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 2f6d_1_A DATA FIRST_RESID 1 DATA SEQUENCE AYPSFEAYSN YKVDRTDLET FLDKQKEVSL YYLLQNIAYP EGQFNNGVPG DATA SEQUENCE TVIASPSTSN PDYYYQWTRD SAITFLTVLS ELEDNNFNTT LAKAVEYYIN DATA SEQUENCE TSYNLQRTSN PSGSFDDENH KGLGEPKFNT DGSAYTGAWG RPQNDGPALR DATA SEQUENCE AYAISRYLND VNSLNEGKLV LTDSGDINFS STEDIYKNII KPDLEYVIGY DATA SEQUENCE WDSTGFDLWE ENQGRHFFTS LVQQKALAYA VDIAKSFDDG DFANTLSSTA DATA SEQUENCE STLESYLSGS DGGFVNTDVN HIVENPDLLQ QNSRQGLDSA TYIGPLLTHD DATA SEQUENCE IGESSSTPFD VDNEYVLQSY YLLLEDNKDR YSVNSAYSAG AAIGRYPEDV DATA SEQUENCE YNGDGSSEGN PWFLATAYAA QVPYKLAYDA KSASNDITIN KINYDFFNKY DATA SEQUENCE IVDLSTINSA YQSSDSVTIK SGSDEFNTVA DNLVTFGDSF LQVILDHIND DATA SEQUENCE DGSLNEQLNR YTGYSTGAYS LTWSSGALLE AIRLRNKVKA LA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.512 177.584 -0.119 0.000 1.274 1 A CA 0.000 51.874 52.037 -0.271 0.000 0.836 1 A CB 0.000 18.865 19.000 -0.225 0.000 0.831 2 Y N -0.760 119.476 120.300 -0.106 0.000 2.529 2 Y HA 0.498 5.093 4.550 0.076 0.000 0.319 2 Y C -2.316 173.586 175.900 0.002 0.000 1.063 2 Y CA -2.023 56.050 58.100 -0.045 0.000 1.178 2 Y CB 0.172 38.570 38.460 -0.103 0.000 1.123 2 Y HN 0.383 nan 8.280 nan 0.000 0.625 3 P HA -0.179 nan 4.420 nan 0.000 0.218 3 P C 1.509 178.837 177.300 0.046 0.000 1.148 3 P CA 2.064 65.144 63.100 -0.033 0.000 0.822 3 P CB 0.226 31.880 31.700 -0.077 0.000 0.784 4 S N -1.694 114.051 115.700 0.075 0.000 2.562 4 S HA -0.031 4.484 4.470 0.075 0.000 0.221 4 S C 0.587 175.261 174.600 0.123 0.000 0.975 4 S CA -0.558 57.675 58.200 0.055 0.000 0.918 4 S CB -1.341 61.853 63.200 -0.010 0.000 0.772 4 S HN 0.019 nan 8.310 nan 0.000 0.531 5 F N 3.317 123.335 119.950 0.114 0.000 2.578 5 F HA 0.297 4.830 4.527 0.010 0.000 0.376 5 F C 0.139 176.045 175.800 0.177 0.000 1.085 5 F CA -0.263 57.843 58.000 0.178 0.000 1.260 5 F CB 0.376 39.552 39.000 0.294 0.000 1.095 5 F HN 0.156 nan 8.300 nan 0.000 0.573 6 E N 5.442 125.275 120.200 -0.611 0.000 2.185 6 E HA 0.516 4.910 4.350 0.075 0.000 0.261 6 E C -0.631 175.620 176.600 -0.581 0.000 0.879 6 E CA -1.079 55.066 56.400 -0.424 0.000 0.756 6 E CB 1.471 31.082 29.700 -0.147 0.000 1.152 6 E HN 0.790 nan 8.360 nan 0.000 0.416 7 A N 2.672 125.311 122.820 -0.302 0.000 2.445 7 A HA -0.005 4.359 4.320 0.075 0.000 0.242 7 A C -0.098 177.581 177.584 0.158 0.000 1.075 7 A CA -0.020 52.101 52.037 0.139 0.000 0.777 7 A CB 0.219 19.436 19.000 0.362 0.000 1.013 7 A HN 0.765 nan 8.150 nan 0.000 0.493 8 Y N 1.457 121.705 120.300 -0.086 0.000 2.205 8 Y HA 0.018 4.615 4.550 0.079 0.000 0.292 8 Y C 1.531 177.332 175.900 -0.164 0.000 1.119 8 Y CA 0.773 58.583 58.100 -0.484 0.000 1.117 8 Y CB -0.621 37.233 38.460 -1.010 0.000 1.037 8 Y HN 0.749 nan 8.280 nan 0.000 0.510 9 S N 1.985 117.729 115.700 0.074 0.000 3.491 9 S HA -0.204 4.311 4.470 0.075 0.000 0.371 9 S C 0.671 175.199 174.600 -0.119 0.000 0.980 9 S CA 0.716 58.912 58.200 -0.006 0.000 1.204 9 S CB -1.833 61.400 63.200 0.054 0.000 0.915 9 S HN 0.718 nan 8.310 nan 0.000 0.482 10 N N 0.595 119.099 118.700 -0.327 0.000 2.322 10 N HA 0.129 4.914 4.740 0.075 0.000 0.194 10 N C -0.087 175.393 175.510 -0.050 0.000 1.126 10 N CA 0.210 53.066 53.050 -0.322 0.000 0.845 10 N CB -0.147 37.885 38.487 -0.759 0.000 0.976 10 N HN 0.790 nan 8.380 nan 0.000 0.475 11 Y N -2.072 118.112 120.300 -0.194 0.000 2.624 11 Y HA 0.474 5.066 4.550 0.070 0.000 0.334 11 Y C -1.189 174.688 175.900 -0.038 0.000 1.155 11 Y CA -1.847 56.194 58.100 -0.099 0.000 1.046 11 Y CB 0.616 39.021 38.460 -0.090 0.000 1.316 11 Y HN -0.128 nan 8.280 nan 0.000 0.457 12 K N 3.022 123.323 120.400 -0.166 0.000 2.285 12 K HA 0.535 4.899 4.320 0.075 0.000 0.286 12 K C -1.118 175.285 176.600 -0.329 0.000 1.072 12 K CA -0.571 55.568 56.287 -0.247 0.000 0.913 12 K CB 0.755 33.206 32.500 -0.081 0.000 1.067 12 K HN 0.721 nan 8.250 nan 0.000 0.479 13 V N 4.401 124.010 119.914 -0.508 0.000 2.509 13 V HA -0.083 4.082 4.120 0.075 0.000 0.297 13 V C 0.269 176.326 176.094 -0.063 0.000 1.014 13 V CA 0.297 62.436 62.300 -0.269 0.000 1.127 13 V CB 0.553 32.252 31.823 -0.207 0.000 0.925 13 V HN 0.776 nan 8.190 nan 0.000 0.480 14 D N 4.781 125.215 120.400 0.057 0.000 2.427 14 D HA 0.271 4.956 4.640 0.075 0.000 0.226 14 D C 0.970 177.257 176.300 -0.023 0.000 1.076 14 D CA -0.579 53.436 54.000 0.025 0.000 0.849 14 D CB 0.966 41.807 40.800 0.069 0.000 1.052 14 D HN 0.426 nan 8.370 nan 0.000 0.515 15 R N 1.333 121.785 120.500 -0.079 0.000 2.323 15 R HA 0.015 4.400 4.340 0.075 0.000 0.198 15 R C 1.480 177.725 176.300 -0.091 0.000 0.988 15 R CA 0.848 56.864 56.100 -0.139 0.000 1.041 15 R CB 0.124 30.332 30.300 -0.154 0.000 0.926 15 R HN 0.412 nan 8.270 nan 0.000 0.476 16 T N -2.834 111.696 114.554 -0.040 0.000 3.069 16 T HA 0.035 4.430 4.350 0.075 0.000 0.252 16 T C 0.118 174.825 174.700 0.011 0.000 1.053 16 T CA -0.238 61.853 62.100 -0.015 0.000 0.964 16 T CB 0.355 69.220 68.868 -0.005 0.000 1.005 16 T HN -0.133 nan 8.240 nan 0.000 0.532 17 D N 0.710 121.126 120.400 0.027 0.000 2.405 17 D HA 0.239 4.923 4.640 0.075 0.000 0.264 17 D C 0.762 177.131 176.300 0.115 0.000 1.240 17 D CA -0.582 53.457 54.000 0.066 0.000 0.893 17 D CB 0.904 41.751 40.800 0.078 0.000 1.198 17 D HN 0.131 nan 8.370 nan 0.000 0.514 18 L N 2.607 123.894 121.223 0.106 0.000 2.046 18 L HA -0.057 4.328 4.340 0.075 0.000 0.208 18 L C 1.833 178.824 176.870 0.202 0.000 1.077 18 L CA 1.827 56.773 54.840 0.178 0.000 0.747 18 L CB -0.042 42.098 42.059 0.135 0.000 0.896 18 L HN 0.245 nan 8.230 nan 0.000 0.432 19 E N -0.668 119.606 120.200 0.124 0.000 2.051 19 E HA -0.187 4.208 4.350 0.075 0.000 0.192 19 E C 2.115 178.757 176.600 0.071 0.000 0.991 19 E CA 1.920 58.371 56.400 0.085 0.000 0.799 19 E CB -0.680 29.053 29.700 0.056 0.000 0.748 19 E HN 0.529 nan 8.360 nan 0.000 0.449 20 T N 1.469 116.076 114.554 0.088 0.000 2.777 20 T HA -0.128 4.267 4.350 0.075 0.000 0.266 20 T C 1.579 176.322 174.700 0.071 0.000 1.040 20 T CA 1.050 63.186 62.100 