 120.570 -0.230 0.000 3.145 50 I HA 0.599 4.770 4.170 0.002 0.000 0.313 50 I C 0.229 176.257 176.117 -0.147 0.000 1.122 50 I CA -1.159 60.049 61.300 -0.153 0.000 0.987 50 I CB 1.921 39.844 38.000 -0.128 0.000 1.236 50 I HN 0.559 nan 8.210 nan 0.000 0.453 51 G N 1.152 109.886 108.800 -0.111 0.000 2.525 51 G HA2 0.517 4.479 3.960 0.002 0.000 0.287 51 G HA3 0.517 4.479 3.960 0.002 0.000 0.287 51 G C -1.858 172.982 174.900 -0.099 0.000 1.350 51 G CA -1.111 43.929 45.100 -0.101 0.000 1.039 51 G HN 0.644 nan 8.290 nan 0.000 0.513 52 P HA 0.038 nan 4.420 nan 0.000 0.249 52 P C 1.043 178.288 177.300 -0.091 0.000 1.229 52 P CA 0.534 63.582 63.100 -0.087 0.000 0.788 52 P CB 0.450 32.105 31.700 -0.076 0.000 1.072 53 E N -0.184 119.964 120.200 -0.087 0.000 2.358 53 E HA -0.073 4.279 4.350 0.002 0.000 0.195 53 E C 0.462 176.992 176.600 -0.117 0.000 1.010 53 E CA 0.316 56.663 56.400 -0.089 0.000 0.856 53 E CB -0.711 28.948 29.700 -0.070 0.000 0.795 53 E HN 0.106 nan 8.360 nan 0.000 0.504 54 N N 2.687 121.318 118.700 -0.116 0.000 2.437 54 N HA 0.075 4.816 4.740 0.002 0.000 0.243 54 N C -1.799 173.591 175.510 -0.201 0.000 1.041 54 N CA -1.808 51.163 53.050 -0.131 0.000 0.940 54 N CB 1.419 39.872 38.487 -0.055 0.000 1.133 54 N HN -0.067 nan 8.380 nan 0.000 0.506 55 P HA 0.071 nan 4.420 nan 0.000 0.255 55 P C -0.506 176.572 177.300 -0.370 0.000 1.248 55 P CA 0.120 62.989 63.100 -0.385 0.000 0.807 55 P CB 0.030 31.475 31.700 -0.424 0.000 1.150 56 Y N 0.624 120.932 120.300 0.014 0.000 2.334 56 Y HA 0.498 5.050 4.550 0.002 0.000 0.325 56 Y C 1.178 177.097 175.900 0.033 0.000 1.308 56 Y CA -0.510 57.614 58.100 0.041 0.000 1.389 56 Y CB 0.536 39.042 38.460 0.077 0.000 1.328 56 Y HN -0.096 nan 8.280 nan 0.000 0.532 57 N N -1.040 117.803 118.700 0.238 0.000 3.049 57 N HA 0.261 5.002 4.740 0.002 0.000 0.244 57 N C -2.094 173.494 175.510 0.129 0.000 1.203 57 N CA -0.337 52.801 53.050 0.146 0.000 0.945 57 N CB 1.851 40.383 38.487 0.075 0.000 1.616 57 N HN 0.638 nan 8.380 nan 0.000 0.505 58 T N 2.659 117.272 114.554 0.098 0.000 3.011 58 T HA 0.428 4.779 4.350 0.002 0.000 0.303 58 T C -2.846 171.796 174.700 -0.097 0.000 0.997 58 T CA -0.728 61.381 62.100 0.014 0.000 1.007 58 T CB 2.120 70.984 68.868 -0.007 0.000 1.017 58 T HN 0.293 nan 8.240 nan 0.000 0.443 59 P HA 0.243 nan 4.420 nan 0.000 0.266 59 P C -0.654 176.399 177.300 -0.411 0.000 1.195 59 P CA -0.368 62.425 63.100 -0.512 0.000 0.768 59 P CB 0.434 31.534 31.700 -1.000 0.000 0.838 60 V N 0.735 120.418 119.914 -0.384 0.000 3.001 60 V HA 0.915 5.037 4.120 0.002 0.000 0.314 60 V C -0.708 175.405 176.094 0.032 0.000 1.099 60 V CA -0.905 61.276 62.300 -0.199 0.000 0.989 60 V CB 1.757 33.421 31.823 -0.265 0.000 1.040 60 V HN 0.570 nan 8.190 nan 0.000 0.434 61 F N -0.364 119.487 119.950 -0.165 0.000 2.817 61 F HA 1.002 5.530 4.527 0.003 0.000 0.317 61 F C -0.572 175.201 175.800 -0.044 0.000 1.168 61 F CA -1.107 56.854 58.000 -0.065 0.000 0.911 61 F CB 0.892 39.951 39.000 0.099 0.000 1.337 61 F HN 0.944 nan 8.300 nan 0.000 0.464 62 A N 1.536 124.390 122.820 0.057 0.000 2.342 62 A HA 0.877 5.198 4.320 0.002 0.000 0.323 62 A C -0.758 177.018 177.584 0.319 0.000 1.125 62 A CA -0.649 51.415 52.037 0.046 0.000 0.785 62 A CB 0.938 19.878 19.000 -0.101 0.000 1.221 62 A HN 1.243 nan 8.150 nan 0.000 0.463 63 I N -1.445 119.287 120.570 0.270 0.000 3.170 63 I HA 0.699 4.871 4.170 0.002 0.000 0.312 63 I C -0.776 175.410 176.117 0.115 0.000 1.085 63 I CA -1.188 60.251 61.300 0.233 0.000 0.999 63 I CB 2.011 40.087 38.000 0.127 0.000 1.233 63 I HN 0.253 nan 8.210 nan 0.000 0.467 64 K N 2.594 122.937 120.400 -0.095 0.000 2.213 64 K HA 0.373 4.694 4.320 0.002 0.000 0.270 64 K C -0.980 175.514 176.600 -0.177 0.000 1.002 64 K CA -0.553 55.568 56.287 -0.276 0.000 0.868 64 K CB 1.765 34.004 32.500 -0.436 0.000 1.093 64 K HN 0.542 nan 8.250 nan 0.000 0.454 65 K N 3.704 124.005 120.400 -0.164 0.000 2.338 65 K HA 0.021 4.343 4.320 0.002 0.000 0.290 65 K C 0.112 176.630 176.600 -0.136 0.000 1.069 65 K CA -0.116 56.097 56.287 -0.124 0.000 0.941 65 K CB 0.426 32.868 32.500 -0.098 0.000 1.023 65 K HN 0.432 nan 8.250 nan 0.000 0.477 66 K N 2.722 123.049 120.400 -0.121 0.000 2.586 66 K HA -0.189 4.132 4.320 0.002 0.000 0.280 66 K C 0.128 176.671 176.600 -0.095 0.000 0.972 66 K CA 0.607 56.827 56.287 -0.111 0.000 1.040 66 K CB 0.308 32.751 32.500 -0.095 0.000 0.870 66 K HN 0.775 nan 8.250 nan 0.000 0.497 67 D N -0.273 120.073 120.400 -0.091 0.000 2.495 67 D HA -0.184 4.458 4.640 0.002 0.000 0.175 67 D C -0.894 175.356 176.300 -0.083 0.000 1.040 67 D CA 2.073 56.029 54.000 -0.074 0.000 1.049 67 D CB -0.874 39.893 40.800 -0.055 0.000 1.105 67 D HN 0.594 nan 8.370 nan 0.000 0.457 68 S N -2.147 113.489 115.700 -0.107 0.000 2.638 68 S HA 0.567 5.038 4.470 0.002 0.000 0.302 68 S C 1.132 175.631 174.600 -0.168 0.000 1.096 68 S CA 0.002 58.134 58.200 -0.113 0.000 0.953 68 S CB 1.766 64.909 63.200 -0.095 0.000 1.107 68 S HN 0.301 nan 8.310 nan 0.000 0.503 69 T N -0.698 113.768 114.554 -0.147 0.000 3.067 69 T HA 0.133 4.485 4.350 0.002 0.000 0.261 69 T C 0.304 174.873 174.700 -0.219 0.000 1.110 69 T CA 0.228 62.214 62.100 -0.189 0.000 1.113 69 T CB -0.151 68.664 68.868 -0.088 0.000 0.917 69 T HN 0.234 nan 8.240 nan 0.000 0.499 70 K N 1.909 122.229 120.400 -0.133 0.000 2.453 70 K HA 0.053 4.375 4.320 0.002 0.000 0.280 70 K C -0.757 175.792 176.600 -0.086 0.000 1.045 70 K CA 0.155 56.407 56.287 -0.058 0.000 1.059 70 K CB 0.083 32.555 32.500 -0.046 0.000 0.901 70 K HN 0.497 nan 8.250 nan 0.000 0.475 71 W N 2.374 123.643 121.300 -0.051 0.000 2.316 71 W HA 0.268 4.929 4.660 0.002 0.000 0.321 71 W C 1.072 177.547 176.519 -0.074 0.000 1.203 71 W CA -0.382 56.929 57.345 -0.058 0.000 1.214 71 W CB 0.807 30.236 29.460 -0.052 0.000 1.169 71 W HN 0.382 nan 8.180 nan 0.000 0.561 72 R N 2.950 123.561 120.500 0.184 0.000 2.668 72 R HA 0.335 4.677 4.340 0.002 0.000 0.279 72 R C -0.389 175.917 176.300 0.010 0.000 0.976 72 R CA -0.869 55.261 56.100 0.049 0.000 0.978 72 R CB 1.225 31.518 30.300 -0.011 0.000 1.133 72 R HN 0.317 nan 8.270 nan 0.000 0.484 73 K N 3.570 123.929 120.400 -0.068 0.000 2.156 73 K HA 0.284 4.606 4.320 0.002 0.000 0.271 73 K C -1.522 174.932 176.600 -0.244 0.000 0.995 73 K CA -0.608 55.582 56.287 -0.163 0.000 0.890 73 K CB 1.059 33.462 32.500 -0.161 0.000 1.073 73 K HN 0.302 nan 8.250 nan 0.000 0.454 74 L N 4.965 125.910 121.223 -0.464 0.000 2.441 74 L HA 0.330 4.671 4.340 0.002 0.000 0.270 74 L C -1.417 175.087 176.870 -0.610 0.000 0.973 74 L CA -0.652 53.841 54.840 -0.579 0.000 0.842 74 L CB 1.741 43.260 42.059 -0.900 0.000 1.239 74 L HN 0.290 nan 8.230 nan 0.000 0.406 75 V N 3.269 122.974 119.914 -0.349 0.000 2.532 75 V HA 0.374 4.495 4.120 0.002 0.000 0.295 75 V C -0.377 175.606 176.094 -0.186 0.000 1.041 75 V CA -0.624 61.428 62.300 -0.414 0.000 0.926 75 V CB 1.726 33.071 31.823 -0.796 0.000 0.992 75 V HN 0.738 nan 8.190 nan 0.000 0.457 76 D N 2.855 123.229 120.400 -0.043 0.000 2.524 76 D HA 0.239 4.881 4.640 0.002 0.000 0.222 76 D C 0.254 176.607 176.300 0.089 0.000 1.142 76 D CA -0.339 53.790 54.000 0.215 0.000 0.973 76 D CB 0.114 41.202 40.800 0.480 0.000 1.025 76 D HN 0.346 nan 8.370 nan 0.000 0.519 77 F N 1.708 121.795 119.950 0.228 0.000 2.769 77 F HA 0.206 4.735 4.527 0.003 0.000 0.304 77 F C 2.106 178.036 175.800 0.216 0.000 1.158 77 F CA -0.072 58.056 58.000 0.214 0.000 1.398 77 F CB -0.081 39.078 39.000 0.266 0.000 1.094 77 F HN 0.246 nan 8.300 nan 0.000 0.553 78 R N 0.229 120.927 120.500 0.330 0.000 2.119 78 R HA -0.199 4.143 4.340 0.002 0.000 0.246 78 R C 1.959 178.373 176.300 0.189 0.000 1.146 78 R CA 1.703 57.935 56.100 0.220 0.000 0.962 78 R CB -0.257 30.104 30.300 0.102 0.000 0.863 78 R HN 0.227 nan 8.270 nan 0.000 0.442 79 E N 0.475 120.787 120.200 0.187 0.000 2.107 79 E HA -0.151 4.200 4.350 0.002 0.000 0.191 79 E C 1.974 178.675 176.600 0.168 0.000 0.982 79 E CA 0.698 57.187 56.400 0.149 0.000 0.809 79 E CB -0.248 29.530 29.700 0.130 0.000 0.756 79 E HN 0.156 nan 8.360 nan 0.000 0.459 80 L N 1.956 123.332 121.223 0.255 0.000 2.027 80 L HA -0.120 4.221 4.340 0.002 0.000 0.206 80 L C 1.563 178.624 176.870 0.319 0.000 1.074 80 L CA 1.616 56.609 54.840 0.255 0.000 0.745 80 L CB -0.842 41.404 42.059 0.311 0.000 0.898 80 L HN -0.042 nan 8.230 nan 0.000 0.433 81 N N 0.521 119.445 118.700 0.373 0.000 2.021 81 N HA -0.253 4.488 4.740 0.002 0.000 0.198 81 N C 1.716 177.314 175.510 0.147 0.000 1.041 81 N CA 1.999 55.208 53.050 0.265 0.000 0.862 81 N CB -0.428 38.192 38.487 0.222 0.000 1.048 81 N HN 0.400 nan 8.380 nan 0.000 0.427 82 K N 0.413 120.887 120.400 0.124 0.000 2.160 82 K HA -0.101 4.220 4.320 0.002 0.000 0.206 82 K C 1.837 178.461 176.600 0.040 0.000 1.047 82 K CA 1.179 57.506 56.287 0.068 0.000 0.930 82 K CB -0.145 32.392 32.500 0.061 0.000 0.720 82 K HN 0.272 nan 8.250 nan 0.000 0.450 83 R N 0.261 120.795 120.500 0.056 0.000 2.280 83 R HA 0.059 4.400 4.340 0.002 0.000 0.195 83 R C 0.342 176.651 176.300 0.016 0.000 0.935 83 R CA 0.212 56.319 56.100 0.012 0.000 1.033 83 R CB 0.304 30.590 30.300 -0.023 0.000 0.964 83 R HN -0.006 nan 8.270 nan 0.000 0.489 84 T N 2.699 117.302 114.554 0.082 0.000 2.884 84 T HA 0.010 4.361 4.350 0.002 0.000 0.298 84 T C 0.187 174.787 174.700 -0.167 0.000 0.998 84 T CA -0.369 61.779 62.100 0.081 0.000 1.124 84 T CB 1.111 70.132 68.868 0.255 0.000 0.931 84 T HN 0.247 nan 8.240 nan 0.000 0.531 85 Q N 3.148 122.780 119.800 -0.280 0.000 2.414 85 Q HA 0.023 4.365 4.340 0.002 0.000 0.288 85 Q C -0.783 174.702 176.000 -0.858 0.000 1.086 85 Q CA -0.057 55.458 55.803 -0.479 0.000 0.943 85 Q CB 0.519 28.963 28.738 -0.489 0.000 1.282 85 Q HN 0.484 nan 8.270 nan 0.000 0.438 86 D N 1.201 121.114 120.400 -0.811 0.000 2.348 86 D HA 0.207 4.849 4.640 0.002 0.000 0.249 86 D C -0.618 174.870 176.300 -1.353 0.000 1.110 86 D CA -0.149 53.189 54.000 -1.103 0.000 0.967 86 D CB 0.524 40.774 40.800 -0.917 0.000 1.139 86 D HN 0.527 nan 8.370 nan 0.000 0.466 87 F N 0.289 119.556 119.950 -1.138 0.000 2.893 87 F HA 0.298 4.826 4.527 0.002 0.000 0.340 87 F C -0.112 175.493 175.800 -0.324 0.000 1.300 87 F CA -0.791 56.815 58.000 -0.657 0.000 1.227 87 F CB -0.066 38.625 39.000 -0.514 0.000 1.044 87 F HN 0.190 nan 8.300 nan 0.000 0.512 94 I N -0.882 119.789 120.570 0.167 0.000 2.562 94 I HA 0.711 4.882 4.170 0.002 0.000 0.301 94 I C -1.999 174.229 176.117 0.184 0.000 1.003 94 I CA -2.312 59.085 61.300 0.161 0.000 1.127 94 I CB 1.970 40.080 38.000 0.183 0.000 1.304 94 I HN 0.315 nan 8.210 nan 0.000 0.446 95 P HA 0.053 nan 4.420 nan 0.000 0.268 95 P C -0.823 176.512 177.300 0.058 0.000 1.205 95 P CA 0.209 63.348 63.100 0.065 0.000 0.771 95 P CB 0.437 32.148 31.700 0.018 0.000 0.858 96 H N 4.341 123.377 119.070 -0.057 0.000 2.886 96 H HA 0.156 4.714 4.556 0.002 0.000 0.329 96 H C -1.675 173.525 175.328 -0.214 0.000 1.044 96 H CA -0.960 54.936 56.048 -0.253 0.000 1.456 96 H CB 0.110 29.720 29.762 -0.254 0.000 1.464 96 H HN 0.252 nan 8.280 nan 0.000 0.573 97 P HA 0.156 nan 4.420 nan 0.000 0.283 97 P C 0.040 177.003 177.300 -0.563 0.000 1.412 97 P CA -0.251 62.522 63.100 -0.546 0.000 0.912 97 P CB 1.117 32.562 31.700 -0.425 0.000 1.132 98 A N 4.222 126.896 122.820 -0.244 0.000 2.032 98 A HA -0.139 4.183 4.320 0.002 0.000 0.221 98 A C 2.248 179.745 177.584 -0.146 0.000 1.165 98 A CA 2.050 54.018 52.037 -0.116 0.000 0.645 98 A CB -1.453 17.520 19.000 -0.045 0.000 0.807 98 A HN 0.543 nan 8.150 nan 0.000 0.453 99 G N -0.385 108.320 108.800 -0.159 0.000 2.450 99 G HA2 -0.164 3.798 3.960 0.002 0.000 0.220 99 G HA3 -0.164 3.798 3.960 0.002 0.000 0.220 99 G C 1.397 176.208 174.900 -0.148 0.000 1.130 99 G CA 1.068 46.090 45.100 -0.130 0.000 0.760 99 G HN 0.467 nan 8.290 nan 0.000 0.557 100 L N 1.181 122.284 121.223 -0.201 0.000 2.129 100 L HA -0.119 4.222 4.340 0.002 0.000 0.212 100 L C 2.868 179.624 176.870 -0.190 0.000 1.087 100 L CA 2.334 57.065 54.840 -0.181 0.000 0.757 100 L CB -0.248 41.667 42.059 -0.241 0.000 0.896 100 L HN 0.446 nan 8.230 nan 0.000 0.434 101 K N -1.160 119.122 120.400 -0.196 0.000 2.217 101 K HA -0.097 4.225 4.320 0.002 0.000 0.202 101 K C 1.225 177.664 176.600 -0.269 0.000 1.051 101 K CA 1.071 57.200 56.287 -0.263 0.000 0.952 101 K CB -0.243 32.122 32.500 -0.224 0.000 0.736 101 K HN 0.140 nan 8.250 nan 0.000 0.453 102 K N 1.356 121.644 120.400 -0.187 0.000 2.862 102 K HA 0.142 4.463 4.320 0.002 0.000 0.229 102 K C -0.641 175.873 176.600 -0.143 0.000 1.107 102 K CA -0.051 56.144 56.287 -0.152 0.000 1.222 102 K CB 0.360 32.798 32.500 -0.103 0.000 1.067 102 K HN -0.041 nan 8.250 nan 0.000 0.464 103 K N 0.581 120.872 120.400 -0.181 0.000 2.270 103 K HA 0.220 4.541 4.320 0.002 0.000 0.255 103 K C 0.413 176.912 176.600 -0.168 0.000 0.936 103 K CA -0.432 55.767 56.287 -0.146 0.000 0.809 103 K CB 1.750 34.175 32.500 -0.125 0.000 1.131 103 K HN -0.069 nan 8.250 nan 0.000 0.427 104 K N 0.592 120.922 120.400 -0.117 0.000 2.103 104 K HA -0.043 4.278 4.320 0.002 0.000 0.207 104 K C 0.031 176.598 176.600 -0.054 0.000 1.048 104 K CA 1.132 57.371 56.287 -0.080 0.000 0.930 104 K CB 0.116 32.586 32.500 -0.049 0.000 0.716 104 K HN 0.384 nan 8.250 nan 0.000 0.444 105 S N 0.323 115.902 115.700 -0.202 0.000 2.649 105 S HA 0.308 4.779 4.470 0.002 0.000 0.274 105 S C -0.867 173.519 174.600 -0.356 0.000 1.176 105 S CA -0.931 57.026 58.200 -0.405 0.000 0.988 105 S CB 2.324 65.176 63.200 -0.580 0.000 1.071 105 S HN -0.128 nan 8.310 nan 0.000 0.478 106 V N 2.681 122.448 119.914 -0.245 0.000 2.630 106 V HA 0.719 4.840 4.120 0.002 0.000 0.305 106 V C 0.047 176.171 176.094 0.051 0.000 1.046 106 V CA -0.353 61.935 62.300 -0.021 0.000 0.934 106 V CB 2.151 33.976 31.823 0.003 0.000 1.003 106 V HN 0.923 nan 8.190 nan 0.000 0.451 107 T N 2.832 117.483 114.554 0.161 0.000 2.893 107 T HA 0.638 4.990 4.350 0.002 0.000 0.291 107 T C -0.667 174.072 174.700 0.065 0.000 1.028 107 T CA -0.433 61.744 62.100 0.128 0.000 0.995 107 T CB 1.921 70.867 68.868 0.130 0.000 1.051 107 T HN 0.355 nan 8.240 nan 0.000 0.470 108 V N 3.652 123.586 119.914 0.033 0.000 2.483 108 V HA 0.624 4.745 4.120 0.002 0.000 0.295 108 V C -0.537 175.501 176.094 -0.092 0.000 1.035 108 V CA -0.795 61.437 62.300 -0.115 0.000 0.896 108 V CB 1.375 33.178 31.823 -0.032 0.000 0.986 108 V HN 0.663 nan 8.190 nan 0.000 0.447 109 L N 2.699 123.825 121.223 -0.161 0.000 2.408 109 L HA 0.523 4.864 4.340 0.002 0.000 0.268 109 L C -0.977 175.825 176.870 -0.113 0.000 0.986 109 L CA -0.634 54.139 54.840 -0.111 0.000 0.820 109 L CB 2.338 44.332 42.059 -0.107 0.000 1.303 109 L HN 0.544 nan 8.230 nan 0.000 0.411 110 D N 1.891 122.237 120.400 -0.089 0.000 2.453 110 D HA 0.187 4.828 4.640 0.002 0.000 0.223 110 D C 0.694 176.925 176.300 -0.116 0.000 1.183 110 D CA -0.285 53.664 54.000 -0.085 0.000 0.933 110 D CB 1.152 41.907 40.800 -0.075 0.000 1.038 110 D HN 0.331 nan 8.370 nan 0.000 0.513 111 V N 1.968 121.801 119.914 -0.135 0.000 3.490 111 V HA 0.375 4.496 4.120 0.002 0.000 0.315 111 V C 1.643 177.492 176.094 -0.407 0.000 1.284 111 V CA 0.453 62.629 62.300 -0.206 0.000 1.233 111 V CB 0.078 31.809 31.823 -0.153 0.000 1.101 111 V HN 0.408 nan 8.190 nan 0.000 0.425 112 G N 0.470 109.068 108.800 -0.338 0.000 2.448 112 G HA2 -0.151 3.811 3.960 0.002 0.000 0.218 112 G HA3 -0.151 3.811 3.960 0.002 0.000 0.218 112 G C 1.066 175.631 174.900 -0.557 0.000 1.135 112 G CA 0.840 45.639 45.100 -0.502 0.000 0.784 112 G HN 0.583 nan 8.290 nan 0.000 0.543 113 D N 1.278 121.489 120.400 -0.314 0.000 2.265 113 D HA -0.094 4.547 4.640 0.002 0.000 0.208 113 D C 2.640 178.898 176.300 -0.070 0.000 0.977 113 D CA 0.972 54.872 54.000 -0.167 0.000 0.871 113 D CB -0.013 40.709 40.800 -0.129 0.000 0.925 113 D HN 0.389 nan 8.370 nan 0.000 0.485 114 A N 0.600 123.211 122.820 -0.348 0.000 2.121 114 A HA -0.162 4.159 4.320 0.002 0.000 0.218 114 A C 1.543 178.832 177.584 -0.491 0.000 1.154 114 A CA 0.732 52.552 52.037 -0.362 0.000 0.679 114 A CB -0.642 18.035 19.000 -0.539 0.000 0.795 114 A HN 0.183 nan 8.150 nan 0.000 0.458 115 Y N -0.245 119.848 120.300 -0.345 0.000 2.314 115 Y HA -0.109 4.442 4.550 0.002 0.000 0.293 115 Y C 2.017 177.857 175.900 -0.099 0.000 1.129 115 Y CA 0.259 58.168 58.100 -0.319 0.000 1.201 115 Y CB -1.486 36.860 38.460 -0.190 0.000 0.999 115 Y HN 0.563 nan 8.280 nan 0.000 0.541 116 F N -0.016 119.976 119.950 0.070 0.000 2.307 116 F HA -0.150 4.378 4.527 0.002 0.000 0.301 116 F C 1.883 177.738 175.800 0.092 0.000 1.076 116 F CA 1.043 59.104 58.000 0.101 0.000 1.383 116 F CB -1.222 37.822 39.000 0.073 0.000 1.055 116 F HN -0.119 nan 8.300 nan 0.000 0.526 117 S N 0.166 115.242 115.700 -1.039 0.000 2.383 117 S HA 0.005 4.476 4.470 0.002 0.000 0.227 117 S C 0.874 175.317 174.600 -0.262 0.000 1.026 117 S CA 0.739 58.427 58.200 -0.854 0.000 0.981 117 S CB -0.486 62.365 63.200 -0.581 0.000 0.818 117 S HN 0.155 nan 8.310 nan 0.000 0.472 118 V N 4.665 124.525 119.914 -0.089 0.000 2.481 118 V HA 0.331 4.453 4.120 0.002 0.000 0.286 118 V C -2.172 173.947 176.094 0.043 0.000 1.042 118 V CA -2.241 60.077 62.300 0.029 0.000 0.928 118 V CB 1.231 33.133 31.823 0.131 0.000 0.986 118 V HN 0.162 nan 8.190 nan 0.000 0.462 119 P HA 0.280 nan 4.420 nan 0.000 0.277 119 P C -0.998 176.348 177.300 0.077 0.000 1.240 119 P CA -0.493 62.648 63.100 0.067 0.000 0.798 119 P CB 1.639 33.370 31.700 0.053 0.000 0.979 120 L N 2.099 123.378 121.223 0.094 0.000 2.309 120 L HA 0.382 4.723 4.340 0.002 0.000 0.282 120 L C -0.007 176.921 176.870 0.096 0.000 1.036 120 L CA -0.535 54.363 54.840 0.097 0.000 0.806 120 L CB 0.408 42.530 42.059 0.105 0.000 1.220 120 L HN 0.263 nan 8.230 nan 0.000 0.429 121 D N 2.873 123.333 120.400 0.100 0.000 2.581 121 D HA -0.131 4.511 4.640 0.002 0.000 0.238 121 D C 1.227 177.598 176.300 0.118 0.000 1.145 121 D CA 1.078 55.141 54.000 0.105 0.000 0.866 121 D CB 0.832 41.703 40.800 0.118 0.000 1.151 121 D HN 0.771 nan 8.370 nan 0.000 0.500 122 E N 2.637 122.884 120.200 0.079 0.000 2.147 122 E HA -0.280 4.071 4.350 0.002 0.000 0.199 122 E C 0.659 177.280 176.600 0.036 0.000 1.005 122 E CA 1.482 57.914 56.400 0.053 0.000 0.810 122 E CB -0.082 29.640 29.700 0.036 0.000 0.736 122 E HN 0.504 nan 8.360 nan 0.000 0.460 123 D N -0.632 119.805 120.400 0.061 0.000 2.347 123 D HA -0.053 4.588 4.640 0.002 0.000 0.215 123 D C 1.087 177.397 176.300 0.017 0.000 0.976 123 D CA 0.541 54.560 54.000 0.032 0.000 0.884 123 D CB -0.022 40.823 40.800 0.075 0.000 0.915 123 D HN 0.240 nan 8.370 nan 0.000 0.526 124 F N 1.443 121.357 119.950 -0.061 0.000 2.582 124 F HA 0.139 4.667 4.527 0.002 0.000 0.290 124 F C 2.107 177.814 175.800 -0.156 0.000 1.115 124 F CA 0.053 58.033 58.000 -0.034 0.000 1.445 124 F CB 0.239 39.263 39.000 0.040 0.000 1.126 124 F HN -0.288 nan 8.300 nan 0.000 0.574 125 R N 1.142 121.608 120.500 -0.057 0.000 2.153 125 R HA -0.252 4.090 4.340 0.002 0.000 0.252 125 R C 2.174 178.369 176.300 -0.175 0.000 1.158 125 R CA 2.158 58.215 56.100 -0.072 0.000 0.975 125 R CB -0.697 29.607 30.300 0.006 0.000 0.871 125 R HN 0.400 nan 8.270 nan 0.000 0.450 126 K N -0.130 120.069 120.400 -0.335 0.000 2.103 126 K HA -0.193 4.128 4.320 0.002 0.000 0.207 126 K C 1.494 177.963 176.600 -0.219 0.000 1.048 126 K CA 1.699 57.825 56.287 -0.267 0.000 0.930 126 K CB -0.521 31.775 32.500 -0.339 0.000 0.716 126 K HN 0.195 nan 8.250 nan 0.000 0.444 127 Y N 2.685 122.714 120.300 -0.452 0.000 2.569 127 Y HA -0.090 4.461 4.550 0.002 0.000 0.293 127 Y C 2.300 178.008 175.900 -0.319 0.000 1.144 127 Y CA 1.205 58.906 58.100 -0.665 0.000 1.321 127 Y CB -0.875 36.881 38.460 -1.173 0.000 0.982 127 Y HN 0.373 nan 8.280 nan 0.000 0.558 128 T N -2.856 111.691 114.554 -0.012 0.000 3.122 128 T HA 0.525 4.876 4.350 0.002 0.000 0.250 128 T C 0.887 175.832 174.700 0.408 0.000 1.067 128 T CA 0.041 62.297 62.100 0.261 0.000 0.966 128 T CB -0.533 68.496 68.868 0.269 0.000 1.002 128 T HN 0.203 nan 8.240 nan 0.000 0.542 129 A N 1.842 124.807 122.820 0.241 0.000 2.561 129 A HA 0.498 4.820 4.320 0.002 0.000 0.234 129 A C 0.009 177.754 177.584 0.268 0.000 1.055 129 A CA -0.195 51.948 52.037 0.177 0.000 0.756 129 A CB -0.594 18.478 19.000 0.120 0.000 0.986 129 A HN 0.831 nan 8.150 nan 0.000 0.505 130 F N -0.832 119.172 119.950 0.091 0.000 2.685 130 F HA 0.854 5.382 4.527 0.002 0.000 0.315 130 F C -0.401 175.419 175.800 0.032 0.000 1.126 130 F CA -0.783 57.235 58.000 0.031 0.000 0.950 130 F CB 1.364 40.364 39.000 -0.001 0.000 1.360 130 F HN 0.397 nan 8.300 nan 0.000 0.469 131 T N 2.071 116.752 114.554 0.211 0.000 2.916 131 T HA 0.582 4.934 4.350 0.002 0.000 0.298 131 T C -0.856 173.921 174.700 0.129 0.000 1.031 131 T CA -0.464 61.681 62.100 0.075 0.000 0.993 131 T CB 1.739 70.605 68.868 -0.003 0.000 1.045 131 T HN 0.616 nan 8.240 nan 0.000 0.454 132 I N 5.107 125.740 120.570 0.104 0.000 2.312 132 I HA 0.318 4.489 4.170 0.002 0.000 0.290 132 I C -1.879 174.243 176.117 0.009 0.000 1.008 132 I CA -2.297 59.048 61.300 0.075 0.000 1.226 132 I CB 1.492 39.558 38.000 0.110 0.000 1.371 132 I HN 0.337 nan 8.210 nan 0.000 0.468 133 P HA 0.167 nan 4.420 nan 0.000 0.277 133 P C -0.748 176.537 177.300 -0.026 0.000 1.276 133 P CA -0.325 62.760 63.100 -0.025 0.000 0.788 133 P CB 1.002 32.684 31.700 -0.029 0.000 1.114 134 S N -1.328 114.356 115.700 -0.027 0.000 2.541 134 S HA 0.501 4.972 4.470 0.002 0.000 0.280 134 S C 0.079 174.664 174.600 -0.025 0.000 1.112 134 S CA -0.989 57.194 58.200 -0.027 0.000 0.925 134 S CB 0.490 63.673 63.200 -0.028 0.000 1.067 134 S HN 0.280 nan 8.310 nan 0.000 0.479 135 I N 3.038 123.593 120.570 -0.025 0.000 2.826 135 I HA -0.009 4.162 4.170 0.002 0.000 0.295 135 I C 1.334 177.440 176.117 -0.018 0.000 1.213 135 I CA 0.411 61.698 61.300 -0.021 0.000 1.436 135 I CB -0.340 37.648 38.000 -0.021 0.000 1.348 135 I HN 0.972 nan 8.210 nan 0.000 0.570 136 N N 4.706 123.397 118.700 -0.015 0.000 2.765 136 N HA -0.276 4.465 4.740 0.002 0.000 0.248 136 N C 0.094 175.595 175.510 -0.015 0.000 1.063 136 N CA 1.352 54.394 53.050 -0.013 0.000 0.862 136 N CB -0.869 37.611 38.487 -0.012 0.000 1.145 136 N HN 0.841 nan 8.380 nan 0.000 0.581 137 N N -0.533 118.157 118.700 -0.017 0.000 2.740 137 N HA -0.204 4.537 4.740 0.002 0.000 0.248 137 N C 0.080 175.577 175.510 -0.021 0.000 1.062 137 N CA 1.280 54.318 53.050 -0.020 0.000 0.704 137 N CB -1.216 37.260 38.487 -0.018 0.000 0.968 137 N HN 0.689 nan 8.380 nan 0.000 0.547 138 E N -0.802 119.385 120.200 -0.021 0.000 2.435 138 E HA 0.035 4.386 4.350 0.002 0.000 0.195 138 E C 0.006 176.592 176.600 -0.025 0.000 1.029 138 E CA 0.728 57.116 56.400 -0.021 0.000 0.865 138 E CB 0.370 30.059 29.700 -0.018 0.000 0.833 138 E HN 0.250 nan 8.360 nan 0.000 0.510 139 T N 1.499 116.036 114.554 -0.028 0.000 2.876 139 T HA 0.345 4.697 4.350 0.002 0.000 0.289 139 T C -2.614 172.063 174.700 -0.039 0.000 1.014 139 T CA -1.589 60.491 62.100 -0.034 0.000 0.986 139 T CB 2.048 70.895 68.868 -0.034 0.000 1.021 139 T HN -0.200 nan 8.240 nan 0.000 0.458 140 P HA 0.307 nan 4.420 nan 0.000 0.272 140 P C 0.356 177.618 177.300 -0.062 0.000 1.223 140 P CA -0.213 62.855 63.100 -0.054 0.000 0.784 140 P CB 0.354 32.016 31.700 -0.063 0.000 0.923 141 G N 1.566 110.329 108.800 -0.062 0.000 2.554 141 G HA2 0.227 4.188 3.960 0.002 0.000 0.238 141 G HA3 0.227 4.188 3.960 0.002 0.000 0.238 141 G C -0.276 174.562 174.900 -0.103 0.000 1.259 141 G CA -0.495 44.566 45.100 -0.065 0.000 0.843 141 G HN 0.432 nan 8.290 nan 0.000 0.582 142 I N 2.282 122.791 120.570 -0.102 0.000 2.287 142 I HA 0.229 4.401 4.170 0.002 0.000 0.290 142 I C 0.438 176.371 176.117 -0.305 0.000 1.069 142 I CA -0.571 60.604 61.300 -0.208 0.000 1.237 142 I CB 0.557 38.487 38.000 -0.117 0.000 1.418 142 I HN 0.195 nan 8.210 nan 0.000 0.481 143 R N 5.974 126.232 120.500 -0.404 0.000 2.357 143 R HA 0.561 4.902 4.340 0.002 0.000 0.296 143 R C -1.202 174.702 176.300 -0.660 0.000 1.052 143 R CA -0.438 55.413 56.100 -0.414 0.000 0.988 143 R CB 1.120 31.254 30.300 -0.277 0.000 1.025 143 R HN 0.445 nan 8.270 nan 0.000 0.469 144 Y N -0.387 119.537 120.300 -0.627 0.000 2.625 144 Y HA 0.238 4.789 4.550 0.002 0.000 0.338 144 Y C 0.069 175.618 175.900 -0.585 0.000 1.123 144 Y CA -0.983 56.747 58.100 -0.616 0.000 1.046 144 Y CB 2.059 40.022 38.460 -0.828 0.000 1.299 144 Y HN 0.503 nan 8.280 nan 0.000 0.464 145 Q N -0.315 119.427 119.800 -0.098 0.000 2.553 145 Q HA 0.560 4.901 4.340 0.002 0.000 0.293 145 Q C -2.151 173.926 176.000 0.128 0.000 1.038 145 Q CA -1.126 54.715 55.803 0.063 0.000 0.777 145 Q CB 2.379 31.142 28.738 0.042 0.000 1.487 145 Q HN 0.662 nan 8.270 nan 0.000 0.426 146 Y N 0.738 121.138 120.300 0.167 0.000 2.310 146 Y HA 0.266 4.817 4.550 0.002 0.000 0.326 146 Y C 0.422 176.377 175.900 0.092 0.000 1.151 146 Y CA 0.118 58.314 58.100 0.159 0.000 1.195 146 Y CB 1.618 40.181 38.460 0.171 0.000 1.210 146 Y HN 0.784 nan 8.280 nan 0.000 0.483 147 N N 0.280 119.133 118.700 0.256 0.000 2.250 147 N HA 0.108 4.849 4.740 0.002 0.000 0.190 147 N C -0.539 175.083 175.510 0.188 0.000 1.116 147 N CA 0.077 53.228 53.050 0.169 0.000 0.881 147 N CB 0.817 39.373 38.487 0.115 0.000 1.006 147 N HN 0.359 nan 8.380 nan 0.000 0.491 148 V N -2.110 117.973 119.914 0.282 0.000 3.184 148 V HA 0.507 4.629 4.120 0.002 0.000 0.308 148 V C -0.171 176.039 176.094 0.194 0.000 1.243 148 V CA -1.255 61.185 62.300 0.234 0.000 1.058 148 V CB 0.922 32.909 31.823 0.272 0.000 1.183 148 V HN -0.130 nan 