0.059 0.000 1.141 20 T CB -0.440 68.474 68.868 0.078 0.000 0.868 20 T HN 0.132 nan 8.240 nan 0.000 0.444 21 F N 2.083 122.049 119.950 0.026 0.000 2.091 21 F HA -0.087 4.484 4.527 0.073 0.000 0.299 21 F C 1.858 177.656 175.800 -0.004 0.000 1.103 21 F CA 1.236 59.272 58.000 0.060 0.000 1.228 21 F CB -0.645 38.419 39.000 0.106 0.000 0.984 21 F HN 0.066 nan 8.300 nan 0.000 0.477 22 L N -0.295 120.870 121.223 -0.097 0.000 2.156 22 L HA -0.169 4.215 4.340 0.075 0.000 0.208 22 L C 2.175 178.919 176.870 -0.209 0.000 1.095 22 L CA 1.103 55.801 54.840 -0.236 0.000 0.770 22 L CB -0.900 41.135 42.059 -0.040 0.000 0.914 22 L HN 0.073 nan 8.230 nan 0.000 0.439 23 D N 0.550 120.863 120.400 -0.145 0.000 2.104 23 D HA -0.187 4.498 4.640 0.075 0.000 0.194 23 D C 2.193 178.357 176.300 -0.226 0.000 0.994 23 D CA 1.383 55.294 54.000 -0.149 0.000 0.830 23 D CB 0.032 40.765 40.800 -0.112 0.000 0.959 23 D HN 0.097 nan 8.370 nan 0.000 0.452 24 K N 0.235 120.426 120.400 -0.349 0.000 2.062 24 K HA 0.014 4.379 4.320 0.075 0.000 0.205 24 K C 2.069 178.430 176.600 -0.398 0.000 1.051 24 K CA 0.676 56.653 56.287 -0.517 0.000 0.941 24 K CB -0.085 31.728 32.500 -1.145 0.000 0.719 24 K HN 0.011 nan 8.250 nan 0.000 0.440 25 Q N 0.507 120.058 119.800 -0.415 0.000 2.291 25 Q HA -0.117 4.268 4.340 0.075 0.000 0.205 25 Q C 1.815 177.716 176.000 -0.165 0.000 0.970 25 Q CA 0.915 56.541 55.803 -0.294 0.000 0.876 25 Q CB -0.054 28.367 28.738 -0.528 0.000 0.935 25 Q HN 0.316 nan 8.270 nan 0.000 0.455 26 K N 1.024 121.324 120.400 -0.167 0.000 2.160 26 K HA -0.193 4.172 4.320 0.075 0.000 0.206 26 K C 1.350 177.922 176.600 -0.047 0.000 1.047 26 K CA 1.453 57.684 56.287 -0.093 0.000 0.930 26 K CB 0.227 32.671 32.500 -0.093 0.000 0.720 26 K HN 0.248 nan 8.250 nan 0.000 0.450 27 E N -0.593 119.579 120.200 -0.047 0.000 2.201 27 E HA -0.048 4.347 4.350 0.075 0.000 0.193 27 E C 1.987 178.646 176.600 0.098 0.000 0.957 27 E CA 0.437 56.851 56.400 0.022 0.000 0.858 27 E CB 0.346 30.057 29.700 0.019 0.000 0.816 27 E HN 0.045 nan 8.360 nan 0.000 0.475 28 V N 1.211 121.170 119.914 0.075 0.000 2.379 28 V HA -0.190 3.975 4.120 0.075 0.000 0.245 28 V C 2.208 178.416 176.094 0.191 0.000 1.044 28 V CA 1.736 64.135 62.300 0.165 0.000 1.036 28 V CB -0.241 31.680 31.823 0.165 0.000 0.664 28 V HN 0.169 nan 8.190 nan 0.000 0.453 29 S N 0.014 115.819 115.700 0.175 0.000 2.402 29 S HA -0.128 4.387 4.470 0.075 0.000 0.229 29 S C 1.837 176.532 174.600 0.159 0.000 1.021 29 S CA 1.337 59.665 58.200 0.213 0.000 0.974 29 S CB -0.308 62.952 63.200 0.101 0.000 0.800 29 S HN 0.429 nan 8.310 nan 0.000 0.484 30 L N 0.886 122.165 121.223 0.093 0.000 2.056 30 L HA -0.050 4.335 4.340 0.075 0.000 0.207 30 L C 1.962 178.866 176.870 0.057 0.000 1.078 30 L CA 1.733 56.605 54.840 0.053 0.000 0.749 30 L CB -0.981 41.093 42.059 0.025 0.000 0.901 30 L HN 0.394 nan 8.230 nan 0.000 0.433 31 Y N -1.077 119.161 120.300 -0.102 0.000 2.114 31 Y HA -0.379 4.230 4.550 0.098 0.000 0.282 31 Y C 2.215 178.019 175.900 -0.160 0.000 1.165 31 Y CA 2.278 60.236 58.100 -0.238 0.000 1.148 31 Y CB -0.459 37.696 38.460 -0.508 0.000 0.972 31 Y HN 0.280 nan 8.280 nan 0.000 0.504 32 Y N -0.459 119.949 120.300 0.181 0.000 2.314 32 Y HA -0.159 4.421 4.550 0.050 0.000 0.293 32 Y C 2.309 178.221 175.900 0.020 0.000 1.129 32 Y CA 1.186 59.348 58.100 0.103 0.000 1.201 32 Y CB -0.804 37.786 38.460 0.216 0.000 0.999 32 Y HN 0.285 nan 8.280 nan 0.000 0.541 33 L N -0.576 120.742 121.223 0.158 0.000 2.005 33 L HA -0.184 4.201 4.340 0.075 0.000 0.207 33 L C 2.011 178.888 176.870 0.012 0.000 1.072 33 L CA 1.549 56.427 54.840 0.063 0.000 0.744 33 L CB -0.496 41.571 42.059 0.013 0.000 0.895 33 L HN 0.139 nan 8.230 nan 0.000 0.433 34 L N -0.596 120.617 121.223 -0.018 0.000 2.191 34 L HA -0.223 4.161 4.340 0.075 0.000 0.212 34 L C 2.629 179.540 176.870 0.069 0.000 1.103 34 L CA 1.278 56.133 54.840 0.025 0.000 0.769 34 L CB -0.563 41.514 42.059 0.031 0.000 0.908 34 L HN 0.495 nan 8.230 nan 0.000 0.438 35 Q N 0.659 120.416 119.800 -0.073 0.000 2.226 35 Q HA -0.202 4.183 4.340 0.075 0.000 0.204 35 Q C 1.353 177.396 176.000 0.071 0.000 0.975 35 Q CA 1.503 57.250 55.803 -0.094 0.000 0.866 35 Q CB 0.020 28.626 28.738 -0.220 0.000 0.915 35 Q HN 0.618 nan 8.270 nan 0.000 0.440 36 N N -0.522 118.254 118.700 0.126 0.000 2.336 36 N HA 0.162 4.947 4.740 0.075 0.000 0.189 36 N C -0.598 175.125 175.510 0.354 0.000 1.113 36 N CA -0.232 52.927 53.050 0.183 0.000 0.858 36 N CB 0.571 39.135 38.487 0.128 0.000 0.970 36 N HN 0.159 nan 8.380 nan 0.000 0.471 37 I N 1.219 122.000 120.570 0.352 0.000 2.339 37 I HA 0.305 4.520 4.170 0.075 0.000 0.290 37 I C -0.063 176.242 176.117 0.314 0.000 0.994 37 I CA -0.867 60.621 61.300 0.312 0.000 1.191 37 I CB 1.531 39.642 38.000 0.185 0.000 1.343 37 I HN -0.078 nan 8.210 nan 0.000 0.458 38 A N 7.841 130.593 122.820 -0.114 0.000 2.404 38 A HA 0.504 4.868 4.320 0.075 0.000 0.273 38 A C -0.826 176.704 177.584 -0.089 0.000 1.144 38 A CA 0.175 51.861 52.037 -0.584 0.000 0.806 38 A CB -0.334 18.023 19.000 -1.073 0.000 1.080 38 A HN 0.722 nan 8.150 nan 0.000 0.509 39 Y N 0.520 120.668 120.300 -0.253 0.000 2.552 39 Y HA 0.585 5.169 4.550 0.057 0.000 0.337 39 Y C -2.760 173.016 175.900 -0.207 0.000 1.094 39 Y CA -2.485 55.462 58.100 -0.255 0.000 1.028 39 Y CB 0.856 39.287 38.460 -0.047 0.000 1.321 39 Y HN 0.370 nan 8.280 nan 0.000 0.456 40 P HA -0.136 nan 4.420 nan 0.000 0.218 40 P C 0.401 177.614 177.300 -0.146 0.000 1.148 40 P CA 1.926 64.925 63.100 -0.168 0.000 0.822 40 P CB 0.308 31.955 31.700 -0.088 0.000 0.784 41 E N -0.777 119.384 120.200 -0.066 0.000 2.489 41 E HA 0.146 4.541 4.350 0.075 0.000 0.193 41 E C 1.228 177.653 176.600 -0.292 0.000 1.057 41 E CA -0.196 56.177 56.400 -0.044 0.000 0.866 41 E CB -0.059 29.748 29.700 0.178 0.000 0.916 41 E HN 0.217 nan 8.360 nan 0.000 0.500 42 G N 0.302 108.559 108.800 -0.904 0.000 2.557 42 G HA2 0.034 4.039 3.960 0.075 0.000 0.302 42 G HA3 0.034 4.039 3.960 0.075 0.000 