8.190 nan 0.000 0.471 149 L N 2.189 123.496 121.223 0.140 0.000 2.361 149 L HA 0.411 4.752 4.340 0.002 0.000 0.278 149 L C -2.305 174.571 176.870 0.011 0.000 1.113 149 L CA -1.232 53.647 54.840 0.066 0.000 0.849 149 L CB 0.778 42.846 42.059 0.015 0.000 1.155 149 L HN 0.504 nan 8.230 nan 0.000 0.452 150 P HA 0.170 nan 4.420 nan 0.000 0.278 150 P C -1.011 176.285 177.300 -0.007 0.000 1.238 150 P CA -0.585 62.212 63.100 -0.504 0.000 0.794 150 P CB 0.689 31.870 31.700 -0.865 0.000 0.955 151 Q N 0.771 120.669 119.800 0.164 0.000 2.340 151 Q HA 0.402 4.744 4.340 0.002 0.000 0.249 151 Q C 1.165 177.385 176.000 0.366 0.000 0.957 151 Q CA 0.690 56.682 55.803 0.315 0.000 0.882 151 Q CB 0.266 29.145 28.738 0.234 0.000 1.235 151 Q HN 0.829 nan 8.270 nan 0.000 0.439 152 G N 1.492 110.512 108.800 0.366 0.000 2.176 152 G HA2 -0.257 3.705 3.960 0.002 0.000 0.253 152 G HA3 -0.257 3.705 3.960 0.002 0.000 0.253 152 G C -0.725 174.468 174.900 0.487 0.000 0.979 152 G CA 0.072 45.446 45.100 0.456 0.000 0.641 152 G HN 0.631 nan 8.290 nan 0.000 0.530 153 W N 2.395 123.677 121.300 -0.030 0.000 2.438 153 W HA 0.628 5.289 4.660 0.002 0.000 0.324 153 W C 1.469 177.879 176.519 -0.183 0.000 1.119 153 W CA -0.941 56.221 57.345 -0.304 0.000 1.221 153 W CB 0.940 29.946 29.460 -0.757 0.000 1.253 153 W HN 0.175 nan 8.180 nan 0.000 0.555 154 K N 2.637 122.693 120.400 -0.574 0.000 2.148 154 K HA -0.024 4.297 4.320 0.002 0.000 0.204 154 K C 1.688 177.730 176.600 -0.931 0.000 1.050 154 K CA 1.665 57.607 56.287 -0.575 0.000 0.942 154 K CB -0.672 31.617 32.500 -0.351 0.000 0.724 154 K HN 0.618 nan 8.250 nan 0.000 0.446 155 G N 0.618 108.279 108.800 -1.898 0.000 2.498 155 G HA2 -0.195 3.766 3.960 0.002 0.000 0.219 155 G HA3 -0.195 3.766 3.960 0.002 0.000 0.219 155 G C 1.177 175.318 174.900 -1.265 0.000 1.119 155 G CA 0.695 44.625 45.100 -1.949 0.000 0.766 155 G HN 0.351 nan 8.290 nan 0.000 0.552 156 S N 1.544 116.678 115.700 -0.944 0.000 2.325 156 S HA -0.040 4.431 4.470 0.002 0.000 0.213 156 S C 0.253 174.422 174.600 -0.719 0.000 1.031 156 S CA 1.291 59.012 58.200 -0.800 0.000 0.984 156 S CB -0.864 61.663 63.200 -1.120 0.000 0.939 156 S HN 0.326 nan 8.310 nan 0.000 0.438 157 P HA -0.177 nan 4.420 nan 0.000 0.217 157 P C 1.248 178.431 177.300 -0.195 0.000 1.151 157 P CA 1.767 64.745 63.100 -0.204 0.000 0.849 157 P CB -0.174 31.447 31.700 -0.133 0.000 0.787 158 A N 0.515 123.102 122.820 -0.388 0.000 1.841 158 A HA -0.174 4.148 4.320 0.002 0.000 0.216 158 A C 2.406 179.737 177.584 -0.422 0.000 1.199 158 A CA 1.829 53.590 52.037 -0.460 0.000 0.621 158 A CB -1.615 16.851 19.000 -0.890 0.000 0.835 158 A HN 0.126 nan 8.150 nan 0.000 0.445 159 I N -2.115 118.147 120.570 -0.513 0.000 2.423 159 I HA -0.200 3.972 4.170 0.002 0.000 0.254 159 I C 1.825 177.877 176.117 -0.108 0.000 1.151 159 I CA 1.200 62.303 61.300 -0.329 0.000 1.421 159 I CB -0.145 37.675 38.000 -0.300 0.000 1.079 159 I HN 0.394 nan 8.210 nan 0.000 0.431 160 F N 0.739 120.551 119.950 -0.229 0.000 2.645 160 F HA 0.115 4.644 4.527 0.002 0.000 0.300 160 F C 1.951 177.699 175.800 -0.086 0.000 1.115 160 F CA -0.023 57.915 58.000 -0.104 0.000 1.355 160 F CB -0.085 38.922 39.000 0.011 0.000 1.026 160 F HN -0.079 nan 8.300 nan 0.000 0.536 161 Q N 0.385 120.113 119.800 -0.121 0.000 2.049 161 Q HA -0.136 4.205 4.340 0.002 0.000 0.198 161 Q C 2.536 178.412 176.000 -0.207 0.000 0.971 161 Q CA 2.182 57.906 55.803 -0.133 0.000 0.833 161 Q CB -0.368 28.318 28.738 -0.086 0.000 0.896 161 Q HN 0.443 nan 8.270 nan 0.000 0.434 162 S N -0.927 114.646 115.700 -0.211 0.000 2.370 162 S HA -0.166 4.305 4.470 0.002 0.000 0.226 162 S C 2.080 176.505 174.600 -0.291 0.000 1.033 162 S CA 1.554 59.636 58.200 -0.196 0.000 1.011 162 S CB -0.659 62.450 63.200 -0.153 0.000 0.852 162 S HN 0.313 nan 8.310 nan 0.000 0.457 163 S N 1.420 116.826 115.700 -0.491 0.000 2.406 163 S HA 0.094 4.565 4.470 0.002 0.000 0.228 163 S C 1.767 175.930 174.600 -0.727 0.000 1.020 163 S CA 1.212 59.005 58.200 -0.678 0.000 0.965 163 S CB -0.426 62.142 63.200 -1.053 0.000 0.798 163 S HN 0.446 nan 8.310 nan 0.000 0.488 164 M N 2.133 121.326 119.600 -0.678 0.000 2.098 164 M HA -0.000 4.481 4.480 0.002 0.000 0.262 164 M C 2.341 178.503 176.300 -0.231 0.000 1.072 164 M CA 1.748 56.834 55.300 -0.357 0.000 1.133 164 M CB -1.441 31.101 32.600 -0.097 0.000 1.344 164 M HN 0.264 nan 8.290 nan 0.000 0.414 165 T N -0.140 114.311 114.554 -0.172 0.000 2.788 165 T HA -0.174 4.177 4.350 0.002 0.000 0.268 165 T C 1.871 176.507 174.700 -0.107 0.000 1.044 165 T CA 1.904 63.946 62.100 -0.096 0.000 1.139 165 T CB -0.141 68.691 68.868 -0.060 0.000 0.867 165 T HN 0.467 nan 8.240 nan 0.000 0.454 166 K N 0.532 120.835 120.400 -0.163 0.000 2.044 166 K HA -0.091 4.230 4.320 0.002 0.000 0.210 166 K C 2.280 178.786 176.600 -0.157 0.000 1.049 166 K CA 2.031 58.236 56.287 -0.137 0.000 0.927 166 K CB -0.448 31.956 32.500 -0.161 0.000 0.713 166 K HN 0.677 nan 8.250 nan 0.000 0.443 167 I N -1.365 118.991 120.570 -0.357 0.000 2.546 167 I HA -0.154 4.017 4.170 0.002 0.000 0.255 167 I C 1.732 177.788 176.117 -0.102 0.000 1.163 167 I CA 1.086 62.076 61.300 -0.517 0.000 1.457 167 I CB -0.104 37.144 38.000 -1.253 0.000 1.092 167 I HN 0.028 nan 8.210 nan 0.000 0.434 168 L N 1.013 122.203 121.223 -0.054 0.000 2.068 168 L HA -0.073 4.269 4.340 0.002 0.000 0.204 168 L C 2.583 179.570 176.870 0.195 0.000 1.076 168 L CA 1.219 56.133 54.840 0.124 0.000 0.753 168 L CB -0.675 41.413 42.059 0.049 0.000 0.910 168 L HN 0.256 nan 8.230 nan 0.000 0.439 169 E N 0.360 120.622 120.200 0.103 0.000 2.164 169 E HA -0.305 4.046 4.350 0.002 0.000 0.233 169 E C -0.523 176.131 176.600 0.091 0.000 1.073 169 E CA 2.156 58.607 56.400 0.084 0.000 0.941 169 E CB -1.644 28.087 29.700 0.052 0.000 0.820 169 E HN 0.397 nan 8.360 nan 0.000 0.486 170 P HA -0.217 nan 4.420 nan 0.000 0.219 170 P C 1.095 178.396 177.300 0.001 0.000 1.151 170 P CA 1.290 64.410 63.100 0.033 0.000 0.850 170 P CB -0.089 31.631 31.700 0.033 0.000 0.784 171 F N -0.446 119.431 119.950 -0.122 0.000 2.219 171 F HA 0.045 4.574 4.527 0.002 0.000 0.294 171 F C 2.244 178.033 175.800 -0.019 0.000 1.086 171 F CA 0.935 58.875 58.000 -0.100 0.000 1.330 171 F CB -0.230 38.752 39.000 -0.029 0.000 1.047 171 F HN -0.334 nan 8.300 nan 0.000 0.495 172 R N 0.130 120.698 120.500 0.113 0.000 2.105 172 R HA -0.164 4.178 4.340 0.002 0.000 0.239 172 R C 1.893 178.160 176.300 -0.055 0.000 1.135 172 R CA 1.626 57.748 56.100 0.037 0.000 0.967 172 R CB -0.177 30.177 30.300 0.089 0.000 0.861 172 R HN 0.124 nan 8.270 nan 0.000 0.442 173 K N 0.358 120.727 120.400 -0.051 0.000 2.116 173 K HA -0.029 4.293 4.320 0.002 0.000 0.203 173 K C 1.971 178.507 176.600 -0.108 0.000 1.052 173 K CA 1.077 57.328 56.287 -0.060 0.000 0.952 173 K CB 0.001 32.483 32.500 -0.031 0.000 0.729 173 K HN 0.153 nan 8.250 nan 0.000 0.446 174 Q N 0.210 119.914 119.800 -0.161 0.000 2.226 174 Q HA -0.051 4.290 4.340 0.002 0.000 0.204 174 Q C -0.349 175.495 176.000 -0.260 0.000 0.975 174 Q CA 1.028 56.710 55.803 -0.201 0.000 0.866 174 Q CB -0.035 28.556 28.738 -0.244 0.000 0.915 174 Q HN 0.278 nan 8.270 nan 0.000 0.440 175 N N 0.052 118.550 118.700 -0.336 0.000 2.727 175 N HA 0.098 4.840 4.740 0.002 0.000 0.252 175 N C -2.363 173.041 175.510 -0.177 0.000 1.283 175 N CA -0.822 52.049 53.050 -0.300 0.000 0.782 175 N CB 1.493 39.674 38.487 -0.511 0.000 1.199 175 N HN -0.019 nan 8.380 nan 0.000 0.520 176 P HA -0.087 nan 4.420 nan 0.000 0.237 176 P C 0.085 177.362 177.300 -0.038 0.000 1.178 176 P CA 0.911 63.976 63.100 -0.058 0.000 0.766 176 P CB 0.618 32.289 31.700 -0.048 0.000 0.876 177 D N -0.209 120.166 120.400 -0.042 0.000 2.339 177 D HA 0.080 4.722 4.640 0.002 0.000 0.217 177 D C 0.334 176.633 176.300 -0.002 0.000 1.050 177 D CA -0.047 53.939 54.000 -0.022 0.000 0.856 177 D CB 0.302 41.089 40.800 -0.023 0.000 0.922 177 D HN 0.196 nan 8.370 nan 0.000 0.518 178 I N 1.502 122.076 120.570 0.007 0.000 2.392 178 I HA 0.194 4.365 4.170 0.002 0.000 0.295 178 I C -0.131 176.029 176.117 0.073 0.000 0.985 178 I CA -0.855 60.481 61.300 0.059 0.000 1.221 178 I CB 2.261 40.321 38.000 0.100 0.000 1.366 178 I HN -0.324 nan 8.210 nan 0.000 0.467 179 V N 7.155 127.117 119.914 0.080 0.000 2.472 179 V HA 0.455 4.577 4.120 0.002 0.000 0.290 179 V C 0.004 176.179 176.094 0.136 0.000 1.037 179 V CA -0.461 61.884 62.300 0.075 0.000 0.908 179 V CB 1.880 33.714 31.823 0.018 0.000 0.985 179 V HN 0.467 nan 8.190 nan 0.000 0.454 180 I N 4.934 125.597 120.570 0.155 0.000 2.447 180 I HA 0.422 4.593 4.170 0.002 0.000 0.287 180 I C -1.412 174.861 176.117 0.261 0.000 1.023 180 I CA -0.636 60.783 61.300 0.198 0.000 1.083 180 I CB 1.688 39.791 38.000 0.172 0.000 1.245 180 I HN 0.614 nan 8.210 nan 0.000 0.434 181 Y N 6.428 126.831 120.300 0.172 0.000 2.462 181 Y HA 0.427 4.979 4.550 0.002 0.000 0.346 181 Y C -0.792 175.308 175.900 0.333 0.000 0.976 181 Y CA -0.842 57.378 58.100 0.200 0.000 1.044 181 Y CB 1.769 40.319 38.460 0.150 0.000 1.230 181 Y HN 0.528 nan 8.280 nan 0.000 0.455 182 Q N 5.916 125.507 119.800 -0.349 0.000 2.341 182 Q HA 0.324 4.665 4.340 0.002 0.000 0.268 182 Q C -2.336 173.432 176.000 -0.386 0.000 1.013 182 Q CA -0.799 54.868 55.803 -0.225 0.000 0.798 182 Q CB 1.317 30.027 28.738 -0.048 0.000 1.253 182 Q HN 0.799 nan 8.270 nan 0.000 0.457 183 Y N 6.701 126.925 120.300 -0.127 0.000 2.338 183 Y HA 0.300 4.852 4.550 0.002 0.000 0.333 183 Y C 0.218 176.238 175.900 0.200 0.000 0.968 183 Y CA -0.399 57.704 58.100 0.005 0.000 1.123 183 Y CB 0.883 39.398 38.460 0.093 0.000 1.165 183 Y HN 0.924 nan 8.280 nan 0.000 0.452 184 M N 1.767 121.284 119.600 -0.139 0.000 7.319 184 M HA -0.397 4.084 4.480 0.002 0.000 0.304 184 M C 0.488 176.939 176.300 0.252 0.000 0.480 184 M CA 2.300 57.665 55.300 0.107 0.000 1.311 184 M CB -1.552 31.296 32.600 0.414 0.000 0.421 184 M HN 0.758 nan 8.290 nan 0.000 0.665 185 D N 0.698 121.296 120.400 0.330 0.000 2.339 185 D HA 0.196 4.837 4.640 0.002 0.000 0.217 185 D C -0.082 176.290 176.300 0.121 0.000 1.050 185 D CA 0.359 54.495 54.000 0.227 0.000 0.856 185 D CB 0.053 40.960 40.800 0.178 0.000 0.922 185 D HN 0.365 nan 8.370 nan 0.000 0.518 186 D N 0.302 120.818 120.400 0.194 0.000 2.326 186 D HA 0.428 5.069 4.640 0.002 0.000 0.251 186 D C -0.425 175.826 176.300 -0.081 0.000 1.023 186 D CA -0.511 53.502 54.000 0.021 0.000 0.966 186 D CB 2.164 42.977 40.800 0.022 0.000 1.156 186 D HN -0.155 nan 8.370 nan 0.000 0.494 187 L N 1.505 122.561 121.223 -0.280 0.000 2.439 187 L HA 0.306 4.647 4.340 0.002 0.000 0.270 187 L C -1.664 175.014 176.870 -0.320 0.000 0.972 187 L CA -0.621 54.121 54.840 -0.163 0.000 0.836 187 L CB 1.268 43.278 42.059 -0.082 0.000 1.255 187 L HN 0.229 nan 8.230 nan 0.000 0.404 188 Y N 3.885 124.267 120.300 0.136 0.000 2.331 188 Y HA 0.655 5.206 4.550 0.002 0.000 0.338 188 Y C -0.112 175.870 175.900 0.137 0.000 0.992 188 Y CA -1.173 57.017 58.100 0.151 0.000 1.121 188 Y CB 1.573 40.154 38.460 0.203 0.000 1.184 188 Y HN 0.212 nan 8.280 nan 0.000 0.469 189 V N 2.601 122.640 119.914 0.209 0.000 2.378 189 V HA 0.794 4.915 4.120 0.002 0.000 0.288 189 V C 0.313 176.532 176.094 0.208 0.000 1.016 189 V CA -0.872 61.543 62.300 0.191 0.000 0.840 189 V CB 1.224 33.133 31.823 0.144 0.000 0.994 189 V HN 0.947 nan 8.190 nan 0.000 0.431 190 G N 2.885 111.782 108.800 0.162 0.000 2.416 190 G HA2 0.768 4.730 3.960 0.002 0.000 0.329 190 G HA3 0.768 4.730 3.960 0.002 0.000 0.329 190 G C -0.442 174.522 174.900 0.106 0.000 1.173 190 G CA -0.255 44.906 45.100 0.102 0.000 0.929 190 G HN 1.047 nan 8.290 nan 0.000 0.475 191 S N -0.207 115.545 115.700 0.086 0.000 2.570 191 S HA 0.421 4.892 4.470 0.002 0.000 0.270 191 S C -0.582 174.026 174.600 0.013 0.000 1.149 191 S CA -0.852 57.402 58.200 0.090 0.000 0.837 191 S CB 2.215 65.548 63.200 0.221 0.000 1.124 191 S HN 0.452 nan 8.310 nan 0.000 0.465 192 D N 0.954 121.360 120.400 0.010 0.000 2.340 192 D HA 0.203 4.844 4.640 0.002 0.000 0.217 192 D C 0.434 176.737 176.300 0.006 0.000 1.081 192 D CA 0.086 54.078 54.000 -0.014 0.000 0.842 192 D CB 0.156 40.945 40.800 -0.018 0.000 0.934 192 D HN 0.431 nan 8.370 nan 0.000 0.511 193 L N 1.605 122.855 121.223 0.045 0.000 2.476 193 L HA 0.080 4.421 4.340 0.002 0.000 0.264 193 L C 0.960 177.868 176.870 0.064 0.000 1.224 193 L CA -0.404 54.477 54.840 0.068 0.000 0.821 193 L CB 0.113 42.243 42.059 0.117 0.000 1.101 193 L HN -0.032 nan 8.230 nan 0.000 0.488 194 E N 0.802 121.042 120.200 0.065 0.000 2.366 194 E HA 0.047 4.398 4.350 0.002 0.000 0.266 194 E C 0.838 177.505 176.600 0.111 0.000 1.051 194 E CA -0.455 55.981 56.400 0.060 0.000 0.884 194 E CB 0.811 30.536 29.700 0.042 0.000 1.006 194 E HN 0.447 nan 8.360 nan 