0.302 42 G C 0.432 175.059 174.900 -0.455 0.000 1.311 42 G CA -0.377 44.120 45.100 -1.005 0.000 1.030 42 G HN -0.022 nan 8.290 nan 0.000 0.509 43 Q N -1.119 118.491 119.800 -0.318 0.000 2.119 43 Q HA -0.051 4.334 4.340 0.075 0.000 0.201 43 Q C 0.704 176.669 176.000 -0.058 0.000 0.972 43 Q CA 0.761 56.458 55.803 -0.176 0.000 0.847 43 Q CB -0.007 28.606 28.738 -0.208 0.000 0.903 43 Q HN 0.339 nan 8.270 nan 0.000 0.433 44 F N 2.961 122.764 119.950 -0.245 0.000 2.669 44 F HA 0.110 4.710 4.527 0.121 0.000 0.353 44 F C 0.706 176.399 175.800 -0.179 0.000 1.192 44 F CA -0.902 57.011 58.000 -0.145 0.000 1.317 44 F CB -1.077 37.875 39.000 -0.080 0.000 1.652 44 F HN 0.136 nan 8.300 nan 0.000 0.608 45 N N -0.132 118.577 118.700 0.015 0.000 2.336 45 N HA -0.087 4.698 4.740 0.075 0.000 0.189 45 N C 0.463 175.938 175.510 -0.058 0.000 1.113 45 N CA 0.205 53.187 53.050 -0.113 0.000 0.858 45 N CB -0.109 38.303 38.487 -0.125 0.000 0.970 45 N HN 0.287 nan 8.380 nan 0.000 0.471 46 N N 0.476 119.217 118.700 0.068 0.000 2.236 46 N HA 0.100 4.885 4.740 0.075 0.000 0.196 46 N C 0.508 176.059 175.510 0.069 0.000 1.114 46 N CA -0.188 52.906 53.050 0.073 0.000 0.859 46 N CB 0.060 38.616 38.487 0.116 0.000 0.982 46 N HN 0.163 nan 8.380 nan 0.000 0.493 47 G N 0.001 108.746 108.800 -0.091 0.000 2.488 47 G HA2 0.465 4.470 3.960 0.075 0.000 0.318 47 G HA3 0.465 4.470 3.960 0.075 0.000 0.318 47 G C -0.651 174.069 174.900 -0.301 0.000 1.188 47 G CA -0.600 44.346 45.100 -0.255 0.000 0.944 47 G HN 0.019 nan 8.290 nan 0.000 0.495 48 V N 2.466 122.256 119.914 -0.207 0.000 2.458 48 V HA 0.072 4.237 4.120 0.075 0.000 0.287 48 V C -1.690 174.260 176.094 -0.240 0.000 1.009 48 V CA -0.666 61.531 62.300 -0.172 0.000 1.091 48 V CB 0.682 32.451 31.823 -0.091 0.000 0.960 48 V HN 0.482 nan 8.190 nan 0.000 0.476 49 P HA 0.177 nan 4.420 nan 0.000 0.264 49 P C 0.997 178.236 177.300 -0.102 0.000 1.183 49 P CA 1.491 64.383 63.100 -0.347 0.000 0.763 49 P CB 0.539 31.763 31.700 -0.793 0.000 0.807 50 G N 1.465 110.277 108.800 0.019 0.000 2.194 50 G HA2 -0.203 3.802 3.960 0.075 0.000 0.236 50 G HA3 -0.203 3.802 3.960 0.075 0.000 0.236 50 G C 0.245 175.240 174.900 0.159 0.000 0.987 50 G CA -0.088 45.104 45.100 0.154 0.000 0.635 50 G HN 0.583 nan 8.290 nan 0.000 0.520 51 T N 1.377 115.951 114.554 0.033 0.000 2.794 51 T HA 0.500 4.895 4.350 0.075 0.000 0.296 51 T C 0.239 175.016 174.700 0.128 0.000 0.949 51 T CA 0.021 62.152 62.100 0.053 0.000 1.101 51 T CB 2.192 71.030 68.868 -0.050 0.000 0.905 51 T HN 0.471 nan 8.240 nan 0.000 0.516 52 V N 6.101 126.139 119.914 0.207 0.000 2.384 52 V HA 0.407 4.572 4.120 0.075 0.000 0.287 52 V C 0.479 176.699 176.094 0.210 0.000 1.020 52 V CA -1.032 61.401 62.300 0.221 0.000 0.850 52 V CB 0.905 32.847 31.823 0.199 0.000 0.987 52 V HN 0.802 nan 8.190 nan 0.000 0.436 53 I N 2.259 122.944 120.570 0.193 0.000 2.519 53 I HA 0.606 4.821 4.170 0.075 0.000 0.287 53 I C 1.371 177.598 176.117 0.184 0.000 1.047 53 I CA -0.288 61.068 61.300 0.093 0.000 1.381 53 I CB 1.429 39.302 38.000 -0.212 0.000 1.417 53 I HN 0.571 nan 8.210 nan 0.000 0.540 54 A N 4.229 127.229 122.820 0.299 0.000 2.015 54 A HA 0.046 4.411 4.320 0.075 0.000 0.219 54 A C 1.183 178.919 177.584 0.252 0.000 1.163 54 A CA 1.440 53.639 52.037 0.270 0.000 0.646 54 A CB -0.304 18.790 19.000 0.156 0.000 0.806 54 A HN 0.926 nan 8.150 nan 0.000 0.448 55 S N -2.619 113.237 115.700 0.260 0.000 2.558 55 S HA 0.416 4.930 4.470 0.075 0.000 0.277 55 S C -2.814 171.926 174.600 0.233 0.000 1.143 55 S CA -0.334 57.990 58.200 0.208 0.000 0.865 55 S CB 1.552 64.868 63.200 0.194 0.000 1.102 55 S HN -0.061 nan 8.310 nan 0.000 0.454 56 P HA 0.083 nan 4.420 nan 0.000 0.234 56 P C 0.111 177.646 177.300 0.392 0.000 1.167 56 P CA 0.199 63.512 63.100 0.355 0.000 0.763 56 P CB -0.242 31.666 31.700 0.346 0.000 0.835 57 S N 0.503 116.394 115.700 0.318 0.000 2.498 57 S HA 0.133 4.647 4.470 0.075 0.000 0.281 57 S C 1.457 176.245 174.600 0.312 0.000 1.265 57 S CA 0.273 58.648 58.200 0.293 0.000 1.071 57 S CB 0.148 63.455 63.200 0.178 0.000 0.894 57 S HN 0.316 nan 8.310 nan 0.000 0.491 58 T N -1.038 113.641 114.554 0.209 0.000 3.023 58 T HA 0.250 4.645 4.350 0.075 0.000 0.253 58 T C 0.416 175.203 174.700 0.145 0.000 1.038 58 T CA -0.066 62.123 62.100 0.148 0.000 0.962 58 T CB -0.032 68.822 68.868 -0.022 0.000 1.018 58 T HN 0.576 nan 8.240 nan 0.000 0.521 59 S N 1.010 116.792 115.700 0.137 0.000 2.533 59 S HA 0.503 5.018 4.470 0.075 0.000 0.271 59 S C -0.865 173.803 174.600 0.113 0.000 1.143 59 S CA -0.964 57.310 58.200 0.124 0.000 0.891 59 S CB 1.040 64.279 63.200 0.065 0.000 1.105 59 S HN 0.169 nan 8.310 nan 0.000 0.468 60 N N 1.077 119.849 118.700 0.120 0.000 2.696 60 N HA -0.086 4.699 4.740 0.075 0.000 0.256 60 N C -2.572 172.965 175.510 0.045 0.000 1.031 60 N CA 1.056 54.155 53.050 0.080 0.000 0.730 60 N CB -1.158 37.355 38.487 0.044 0.000 0.894 60 N HN 0.701 nan 8.380 nan 0.000 0.544 61 P HA 0.254 nan 4.420 nan 0.000 0.284 61 P C -0.616 176.860 177.300 0.294 0.000 1.287 61 P CA -0.259 62.955 63.100 0.191 0.000 0.824 61 P CB 1.012 32.847 31.700 0.225 0.000 1.180 62 D N 0.065 120.734 120.400 0.448 0.000 2.441 62 D HA 0.125 4.809 4.640 0.075 0.000 0.221 62 D C -0.750 176.061 176.300 0.852 0.000 1.156 62 D CA -0.244 54.072 54.000 0.528 0.000 0.896 62 D CB -0.493 40.588 40.800 0.469 0.000 1.028 62 D HN 0.127 nan 8.370 nan 0.000 0.509 63 Y N 2.614 123.213 120.300 0.498 0.000 2.607 63 Y HA 0.153 4.731 4.550 0.046 0.000 0.266 63 Y C -0.198 176.065 175.900 0.604 0.000 1.178 63 Y CA -0.721 57.765 58.100 0.644 0.000 1.226 63 Y CB -0.522 38.166 38.460 0.379 0.000 1.144 63 Y HN 0.429 nan 8.280 nan 0.000 0.528 64 Y N 1.205 121.699 120.300 0.323 0.000 2.667 64 Y HA 0.301 4.926 4.550 0.124 0.000 0.340 64 Y C -1.185 174.477 175.900 -0.397 0.000 1.303 64 Y CA -0.236 57.874 58.100 0.017 0.000 1.769 64 Y CB -0.796 37.622 38.460 -0.070 0.000 1.804 64 Y HN 0.034 nan 8.280 nan 0.000 0.451 65 Y N 0.007 120.384 120.300 0.129 0.000 2.655 65 Y HA 0.275 4.871 4.550 0.076 0.000 0.336 65 Y C -0.959 174.973 175.900 0.052 0.000 1.154 65 Y CA -1.614 56.442 58.100 -0.075 0.000 1.055 65 Y CB 1.418 39.519 38.460 -0.599 0.000 1.295 65 Y HN 0.225 nan 8.280 nan 0.000 0.465 66 Q N 1.302 121.195 119.800 0.154 0.000 2.372 66 Q HA 0.320 4.705 4.340 0.075 0.000 0.259 66 Q C -1.559 174.562 176.000 0.202 0.000 0.993 66 Q CA -0.544 55.401 55.803 0.236 0.000 0.854 66 Q CB 1.506 30.357 28.738 0.189 0.000 1.231 66 Q HN 0.604 nan 8.270 nan 0.000 0.462 67 W N 2.636 123.988 121.300 0.087 0.000 2.365 67 W HA 0.149 4.837 4.660 0.047 0.000 0.316 67 W C 0.727 177.301 176.519 0.092 0.000 1.164 67 W CA -0.514 56.866 57.345 0.058 0.000 1.204 67 W CB 2.068 31.550 29.460 0.037 0.000 1.213 67 W HN 0.757 nan 8.180 nan 0.000 0.539 68 T N 1.919 116.655 114.554 0.304 0.000 2.720 68 T HA -0.252 4.143 4.350 0.075 0.000 0.268 68 T C 2.016 176.828 174.700 0.186 0.000 1.037 68 T CA 1.371 63.610 62.100 0.231 0.000 1.144 68 T CB -0.091 68.885 68.868 0.180 0.000 0.864 68 T HN 0.409 nan 8.240 nan 0.000 0.444 69 R N 1.192 121.788 120.500 0.161 0.000 2.082 69 R HA -0.157 4.228 4.340 0.075 0.000 0.234 69 R C 1.865 178.091 176.300 -0.122 0.000 1.136 69 R CA 2.319 58.428 56.100 0.015 0.000 0.935 69 R CB -0.447 29.841 30.300 -0.021 0.000 0.842 69 R HN 0.268 nan 8.270 nan 0.000 0.430 70 D N 0.083 120.427 120.400 -0.094 0.000 2.149 70 D HA -0.109 4.576 4.640 0.075 0.000 0.198 70 D C 2.014 178.282 176.300 -0.053 0.000 0.990 70 D CA 1.748 55.648 54.000 -0.168 0.000 0.839 70 D CB -0.116 40.690 40.800 0.011 0.000 0.948 70 D HN 0.198 nan 8.370 nan 0.000 0.460 71 S N 0.114 115.867 115.700 0.088 0.000 2.368 71 S HA -0.140 4.375 4.470 0.075 0.000 0.225 71 S C 2.105 176.714 174.600 0.015 0.000 1.030 71 S CA 1.065 59.329 58.200 0.108 0.000 0.999 71 S CB -0.369 62.998 63.200 0.277 0.000 0.844 71 S HN 0.383 nan 8.310 nan 0.000 0.459 72 A N 1.465 124.332 122.820 0.078 0.000 1.877 72 A HA -0.013 4.351 4.320 0.075 0.000 0.216 72 A C 2.085 179.659 177.584 -0.017 0.000 1.186 72 A CA 1.156 53.241 52.037 0.080 0.000 0.620 72 A CB -0.706 18.372 19.000 0.130 0.000 0.822 72 A HN 0.475 nan 8.150 nan 0.000 0.443 73 I N -0.514 119.997 120.570 -0.100 0.000 2.226 73 I HA -0.216 3.999 4.170 0.075 0.000 0.245 73 I C 2.569 178.628 176.117 -0.096 0.000 1.100 73 I CA 1.643 62.869 61.300 -0.124 0.000 1.374 73 I CB -0.650 37.132 38.000 -0.363 0.000 1.057 73 I HN 0.251 nan 8.210 nan 0.000 0.413 74 T N 0.829 115.297 114.554 -0.143 0.000 2.684 74 T HA -0.205 4.190 4.350 0.075 0.000 0.267 74 T C 1.622 176.106 174.700 -0.359 0.000 1.036 74 T CA 1.727 63.700 62.100 -0.213 0.000 1.148 74 T CB -0.411 68.311 68.868 -0.243 0.000 0.863 74 T HN 0.181 nan 8.240 nan 0.000 0.436 75 F N 0.723 120.504 119.950 -0.281 0.000 2.407 75 F HA 0.156 4.732 4.527 0.081 0.000 0.299 75 F C 1.990 177.679 175.800 -0.185 0.000 1.097 75 F CA 0.407 58.221 58.000 -0.311 0.000 1.422 75 F CB -0.430 38.221 39.000 -0.580 0.000 1.067 75 F HN 0.092 nan 8.300 nan 0.000 0.539 76 L N -0.990 120.217 121.223 -0.027 0.000 2.083 76 L HA -0.220 4.164 4.340 0.075 0.000 0.209 76 L C 2.359 179.219 176.870 -0.016 0.000 1.083 76 L CA 1.415 56.237 54.840 -0.029 0.000 0.752 76 L CB -1.049 41.014 42.059 0.007 0.000 0.899 76 L HN 0.067 nan 8.230 nan 0.000 0.433 77 T N -0.571 113.960 114.554 -0.039 0.000 2.777 77 T HA -0.132 4.263 4.350 0.075 0.000 0.266 77 T C 2.021 176.670 174.700 -0.085 0.000 1.040 77 T CA 1.215 63.290 62.100 -0.042 0.000 1.141 77 T CB -0.099 68.744 68.868 -0.041 0.000 0.868 77 T HN 0.045 nan 8.240 nan 0.000 0.444 78 V N 1.635 121.445 119.914 -0.173 0.000 2.332 78 V HA -0.153 4.012 4.120 0.075 0.000 0.248 78 V C 2.456 178.514 176.094 -0.061 0.000 1.055 78 V CA 1.540 63.733 62.300 -0.179 0.000 1.038 78 V CB -0.683 30.931 31.823 -0.350 0.000 0.651 78 V HN 0.436 nan 8.190 nan 0.000 0.450 79 L N -0.365 120.856 121.223 -0.004 0.000 2.056 79 L HA -0.140 4.245 4.340 0.075 0.000 0.207 79 L C 2.640 179.528 176.870 0.031 0.000 1.078 79 L CA 1.606 56.471 54.840 0.042 0.000 0.749 79 L CB -0.616 41.477 42.059 0.057 0.000 0.901 79 L HN 0.289 nan 8.230 nan 0.000 0.433 80 S N -0.569 115.141 115.700 0.017 0.000 2.370 80 S HA -0.172 4.343 4.470 0.075 0.000 0.226 80 S C 1.864 176.471 174.600 0.012 0.000 1.033 80 S CA 1.151 59.365 58.200 0.024 0.000 1.011 80 S CB -0.194 63.020 63.200 0.023 0.000 0.852 80 S HN 0.401 nan 8.310 nan 0.000 0.457 81 E N 0.990 121.183 120.200 -0.012 0.000 2.051 81 E HA -0.098 4.297 4.350 0.075 0.000 0.192 81 E C 2.183 178.772 176.600 -0.018 0.000 0.991 81 E CA 0.655 57.042 56.400 -0.021 0.000 0.799 81 E CB -0.571 29.101 29.700 -0.046 0.000 0.748 81 E HN 0.385 nan 8.360 nan 0.000 0.449 82 L N 1.729 122.933 121.223 -0.032 0.000 2.042 82 L HA -0.217 4.168 4.340 0.075 0.000 0.210 82 L C 2.015 178.898 176.870 0.021 0.000 1.076 82 L CA 1.875 56.683 54.840 -0.053 0.000 0.749 82 L CB -0.211 41.793 42.059 -0.092 0.000 0.893 82 L HN 0.037 nan 8.230 nan 0.000 0.432 83 E N -0.631 119.603 120.200 0.057 0.000 2.047 83 E HA -0.212 4.183 4.350 0.075 0.000 0.191 83 E C 1.825 178.468 176.600 0.071 0.000 0.987 83 E CA 1.332 57.786 56.400 0.090 0.000 0.799 83 E CB -0.171 29.583 29.700 0.090 0.000 0.752 83 E HN 0.511 nan 8.360 nan 0.000 0.449 84 D N 0.534 120.961 120.400 0.046 0.000 2.218 84 D HA -0.100 4.585 4.640 0.075 0.000 0.204 84 D C 1.011 177.334 176.300 0.038 0.000 0.976 84 D CA 0.767 54.789 54.000 0.036 0.000 0.853 84 D CB -0.204 40.608 40.800 0.019 0.000 0.939 84 D HN 0.064 nan 8.370 nan 0.000 0.481 85 N N 0.801 119.523 118.700 0.037 0.000 2.314 85 N HA -0.047 4.738 4.740 0.075 0.000 0.200 85 N C -0.106 175.447 175.510 0.072 0.000 1.135 85 N CA 0.007 53.081 53.050 0.040 0.000 0.835 85 N CB -0.205 38.293 38.487 0.018 0.000 0.989 85 N HN 0.019 nan 8.380 nan 0.000 0.478 86 N N 0.730 119.486 118.700 0.093 0.000 2.714 86 N HA -0.282 4.503 4.740 0.075 0.000 0.252 86 N C -1.060 174.590 175.510 0.233 0.000 1.014 86 N CA 0.263 53.394 53.050 0.133 