0.000 0.417 195 I N 3.455 124.088 120.570 0.104 0.000 2.267 195 I HA -0.372 3.799 4.170 0.002 0.000 0.239 195 I C 1.734 177.967 176.117 0.193 0.000 0.984 195 I CA 2.965 64.364 61.300 0.164 0.000 1.272 195 I CB -0.920 37.157 38.000 0.128 0.000 0.976 195 I HN 0.846 nan 8.210 nan 0.000 0.407 196 G N -1.566 107.308 108.800 0.123 0.000 2.434 196 G HA2 -0.258 3.703 3.960 0.002 0.000 0.214 196 G HA3 -0.258 3.703 3.960 0.002 0.000 0.214 196 G C 1.481 176.438 174.900 0.096 0.000 1.202 196 G CA 0.796 45.953 45.100 0.096 0.000 0.788 196 G HN 0.579 nan 8.290 nan 0.000 0.539 197 Q N -0.651 119.205 119.800 0.094 0.000 2.181 197 Q HA -0.149 4.193 4.340 0.002 0.000 0.205 197 Q C 2.146 178.215 176.000 0.113 0.000 0.980 197 Q CA 1.605 57.458 55.803 0.084 0.000 0.862 197 Q CB -0.216 28.564 28.738 0.070 0.000 0.905 197 Q HN 0.811 nan 8.270 nan 0.000 0.429 198 H N 0.603 119.706 119.070 0.055 0.000 2.256 198 H HA 0.006 4.564 4.556 0.002 0.000 0.301 198 H C 1.881 177.256 175.328 0.077 0.000 1.062 198 H CA 1.677 57.764 56.048 0.065 0.000 1.283 198 H CB 0.116 29.916 29.762 0.064 0.000 1.379 198 H HN -0.013 nan 8.280 nan 0.000 0.493 199 R N -0.348 120.083 120.500 -0.115 0.000 2.105 199 R HA -0.114 4.228 4.340 0.002 0.000 0.239 199 R C 2.458 178.713 176.300 -0.075 0.000 1.135 199 R CA 1.806 57.805 56.100 -0.169 0.000 0.967 199 R CB -0.521 29.788 30.300 0.016 0.000 0.861 199 R HN 0.665 nan 8.270 nan 0.000 0.442 200 T N -0.665 113.886 114.554 -0.005 0.000 2.821 200 T HA -0.122 4.229 4.350 0.002 0.000 0.267 200 T C 1.855 176.578 174.700 0.039 0.000 1.046 200 T CA 1.106 63.219 62.100 0.021 0.000 1.139 200 T CB -0.060 68.830 68.868 0.037 0.000 0.871 200 T HN -0.001 nan 8.240 nan 0.000 0.454 201 K N 0.591 121.017 120.400 0.043 0.000 2.211 201 K HA 0.155 4.477 4.320 0.002 0.000 0.203 201 K C 1.971 178.686 176.600 0.192 0.000 1.050 201 K CA 0.568 56.934 56.287 0.130 0.000 0.945 201 K CB -0.466 32.100 32.500 0.110 0.000 0.732 201 K HN 0.338 nan 8.250 nan 0.000 0.451 202 I N 0.764 121.329 120.570 -0.007 0.000 2.277 202 I HA -0.129 4.043 4.170 0.002 0.000 0.243 202 I C 2.141 178.219 176.117 -0.065 0.000 1.094 202 I CA 1.086 62.344 61.300 -0.069 0.000 1.393 202 I CB -0.938 36.942 38.000 -0.199 0.000 1.078 202 I HN 0.299 nan 8.210 nan 0.000 0.417 203 E N 1.160 121.339 120.200 -0.036 0.000 2.204 203 E HA -0.261 4.090 4.350 0.002 0.000 0.195 203 E C 1.983 178.587 176.600 0.007 0.000 0.990 203 E CA 1.015 57.403 56.400 -0.020 0.000 0.821 203 E CB 0.043 29.742 29.700 -0.002 0.000 0.750 203 E HN 0.503 nan 8.360 nan 0.000 0.477 204 E N 0.204 120.443 120.200 0.066 0.000 2.110 204 E HA -0.169 4.183 4.350 0.002 0.000 0.193 204 E C 2.216 178.850 176.600 0.058 0.000 0.988 204 E CA 0.617 57.108 56.400 0.151 0.000 0.804 204 E CB -0.094 29.792 29.700 0.309 0.000 0.745 204 E HN 0.204 nan 8.360 nan 0.000 0.458 205 L N 1.023 122.108 121.223 -0.231 0.000 2.056 205 L HA -0.161 4.180 4.340 0.002 0.000 0.207 205 L C 2.520 179.234 176.870 -0.260 0.000 1.078 205 L CA 1.731 56.145 54.840 -0.710 0.000 0.749 205 L CB -0.584 40.910 42.059 -0.942 0.000 0.901 205 L HN 0.147 nan 8.230 nan 0.000 0.433 206 R N -0.391 120.020 120.500 -0.149 0.000 2.081 206 R HA -0.198 4.143 4.340 0.002 0.000 0.235 206 R C 2.350 178.643 176.300 -0.013 0.000 1.131 206 R CA 1.740 57.790 56.100 -0.083 0.000 0.960 206 R CB -0.111 30.151 30.300 -0.062 0.000 0.856 206 R HN 0.503 nan 8.270 nan 0.000 0.436 207 Q N -0.908 118.907 119.800 0.026 0.000 2.077 207 Q HA -0.281 4.061 4.340 0.002 0.000 0.206 207 Q C 2.100 178.183 176.000 0.138 0.000 0.989 207 Q CA 2.082 57.927 55.803 0.069 0.000 0.853 207 Q CB -0.395 28.391 28.738 0.079 0.000 0.907 207 Q HN 0.612 nan 8.270 nan 0.000 0.418 208 H N -0.051 119.049 119.070 0.049 0.000 2.319 208 H HA -0.171 4.386 4.556 0.002 0.000 0.299 208 H C 1.873 177.353 175.328 0.253 0.000 1.092 208 H CA 1.182 57.311 56.048 0.135 0.000 1.302 208 H CB 0.176 29.973 29.762 0.060 0.000 1.373 208 H HN 0.168 nan 8.280 nan 0.000 0.497 209 L N 0.677 121.851 121.223 -0.082 0.000 2.201 209 L HA -0.113 4.229 4.340 0.002 0.000 0.212 209 L C 2.397 179.349 176.870 0.137 0.000 1.105 209 L CA 0.703 55.477 54.840 -0.109 0.000 0.775 209 L CB -0.662 41.288 42.059 -0.181 0.000 0.913 209 L HN 0.328 nan 8.230 nan 0.000 0.440 210 L N 0.150 121.443 121.223 0.117 0.000 2.240 210 L HA -0.075 4.266 4.340 0.002 0.000 0.211 210 L C 2.257 179.198 176.870 0.118 0.000 1.106 210 L CA 1.071 55.972 54.840 0.102 0.000 0.793 210 L CB -0.542 41.545 42.059 0.047 0.000 0.927 210 L HN 0.383 nan 8.230 nan 0.000 0.446 211 R N -2.828 117.736 120.500 0.107 0.000 2.526 211 R HA -0.036 4.305 4.340 0.002 0.000 0.223 211 R C 0.347 176.443 176.300 -0.340 0.000 1.250 211 R CA 0.682 56.717 56.100 -0.108 0.000 1.227 211 R CB -0.659 29.534 30.300 -0.178 0.000 1.109 211 R HN 0.382 nan 8.270 nan 0.000 0.499 212 W N -0.800 120.505 121.300 0.009 0.000 4.853 212 W HA 0.397 5.058 4.660 0.002 0.000 0.186 212 W C 0.394 176.946 176.519 0.056 0.000 1.039 212 W CA 0.306 57.668 57.345 0.029 0.000 1.894 212 W CB 0.599 30.066 29.460 0.013 0.000 0.673 212 W HN 0.145 nan 8.180 nan 0.000 1.004 213 G N 1.452 110.438 108.800 0.309 0.000 2.823 213 G HA2 0.337 4.299 3.960 0.002 0.000 0.235 213 G HA3 0.337 4.299 3.960 0.002 0.000 0.235 213 G C -1.497 173.478 174.900 0.125 0.000 3.696 213 G CA -0.865 44.358 45.100 0.204 0.000 0.652 213 G HN 0.032 nan 8.290 nan 0.000 0.431 214 L N 0.610 121.871 121.223 0.063 0.000 2.591 214 L HA 0.826 5.168 4.340 0.002 0.000 0.257 214 L C 0.043 176.896 176.870 -0.028 0.000 0.935 214 L CA -0.725 54.109 54.840 -0.011 0.000 0.873 214 L CB 2.715 44.746 42.059 -0.045 0.000 1.397 214 L HN 0.554 nan 8.230 nan 0.000 0.414 233 E N 6.017 126.481 120.200 0.440 0.000 2.267 233 E HA 0.324 4.676 4.350 0.002 0.000 0.241 233 E C -1.017 175.479 176.600 -0.173 0.000 0.950 233 E CA -0.522 55.935 56.400 0.097 0.000 0.776 233 E CB 0.959 30.763 29.700 0.173 0.000 1.207 233 E HN 0.425 nan 8.360 nan 0.000 0.436 234 L N 1.159 122.156 121.223 -0.377 0.000 2.421 234 L HA 0.286 4.627 4.340 0.002 0.000 0.263 234 L C 0.246 176.780 176.870 -0.560 0.000 1.122 234 L CA -0.264 54.374 54.840 -0.336 0.000 0.804 234 L CB 0.347 42.293 42.059 -0.188 0.000 1.150 234 L HN 0.342 nan 8.230 nan 0.000 0.457 235 H N 0.199 119.241 119.070 -0.046 0.000 2.429 235 H HA 0.228 4.785 4.556 0.002 0.000 0.231 235 H C -1.995 172.999 175.328 -0.556 0.000 1.416 235 H CA -1.103 54.827 56.048 -0.198 0.000 1.443 235 H CB 0.569 30.291 29.762 -0.066 0.000 1.591 235 H HN 0.419 nan 8.280 nan 0.000 0.507 236 P HA -0.244 nan 4.420 nan 0.000 0.217 236 P C 1.458 178.175 177.300 -0.973 0.000 1.151 236 P CA 1.564 63.655 63.100 -1.681 0.000 0.849 236 P CB 0.308 31.313 31.700 -1.158 0.000 0.787 237 D N 0.333 120.443 120.400 -0.483 0.000 2.350 237 D HA -0.167 4.474 4.640 0.002 0.000 0.216 237 D C 1.461 177.674 176.300 -0.145 0.000 0.968 237 D CA 1.024 54.874 54.000 -0.250 0.000 0.894 237 D CB -0.514 40.193 40.800 -0.156 0.000 0.909 237 D HN 0.331 nan 8.370 nan 0.000 0.520 238 K N -0.877 119.435 120.400 -0.147 0.000 2.314 238 K HA -0.004 4.318 4.320 0.002 0.000 0.198 238 K C 0.295 177.015 176.600 0.200 0.000 1.045 238 K CA -0.375 55.934 56.287 0.036 0.000 0.988 238 K CB -0.321 32.240 32.500 0.100 0.000 0.783 238 K HN -0.127 nan 8.250 nan 0.000 0.484 239 W N 4.855 126.182 121.300 0.046 0.000 2.611 239 W HA 0.045 4.707 4.660 0.003 0.000 0.444 239 W C -0.168 176.379 176.519 0.047 0.000 1.103 239 W CA -0.367 57.011 57.345 0.054 0.000 1.638 239 W CB -1.547 27.937 29.460 0.041 0.000 1.697 239 W HN 0.073 nan 8.180 nan 0.000 0.409 240 T N -1.125 113.580 114.554 0.251 0.000 2.884 240 T HA 0.380 4.731 4.350 0.002 0.000 0.298 240 T C 0.065 174.850 174.700 0.142 0.000 0.998 240 T CA -0.872 61.324 62.100 0.159 0.000 1.124 240 T CB 1.609 70.548 68.868 0.118 0.000 0.931 240 T HN -0.003 nan 8.240 nan 0.000 0.531 241 V N 4.574 124.561 119.914 0.121 0.000 2.470 241 V HA 0.202 4.324 4.120 0.002 0.000 0.276 241 V C 0.338 176.488 176.094 0.094 0.000 1.040 241 V CA -0.296 62.070 62.300 0.111 0.000 1.008 241 V CB 0.523 32.412 31.823 0.110 0.000 0.990 241 V HN 0.836 nan 8.190 nan 0.000 0.477 242 Q N 6.532 126.383 119.800 0.085 0.000 2.312 242 Q HA 0.533 4.874 4.340 0.002 0.000 0.263 242 Q C -2.289 173.760 176.000 0.081 0.000 0.995 242 Q CA -1.597 54.248 55.803 0.071 0.000 0.853 242 Q CB 2.743 31.515 28.738 0.055 0.000 1.300 242 Q HN 0.525 nan 8.270 nan 0.000 0.448 243 P HA 0.431 nan 4.420 nan 0.000 0.301 243 P C -0.545 176.757 177.300 0.003 0.000 1.309 243 P CA -0.605 62.532 63.100 0.061 0.000 0.782 243 P CB 1.326 33.050 31.700 0.039 0.000 1.282 244 I N 0.987 121.535 120.570 -0.036 0.000 2.336 244 I HA 0.187 4.359 4.170 0.002 0.000 0.292 244 I C 0.353 176.375 176.117 -0.158 0.000 0.991 244 I CA -0.766 60.418 61.300 -0.193 0.000 1.227 244 I CB 1.153 38.933 38.000 -0.367 0.000 1.366 244 I HN 0.125 nan 8.210 nan 0.000 0.466 245 V N 6.065 125.883 119.914 -0.160 0.000 2.398 245 V HA 0.582 4.703 4.120 0.002 0.000 0.286 245 V C -0.172 175.853 176.094 -0.115 0.000 1.026 245 V CA -0.791 61.449 62.300 -0.100 0.000 0.868 245 V CB 1.503 33.288 31.823 -0.064 0.000 0.982 245 V HN 0.481 nan 8.190 nan 0.000 0.443 246 L N 6.141 127.328 121.223 -0.060 0.000 2.379 246 L HA 0.548 4.889 4.340 0.002 0.000 0.269 246 L C -1.725 175.177 176.870 0.053 0.000 1.084 246 L CA -1.755 53.079 54.840 -0.009 0.000 0.802 246 L CB 1.467 43.551 42.059 0.041 0.000 1.175 246 L HN 0.520 nan 8.230 nan 0.000 0.448 247 P HA 0.132 nan 4.420 nan 0.000 0.269 247 P C -1.162 176.275 177.300 0.229 0.000 1.209 247 P CA -0.164 62.984 63.100 0.080 0.000 0.776 247 P CB 0.862 32.573 31.700 0.018 0.000 0.876 248 E N 1.192 121.429 120.200 0.062 0.000 2.288 248 E HA 0.546 4.897 4.350 0.002 0.000 0.268 248 E C -0.594 175.906 176.600 -0.167 0.000 0.885 248 E CA -0.786 55.713 56.400 0.166 0.000 0.767 248 E CB 2.422 32.193 29.700 0.118 0.000 1.220 248 E HN 0.321 nan 8.360 nan 0.000 0.427 249 K N 0.953 121.228 120.400 -0.208 0.000 2.532 249 K HA 0.173 4.494 4.320 0.002 0.000 0.265 249 K C -0.531 175.957 176.600 -0.187 0.000 0.948 249 K CA -0.619 55.375 56.287 -0.490 0.000 0.842 249 K CB 1.736 33.465 32.500 -1.285 0.000 1.392 249 K HN 0.333 nan 8.250 nan 0.000 0.436 250 D N 0.187 120.490 120.400 -0.161 0.000 2.078 250 D HA -0.047 4.594 4.640 0.002 0.000 0.193 250 D C -0.065 176.237 176.300 0.005 0.000 0.990 250 D CA 1.487 55.459 54.000 -0.046 0.000 0.827 250 D CB 0.263 41.029 40.800 -0.056 0.000 0.975 250 D HN 0.216 nan 8.370 nan 0.000 0.451 251 S N -1.508 114.148 115.700 -0.072 0.000 2.568 251 S HA 0.519 4.990 4.470 0.002 0.000 0.293 251 S C -1.377 173.162 174.600 -0.102 0.000 1.089 251 S CA -0.768 57.451 58.200 0.031 0.000 0.945 251 S CB 1.398 64.611 63.200 0.022 0.000 1.077 251 S HN 0.111 nan 8.310 nan 0.000 0.485 252 W N 1.677 122.974 121.300 -0.005 0.000 2.573 252 W HA 0.510 5.172 4.660 0.003 0.000 0.326 252 W C 0.522 177.039 176.519 -0.003 0.000 1.049 252 W CA -0.564 56.779 57.345 -0.004 0.000 1.220 252 W CB 1.124 30.582 29.460 -0.003 0.000 1.373 252 W HN 0.655 nan 8.180 nan 0.000 0.507 253 T N -1.765 112.883 114.554 0.157 0.000 2.927 253 T HA 0.301 4.652 4.350 0.002 0.000 0.281 253 T C 0.884 175.656 174.700 0.121 0.000 0.998 253 T CA -0.776 61.385 62.100 0.102 0.000 1.019 253 T CB 1.279 70.172 68.868 0.041 0.000 1.061 253 T HN 0.217 nan 8.240 nan 0.000 0.518 254 V N 1.645 121.607 119.914 0.081 0.000 2.278 254 V HA -0.256 3.865 4.120 0.002 0.000 0.251 254 V C 2.849 178.986 176.094 0.073 0.000 1.062 254 V CA 2.429 64.770 62.300 0.069 0.000 1.038 254 V CB -1.142 30.708 31.823 0.044 0.000 0.646 254 V HN 1.030 nan 8.190 nan 0.000 0.447 255 N N -0.288 118.448 118.700 0.061 0.000 2.084 255 N HA -0.222 4.519 4.740 0.002 0.000 0.190 255 N C 1.620 177.179 175.510 0.081 0.000 1.030 255 N CA 1.694 54.777 53.050 0.055 0.000 0.849 255 N CB -0.108 38.398 38.487 0.032 0.000 1.012 255 N HN 0.472 nan 8.380 nan 0.000 0.423 256 D N 1.081 121.542 120.400 0.102 0.000 2.116 256 D HA -0.159 4.482 4.640 0.002 0.000 0.193 256 D C 2.086 178.541 176.300 0.259 0.000 0.998 256 D CA 0.924 55.018 54.000 0.157 0.000 0.836 256 D CB -0.320 40.580 40.800 0.165 0.000 0.951 256 D HN 0.416 nan 8.370 nan 0.000 0.449 257 I N 0.815 121.541 120.570 0.259 0.000 2.179 257 I HA -0.283 3.888 4.170 0.002 0.000 0.242 257 I C 2.564 178.747 176.117 0.110 0.000 1.088 257 I CA 1.071 62.478 61.300 0.177 0.000 1.357 257 I CB -0.274 37.787 38.000 0.103 0.000 1.051 257 I HN 0.004 nan 8.210 nan 0.000 0.409 258 Q N 0.603 120.457 119.800 0.090 0.000 2.135 258 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 258 Q C 2.241 178.285 176.000 0.073 0.000 0.981 258 Q CA 1.451 57.293 55.803 0.066 0.000 0.856 258 