0.000 0.735 86 N CB -1.791 36.752 38.487 0.094 0.000 0.924 86 N HN 0.366 nan 8.380 nan 0.000 0.540 87 F N -1.767 118.206 119.950 0.038 0.000 2.423 87 F HA -0.266 4.309 4.527 0.080 0.000 0.403 87 F C 0.139 175.968 175.800 0.049 0.000 1.142 87 F CA 0.460 58.489 58.000 0.048 0.000 1.321 87 F CB -0.845 38.176 39.000 0.035 0.000 1.934 87 F HN 0.408 nan 8.300 nan 0.000 0.782 88 N N 2.948 121.620 118.700 -0.047 0.000 2.452 88 N HA 0.042 4.827 4.740 0.075 0.000 0.266 88 N C 1.134 176.582 175.510 -0.104 0.000 1.209 88 N CA 1.062 54.088 53.050 -0.040 0.000 0.929 88 N CB 1.391 39.841 38.487 -0.062 0.000 1.063 88 N HN 0.538 nan 8.380 nan 0.000 0.472 89 T N 2.756 117.324 114.554 0.024 0.000 2.788 89 T HA -0.121 4.274 4.350 0.075 0.000 0.268 89 T C 1.584 176.283 174.700 -0.002 0.000 1.044 89 T CA 1.783 63.910 62.100 0.045 0.000 1.139 89 T CB -0.150 68.777 68.868 0.098 0.000 0.867 89 T HN 0.596 nan 8.240 nan 0.000 0.454 90 T N 2.398 116.953 114.554 0.001 0.000 2.684 90 T HA 0.010 4.405 4.350 0.075 0.000 0.267 90 T C 1.957 176.606 174.700 -0.086 0.000 1.036 90 T CA 0.954 63.060 62.100 0.010 0.000 1.148 90 T CB -0.432 68.462 68.868 0.042 0.000 0.863 90 T HN 0.263 nan 8.240 nan 0.000 0.436 91 L N 0.552 121.694 121.223 -0.136 0.000 2.093 91 L HA -0.026 4.359 4.340 0.075 0.000 0.208 91 L C 3.066 179.821 176.870 -0.192 0.000 1.085 91 L CA 1.068 55.791 54.840 -0.194 0.000 0.755 91 L CB -0.698 41.255 42.059 -0.177 0.000 0.904 91 L HN 0.249 nan 8.230 nan 0.000 0.435 92 A N 0.286 122.963 122.820 -0.239 0.000 1.933 92 A HA -0.227 4.138 4.320 0.075 0.000 0.218 92 A C 2.311 179.825 177.584 -0.117 0.000 1.175 92 A CA 1.663 53.574 52.037 -0.210 0.000 0.628 92 A CB -0.332 18.504 19.000 -0.274 0.000 0.814 92 A HN 0.316 nan 8.150 nan 0.000 0.444 93 K N -0.356 120.004 120.400 -0.066 0.000 2.057 93 K HA -0.070 4.295 4.320 0.075 0.000 0.207 93 K C 2.309 178.896 176.600 -0.021 0.000 1.049 93 K CA 1.101 57.347 56.287 -0.068 0.000 0.931 93 K CB -0.332 32.198 32.500 0.049 0.000 0.714 93 K HN 0.450 nan 8.250 nan 0.000 0.440 94 A N 1.060 123.869 122.820 -0.019 0.000 1.902 94 A HA -0.129 4.235 4.320 0.075 0.000 0.217 94 A C 2.367 179.991 177.584 0.067 0.000 1.181 94 A CA 1.467 53.529 52.037 0.041 0.000 0.623 94 A CB -0.651 18.177 19.000 -0.286 0.000 0.818 94 A HN 0.074 nan 8.150 nan 0.000 0.443 95 V N 0.133 119.986 119.914 -0.102 0.000 2.343 95 V HA -0.264 3.901 4.120 0.075 0.000 0.247 95 V C 2.357 178.178 176.094 -0.455 0.000 1.051 95 V CA 2.246 64.282 62.300 -0.440 0.000 1.036 95 V CB -0.882 30.519 31.823 -0.704 0.000 0.654 95 V HN 0.629 nan 8.190 nan 0.000 0.451 96 E N -1.065 118.925 120.200 -0.350 0.000 2.150 96 E HA -0.181 4.214 4.350 0.075 0.000 0.193 96 E C 2.131 178.704 176.600 -0.044 0.000 0.985 96 E CA 1.272 57.576 56.400 -0.160 0.000 0.814 96 E CB -0.210 29.480 29.700 -0.017 0.000 0.752 96 E HN 0.728 nan 8.360 nan 0.000 0.466 97 Y N -0.535 119.753 120.300 -0.021 0.000 2.224 97 Y HA -0.285 4.311 4.550 0.078 0.000 0.289 97 Y C 2.342 178.215 175.900 -0.046 0.000 1.146 97 Y CA 1.306 59.398 58.100 -0.015 0.000 1.182 97 Y CB -0.204 38.263 38.460 0.012 0.000 0.983 97 Y HN 0.176 nan 8.280 nan 0.000 0.524 98 Y N 0.414 120.629 120.300 -0.142 0.000 2.242 98 Y HA -0.223 4.376 4.550 0.081 0.000 0.291 98 Y C 1.949 177.698 175.900 -0.250 0.000 1.137 98 Y CA 1.128 59.031 58.100 -0.328 0.000 1.181 98 Y CB -0.652 37.200 38.460 -1.013 0.000 0.989 98 Y HN 0.062 nan 8.280 nan 0.000 0.527 99 I N 0.498 120.800 120.570 -0.447 0.000 2.226 99 I HA -0.319 3.896 4.170 0.075 0.000 0.245 99 I C 2.266 178.316 176.117 -0.112 0.000 1.100 99 I CA 1.872 62.923 61.300 -0.415 0.000 1.374 99 I CB -0.525 37.252 38.000 -0.371 0.000 1.057 99 I HN 0.289 nan 8.210 nan 0.000 0.413 100 N N 0.396 119.158 118.700 0.104 0.000 2.142 100 N HA -0.163 4.622 4.740 0.075 0.000 0.186 100 N C 1.758 177.281 175.510 0.022 0.000 1.023 100 N CA 1.894 55.015 53.050 0.117 0.000 0.852 100 N CB -0.111 38.392 38.487 0.026 0.000 0.998 100 N HN 0.112 nan 8.380 nan 0.000 0.424 101 T N -0.759 113.777 114.554 -0.031 0.000 2.788 101 T HA -0.048 4.347 4.350 0.075 0.000 0.268 101 T C 1.898 176.509 174.700 -0.149 0.000 1.044 101 T CA 1.303 63.362 62.100 -0.068 0.000 1.139 101 T CB -0.338 68.507 68.868 -0.038 0.000 0.867 101 T HN 0.214 nan 8.240 nan 0.000 0.454 102 S N 0.428 115.980 115.700 -0.247 0.000 2.368 102 S HA -0.120 4.394 4.470 0.075 0.000 0.225 102 S C 1.656 176.143 174.600 -0.188 0.000 1.030 102 S CA 1.073 59.096 58.200 -0.295 0.000 0.999 102 S CB -0.517 62.392 63.200 -0.485 0.000 0.844 102 S HN 0.635 nan 8.310 nan 0.000 0.459 103 Y N 3.309 123.474 120.300 -0.225 0.000 2.114 103 Y HA -0.241 4.352 4.550 0.072 0.000 0.282 103 Y C 2.076 177.836 175.900 -0.233 0.000 1.165 103 Y CA 1.814 59.796 58.100 -0.198 0.000 1.148 103 Y CB -0.510 37.877 38.460 -0.121 0.000 0.972 103 Y HN 0.199 nan 8.280 nan 0.000 0.504 104 N N 0.340 119.037 118.700 -0.004 0.000 2.142 104 N HA -0.163 4.622 4.740 0.075 0.000 0.186 104 N C 1.957 177.303 175.510 -0.272 0.000 1.023 104 N CA 1.682 54.666 53.050 -0.110 0.000 0.852 104 N CB -0.534 37.924 38.487 -0.047 0.000 0.998 104 N HN 0.423 nan 8.380 nan 0.000 0.424 105 L N 1.245 122.255 121.223 -0.355 0.000 2.056 105 L HA -0.149 4.236 4.340 0.075 0.000 0.207 105 L C 2.375 178.996 176.870 -0.415 0.000 1.078 105 L CA 1.045 55.524 54.840 -0.603 0.000 0.749 105 L CB -0.445 41.139 42.059 -0.792 0.000 0.901 105 L HN 0.179 nan 8.230 nan 0.000 0.433 106 Q N 0.050 119.668 119.800 -0.303 0.000 2.135 106 Q HA -0.215 4.170 4.340 0.075 0.000 0.204 106 Q C 1.894 177.814 176.000 -0.133 0.000 0.981 106 Q CA 1.499 57.207 55.803 -0.159 0.000 0.856 106 Q CB -0.065 28.557 28.738 -0.193 0.000 0.902 106 Q HN 0.449 nan 8.270 nan 0.000 0.425 107 R N -0.087 120.189 120.500 -0.373 0.000 2.320 107 R HA 0.094 4.479 4.340 0.075 0.000 0.211 107 R C -0.133 176.082 176.300 -0.142 0.000 0.931 107 R CA 0.149 56.031 56.100 -0.365 0.000 1.071 107 R CB 0.550 30.483 30.300 -0.613 0.000 1.025 107 R HN -0.048 nan 