Q CB -0.089 28.680 28.738 0.052 0.000 0.902 258 Q HN 0.470 nan 8.270 nan 0.000 0.425 259 K N 0.183 120.635 120.400 0.086 0.000 2.057 259 K HA -0.137 4.185 4.320 0.002 0.000 0.206 259 K C 2.067 178.733 176.600 0.110 0.000 1.050 259 K CA 0.733 57.070 56.287 0.083 0.000 0.935 259 K CB -0.161 32.382 32.500 0.071 0.000 0.715 259 K HN 0.095 nan 8.250 nan 0.000 0.439 260 L N 1.184 122.493 121.223 0.143 0.000 2.056 260 L HA -0.131 4.211 4.340 0.002 0.000 0.207 260 L C 2.092 179.037 176.870 0.124 0.000 1.078 260 L CA 1.398 56.332 54.840 0.157 0.000 0.749 260 L CB -0.444 41.729 42.059 0.190 0.000 0.901 260 L HN -0.122 nan 8.230 nan 0.000 0.433 261 V N -0.080 119.885 119.914 0.085 0.000 2.407 261 V HA -0.228 3.893 4.120 0.002 0.000 0.248 261 V C 2.550 178.689 176.094 0.076 0.000 1.055 261 V CA 1.790 64.126 62.300 0.060 0.000 1.049 261 V CB -1.365 30.479 31.823 0.035 0.000 0.662 261 V HN 0.635 nan 8.190 nan 0.000 0.455 262 G N -0.481 108.372 108.800 0.088 0.000 2.408 262 G HA2 -0.222 3.739 3.960 0.002 0.000 0.217 262 G HA3 -0.222 3.739 3.960 0.002 0.000 0.217 262 G C 1.665 176.653 174.900 0.146 0.000 1.150 262 G CA 0.767 45.924 45.100 0.096 0.000 0.776 262 G HN 0.484 nan 8.290 nan 0.000 0.542 263 K N -0.131 120.383 120.400 0.189 0.000 2.062 263 K HA 0.181 4.503 4.320 0.002 0.000 0.205 263 K C 2.434 179.212 176.600 0.297 0.000 1.051 263 K CA 0.494 56.976 56.287 0.325 0.000 0.941 263 K CB -0.242 32.515 32.500 0.428 0.000 0.719 263 K HN 0.222 nan 8.250 nan 0.000 0.440 264 L N 1.017 122.377 121.223 0.227 0.000 2.093 264 L HA -0.182 4.159 4.340 0.002 0.000 0.208 264 L C 2.248 179.107 176.870 -0.019 0.000 1.085 264 L CA 1.012 55.918 54.840 0.111 0.000 0.755 264 L CB -0.454 41.668 42.059 0.104 0.000 0.904 264 L HN 0.251 nan 8.230 nan 0.000 0.435 265 N N -0.360 118.352 118.700 0.019 0.000 2.142 265 N HA -0.258 4.484 4.740 0.002 0.000 0.186 265 N C 1.671 177.135 175.510 -0.077 0.000 1.023 265 N CA 1.332 54.366 53.050 -0.028 0.000 0.852 265 N CB -0.270 38.224 38.487 0.011 0.000 0.998 265 N HN 0.342 nan 8.380 nan 0.000 0.424 266 W N 1.306 122.494 121.300 -0.186 0.000 2.354 266 W HA -0.048 4.614 4.660 0.003 0.000 0.315 266 W C 2.176 178.437 176.519 -0.430 0.000 1.206 266 W CA 2.332 59.532 57.345 -0.242 0.000 1.290 266 W CB -0.788 28.569 29.460 -0.172 0.000 1.152 266 W HN 0.122 nan 8.180 nan 0.000 0.489 267 A N 0.183 122.699 122.820 -0.507 0.000 2.186 267 A HA -0.211 4.111 4.320 0.002 0.000 0.219 267 A C 1.956 179.161 177.584 -0.633 0.000 1.159 267 A CA 2.133 53.608 52.037 -0.936 0.000 0.680 267 A CB -1.425 16.766 19.000 -1.348 0.000 0.787 267 A HN 0.439 nan 8.150 nan 0.000 0.467 268 S N -0.769 114.648 115.700 -0.472 0.000 2.555 268 S HA -0.138 4.334 4.470 0.002 0.000 0.230 268 S C 1.531 175.843 174.600 -0.480 0.000 0.978 268 S CA 0.980 58.969 58.200 -0.351 0.000 0.934 268 S CB -0.334 62.724 63.200 -0.237 0.000 0.766 268 S HN 0.722 nan 8.310 nan 0.000 0.533 269 Q N 0.312 119.648 119.800 -0.773 0.000 2.369 269 Q HA 0.216 4.557 4.340 0.002 0.000 0.206 269 Q C 1.669 177.082 176.000 -0.977 0.000 0.963 269 Q CA 1.005 56.201 55.803 -1.013 0.000 0.894 269 Q CB -0.221 27.497 28.738 -1.700 0.000 0.965 269 Q HN 0.664 nan 8.270 nan 0.000 0.475 270 I N -1.671 118.422 120.570 -0.794 0.000 2.681 270 I HA -0.047 4.124 4.170 0.002 0.000 0.247 270 I C -0.057 175.727 176.117 -0.554 0.000 1.091 270 I CA 0.372 61.297 61.300 -0.624 0.000 1.442 270 I CB 0.405 38.062 38.000 -0.573 0.000 1.219 270 I HN 0.008 nan 8.210 nan 0.000 0.451 271 Y N 1.335 121.468 120.300 -0.279 0.000 2.587 271 Y HA 0.314 4.865 4.550 0.002 0.000 0.328 271 Y C -1.954 173.827 175.900 -0.199 0.000 0.980 271 Y CA -2.193 55.792 58.100 -0.190 0.000 1.272 271 Y CB 0.340 38.720 38.460 -0.133 0.000 1.094 271 Y HN -0.041 nan 8.280 nan 0.000 0.503 272 P HA -0.111 nan 4.420 nan 0.000 0.228 272 P C 1.474 178.741 177.300 -0.055 0.000 1.151 272 P CA 1.223 64.265 63.100 -0.097 0.000 0.770 272 P CB 0.400 32.038 31.700 -0.104 0.000 0.786 273 G N -1.085 107.706 108.800 -0.016 0.000 2.920 273 G HA2 0.014 3.975 3.960 0.002 0.000 0.208 273 G HA3 0.014 3.975 3.960 0.002 0.000 0.208 273 G C 0.520 175.402 174.900 -0.030 0.000 1.159 273 G CA -0.187 44.902 45.100 -0.019 0.000 0.784 273 G HN 0.239 nan 8.290 nan 0.000 0.535 274 I N 1.023 121.573 120.570 -0.033 0.000 2.471 274 I HA 0.190 4.361 4.170 0.002 0.000 0.286 274 I C -0.068 176.018 176.117 -0.051 0.000 1.079 274 I CA 0.284 61.558 61.300 -0.043 0.000 1.398 274 I CB 1.000 38.972 38.000 -0.046 0.000 1.403 274 I HN -0.056 nan 8.210 nan 0.000 0.530 275 K N 4.781 125.155 120.400 -0.043 0.000 2.371 275 K HA 0.419 4.740 4.320 0.002 0.000 0.251 275 K C 0.112 176.688 176.600 -0.040 0.000 0.934 275 K CA -0.546 55.715 56.287 -0.044 0.000 0.798 275 K CB 2.596 35.071 32.500 -0.042 0.000 1.204 275 K HN 0.467 nan 8.250 nan 0.000 0.427 276 V N 0.202 120.093 119.914 -0.038 0.000 3.253 276 V HA 0.097 4.218 4.120 0.002 0.000 0.320 276 V C 1.529 177.601 176.094 -0.036 0.000 1.442 276 V CA -0.183 62.096 62.300 -0.035 0.000 1.097 276 V CB -0.098 31.713 31.823 -0.021 0.000 1.008 276 V HN 0.764 nan 8.190 nan 0.000 0.463 277 R N 0.238 120.715 120.500 -0.037 0.000 2.070 277 R HA -0.127 4.215 4.340 0.002 0.000 0.233 277 R C 1.755 178.032 176.300 -0.037 0.000 1.137 277 R CA 1.745 57.825 56.100 -0.034 0.000 0.945 277 R CB -0.899 29.382 30.300 -0.032 0.000 0.845 277 R HN 0.482 nan 8.270 nan 0.000 0.430 278 Q N 1.185 120.958 119.800 -0.044 0.000 2.096 278 Q HA -0.007 4.335 4.340 0.002 0.000 0.204 278 Q C 2.505 178.470 176.000 -0.058 0.000 0.982 278 Q CA 1.377 57.151 55.803 -0.050 0.000 0.850 278 Q CB -0.486 28.218 28.738 -0.057 0.000 0.901 278 Q HN 0.418 nan 8.270 nan 0.000 0.422 279 L N -0.583 120.598 121.223 -0.070 0.000 2.017 279 L HA -0.234 4.108 4.340 0.002 0.000 0.208 279 L C 2.665 179.506 176.870 -0.047 0.000 1.073 279 L CA 1.035 55.827 54.840 -0.079 0.000 0.745 279 L CB -0.603 41.403 42.059 -0.089 0.000 0.894 279 L HN 0.243 nan 8.230 nan 0.000 0.432 280 C N 0.072 119.351 119.300 -0.034 0.000 2.403 280 C HA -0.188 4.274 4.460 0.002 0.000 0.282 280 C C 2.763 177.742 174.990 -0.018 0.000 1.297 280 C CA 0.958 59.964 59.018 -0.020 0.000 1.785 280 C CB -0.821 26.908 27.740 -0.017 0.000 1.963 280 C HN 0.402 nan 8.230 nan 0.000 0.507 281 K N 0.222 120.608 120.400 -0.024 0.000 2.217 281 K HA -0.014 4.308 4.320 0.002 0.000 0.202 281 K C 1.573 178.163 176.600 -0.018 0.000 1.051 281 K CA 0.949 57.224 56.287 -0.020 0.000 0.952 281 K CB -0.171 32.315 32.500 -0.023 0.000 0.736 281 K HN 0.525 nan 8.250 nan 0.000 0.453 282 L N 0.521 121.730 121.223 -0.023 0.000 2.465 282 L HA -0.105 4.236 4.340 0.002 0.000 0.224 282 L C 1.173 178.042 176.870 -0.003 0.000 1.145 282 L CA 0.263 55.093 54.840 -0.017 0.000 0.834 282 L CB -0.096 41.944 42.059 -0.031 0.000 0.944 282 L HN 0.088 nan 8.230 nan 0.000 0.451 283 L N -0.238 120.984 121.223 -0.002 0.000 2.653 283 L HA 0.151 4.492 4.340 0.002 0.000 0.231 283 L C 1.049 177.922 176.870 0.005 0.000 1.153 283 L CA 0.502 55.346 54.840 0.007 0.000 0.933 283 L CB -0.731 41.334 42.059 0.010 0.000 1.175 283 L HN 0.144 nan 8.230 nan 0.000 0.473 284 R N 0.863 121.364 120.500 0.001 0.000 2.248 284 R HA 0.490 4.831 4.340 0.002 0.000 0.328 284 R C -0.227 176.076 176.300 0.004 0.000 1.067 284 R CA 0.618 56.718 56.100 0.001 0.000 0.924 284 R CB 0.162 30.461 30.300 -0.003 0.000 1.013 284 R HN 0.253 nan 8.270 nan 0.000 0.454 285 G N 2.166 110.969 108.800 0.005 0.000 2.535 285 G HA2 -0.159 3.803 3.960 0.002 0.000 0.662 285 G HA3 -0.159 3.803 3.960 0.002 0.000 0.662 285 G C -0.473 174.432 174.900 0.008 0.000 1.417 285 G CA -0.438 44.666 45.100 0.006 0.000 0.866 285 G HN 0.550 nan 8.290 nan 0.000 0.647 286 T N -0.411 114.148 114.554 0.008 0.000 3.855 286 T HA 0.530 4.881 4.350 0.002 0.000 0.306 286 T C 0.524 175.230 174.700 0.010 0.000 1.575 286 T CA -0.288 61.817 62.100 0.009 0.000 1.214 286 T CB -0.013 68.859 68.868 0.007 0.000 1.262 286 T HN 0.770 nan 8.240 nan 0.000 0.883 287 K N 0.592 120.999 120.400 0.012 0.000 2.139 287 K HA 0.764 5.086 4.320 0.002 0.000 0.243 287 K C -0.030 176.579 176.600 0.014 0.000 0.983 287 K CA -1.105 55.189 56.287 0.013 0.000 0.890 287 K CB 1.250 33.759 32.500 0.015 0.000 1.090 287 K HN 0.243 nan 8.250 nan 0.000 0.445 288 A N 1.769 124.597 122.820 0.013 0.000 2.546 288 A HA 0.033 4.355 4.320 0.002 0.000 0.243 288 A C 1.074 178.668 177.584 0.016 0.000 1.063 288 A CA -0.441 51.603 52.037 0.013 0.000 0.757 288 A CB -0.158 18.848 19.000 0.010 0.000 0.991 288 A HN 0.711 nan 8.150 nan 0.000 0.503 289 L N 2.640 123.872 121.223 0.016 0.000 2.129 289 L HA -0.187 4.154 4.340 0.002 0.000 0.212 289 L C 2.809 179.691 176.870 0.020 0.000 1.087 289 L CA 2.773 57.624 54.840 0.019 0.000 0.757 289 L CB -0.595 41.473 42.059 0.015 0.000 0.896 289 L HN 0.949 nan 8.230 nan 0.000 0.434 290 T N -4.241 110.321 114.554 0.014 0.000 3.100 290 T HA -0.016 4.335 4.350 0.002 0.000 0.253 290 T C 0.845 175.554 174.700 0.015 0.000 1.118 290 T CA -0.251 61.855 62.100 0.010 0.000 1.058 290 T CB -0.335 68.534 68.868 0.003 0.000 0.953 290 T HN 0.318 nan 8.240 nan 0.000 0.515 291 E N 1.402 121.614 120.200 0.020 0.000 2.414 291 E HA 0.257 4.608 4.350 0.002 0.000 0.263 291 E C -0.767 175.855 176.600 0.036 0.000 1.000 291 E CA -0.427 55.988 56.400 0.024 0.000 0.914 291 E CB 0.671 30.385 29.700 0.023 0.000 0.948 291 E HN 0.115 nan 8.360 nan 0.000 0.444 292 V N 6.017 125.953 119.914 0.037 0.000 2.498 292 V HA 0.183 4.304 4.120 0.002 0.000 0.279 292 V C 0.215 176.347 176.094 0.064 0.000 1.048 292 V CA -0.466 61.867 62.300 0.056 0.000 0.967 292 V CB 0.999 32.851 31.823 0.047 0.000 0.988 292 V HN 0.571 nan 8.190 nan 0.000 0.473 293 I N 6.715 127.340 120.570 0.091 0.000 2.404 293 I HA 0.415 4.586 4.170 0.002 0.000 0.293 293 I C -2.211 173.953 176.117 0.079 0.000 0.992 293 I CA -2.283 59.060 61.300 0.072 0.000 1.149 293 I CB 1.966 40.002 38.000 0.061 0.000 1.315 293 I HN 0.448 nan 8.210 nan 0.000 0.446 294 P HA 0.280 nan 4.420 nan 0.000 0.282 294 P C -0.670 176.634 177.300 0.007 0.000 1.262 294 P CA -0.405 62.719 63.100 0.039 0.000 0.773 294 P CB 1.159 32.874 31.700 0.026 0.000 0.879 295 L N 3.763 124.980 121.223 -0.010 0.000 2.361 295 L HA 0.146 4.487 4.340 0.002 0.000 0.278 295 L C 1.478 178.314 176.870 -0.055 0.000 1.113 295 L CA -0.136 54.660 54.840 -0.075 0.000 0.849 295 L CB 0.513 42.475 42.059 -0.162 0.000 1.155 295 L HN 0.476 nan 8.230 nan 0.000 0.452 296 T N -0.902 113.617 114.554 -0.059 0.000 2.918 296 T HA 0.070 4.422 4.350 0.002 0.000 0.302 296 T C 1.112 175.780 174.700 -0.052 0.000 1.045 296 T CA -0.761 61.312 62.100 -0.044 0.000 1.114 296 T CB 1.330 70.174 68.868 -0.041 0.000 0.965 296 T HN 0.541 nan 8.240 nan 0.000 0.540 297 E N 1.867 122.045 120.200 -0.038 0.000 2.130 297 E HA -0.201 4.150 4.350 0.002 0.000 0.196 297 E C 1.861 178.434 176.600 -0.045 0.000 0.998 297 E CA 1.648 58.026 56.400 -0.037 0.000 0.806 297 E CB -0.076 29.609 29.700 -0.025 0.000 0.738 297 E HN 0.811 nan 8.360 nan 0.000 0.459 298 E N 0.969 121.143 120.200 -0.043 0.000 2.077 298 E HA -0.135 4.216 4.350 0.002 0.000 0.193 298 E C 1.949 178.513 176.600 -0.061 0.000 0.989 298 E CA 1.267 57.640 56.400 -0.044 0.000 0.800 298 E CB -0.285 29.393 29.700 -0.038 0.000 0.746 298 E HN 0.287 nan 8.360 nan 0.000 0.452 299 A N 0.870 123.645 122.820 -0.076 0.000 1.930 299 A HA -0.189 4.132 4.320 0.002 0.000 0.217 299 A C 1.923 179.428 177.584 -0.132 0.000 1.175 299 A CA 1.405 53.378 52.037 -0.107 0.000 0.627 299 A CB -0.349 18.576 19.000 -0.126 0.000 0.815 299 A HN 0.178 nan 8.150 nan 0.000 0.443 300 E N -0.757 119.372 120.200 -0.118 0.000 2.150 300 E HA -0.130 4.222 4.350 0.002 0.000 0.193 300 E C 1.889 178.441 176.600 -0.081 0.000 0.985 300 E CA 1.020 57.351 56.400 -0.115 0.000 0.814 300 E CB -0.168 29.482 29.700 -0.083 0.000 0.752 300 E HN 0.558 nan 8.360 nan 0.000 0.466 301 L N 1.361 122.546 121.223 -0.064 0.000 2.044 301 L HA -0.143 4.198 4.340 0.002 0.000 0.205 301 L C 2.231 179.068 176.870 -0.054 0.000 1.075 301 L CA 1.880 56.691 54.840 -0.048 0.000 0.747 301 L CB -0.338 41.698 42.059 -0.038 0.000 0.903 301 L HN 0.033 nan 8.230 nan 0.000 0.435 302 E N -0.341 119.821 120.200 -0.063 0.000 2.086 302 E HA -0.294 4.057 4.350 0.002 0.000 0.200 302 E C 2.295 178.854 176.600 -0.069 0.000 1.012 302 E CA 2.058 58.420 56.400 -0.063 0.000 0.812 302 E CB -0.348 29.310 29.700 -0.070 0.000 0.743 302 E HN 0.618 nan 8.360 nan 0.000 0.453 303 L N 0.027 121.194 121.223 -0.093 0.000 2.046 303 L HA -0.158 4.183 4.340 0.002 0.000 0.208 303 L C 2.518 179.352 176.870 -0.060 0.000 1.077 303 L CA 1.272 56.054 54.840 -0.095 0.000 0.747 303 L CB -0.348 41.613 42.059 -0.163 0.000 0.896 303 L HN 0.265 nan 8.230 nan 0.000 0.432 