8.270 nan 0.000 0.495 108 T N 0.810 115.318 114.554 -0.077 0.000 2.733 108 T HA 0.214 4.609 4.350 0.075 0.000 0.294 108 T C 0.036 174.813 174.700 0.129 0.000 0.956 108 T CA -0.280 61.832 62.100 0.020 0.000 0.987 108 T CB 1.583 70.454 68.868 0.005 0.000 0.920 108 T HN -0.000 nan 8.240 nan 0.000 0.470 109 S N 4.141 119.899 115.700 0.096 0.000 2.562 109 S HA 0.373 4.888 4.470 0.075 0.000 0.281 109 S C 0.539 175.195 174.600 0.093 0.000 1.333 109 S CA -0.632 57.624 58.200 0.094 0.000 1.052 109 S CB 0.171 63.409 63.200 0.063 0.000 0.884 109 S HN 0.935 nan 8.310 nan 0.000 0.506 110 N N 1.009 119.744 118.700 0.058 0.000 3.039 110 N HA 0.453 5.238 4.740 0.075 0.000 0.257 110 N C -3.049 172.443 175.510 -0.030 0.000 1.497 110 N CA -1.549 51.496 53.050 -0.008 0.000 0.861 110 N CB 0.285 38.731 38.487 -0.070 0.000 1.479 110 N HN 0.053 nan 8.380 nan 0.000 0.547 111 P HA 0.003 nan 4.420 nan 0.000 0.222 111 P C 0.450 177.739 177.300 -0.018 0.000 1.147 111 P CA 1.089 64.166 63.100 -0.038 0.000 0.790 111 P CB 0.142 31.813 31.700 -0.048 0.000 0.780 112 S N -1.619 114.062 115.700 -0.031 0.000 2.461 112 S HA 0.307 4.822 4.470 0.075 0.000 0.228 112 S C 1.190 175.791 174.600 0.003 0.000 1.005 112 S CA 0.923 59.116 58.200 -0.011 0.000 0.942 112 S CB -0.275 62.907 63.200 -0.030 0.000 0.776 112 S HN 0.414 nan 8.310 nan 0.000 0.514 113 G N 0.707 109.516 108.800 0.015 0.000 2.278 113 G HA2 0.253 4.258 3.960 0.075 0.000 0.265 113 G HA3 0.253 4.258 3.960 0.075 0.000 0.265 113 G C -0.923 174.017 174.900 0.067 0.000 1.329 113 G CA -0.328 44.795 45.100 0.039 0.000 1.017 113 G HN 0.744 nan 8.290 nan 0.000 0.472 114 S N -1.625 114.130 115.700 0.091 0.000 2.697 114 S HA 0.699 5.214 4.470 0.075 0.000 0.289 114 S C 0.574 175.288 174.600 0.189 0.000 1.149 114 S CA 0.207 58.487 58.200 0.132 0.000 0.850 114 S CB 1.815 65.082 63.200 0.112 0.000 1.151 114 S HN 1.472 nan 8.310 nan 0.000 0.491 115 F N 2.058 122.050 119.950 0.069 0.000 2.234 115 F HA -0.012 4.559 4.527 0.074 0.000 0.299 115 F C 1.863 177.788 175.800 0.209 0.000 1.087 115 F CA 2.162 60.231 58.000 0.114 0.000 1.340 115 F CB -0.103 38.889 39.000 -0.014 0.000 1.031 115 F HN 0.796 nan 8.300 nan 0.000 0.500 116 D N -1.517 119.022 120.400 0.232 0.000 2.340 116 D HA -0.047 4.637 4.640 0.075 0.000 0.220 116 D C 0.168 176.497 176.300 0.048 0.000 1.039 116 D CA 0.039 54.117 54.000 0.131 0.000 0.866 116 D CB -0.893 39.992 40.800 0.141 0.000 0.913 116 D HN 0.123 nan 8.370 nan 0.000 0.523 117 D N 1.243 121.674 120.400 0.051 0.000 2.361 117 D HA -0.009 4.676 4.640 0.075 0.000 0.239 117 D C 0.185 176.474 176.300 -0.018 0.000 1.200 117 D CA -0.108 53.914 54.000 0.036 0.000 0.915 117 D CB 0.539 41.382 40.800 0.071 0.000 1.170 117 D HN 0.217 nan 8.370 nan 0.000 0.444 118 E N 0.343 120.546 120.200 0.005 0.000 2.585 118 E HA -0.147 4.248 4.350 0.075 0.000 0.252 118 E C -0.343 176.234 176.600 -0.037 0.000 0.981 118 E CA 0.139 56.511 56.400 -0.047 0.000 0.943 118 E CB -0.248 29.438 29.700 -0.023 0.000 0.923 118 E HN 0.323 nan 8.360 nan 0.000 0.486 119 N N 3.663 122.211 118.700 -0.254 0.000 2.710 119 N HA -0.268 4.517 4.740 0.075 0.000 0.249 119 N C -1.027 174.411 175.510 -0.121 0.000 1.059 119 N CA 1.178 54.038 53.050 -0.317 0.000 0.720 119 N CB -1.553 36.833 38.487 -0.168 0.000 0.983 119 N HN 0.754 nan 8.380 nan 0.000 0.544 120 H N -3.199 115.878 119.070 0.011 0.000 2.748 120 H HA -0.215 4.386 4.556 0.075 0.000 0.322 120 H C 1.309 176.744 175.328 0.179 0.000 1.208 120 H CA 1.031 57.034 56.048 -0.075 0.000 1.151 120 H CB -0.916 28.663 29.762 -0.306 0.000 1.505 120 H HN 0.426 nan 8.280 nan 0.000 0.429 121 K N 0.938 121.479 120.400 0.234 0.000 2.173 121 K HA -0.169 4.196 4.320 0.075 0.000 0.207 121 K C 2.412 179.058 176.600 0.077 0.000 1.046 121 K CA 1.586 57.933 56.287 0.100 0.000 0.929 121 K CB -0.381 32.130 32.500 0.018 0.000 0.720 121 K HN 0.591 nan 8.250 nan 0.000 0.453 122 G N 0.912 109.762 108.800 0.083 0.000 2.501 122 G HA2 -0.192 3.813 3.960 0.075 0.000 0.220 122 G HA3 -0.192 3.813 3.960 0.075 0.000 0.220 122 G C 1.297 176.191 174.900 -0.010 0.000 1.114 122 G CA 0.430 45.563 45.100 0.054 0.000 0.757 122 G HN 0.243 nan 8.290 nan 0.000 0.559 123 L N 0.717 121.865 121.223 -0.126 0.000 2.465 123 L HA 0.065 4.450 4.340 0.075 0.000 0.224 123 L C 2.846 179.382 176.870 -0.557 0.000 1.145 123 L CA 0.542 55.202 54.840 -0.301 0.000 0.834 123 L CB -0.411 41.442 42.059 -0.344 0.000 0.944 123 L HN 0.301 nan 8.230 nan 0.000 0.451 124 G N -0.088 108.316 108.800 -0.659 0.000 2.625 124 G HA2 -0.198 3.807 3.960 0.075 0.000 0.214 124 G HA3 -0.198 3.807 3.960 0.075 0.000 0.214 124 G C 0.619 175.457 174.900 -0.104 0.000 1.132 124 G CA -0.157 44.746 45.100 -0.328 0.000 0.782 124 G HN 0.279 nan 8.290 nan 0.000 0.538 125 E N 0.966 121.102 120.200 -0.107 0.000 2.417 125 E HA 0.178 4.573 4.350 0.075 0.000 0.261 125 E C -1.246 175.266 176.600 -0.146 0.000 1.000 125 E CA -1.639 54.666 56.400 -0.159 0.000 0.919 125 E CB 1.203 30.714 29.700 -0.315 0.000 0.955 125 E HN 0.027 nan 8.360 nan 0.000 0.455 126 P HA -0.087 nan 4.420 nan 0.000 0.216 126 P C -0.815 176.321 177.300 -0.273 0.000 1.153 126 P CA 1.494 64.555 63.100 -0.066 0.000 0.848 126 P CB 0.134 31.895 31.700 0.102 0.000 0.787 127 K N -2.666 117.318 120.400 -0.694 0.000 2.533 127 K HA 0.562 4.927 4.320 0.075 0.000 0.272 127 K C -1.418 174.695 176.600 -0.812 0.000 0.985 127 K CA -0.810 54.979 56.287 -0.831 0.000 0.876 127 K CB 1.124 32.555 32.500 -1.782 0.000 1.452 127 K HN -0.233 nan 8.250 nan 0.000 0.439 128 F N 0.080 119.818 119.950 -0.354 0.000 2.603 128 F HA 0.389 4.957 4.527 0.067 0.000 0.317 128 F C 0.205 175.986 175.800 -0.030 0.000 1.066 128 F CA -1.043 56.870 58.000 -0.145 0.000 0.941 128 F CB 1.716 40.671 39.000 -0.075 0.000 1.291 128 F HN 0.455 nan 8.300 nan 0.000 0.472 129 N N 0.174 119.041 118.700 0.278 0.000 2.416 129 N HA 0.023 4.808 4.740 0.075 0.000 0.246 129 N C 1.174 176.786 175.510 0.169 0.000 1.260 129 N CA 0.733 53.931 53.050 0.246 0.000 0.897 