304 A N -0.720 122.068 122.820 -0.053 0.000 1.933 304 A HA -0.236 4.085 4.320 0.002 0.000 0.218 304 A C 2.049 179.612 177.584 -0.034 0.000 1.175 304 A CA 1.628 53.644 52.037 -0.034 0.000 0.628 304 A CB -0.441 18.542 19.000 -0.029 0.000 0.814 304 A HN 0.518 nan 8.150 nan 0.000 0.444 305 E N -0.324 119.853 120.200 -0.039 0.000 2.274 305 E HA -0.125 4.227 4.350 0.002 0.000 0.194 305 E C 1.366 177.937 176.600 -0.048 0.000 0.996 305 E CA 0.683 57.060 56.400 -0.038 0.000 0.840 305 E CB -0.078 29.600 29.700 -0.036 0.000 0.772 305 E HN 0.547 nan 8.360 nan 0.000 0.491 306 N N 0.719 119.391 118.700 -0.047 0.000 2.207 306 N HA -0.049 4.692 4.740 0.002 0.000 0.182 306 N C 1.614 177.087 175.510 -0.061 0.000 1.020 306 N CA 0.696 53.716 53.050 -0.050 0.000 0.858 306 N CB -0.090 38.383 38.487 -0.023 0.000 0.991 306 N HN 0.113 nan 8.380 nan 0.000 0.427 307 R N 0.932 121.407 120.500 -0.042 0.000 2.096 307 R HA -0.037 4.304 4.340 0.002 0.000 0.235 307 R C 1.679 177.943 176.300 -0.060 0.000 1.127 307 R CA 0.857 56.933 56.100 -0.041 0.000 0.968 307 R CB -0.078 30.209 30.300 -0.020 0.000 0.861 307 R HN 0.217 nan 8.270 nan 0.000 0.440 308 E N 0.918 121.085 120.200 -0.055 0.000 2.077 308 E HA -0.152 4.199 4.350 0.002 0.000 0.193 308 E C 2.079 178.626 176.600 -0.088 0.000 0.989 308 E CA 1.099 57.468 56.400 -0.051 0.000 0.800 308 E CB -0.140 29.539 29.700 -0.034 0.000 0.746 308 E HN 0.369 nan 8.360 nan 0.000 0.452 309 I N 0.798 121.289 120.570 -0.131 0.000 2.179 309 I HA -0.273 3.898 4.170 0.002 0.000 0.242 309 I C 2.273 178.131 176.117 -0.431 0.000 1.088 309 I CA 0.976 62.139 61.300 -0.229 0.000 1.357 309 I CB -0.274 37.588 38.000 -0.230 0.000 1.051 309 I HN 0.037 nan 8.210 nan 0.000 0.409 310 L N 0.381 121.364 121.223 -0.400 0.000 2.551 310 L HA -0.111 4.231 4.340 0.002 0.000 0.228 310 L C 2.132 178.904 176.870 -0.163 0.000 1.153 310 L CA 0.658 55.267 54.840 -0.385 0.000 0.851 310 L CB -0.521 41.442 42.059 -0.159 0.000 0.959 310 L HN 0.174 nan 8.230 nan 0.000 0.451 311 K N 0.199 120.530 120.400 -0.114 0.000 2.442 311 K HA -0.028 4.294 4.320 0.002 0.000 0.198 311 K C 0.067 176.670 176.600 0.005 0.000 1.042 311 K CA 0.760 57.024 56.287 -0.037 0.000 0.958 311 K CB 0.219 32.706 32.500 -0.023 0.000 0.766 311 K HN 0.354 nan 8.250 nan 0.000 0.474 312 E N -0.939 119.267 120.200 0.011 0.000 2.413 312 E HA 0.249 4.601 4.350 0.002 0.000 0.277 312 E C -2.765 173.941 176.600 0.177 0.000 0.958 312 E CA -2.261 54.190 56.400 0.085 0.000 0.779 312 E CB 2.185 31.937 29.700 0.085 0.000 1.278 312 E HN -0.202 nan 8.360 nan 0.000 0.456 313 P HA -0.022 nan 4.420 nan 0.000 0.269 313 P C -0.654 176.736 177.300 0.149 0.000 1.209 313 P CA -0.250 62.977 63.100 0.212 0.000 0.776 313 P CB 0.486 32.272 31.700 0.143 0.000 0.876 314 V N 4.090 124.015 119.914 0.018 0.000 2.901 314 V HA -0.062 4.060 4.120 0.002 0.000 0.307 314 V C 0.443 176.490 176.094 -0.078 0.000 1.084 314 V CA 0.339 62.520 62.300 -0.198 0.000 1.184 314 V CB -0.319 31.198 31.823 -0.510 0.000 0.941 314 V HN 0.511 nan 8.190 nan 0.000 0.493 315 H N 3.877 122.930 119.070 -0.029 0.000 2.671 315 H HA 0.400 4.957 4.556 0.002 0.000 0.372 315 H C 1.315 176.582 175.328 -0.101 0.000 1.227 315 H CA 0.142 56.166 56.048 -0.041 0.000 1.426 315 H CB 0.522 30.288 29.762 0.006 0.000 1.480 315 H HN 1.103 nan 8.280 nan 0.000 0.611 316 G N 0.824 109.627 108.800 0.005 0.000 2.283 316 G HA2 -0.263 3.698 3.960 0.002 0.000 0.280 316 G HA3 -0.263 3.698 3.960 0.002 0.000 0.280 316 G C -0.251 174.456 174.900 -0.321 0.000 1.029 316 G CA 0.430 45.461 45.100 -0.115 0.000 0.840 316 G HN 0.406 nan 8.290 nan 0.000 0.505 317 V N 0.430 120.051 119.914 -0.488 0.000 2.350 317 V HA 0.671 4.792 4.120 0.002 0.000 0.276 317 V C -0.121 175.632 176.094 -0.569 0.000 1.028 317 V CA -0.730 61.369 62.300 -0.336 0.000 0.860 317 V CB 0.601 32.337 31.823 -0.145 0.000 0.990 317 V HN 0.271 nan 8.190 nan 0.000 0.453 318 Y N 2.879 123.233 120.300 0.089 0.000 2.576 318 Y HA 0.501 5.053 4.550 0.002 0.000 0.346 318 Y C -0.380 175.598 175.900 0.130 0.000 1.018 318 Y CA -1.362 56.813 58.100 0.124 0.000 1.050 318 Y CB 1.652 40.164 38.460 0.087 0.000 1.280 318 Y HN 0.642 nan 8.280 nan 0.000 0.474 319 Y N 2.171 122.594 120.300 0.205 0.000 2.336 319 Y HA 0.327 4.879 4.550 0.002 0.000 0.335 319 Y C -0.472 175.445 175.900 0.028 0.000 1.046 319 Y CA -0.641 57.480 58.100 0.034 0.000 1.198 319 Y CB 0.675 39.163 38.460 0.045 0.000 1.182 319 Y HN 0.564 nan 8.280 nan 0.000 0.502 320 D N 8.810 128.862 120.400 -0.580 0.000 2.443 320 D HA 0.276 4.917 4.640 0.002 0.000 0.221 320 D C -2.064 173.673 176.300 -0.938 0.000 1.097 320 D CA -2.618 51.049 54.000 -0.556 0.000 0.865 320 D CB 1.809 42.445 40.800 -0.275 0.000 1.034 320 D HN 0.394 nan 8.370 nan 0.000 0.511 321 P HA -0.140 nan 4.420 nan 0.000 0.218 321 P C 0.679 177.802 177.300 -0.296 0.000 1.146 321 P CA 1.054 63.793 63.100 -0.602 0.000 0.820 321 P CB 0.151 31.731 31.700 -0.201 0.000 0.778 322 S N -2.336 113.212 115.700 -0.254 0.000 2.677 322 S HA 0.239 4.710 4.470 0.002 0.000 0.246 322 S C 0.315 174.828 174.600 -0.145 0.000 1.005 322 S CA -0.343 57.768 58.200 -0.148 0.000 1.062 322 S CB -0.679 62.453 63.200 -0.114 0.000 0.778 322 S HN -0.001 nan 8.310 nan 0.000 0.461 323 K N 0.754 121.041 120.400 -0.189 0.000 2.527 323 K HA 0.281 4.603 4.320 0.002 0.000 0.260 323 K C -1.673 174.840 176.600 -0.145 0.000 0.937 323 K CA -0.614 55.580 56.287 -0.156 0.000 0.826 323 K CB 1.366 33.757 32.500 -0.180 0.000 1.359 323 K HN 0.111 nan 8.250 nan 0.000 0.434 324 D N 2.407 122.737 120.400 -0.116 0.000 2.414 324 D HA 0.036 4.677 4.640 0.002 0.000 0.242 324 D C -0.217 175.974 176.300 -0.181 0.000 1.129 324 D CA -0.017 53.910 54.000 -0.121 0.000 0.885 324 D CB 0.770 41.504 40.800 -0.110 0.000 1.198 324 D HN 0.162 nan 8.370 nan 0.000 0.437 325 L N 2.799 123.902 121.223 -0.200 0.000 2.334 325 L HA 0.438 4.779 4.340 0.002 0.000 0.277 325 L C -0.239 176.400 176.870 -0.386 0.000 1.075 325 L CA -0.288 54.369 54.840 -0.306 0.000 0.804 325 L CB 0.859 42.748 42.059 -0.283 0.000 1.174 325 L HN 0.282 nan 8.230 nan 0.000 0.438 326 I N 2.998 123.234 120.570 -0.557 0.000 2.730 326 I HA 0.679 4.851 4.170 0.002 0.000 0.298 326 I C -0.652 175.008 176.117 -0.760 0.000 1.089 326 I CA -0.897 59.991 61.300 -0.686 0.000 1.041 326 I CB 2.059 39.528 38.000 -0.886 0.000 1.235 326 I HN 0.653 nan 8.210 nan 0.000 0.423 327 A N 4.480 126.868 122.820 -0.720 0.000 2.357 327 A HA 0.591 4.912 4.320 0.002 0.000 0.295 327 A C -0.901 176.464 177.584 -0.365 0.000 1.121 327 A CA -0.472 51.181 52.037 -0.641 0.000 0.742 327 A CB 1.358 19.681 19.000 -1.129 0.000 1.181 327 A HN 0.781 nan 8.150 nan 0.000 0.454 328 E N 2.212 122.361 120.200 -0.085 0.000 2.202 328 E HA 0.748 5.099 4.350 0.002 0.000 0.272 328 E C -1.218 175.477 176.600 0.158 0.000 0.951 328 E CA -0.518 55.925 56.400 0.071 0.000 0.813 328 E CB 1.287 31.092 29.700 0.175 0.000 1.151 328 E HN 0.650 nan 8.360 nan 0.000 0.398 329 I N 2.255 122.942 120.570 0.194 0.000 2.730 329 I HA 0.284 4.456 4.170 0.002 0.000 0.298 329 I C -1.161 175.108 176.117 0.252 0.000 1.089 329 I CA -0.963 60.501 61.300 0.273 0.000 1.041 329 I CB 2.209 40.394 38.000 0.308 0.000 1.235 329 I HN 0.413 nan 8.210 nan 0.000 0.423 330 Q N 3.597 123.558 119.800 0.269 0.000 2.323 330 Q HA 0.373 4.715 4.340 0.002 0.000 0.271 330 Q C -0.878 175.194 176.000 0.120 0.000 1.048 330 Q CA -0.814 55.095 55.803 0.176 0.000 0.792 330 Q CB 2.539 31.350 28.738 0.122 0.000 1.280 330 Q HN 0.356 nan 8.270 nan 0.000 0.441 331 K N 2.111 122.473 120.400 -0.063 0.000 2.310 331 K HA 0.097 4.419 4.320 0.002 0.000 0.290 331 K C 0.053 176.418 176.600 -0.391 0.000 1.077 331 K CA -0.037 55.906 56.287 -0.574 0.000 0.922 331 K CB 0.649 32.788 32.500 -0.602 0.000 1.057 331 K HN 0.555 nan 8.250 nan 0.000 0.479 332 Q N 2.482 122.029 119.800 -0.421 0.000 2.424 332 Q HA 0.103 4.444 4.340 0.002 0.000 0.204 332 Q C 0.525 176.381 176.000 -0.239 0.000 0.933 332 Q CA 0.715 56.379 55.803 -0.232 0.000 0.929 332 Q CB 0.637 29.296 28.738 -0.132 0.000 1.037 332 Q HN 1.012 nan 8.270 nan 0.000 0.511 333 G N 0.993 109.581 108.800 -0.353 0.000 2.699 333 G HA2 -0.193 3.769 3.960 0.002 0.000 0.686 333 G HA3 -0.193 3.769 3.960 0.002 0.000 0.686 333 G C -0.519 174.277 174.900 -0.173 0.000 1.301 333 G CA -0.418 44.543 45.100 -0.231 0.000 0.816 333 G HN 0.100 nan 8.290 nan 0.000 0.595 334 Q N -1.500 118.238 119.800 -0.103 0.000 2.457 334 Q HA -0.208 4.133 4.340 0.002 0.000 0.283 334 Q C 1.896 177.880 176.000 -0.026 0.000 1.234 334 Q CA 3.015 58.787 55.803 -0.051 0.000 0.877 334 Q CB -1.790 26.922 28.738 -0.043 0.000 1.250 334 Q HN 2.945 nan 8.270 nan 0.000 0.481 335 G N -1.242 107.549 108.800 -0.014 0.000 2.184 335 G HA2 -0.340 3.621 3.960 0.002 0.000 0.264 335 G HA3 -0.340 3.621 3.960 0.002 0.000 0.264 335 G C 0.047 175.020 174.900 0.121 0.000 0.975 335 G CA 0.742 45.910 45.100 0.114 0.000 0.642 335 G HN 0.381 nan 8.290 nan 0.000 0.536 336 Q N -1.086 118.656 119.800 -0.096 0.000 2.222 336 Q HA 0.726 5.067 4.340 0.002 0.000 0.252 336 Q C -0.535 175.283 176.000 -0.303 0.000 0.926 336 Q CA -0.169 55.610 55.803 -0.040 0.000 0.899 336 Q CB 1.012 29.735 28.738 -0.026 0.000 1.250 336 Q HN 0.437 nan 8.270 nan 0.000 0.441 337 W N 0.044 121.444 121.300 0.166 0.000 3.127 337 W HA 0.611 5.272 4.660 0.002 0.000 0.330 337 W C -0.774 175.878 176.519 0.222 0.000 1.187 337 W CA -0.668 56.802 57.345 0.208 0.000 1.198 337 W CB 1.574 31.213 29.460 0.298 0.000 1.408 337 W HN 0.545 nan 8.180 nan 0.000 0.529 338 T N -0.298 114.482 114.554 0.376 0.000 2.907 338 T HA 0.826 5.177 4.350 0.002 0.000 0.292 338 T C -1.247 173.634 174.700 0.302 0.000 1.043 338 T CA -0.808 61.450 62.100 0.262 0.000 1.003 338 T CB 1.986 70.933 68.868 0.132 0.000 1.084 338 T HN 0.479 nan 8.240 nan 0.000 0.483 339 Y N -0.762 119.575 120.300 0.062 0.000 2.625 339 Y HA 0.819 5.370 4.550 0.002 0.000 0.338 339 Y C -1.760 174.092 175.900 -0.079 0.000 1.123 339 Y CA -1.504 56.603 58.100 0.013 0.000 1.046 339 Y CB 1.484 39.979 38.460 0.059 0.000 1.299 339 Y HN 0.604 nan 8.280 nan 0.000 0.464 340 Q N 1.950 121.763 119.800 0.022 0.000 2.268 340 Q HA 0.578 4.919 4.340 0.002 0.000 0.266 340 Q C -1.614 174.472 176.000 0.144 0.000 1.006 340 Q CA -0.476 55.309 55.803 -0.030 0.000 0.824 340 Q CB 2.886 31.549 28.738 -0.125 0.000 1.306 340 Q HN 0.753 nan 8.270 nan 0.000 0.424 341 I N 3.862 124.506 120.570 0.124 0.000 2.359 341 I HA 0.598 4.770 4.170 0.002 0.000 0.294 341 I C -0.681 175.432 176.117 -0.006 0.000 0.987 341 I CA -0.866 60.410 61.300 -0.040 0.000 1.225 341 I CB 0.386 38.380 38.000 -0.011 0.000 1.366 341 I HN 0.676 nan 8.210 nan 0.000 0.466 342 Y N 3.062 123.254 120.300 -0.178 0.000 2.744 342 Y HA 0.487 5.039 4.550 0.002 0.000 0.330 342 Y C -0.266 175.516 175.900 -0.195 0.000 1.263 342 Y CA -0.907 57.093 58.100 -0.166 0.000 1.065 342 Y CB 1.015 39.399 38.460 -0.127 0.000 1.306 342 Y HN 0.430 nan 8.280 nan 0.000 0.459 343 Q N -0.709 119.119 119.800 0.046 0.000 2.384 343 Q HA 0.269 4.610 4.340 0.002 0.000 0.264 343 Q C -0.747 175.313 176.000 0.101 0.000 0.825 343 Q CA -0.007 55.763 55.803 -0.055 0.000 0.984 343 Q CB 1.529 30.202 28.738 -0.109 0.000 1.183 343 Q HN 0.553 nan 8.270 nan 0.000 0.537 344 E N 1.548 121.851 120.200 0.173 0.000 2.238 344 E HA 0.379 4.730 4.350 0.002 0.000 0.267 344 E C -2.635 173.943 176.600 -0.037 0.000 0.887 344 E CA -2.313 54.131 56.400 0.073 0.000 0.769 344 E CB 1.806 31.514 29.700 0.014 0.000 1.187 344 E HN -0.104 nan 8.360 nan 0.000 0.416 345 P HA 0.011 nan 4.420 nan 0.000 0.264 345 P C -0.408 176.596 177.300 -0.493 0.000 1.193 345 P CA 0.255 62.979 63.100 -0.627 0.000 0.763 345 P CB 0.038 31.429 31.700 -0.515 0.000 0.810 346 F N 0.503 120.217 119.950 -0.393 0.000 2.748 346 F HA -0.249 4.279 4.527 0.002 0.000 0.370 346 F C 0.472 176.132 175.800 -0.232 0.000 0.620 346 F CA 0.986 58.805 58.000 -0.302 0.000 1.233 346 F CB -2.098 36.702 39.000 -0.333 0.000 1.708 346 F HN 0.348 nan 8.300 nan 0.000 0.298 347 K N 1.300 121.656 120.400 -0.073 0.000 2.499 347 K HA 0.294 4.616 4.320 0.002 0.000 0.215 347 K C -0.209 176.400 176.600 0.015 0.000 1.041 347 K CA -0.536 55.730 56.287 -0.035 0.000 1.031 347 K CB 0.525 33.009 32.500 -0.027 0.000 1.479 347 K HN -0.020 nan 8.250 nan 0.000 0.518 348 N N 2.343 121.066 118.700 0.038 0.000 2.514 348 N HA 0.125 4.867 4.740 0.002 0.000 0.277 348 N C 0.887 176.459 175.510 0.105 0.000 1.126 348 N CA -0.055 53.057 53.050 0.102 0.000 0.978 348 N CB 1.227 39.788 38.487 0.122 0.000 1.106 348 N HN 0.353 nan 8.380 nan 0.000 0.461 349 L N 0.864 122.162 121.223 0.126 0.000 2.354 349 L HA 0.185 4.526 4.340 0.002 0.000 0.212 349 L C 0.853 177.891 176.870 0.280 0.000 1.091 349 L CA 0.690 55.648 