129 N CB 0.934 39.550 38.487 0.215 0.000 1.110 129 N HN 0.814 nan 8.380 nan 0.000 0.439 130 T N -2.405 112.224 114.554 0.124 0.000 2.929 130 T HA -0.178 4.216 4.350 0.075 0.000 0.271 130 T C 0.898 175.661 174.700 0.104 0.000 1.085 130 T CA 1.100 63.272 62.100 0.120 0.000 1.125 130 T CB -0.160 68.817 68.868 0.182 0.000 0.874 130 T HN 0.599 nan 8.240 nan 0.000 0.494 131 D N 1.114 121.575 120.400 0.101 0.000 2.363 131 D HA 0.194 4.879 4.640 0.075 0.000 0.226 131 D C 1.675 178.000 176.300 0.042 0.000 1.020 131 D CA 0.619 54.659 54.000 0.066 0.000 0.892 131 D CB -0.818 40.021 40.800 0.065 0.000 0.900 131 D HN 0.613 nan 8.370 nan 0.000 0.531 132 G N 0.085 108.914 108.800 0.050 0.000 2.195 132 G HA2 -0.291 3.713 3.960 0.075 0.000 0.246 132 G HA3 -0.291 3.713 3.960 0.075 0.000 0.246 132 G C 0.421 175.363 174.900 0.070 0.000 0.984 132 G CA 0.421 45.525 45.100 0.007 0.000 0.633 132 G HN 0.850 nan 8.290 nan 0.000 0.525 133 S N 0.368 116.139 115.700 0.118 0.000 2.592 133 S HA 0.730 5.245 4.470 0.075 0.000 0.271 133 S C 0.769 175.516 174.600 0.244 0.000 1.326 133 S CA 0.498 58.782 58.200 0.140 0.000 1.024 133 S CB 1.781 65.034 63.200 0.087 0.000 0.921 133 S HN 1.942 nan 8.310 nan 0.000 0.527 134 A N 1.726 124.665 122.820 0.199 0.000 2.511 134 A HA 0.252 4.617 4.320 0.075 0.000 0.242 134 A C -0.343 177.236 177.584 -0.008 0.000 1.069 134 A CA -0.258 51.836 52.037 0.096 0.000 0.763 134 A CB -0.550 18.465 19.000 0.025 0.000 1.001 134 A HN 0.919 nan 8.150 nan 0.000 0.498 135 Y N 3.013 123.157 120.300 -0.260 0.000 2.486 135 Y HA 0.309 4.908 4.550 0.081 0.000 0.348 135 Y C 1.538 177.286 175.900 -0.254 0.000 1.000 135 Y CA 0.689 58.615 58.100 -0.290 0.000 1.253 135 Y CB 0.794 38.927 38.460 -0.544 0.000 1.140 135 Y HN 0.720 nan 8.280 nan 0.000 0.526 136 T N 1.244 115.406 114.554 -0.653 0.000 3.069 136 T HA 0.316 4.711 4.350 0.075 0.000 0.252 136 T C 0.928 175.367 174.700 -0.435 0.000 1.053 136 T CA 0.137 61.994 62.100 -0.405 0.000 0.964 136 T CB -0.223 68.502 68.868 -0.239 0.000 1.005 136 T HN 0.717 nan 8.240 nan 0.000 0.532 137 G N 1.139 109.446 108.800 -0.822 0.000 2.634 137 G HA2 0.521 4.526 3.960 0.075 0.000 0.255 137 G HA3 0.521 4.526 3.960 0.075 0.000 0.255 137 G C 0.230 175.147 174.900 0.027 0.000 1.205 137 G CA -0.455 44.433 45.100 -0.353 0.000 0.884 137 G HN 0.655 nan 8.290 nan 0.000 0.549 138 A N 0.194 123.085 122.820 0.119 0.000 2.540 138 A HA 0.473 4.838 4.320 0.075 0.000 0.239 138 A C -0.266 177.519 177.584 0.334 0.000 1.061 138 A CA 0.182 52.314 52.037 0.158 0.000 0.758 138 A CB 0.051 19.104 19.000 0.088 0.000 0.991 138 A HN 0.746 nan 8.150 nan 0.000 0.502 139 W N 0.532 121.793 121.300 -0.066 0.000 3.153 139 W HA 0.412 5.116 4.660 0.074 0.000 0.316 139 W C -0.046 176.266 176.519 -0.346 0.000 1.255 139 W CA -0.381 56.869 57.345 -0.158 0.000 1.192 139 W CB 1.532 30.915 29.460 -0.129 0.000 1.400 139 W HN 1.041 nan 8.180 nan 0.000 0.568 140 G N 3.255 111.535 108.800 -0.867 0.000 2.741 140 G HA2 0.427 4.432 3.960 0.075 0.000 0.301 140 G HA3 0.427 4.432 3.960 0.075 0.000 0.301 140 G C -0.370 174.001 174.900 -0.882 0.000 0.834 140 G CA -0.347 43.800 45.100 -1.587 0.000 1.683 140 G HN 0.325 nan 8.290 nan 0.000 0.506 141 R N 2.173 122.475 120.500 -0.330 0.000 2.803 141 R HA 0.757 5.142 4.340 0.075 0.000 0.276 141 R C -2.767 173.703 176.300 0.284 0.000 0.978 141 R CA -1.882 54.265 56.100 0.078 0.000 0.939 141 R CB 1.915 32.256 30.300 0.068 0.000 1.179 141 R HN 0.162 nan 8.270 nan 0.000 0.472 142 P HA 0.159 nan 4.420 nan 0.000 0.279 142 P C -1.216 176.246 177.300 0.269 0.000 1.276 142 P CA -0.636 62.578 63.100 0.191 0.000 0.801 142 P CB 0.852 32.645 31.700 0.155 0.000 1.127 143 Q N 0.105 120.026 119.800 0.201 0.000 2.309 143 Q HA 0.310 4.695 4.340 0.075 0.000 0.270 143 Q C 0.065 176.182 176.000 0.196 0.000 1.023 143 Q CA -0.186 55.742 55.803 0.209 0.000 0.758 143 Q CB 1.233 30.083 28.738 0.187 0.000 1.247 143 Q HN 0.394 nan 8.270 nan 0.000 0.455 144 N N 1.218 120.067 118.700 0.248 0.000 2.322 144 N HA -0.084 4.701 4.740 0.075 0.000 0.194 144 N C 0.485 176.149 175.510 0.256 0.000 1.126 144 N CA 0.135 53.384 53.050 0.333 0.000 0.845 144 N CB 0.489 39.210 38.487 0.390 0.000 0.976 144 N HN 0.605 nan 8.380 nan 0.000 0.475 145 D N 0.420 120.934 120.400 0.189 0.000 2.194 145 D HA -0.075 4.610 4.640 0.075 0.000 0.204 145 D C 1.942 178.318 176.300 0.127 0.000 0.964 145 D CA 0.712 54.802 54.000 0.151 0.000 0.846 145 D CB -0.629 40.306 40.800 0.226 0.000 0.962 145 D HN 0.134 nan 8.370 nan 0.000 0.490 146 G N 2.064 110.939 108.800 0.124 0.000 2.480 146 G HA2 -0.209 3.795 3.960 0.075 0.000 0.216 146 G HA3 -0.209 3.795 3.960 0.075 0.000 0.216 146 G C -0.520 174.433 174.900 0.087 0.000 1.200 146 G CA 1.001 46.162 45.100 0.102 0.000 0.782 146 G HN 0.341 nan 8.290 nan 0.000 0.554 147 P HA -0.029 nan 4.420 nan 0.000 0.218 147 P C 2.112 179.491 177.300 0.132 0.000 1.148 147 P CA 1.900 65.045 63.100 0.074 0.000 0.822 147 P CB -0.112 31.613 31.700 0.041 0.000 0.784 148 A N -0.682 122.222 122.820 0.140 0.000 1.873 148 A HA -0.139 4.226 4.320 0.075 0.000 0.215 148 A C 2.194 179.844 177.584 0.111 0.000 1.186 148 A CA 1.350 53.456 52.037 0.115 0.000 0.616 148 A CB -1.602 17.435 19.000 0.061 0.000 0.823 148 A HN 0.106 nan 8.150 nan 0.000 0.442 149 L N -1.130 120.149 121.223 0.093 0.000 2.093 149 L HA -0.148 4.237 4.340 0.075 0.000 0.208 149 L C 2.783 179.738 176.870 0.141 0.000 1.085 149 L CA 1.684 56.594 54.840 0.117 0.000 0.755 149 L CB -0.397 41.708 42.059 0.076 0.000 0.904 149 L HN 0.453 nan 8.230 nan 0.000 0.435 150 R N 0.247 120.826 120.500 0.132 0.000 2.066 150 R HA -0.151 4.234 4.340 0.075 0.000 0.232 150 R C 2.377 178.745 176.300 0.113 0.000 1.131 150 R CA 1.357 57.539 56.100 0.137 0.000 0.955 150 R CB -0.253 30.107 30.300 0.100 0.000 0.851 150 R HN 0.312 nan 8.270 nan 0.000 0.432 151 A N 0.251 123.150 122.820 0.132 0.000 1.908 151 A HA -0.242 4.123 4.320 0.075 0.000 0.218 151 A C 2.035 179.745 177.584 0.211 0.000 1.181 151 A CA 