54.840 0.197 0.000 0.828 349 L CB 0.114 42.235 42.059 0.103 0.000 0.973 349 L HN 0.493 nan 8.230 nan 0.000 0.461 350 K N -0.265 120.270 120.400 0.225 0.000 2.598 350 K HA 0.305 4.626 4.320 0.002 0.000 0.271 350 K C -1.348 175.290 176.600 0.063 0.000 0.947 350 K CA -0.410 55.993 56.287 0.193 0.000 0.854 350 K CB 1.802 34.479 32.500 0.294 0.000 1.401 350 K HN -0.056 nan 8.250 nan 0.000 0.415 351 T N -0.528 113.997 114.554 -0.047 0.000 2.906 351 T HA 0.932 5.283 4.350 0.002 0.000 0.295 351 T C 0.004 174.427 174.700 -0.462 0.000 1.075 351 T CA -0.427 61.505 62.100 -0.281 0.000 1.005 351 T CB 2.023 70.833 68.868 -0.097 0.000 1.136 351 T HN 0.787 nan 8.240 nan 0.000 0.498 352 G N 0.142 108.430 108.800 -0.854 0.000 2.488 352 G HA2 0.585 4.547 3.960 0.002 0.000 0.301 352 G HA3 0.585 4.547 3.960 0.002 0.000 0.301 352 G C -2.111 172.617 174.900 -0.286 0.000 1.339 352 G CA -0.982 43.777 45.100 -0.568 0.000 0.803 352 G HN 0.829 nan 8.290 nan 0.000 0.482 353 K N -1.162 119.307 120.400 0.116 0.000 2.435 353 K HA 0.684 5.005 4.320 0.002 0.000 0.251 353 K C -2.133 174.725 176.600 0.430 0.000 0.954 353 K CA -0.955 55.489 56.287 0.262 0.000 0.820 353 K CB 2.508 35.099 32.500 0.152 0.000 1.292 353 K HN 0.594 nan 8.250 nan 0.000 0.436 354 Y N 1.150 121.639 120.300 0.316 0.000 2.386 354 Y HA 0.613 5.164 4.550 0.002 0.000 0.334 354 Y C -1.645 174.437 175.900 0.303 0.000 1.002 354 Y CA -0.626 57.634 58.100 0.266 0.000 1.068 354 Y CB 1.813 40.402 38.460 0.215 0.000 1.203 354 Y HN 0.635 nan 8.280 nan 0.000 0.443 355 A N 6.731 129.395 122.820 -0.260 0.000 2.317 355 A HA 0.658 4.979 4.320 0.002 0.000 0.327 355 A C -0.553 176.688 177.584 -0.571 0.000 1.178 355 A CA -1.000 50.919 52.037 -0.197 0.000 0.817 355 A CB 0.519 19.457 19.000 -0.104 0.000 1.189 355 A HN 0.953 nan 8.150 nan 0.000 0.489 356 R N 2.096 122.446 120.500 -0.251 0.000 2.758 356 R HA 0.262 4.603 4.340 0.002 0.000 0.263 356 R C -0.309 175.856 176.300 -0.224 0.000 1.010 356 R CA 0.270 56.242 56.100 -0.215 0.000 1.114 356 R CB 0.133 30.459 30.300 0.045 0.000 0.985 356 R HN 0.619 nan 8.270 nan 0.000 0.439 357 M N 1.815 121.329 119.600 -0.142 0.000 2.274 357 M HA 0.212 4.694 4.480 0.002 0.000 0.344 357 M C 0.548 176.793 176.300 -0.092 0.000 1.161 357 M CA -0.667 54.577 55.300 -0.092 0.000 1.126 357 M CB 1.415 33.998 32.600 -0.028 0.000 1.522 357 M HN 0.621 nan 8.290 nan 0.000 0.461 358 R N 1.230 121.682 120.500 -0.080 0.000 2.500 358 R HA -0.025 4.317 4.340 0.002 0.000 0.281 358 R C 0.771 176.970 176.300 -0.167 0.000 0.953 358 R CA 1.678 57.721 56.100 -0.095 0.000 1.108 358 R CB -0.126 30.142 30.300 -0.054 0.000 0.901 358 R HN 0.973 nan 8.270 nan 0.000 0.410 359 G N 2.417 111.022 108.800 -0.325 0.000 2.308 359 G HA2 -0.352 3.609 3.960 0.002 0.000 0.221 359 G HA3 -0.352 3.609 3.960 0.002 0.000 0.221 359 G C 0.655 175.162 174.900 -0.655 0.000 1.032 359 G CA 0.253 45.046 45.100 -0.511 0.000 0.623 359 G HN 0.841 nan 8.290 nan 0.000 0.506 360 A N 1.798 124.407 122.820 -0.353 0.000 2.235 360 A HA 0.314 4.636 4.320 0.002 0.000 0.208 360 A C 1.663 179.198 177.584 -0.082 0.000 1.172 360 A CA 1.508 53.425 52.037 -0.199 0.000 0.786 360 A CB -1.199 17.743 19.000 -0.096 0.000 0.804 360 A HN 1.090 nan 8.150 nan 0.000 0.479 361 H N -0.384 118.682 119.070 -0.006 0.000 2.337 361 H HA -0.232 4.326 4.556 0.003 0.000 0.288 361 H C 1.541 176.869 175.328 0.000 0.000 1.117 361 H CA 1.650 57.699 56.048 0.002 0.000 1.205 361 H CB -0.830 28.929 29.762 -0.005 0.000 1.353 361 H HN 0.550 nan 8.280 nan 0.000 0.480 362 T N -2.580 112.140 114.554 0.277 0.000 3.092 362 T HA 0.101 4.452 4.350 0.002 0.000 0.258 362 T C 0.431 175.151 174.700 0.034 0.000 1.031 362 T CA -0.406 61.756 62.100 0.103 0.000 0.925 362 T CB 0.147 69.047 68.868 0.053 0.000 1.036 362 T HN 0.186 nan 8.240 nan 0.000 0.544 363 N N 1.146 119.853 118.700 0.012 0.000 2.531 363 N HA 0.266 5.008 4.740 0.002 0.000 0.268 363 N C -0.447 175.035 175.510 -0.047 0.000 1.023 363 N CA -0.311 52.688 53.050 -0.085 0.000 0.896 363 N CB 1.897 40.255 38.487 -0.215 0.000 1.233 363 N HN -0.097 nan 8.380 nan 0.000 0.512 364 D N 2.207 122.628 120.400 0.035 0.000 2.144 364 D HA -0.070 4.571 4.640 0.002 0.000 0.200 364 D C 1.758 178.111 176.300 0.089 0.000 0.978 364 D CA 1.045 55.160 54.000 0.192 0.000 0.833 364 D CB 0.469 41.425 40.800 0.260 0.000 0.961 364 D HN 0.352 nan 8.370 nan 0.000 0.470 365 V N 0.730 120.641 119.914 -0.005 0.000 2.490 365 V HA -0.196 3.926 4.120 0.002 0.000 0.250 365 V C 2.374 178.372 176.094 -0.160 0.000 1.061 365 V CA 1.346 63.654 62.300 0.014 0.000 1.064 365 V CB -0.334 31.538 31.823 0.081 0.000 0.670 365 V HN 0.161 nan 8.190 nan 0.000 0.461 366 K N -0.107 120.010 120.400 -0.472 0.000 2.031 366 K HA -0.188 4.133 4.320 0.002 0.000 0.205 366 K C 2.314 178.766 176.600 -0.247 0.000 1.049 366 K CA 1.472 57.390 56.287 -0.615 0.000 0.939 366 K CB -0.103 31.912 32.500 -0.809 0.000 0.717 366 K HN 0.503 nan 8.250 nan 0.000 0.438 367 Q N 0.592 120.285 119.800 -0.178 0.000 2.096 367 Q HA -0.168 4.173 4.340 0.002 0.000 0.204 367 Q C 2.209 177.903 176.000 -0.510 0.000 0.982 367 Q CA 1.297 57.011 55.803 -0.148 0.000 0.850 367 Q CB -0.060 28.710 28.738 0.055 0.000 0.901 367 Q HN 0.356 nan 8.270 nan 0.000 0.422 368 L N 0.583 121.493 121.223 -0.522 0.000 2.005 368 L HA -0.178 4.163 4.340 0.002 0.000 0.207 368 L C 2.670 179.441 176.870 -0.166 0.000 1.072 368 L CA 2.047 56.580 54.840 -0.512 0.000 0.744 368 L CB -0.818 41.157 42.059 -0.140 0.000 0.895 368 L HN 0.464 nan 8.230 nan 0.000 0.433 369 T N -3.486 111.132 114.554 0.106 0.000 2.746 369 T HA -0.238 4.114 4.350 0.002 0.000 0.267 369 T C 1.564 176.293 174.700 0.049 0.000 1.039 369 T CA 1.446 63.730 62.100 0.305 0.000 1.142 369 T CB -0.415 68.684 68.868 0.385 0.000 0.866 369 T HN 0.386 nan 8.240 nan 0.000 0.444 370 E N 1.490 121.623 120.200 -0.113 0.000 2.077 370 E HA 0.003 4.354 4.350 0.002 0.000 0.193 370 E C 2.683 179.000 176.600 -0.471 0.000 0.989 370 E CA 1.014 57.292 56.400 -0.204 0.000 0.800 370 E CB -0.402 29.252 29.700 -0.076 0.000 0.746 370 E HN 0.691 nan 8.360 nan 0.000 0.452 371 A N 0.893 123.228 122.820 -0.807 0.000 1.877 371 A HA -0.164 4.157 4.320 0.002 0.000 0.216 371 A C 2.506 179.794 177.584 -0.494 0.000 1.186 371 A CA 1.303 52.721 52.037 -1.032 0.000 0.620 371 A CB -0.763 17.623 19.000 -1.023 0.000 0.822 371 A HN 0.129 nan 8.150 nan 0.000 0.443 372 V N 0.185 119.893 119.914 -0.345 0.000 2.392 372 V HA -0.334 3.788 4.120 0.002 0.000 0.249 372 V C 2.654 178.699 176.094 -0.082 0.000 1.059 372 V CA 2.299 64.390 62.300 -0.349 0.000 1.051 372 V CB -0.921 30.699 31.823 -0.339 0.000 0.658 372 V HN 0.645 nan 8.190 nan 0.000 0.455 373 Q N -0.301 119.467 119.800 -0.053 0.000 2.049 373 Q HA -0.220 4.121 4.340 0.002 0.000 0.198 373 Q C 2.366 178.446 176.000 0.133 0.000 0.971 373 Q CA 1.535 57.363 55.803 0.041 0.000 0.833 373 Q CB -0.204 28.401 28.738 -0.222 0.000 0.896 373 Q HN 0.580 nan 8.270 nan 0.000 0.434 374 K N 1.151 121.543 120.400 -0.014 0.000 1.991 374 K HA -0.171 4.150 4.320 0.002 0.000 0.212 374 K C 2.049 178.609 176.600 -0.068 0.000 1.049 374 K CA 1.356 57.660 56.287 0.027 0.000 0.932 374 K CB -0.162 32.295 32.500 -0.071 0.000 0.717 374 K HN 0.102 nan 8.250 nan 0.000 0.441 375 I N 0.710 121.171 120.570 -0.181 0.000 2.194 375 I HA -0.306 3.865 4.170 0.002 0.000 0.246 375 I C 2.175 178.271 176.117 -0.036 0.000 1.093 375 I CA 1.599 62.765 61.300 -0.222 0.000 1.355 375 I CB -0.499 37.386 38.000 -0.193 0.000 1.046 375 I HN 0.293 nan 8.210 nan 0.000 0.413 376 T N -0.174 114.447 114.554 0.113 0.000 2.821 376 T HA -0.154 4.198 4.350 0.002 0.000 0.267 376 T C 1.959 176.534 174.700 -0.209 0.000 1.046 376 T CA 1.962 64.072 62.100 0.015 0.000 1.139 376 T CB -0.460 68.457 68.868 0.081 0.000 0.871 376 T HN 0.593 nan 8.240 nan 0.000 0.454 377 T N 0.716 115.244 114.554 -0.044 0.000 2.904 377 T HA 0.005 4.356 4.350 0.002 0.000 0.267 377 T C 1.724 176.382 174.700 -0.071 0.000 1.059 377 T CA 0.840 62.935 62.100 -0.008 0.000 1.137 377 T CB -0.245 68.790 68.868 0.278 0.000 0.879 377 T HN 0.445 nan 8.240 nan 0.000 0.467 378 E N 1.234 121.356 120.200 -0.131 0.000 2.051 378 E HA -0.113 4.238 4.350 0.002 0.000 0.192 378 E C 2.497 179.030 176.600 -0.112 0.000 0.991 378 E CA 1.238 57.511 56.400 -0.212 0.000 0.799 378 E CB -0.345 29.015 29.700 -0.567 0.000 0.748 378 E HN 0.536 nan 8.360 nan 0.000 0.449 379 S N 0.794 116.443 115.700 -0.086 0.000 2.359 379 S HA -0.195 4.277 4.470 0.002 0.000 0.223 379 S C 2.050 176.577 174.600 -0.123 0.000 1.039 379 S CA 1.114 59.336 58.200 0.037 0.000 1.042 379 S CB -0.292 62.914 63.200 0.009 0.000 0.915 379 S HN 0.170 nan 8.310 nan 0.000 0.439 380 I N 0.910 121.310 120.570 -0.284 0.000 2.099 380 I HA -0.181 3.990 4.170 0.002 0.000 0.239 380 I C 2.346 178.294 176.117 -0.282 0.000 1.066 380 I CA 1.374 62.440 61.300 -0.390 0.000 1.324 380 I CB -0.622 36.989 38.000 -0.647 0.000 1.037 380 I HN 0.188 nan 8.210 nan 0.000 0.401 381 V N 1.145 120.907 119.914 -0.252 0.000 2.317 381 V HA -0.316 3.805 4.120 0.002 0.000 0.251 381 V C 2.176 178.177 176.094 -0.155 0.000 1.065 381 V CA 2.081 64.303 62.300 -0.130 0.000 1.049 381 V CB -0.451 31.416 31.823 0.073 0.000 0.651 381 V HN 0.355 nan 8.190 nan 0.000 0.450 382 I N -2.248 118.094 120.570 -0.380 0.000 2.385 382 I HA -0.096 4.075 4.170 0.002 0.000 0.244 382 I C 1.985 177.354 176.117 -1.246 0.000 1.089 382 I CA 1.316 62.140 61.300 -0.793 0.000 1.410 382 I CB -0.195 37.032 38.000 -1.287 0.000 1.117 382 I HN 0.377 nan 8.210 nan 0.000 0.429 383 W N 0.559 121.408 121.300 -0.752 0.000 3.008 383 W HA 0.368 5.030 4.660 0.002 0.000 0.355 383 W C 1.084 177.143 176.519 -0.767 0.000 1.095 383 W CA 0.433 57.235 57.345 -0.905 0.000 1.738 383 W CB -0.075 28.838 29.460 -0.912 0.000 1.091 383 W HN 0.281 nan 8.180 nan 0.000 0.574 384 G N 3.207 111.697 108.800 -0.516 0.000 2.272 384 G HA2 -0.295 3.667 3.960 0.002 0.000 0.280 384 G HA3 -0.295 3.667 3.960 0.002 0.000 0.280 384 G C 0.013 175.035 174.900 0.203 0.000 1.067 384 G CA 0.926 46.022 45.100 -0.007 0.000 0.902 384 G HN 0.355 nan 8.290 nan 0.000 0.500 385 K N -1.883 118.529 120.400 0.021 0.000 2.610 385 K HA 0.636 4.957 4.320 0.002 0.000 0.278 385 K C -0.286 176.229 176.600 -0.142 0.000 0.964 385 K CA -0.532 55.799 56.287 0.072 0.000 0.859 385 K CB 0.529 33.123 32.500 0.157 0.000 1.434 385 K HN 0.543 nan 8.250 nan 0.000 0.410 386 T N -0.352 114.113 114.554 -0.149 0.000 2.909 386 T HA 0.530 4.881 4.350 0.002 0.000 0.289 386 T C -2.047 172.611 174.700 -0.070 0.000 1.005 386 T CA -1.327 60.675 62.100 -0.162 0.000 1.084 386 T CB 1.002 69.812 68.868 -0.097 0.000 0.975 386 T HN 0.461 nan 8.240 nan 0.000 0.509 387 P HA 0.360 nan 4.420 nan 0.000 0.284 387 P C -0.917 176.289 177.300 -0.156 0.000 1.292 387 P CA -0.812 62.147 63.100 -0.235 0.000 0.800 387 P CB 0.737 32.147 31.700 -0.484 0.000 1.188 388 K N 0.901 121.151 120.400 -0.250 0.000 2.265 388 K HA 0.348 4.670 4.320 0.002 0.000 0.267 388 K C -1.020 175.439 176.600 -0.236 0.000 0.994 388 K CA -0.624 55.580 56.287 -0.138 0.000 0.860 388 K CB -0.081 32.328 32.500 -0.152 0.000 1.099 388 K HN 0.262 nan 8.250 nan 0.000 0.448 389 F N 2.210 122.088 119.950 -0.119 0.000 2.377 389 F HA 0.352 4.881 4.527 0.002 0.000 0.328 389 F C 0.720 176.415 175.800 -0.175 0.000 1.094 389 F CA -0.255 57.663 58.000 -0.135 0.000 1.093 389 F CB 1.024 39.951 39.000 -0.122 0.000 1.214 389 F HN 0.240 nan 8.300 nan 0.000 0.518 390 K N 3.192 123.603 120.400 0.018 0.000 2.521 390 K HA 0.465 4.787 4.320 0.002 0.000 0.248 390 K C -1.418 175.185 176.600 0.005 0.000 0.978 390 K CA -0.265 56.003 56.287 -0.032 0.000 0.947 390 K CB 1.038 33.535 32.500 -0.006 0.000 1.165 390 K HN 0.437 nan 8.250 nan 0.000 0.445 391 L N 4.677 125.836 121.223 -0.107 0.000 2.289 391 L HA 0.391 4.732 4.340 0.002 0.000 0.285 391 L C -1.781 175.117 176.870 0.047 0.000 1.049 391 L CA -1.955 52.826 54.840 -0.099 0.000 0.804 391 L CB 1.081 42.890 42.059 -0.417 0.000 1.195 391 L HN 0.377 nan 8.230 nan 0.000 0.428 392 P HA 0.212 nan 4.420 nan 0.000 0.218 392 P C -0.565 176.850 177.300 0.193 0.000 1.793 392 P CA 0.356 63.557 63.100 0.167 0.000 0.941 392 P CB 0.377 32.197 31.700 0.201 0.000 1.919 393 I N -0.875 119.810 120.570 0.192 0.000 2.913 393 I HA 0.287 4.458 4.170 0.002 0.000 0.302 393 I C -0.754 175.450 176.117 0.144 0.000 1.246 393 I CA -1.244 60.173 61.300 0.194 0.000 1.010 393 I CB 3.240 41.381 38.000 0.235 0.000 1.259 393 I HN -0.112 nan 8.210 nan 0.000 0.434 394 Q N 5.063 124.896 119.800 0.055 0.000 2.327 394 Q HA 0.130 4.471 4.340 0.002 0.000 0.254 394 Q C 0.791 176.585 176.000 -0.344 0.000 0.952 394 Q CA -0.077 55.688 55.803 -0.063 0.000 0.884 394 Q CB 1.585 30.313 28.738 -0.017 0.000 1.224 394 Q HN 0.675 nan 8.270 nan 0.000 0.422 395 K N 2.766 122.779 120.400 -0.644 0.000 2.052 395 K HA -0.299 4.022 4.320 0.002 0.000 0.215 395 K C 1.187 177.445 176.600 -0.569 0.000 1.053 395 K CA 2.455 58.037 56.287 -1.176 0.000 0.934 395 K CB 0.125 32.244 32.500 -0.636 0.000 0.717 395 K HN 0.636 nan 8.250 nan 0.000 0.450 396 E N -0.271 119.756 120.200 -0.289 0.000 2.153 396 E HA -0.114 4.237 4.350 0.002 0.000 0.194 396 E C 1.923 178.422 176.600 -0.169 0.000 0.988 396 E CA 1.807 58.088 56.400 -0.198 0.000 0.811 396 E CB -0.190 29.425 29.700 -0.142 0.000 0.746 396 E HN 0.407 nan 8.360 nan 0.000 0.466 397 T N 0.241 114.769 114.554 -0.043 0.000 2.777 397 T HA -0.164 4.187 4.350 0.002 0.000 0.266 397 T C 1.317 176.135 174.700 0.197 0.000 1.040 397 T CA 1.051 63.252 62.100 0.168 0.000 1.141 397 T CB -0.354 68.668 68.868 0.258 0.000 0.868 397 T HN 0.397 nan 8.240 nan 0.000 0.444 398 W N 2.300 123.532 121.300 -0.112 0.000 2.380 398 W HA -0.112 4.548 4.660 0.002 0.000 0.317 398 W C 1.955 178.452 176.519 -0.037 0.000 1.196 398 W CA 1.295 58.575 57.345 -0.108 0.000 1.307 398 W CB -0.263 29.027 29.460 -0.283 0.000 1.157 398 W HN 0.359 nan 8.180 nan 0.000 0.483 399 E N -0.389 119.754 120.200 -0.096 0.000 2.171 399 E HA -0.223 4.129 4.350 0.002 0.000 0.197 399 E C 1.940 178.321 176.600 -0.366 0.000 0.997 399 E CA 2.097 58.406 56.400 -0.152 0.000 0.810 399 E CB -0.463 29.169 29.700 -0.114 0.000 0.738 399 E HN 0.219 nan 8.360 nan 0.000 0.467 400 T N -0.602 113.686 114.554 -0.443 0.000 2.942 400 T HA -0.078 4.273 4.350 0.002 0.000 0.265 400 T C 0.847 175.091 174.700 -0.760 0.000 1.062 400 T CA 0.765 62.416 62.100 -0.749 0.000 1.139 400 T CB 0.033 68.164 68.868 -1.228 0.000 0.883 400 T HN 0.341 nan 8.240 nan 0.000 0.468 401 W N -0.361 120.769 121.300 -0.283 0.000 2.355 401 W HA 0.268 4.929 4.660 0.001 0.000 0.303 401 W C 1.647 177.948 176.519 -0.363 0.000 0.939 401 W CA -1.061 56.121 57.345 -0.272 0.000 1.377 401 W CB -0.576 28.865 29.460 -0.032 0.000 1.048 401 W HN 0.360 nan 8.180 nan 0.000 0.542 402 W N 2.149 123.108 121.300 -0.569 0.000 2.321 402 W HA -0.256 4.405 4.660 0.002 0.000 0.306 402 W C 1.637 177.922 176.519 -0.390 0.000 1.217 402 W CA 2.553 59.420 57.345 -0.797 0.000 1.257 402 W CB -1.848 26.412 29.460 -2.001 0.000 1.145 402 W HN -0.153 nan 8.180 nan 0.000 0.509 403 T N -0.414 113.314 114.554 -1.377 0.000 2.759 403 T HA -0.269 4.082 4.350 0.002 0.000 0.269 403 T C 1.507 175.973 174.700 -0.391 0.000 1.042 403 T CA 1.806 63.256 62.100 -1.084 0.000 1.140 403 T CB -0.671 67.423 68.868 -1.290 0.000 0.864 403 T HN 0.041 nan 8.240 nan 0.000 0.455 404 E N 1.352 121.241 120.200 -0.518 0.000 2.171 404 E HA -0.138 4.214 4.350 0.002 0.000 0.197 404 E C 1.015 177.186 176.600 -0.715 0.000 0.997 404 E CA 1.354 57.348 56.400 -0.676 0.000 0.810 404 E CB -0.369 28.646 29.700 -1.141 0.000 0.738 404 E HN 0.884 nan 8.360 nan 0.000 0.467 405 Y N -2.429 117.896 120.300 0.041 0.000 2.641 405 Y HA 0.204 4.755 4.550 0.002 0.000 0.248 405 Y C 0.624 176.616 175.900 0.154 0.000 1.170 405 Y CA -1.003 57.136 58.100 0.065 0.000 1.201 405 Y CB -0.144 38.333 38.460 0.029 0.000 1.232 405 Y HN 0.003 nan 8.280 nan 0.000 0.537 406 W N 2.887 124.234 121.300 0.077 0.000 2.218 406 W HA 0.224 4.885 4.660 0.002 0.000 0.326 406 W C -0.129 176.434 176.519 0.074 0.000 1.276 406 W CA 0.310 57.749 57.345 0.157 0.000 1.210 406 W CB 1.159 30.783 29.460 0.274 0.000 1.143 406 W HN 0.233 nan 8.180 nan 0.000 0.563 407 Q N 2.977 122.493 119.800 -0.473 0.000 2.081 407 Q HA 0.226 4.568 4.340 0.002 0.000 0.220 407 Q C 0.096 175.790 176.000 -0.510 0.000 0.775 407 Q CA -0.243 55.348 55.803 -0.355 0.000 0.983 407 Q CB 1.444 30.022 28.738 -0.268 0.000 1.188 407 Q HN 0.361 nan 8.270 nan 0.000 0.458 408 A N 0.380 122.619 122.820 -0.968 0.000 2.282 408 A HA 0.427 4.748 4.320 0.002 0.000 0.319 408 A C 1.151 178.383 177.584 -0.587 0.000 1.121 408 A CA -0.090 51.340 52.037 -1.012 0.000 0.836 408 A CB 0.615 18.416 19.000 -1.999 0.000 1.146 408 A HN 0.234 nan 8.150 nan 0.000 0.494 409 T N -1.271 112.951 114.554 -0.554 0.000 2.951 409 T HA -0.005 4.346 4.350 0.002 0.000 0.268 409 T C 0.724 175.496 174.700 0.121 0.000 1.073 409 T CA 0.692 62.718 62.100 -0.123 0.000 1.134 409 T CB -0.398 68.466 68.868 -0.007 0.000 0.884 409 T HN 0.678 nan 8.240 nan 0.000 0.479 410 W N 0.952 122.555 121.300 0.504 0.000 2.260 410 W HA 0.737 5.398 4.660 0.002 0.000 0.366 410 W C -0.655 176.319 176.519 0.757 0.000 1.315 410 W CA -1.673 56.003 57.345 0.552 0.000 1.458 410 W CB 0.315 30.095 29.460 0.534 0.000 1.255 410 W HN -0.020 nan 8.180 nan 0.000 0.671 411 I N 2.115 123.253 120.570 0.945 0.000 2.610 411 I HA 0.198 4.370 4.170 0.002 0.000 0.289 411 I C -2.155 174.239 176.117 0.460 0.000 1.163 411 I CA -2.116 59.605 61.300 0.701 0.000 1.044 411 I CB 2.459 40.629 38.000 0.284 0.000 1.251 411 I HN -0.006 nan 8.210 nan 0.000 0.424 412 P HA 0.306 nan 4.420 nan 0.000 0.279 412 P C -0.868 176.337 177.300 -0.158 0.000 1.276 412 P CA -0.414 62.833 63.100 0.244 0.000 0.801 412 P CB 1.051 33.020 31.700 0.448 0.000 1.127 413 E N -0.460 119.671 120.200 -0.116 0.000 2.345 413 E HA 0.358 4.709 4.350 0.002 0.000 0.259 413 E C -0.567 175.903 176.600 -0.217 0.000 1.117 413 E CA 0.216 56.405 56.400 -0.352 0.000 0.913 413 E CB 0.546 30.142 29.700 -0.174 0.000 1.057 413 E HN 0.508 nan 8.360 nan 0.000 0.432 414 W N -0.302 120.876 121.300 -0.204 0.000 3.146 414 W HA 0.459 5.121 4.660 0.003 0.000 0.319 414 W C -1.202 174.976 176.519 -0.569 0.000 1.258 414 W CA -0.966 56.140 57.345 -0.397 0.000 1.189 414 W CB 0.077 29.139 29.460 -0.662 0.000 1.412 414 W HN 0.467 nan 8.180 nan 0.000 0.567 415 E N 0.746 120.729 120.200 -0.361 0.000 2.383 415 E HA 0.700 5.052 4.350 0.002 0.000 0.275 415 E C -1.848 174.332 176.600 -0.700 0.000 0.918 415 E CA -1.014 55.107 56.400 -0.465 0.000 0.764 415 E CB 2.317 31.915 29.700 -0.170 0.000 1.252 415 E HN 0.251 nan 8.360 nan 0.000 0.449 416 F N 1.384 121.332 119.950 -0.002 0.000 2.415 416 F HA 0.471 4.999 4.527 0.003 0.000 0.348 416 F C 0.362 176.165 175.800 0.005 0.000 1.119 416 F CA -0.722 57.255 58.000 -0.038 0.000 1.069 416 F CB 1.755 40.731 39.000 -0.041 0.000 1.124 416 F HN 0.449 nan 8.300 nan 0.000 0.472 417 V N 0.011 120.006 119.914 0.134 0.000 3.155 417 V HA 0.669 4.791 4.120 0.002 0.000 0.313 417 V C -1.042 175.116 176.094 0.107 0.000 1.162 417 V CA -0.995 61.367 62.300 0.103 0.000 1.048 417 V CB 2.300 34.164 31.823 0.068 0.000 1.092 417 V HN 0.614 nan 8.190 nan 0.000 0.447 418 N N 1.109 119.862 118.700 0.089 0.000 2.444 418 N HA 0.449 5.190 4.740 0.002 0.000 0.262 418 N C -0.473 175.082 175.510 0.076 0.000 0.974 418 N CA -0.254 52.843 53.050 0.080 0.000 0.933 418 N CB 1.535 40.063 38.487 0.069 0.000 1.137 418 N HN 0.877 nan 8.380 nan 0.000 0.498 419 T N 3.562 118.160 114.554 0.073 0.000 2.769 419 T HA 0.216 4.568 4.350 0.002 0.000 0.293 419 T C -2.121 172.609 174.700 0.051 0.000 0.931 419 T CA -0.645 61.497 62.100 0.069 0.000 1.139 419 T CB 0.253 69.161 68.868 0.066 0.000 0.881 419 T HN 0.200 nan 8.240 nan 0.000 0.532 420 P HA 0.185 nan 4.420 nan 0.000 0.271 420 P C -1.859 175.434 177.300 -0.012 0.000 1.220 420 P CA -1.373 61.751 63.100 0.040 0.000 0.768 420 P CB 0.373 32.121 31.700 0.080 0.000 0.848 421 P HA -0.165 nan 4.420 nan 0.000 0.216 421 P C 1.180 178.405 177.300 -0.125 0.000 1.150 421 P CA 1.325 64.395 63.100 -0.051 0.000 0.843 421 P CB -0.028 31.655 31.700 -0.029 0.000 0.787 422 L N -1.718 119.374 121.223 -0.218 0.000 2.179 422 L HA -0.084 4.258 4.340 0.002 0.000 0.208 422 L C 2.308 178.710 176.870 -0.779 0.000 1.096 422 L CA 0.776 55.335 54.840 -0.469 0.000 0.779 422 L CB -0.780 40.935 42.059 -0.573 0.000 0.922 422 L HN -0.159 nan 8.230 nan 0.000 0.443 423 V N 0.193 119.733 119.914 -0.623 0.000 2.392 423 V HA -0.303 3.818 4.120 0.002 0.000 0.249 423 V C 2.646 178.711 176.094 -0.049 0.000 1.059 423 V CA 1.713 63.766 62.300 -0.411 0.000 1.051 423 V CB -0.622 31.244 31.823 0.071 0.000 0.658 423 V HN 0.431 nan 8.190 nan 0.000 0.455 424 K N 0.036 120.412 120.400 -0.040 0.000 2.001 424 K HA -0.137 4.185 4.320 0.002 0.000 0.208 424 K C 2.152 178.742 176.600 -0.016 0.000 1.048 424 K CA 1.439 57.743 56.287 0.028 0.000 0.932 424 K CB -0.495 32.000 32.500 -0.007 0.000 0.715 424 K HN 0.279 nan 8.250 nan 0.000 0.437 425 L N 0.973 122.142 121.223 -0.089 0.000 2.081 425 L HA -0.216 4.125 4.340 0.002 0.000 0.212 425 L C 2.301 179.127 176.870 -0.073 0.000 1.080 425 L CA 1.580 56.373 54.840 -0.078 0.000 0.754 425 L CB -1.357 40.654 42.059 -0.081 0.000 0.893 425 L HN 0.444 nan 8.230 nan 0.000 0.433 426 W N -0.712 120.380 121.300 -0.346 0.000 2.408 426 W HA -0.262 4.399 4.660 0.002 0.000 0.311 426 W C 2.341 178.681 176.519 -0.299 0.000 1.190 426 W CA 1.149 58.273 57.345 -0.369 0.000 1.321 426 W CB -0.406 28.672 29.460 -0.637 0.000 1.143 426 W HN 0.156 nan 8.180 nan 0.000 0.501 427 Y N 1.108 121.389 120.300 -0.032 0.000 2.509 427 Y HA -0.182 4.369 4.550 0.002 0.000 0.293 427 Y C 2.666 178.493 175.900 -0.120 0.000 1.133 427 Y CA 1.799 59.855 58.100 -0.073 0.000 1.283 427 Y CB -1.096 37.406 38.460 0.069 0.000 1.001 427 Y HN 0.178 nan 8.280 nan 0.000 0.555 428 Q N -0.176 119.615 119.800 -0.016 0.000 2.364 428 Q HA -0.145 4.196 4.340 0.002 0.000 0.207 428 Q C 1.387 177.322 176.000 -0.108 0.000 0.970 428 Q CA 0.703 56.480 55.803 -0.042 0.000 0.888 428 Q CB -0.128 28.580 28.738 -0.050 0.000 0.951 428 Q HN 0.403 nan 8.270 nan 0.000 0.469 429 L N 1.474 122.562 121.223 -0.225 0.000 2.610 429 L HA 0.101 4.442 4.340 0.002 0.000 0.232 429 L C 0.315 177.040 176.870 -0.242 0.000 1.149 429 L CA 0.937 55.601 54.840 -0.293 0.000 0.872 429 L CB -0.306 41.426 42.059 -0.546 0.000 0.992 429 L HN 0.152 nan 8.230 nan 0.000 0.447 430 E N 0.508 120.612 120.200 -0.159 0.000 2.442 430 E HA -0.079 4.272 4.350 0.002 0.000 0.262 430 E C 0.291 176.859 176.600 -0.053 0.000 1.004 430 E CA 0.144 56.495 56.400 -0.081 0.000 0.928 430 E CB 0.501 30.202 29.700 0.001 0.000 0.937 430 E HN 0.039 nan 8.360 nan 0.000 0.446 431 K N 2.904 123.284 120.400 -0.034 0.000 2.368 431 K HA 0.021 4.342 4.320 0.002 0.000 0.282 431 K C -0.372 176.229 176.600 0.000 0.000 1.035 431 K CA 0.272 56.548 56.287 -0.019 0.000 0.973 431 K CB 0.539 33.033 32.500 -0.009 0.000 0.957 431 K HN 0.403 nan 8.250 nan 0.000 0.474 432 E N 3.602 123.801 120.200 -0.002 0.000 2.264 432 E HA 0.327 4.679 4.350 0.002 0.000 0.260 432 E C -2.253 174.352 176.600 0.009 0.000 0.961 432 E CA -2.182 54.223 56.400 0.008 0.000 0.834 432 E CB 1.196 30.897 29.700 0.002 0.000 1.230 432 E HN 0.533 nan 8.360 nan 0.000 0.412 433 P HA 0.032 nan 4.420 nan 0.000 0.271 433 P C 0.468 177.769 177.300 0.002 0.000 1.238 433 P CA 0.088 63.195 63.100 0.012 0.000 0.794 433 P CB 0.578 32.288 31.700 0.016 0.000 0.959 434 I N -0.086 120.484 120.570 0.000 0.000 2.162 434 I HA -0.179 3.992 4.170 0.002 0.000 0.238 434 I C 1.805 177.916 176.117 -0.010 0.000 1.076 434 I CA 1.647 62.944 61.300 -0.006 0.000 1.353 434 I CB -0.353 37.644 38.000 -0.005 0.000 1.063 434 I HN 0.158 nan 8.210 nan 0.000 0.408 435 V N -2.470 117.437 119.914 -0.011 0.000 2.911 435 V HA 0.651 4.772 4.120 0.002 0.000 0.237 435 V C 0.845 176.932 176.094 -0.011 0.000 1.156 435 V CA 0.348 62.638 62.300 -0.017 0.000 1.180 435 V CB -0.375 31.431 31.823 -0.028 0.000 0.932 435 V HN 0.483 nan 8.190 nan 0.000 0.483 436 G N -0.322 108.476 108.800 -0.003 0.000 2.339 436 G HA2 0.485 4.446 3.960 0.002 0.000 0.381 436 G HA3 0.485 4.446 3.960 0.002 0.000 0.381 436 G C -0.493 174.414 174.900 0.011 0.000 1.400 436 G CA -0.257 44.847 45.100 0.007 0.000 1.002 436 G HN 1.247 nan 8.290 nan 0.000 0.633 437 A N 0.225 123.059 122.820 0.023 0.000 2.639 437 A HA 0.506 4.827 4.320 0.002 0.000 0.295 437 A C 0.686 178.281 177.584 0.019 0.000 1.443 437 A CA 0.776 52.829 52.037 0.026 0.000 1.117 437 A CB -0.365 18.659 19.000 0.040 0.000 1.098 437 A HN 0.816 nan 8.150 nan 0.000 0.552 438 E N 2.592 122.797 120.200 0.010 0.000 2.406 438 E HA 0.019 4.370 4.350 0.002 0.000 0.247 438 E C -0.453 176.169 176.600 0.038 0.000 1.160 438 E CA 0.260 56.661 56.400 0.001 0.000 0.950 438 E CB 0.076 29.760 29.700 -0.027 0.000 0.993 438 E HN 0.517 nan 8.360 nan 0.000 0.472 439 T N 6.511 121.092 114.554 0.045 0.000 3.477 439 T HA 0.082 4.433 4.350 0.002 0.000 0.347 439 T C 0.077 174.858 174.700 0.134 0.000 1.567 439 T CA -0.514 61.635 62.100 0.081 0.000 1.169 439 T CB -0.493 68.410 68.868 0.059 0.000 1.196 439 T HN 0.367 nan 8.240 nan 0.000 0.768 440 F N 0.000 119.952 119.950 0.003 0.000 2.286 440 F HA 0.000 4.528 4.527 0.002 0.000 0.279 440 F CA 0.000 58.002 58.000 0.003 0.000 1.383 440 F CB 0.000 39.001 39.000 0.002 0.000 1.145 440 F HN 0.000 nan 8.300 nan 0.000 0.574