1.523 53.658 52.037 0.164 0.000 0.627 151 A CB -0.951 18.163 19.000 0.190 0.000 0.818 151 A HN 0.635 nan 8.150 nan 0.000 0.445 152 Y N 0.700 121.039 120.300 0.065 0.000 2.114 152 Y HA -0.052 4.543 4.550 0.076 0.000 0.284 152 Y C 2.651 178.548 175.900 -0.005 0.000 1.143 152 Y CA 1.123 59.213 58.100 -0.015 0.000 1.135 152 Y CB -0.972 37.411 38.460 -0.127 0.000 0.980 152 Y HN 0.296 nan 8.280 nan 0.000 0.499 153 A N 0.636 123.296 122.820 -0.267 0.000 1.908 153 A HA -0.174 4.191 4.320 0.075 0.000 0.218 153 A C 2.387 179.943 177.584 -0.046 0.000 1.181 153 A CA 2.183 54.066 52.037 -0.257 0.000 0.627 153 A CB -1.167 17.823 19.000 -0.016 0.000 0.818 153 A HN 0.568 nan 8.150 nan 0.000 0.445 154 I N -0.563 120.039 120.570 0.054 0.000 2.353 154 I HA -0.155 4.060 4.170 0.075 0.000 0.248 154 I C 2.562 178.783 176.117 0.173 0.000 1.119 154 I CA 1.086 62.444 61.300 0.097 0.000 1.417 154 I CB -0.330 37.679 38.000 0.016 0.000 1.078 154 I HN 0.214 nan 8.210 nan 0.000 0.421 155 S N 0.693 116.519 115.700 0.209 0.000 2.359 155 S HA -0.239 4.276 4.470 0.075 0.000 0.224 155 S C 2.090 176.907 174.600 0.363 0.000 1.035 155 S CA 1.514 59.917 58.200 0.337 0.000 1.018 155 S CB -0.367 63.148 63.200 0.526 0.000 0.876 155 S HN 0.384 nan 8.310 nan 0.000 0.448 156 R N -0.325 120.325 120.500 0.249 0.000 2.096 156 R HA -0.144 4.241 4.340 0.075 0.000 0.235 156 R C 2.210 178.631 176.300 0.202 0.000 1.127 156 R CA 1.304 57.529 56.100 0.208 0.000 0.968 156 R CB -0.473 29.724 30.300 -0.172 0.000 0.861 156 R HN 0.459 nan 8.270 nan 0.000 0.440 157 Y N 1.284 121.623 120.300 0.066 0.000 2.128 157 Y HA -0.229 4.369 4.550 0.081 0.000 0.284 157 Y C 1.805 177.780 175.900 0.124 0.000 1.154 157 Y CA 1.794 59.948 58.100 0.091 0.000 1.149 157 Y CB -0.341 38.146 38.460 0.046 0.000 0.976 157 Y HN 0.047 nan 8.280 nan 0.000 0.505 158 L N -0.135 121.121 121.223 0.056 0.000 2.046 158 L HA -0.281 4.104 4.340 0.075 0.000 0.208 158 L C 2.050 178.894 176.870 -0.045 0.000 1.077 158 L CA 1.970 56.794 54.840 -0.028 0.000 0.747 158 L CB -0.779 41.357 42.059 0.128 0.000 0.896 158 L HN 0.340 nan 8.230 nan 0.000 0.432 159 N N -0.271 118.450 118.700 0.034 0.000 2.120 159 N HA -0.192 4.593 4.740 0.075 0.000 0.188 159 N C 1.329 176.833 175.510 -0.009 0.000 1.024 159 N CA 1.236 54.294 53.050 0.014 0.000 0.852 159 N CB 0.016 38.557 38.487 0.089 0.000 1.003 159 N HN 0.300 nan 8.380 nan 0.000 0.424 160 D N 0.286 120.695 120.400 0.015 0.000 2.117 160 D HA -0.074 4.611 4.640 0.075 0.000 0.198 160 D C 2.064 178.322 176.300 -0.070 0.000 0.982 160 D CA 0.553 54.584 54.000 0.052 0.000 0.828 160 D CB -0.392 40.520 40.800 0.187 0.000 0.967 160 D HN 0.021 nan 8.370 nan 0.000 0.464 161 V N 1.698 121.466 119.914 -0.244 0.000 2.332 161 V HA -0.244 3.921 4.120 0.075 0.000 0.248 161 V C 2.033 177.934 176.094 -0.321 0.000 1.055 161 V CA 1.555 63.606 62.300 -0.416 0.000 1.038 161 V CB -0.404 31.160 31.823 -0.430 0.000 0.651 161 V HN 0.175 nan 8.190 nan 0.000 0.450 162 N N -0.228 118.351 118.700 -0.201 0.000 2.216 162 N HA -0.082 4.703 4.740 0.075 0.000 0.183 162 N C 2.038 177.463 175.510 -0.141 0.000 1.017 162 N CA 1.624 54.580 53.050 -0.157 0.000 0.861 162 N CB -0.193 38.216 38.487 -0.131 0.000 0.986 162 N HN 0.379 nan 8.380 nan 0.000 0.428 163 S N 0.008 115.640 115.700 -0.114 0.000 2.458 163 S HA 0.253 4.767 4.470 0.075 0.000 0.223 163 S C 1.743 176.295 174.600 -0.081 0.000 1.019 163 S CA 0.283 58.438 58.200 -0.074 0.000 0.937 163 S CB 0.486 63.671 63.200 -0.025 0.000 0.788 163 S HN 0.202 nan 8.310 nan 0.000 0.511 164 L N -0.046 121.100 121.223 -0.128 0.000 2.749 164 L HA 0.393 4.778 4.340 0.075 0.000 0.242 164 L C 0.813 177.493 176.870 -0.317 0.000 1.103 164 L CA 0.224 54.993 54.840 -0.120 0.000 0.906 164 L CB 0.142 42.235 42.059 0.056 0.000 1.228 164 L HN 0.098 nan 8.230 nan 0.000 0.517 165 N N 0.360 118.734 118.700 -0.543 0.000 2.377 165 N HA 0.096 4.881 4.740 0.075 0.000 0.259 165 N C -0.466 174.827 175.510 -0.362 0.000 1.332 165 N CA -0.051 52.610 53.050 -0.648 0.000 0.877 165 N CB 0.300 37.932 38.487 -1.425 0.000 1.299 165 N HN -0.016 nan 8.380 nan 0.000 0.501 166 E N -0.768 119.287 120.200 -0.241 0.000 2.440 166 E HA -0.204 4.191 4.350 0.075 0.000 0.246 166 E C 0.893 177.407 176.600 -0.144 0.000 1.165 166 E CA 0.995 57.302 56.400 -0.156 0.000 0.726 166 E CB -1.776 27.856 29.700 -0.114 0.000 1.271 166 E HN 0.494 nan 8.360 nan 0.000 0.397 167 G N -0.744 107.952 108.800 -0.174 0.000 2.162 167 G HA2 -0.415 3.590 3.960 0.075 0.000 0.260 167 G HA3 -0.415 3.590 3.960 0.075 0.000 0.260 167 G C 0.109 174.945 174.900 -0.107 0.000 0.976 167 G CA 0.612 45.635 45.100 -0.128 0.000 0.655 167 G HN 0.297 nan 8.290 nan 0.000 0.533 168 K N 0.395 120.708 120.400 -0.145 0.000 2.234 168 K HA 0.589 4.954 4.320 0.075 0.000 0.277 168 K C 0.814 177.391 176.600 -0.039 0.000 1.038 168 K CA -0.621 55.619 56.287 -0.078 0.000 0.888 168 K CB 1.352 33.807 32.500 -0.076 0.000 1.091 168 K HN 0.219 nan 8.250 nan 0.000 0.467 169 L N 2.099 123.350 121.223 0.047 0.000 2.466 169 L HA 0.111 4.496 4.340 0.075 0.000 0.257 169 L C 1.494 178.458 176.870 0.157 0.000 1.189 169 L CA -0.295 54.637 54.840 0.153 0.000 0.813 169 L CB 0.791 42.969 42.059 0.198 0.000 1.118 169 L HN 0.530 nan 8.230 nan 0.000 0.471 170 V N -1.207 118.829 119.914 0.204 0.000 3.635 170 V HA 0.173 4.338 4.120 0.075 0.000 0.266 170 V C 1.043 177.168 176.094 0.053 0.000 1.316 170 V CA 0.231 62.614 62.300 0.140 0.000 1.060 170 V CB 0.227 32.159 31.823 0.181 0.000 0.820 170 V HN 0.668 nan 8.190 nan 0.000 0.447 171 L N 1.615 122.856 121.223 0.030 0.000 2.857 171 L HA 0.202 4.587 4.340 0.075 0.000 0.249 171 L C 2.032 178.834 176.870 -0.114 0.000 1.172 171 L CA 0.796 55.578 54.840 -0.096 0.000 0.980 171 L CB 0.335 42.240 42.059 -0.256 0.000 1.299 171 L HN 0.478 nan 8.230 nan 0.000 0.535 172 T N -5.241 109.290 114.554 -0.039 0.000 3.160 172 T HA -0.036 4.359 4.350 0.075 0.000 0.257 172 T C 0.955 175.603 174.700 -0.086 0.000 1.147 172 T CA 0.416 62.471 62.100 -0.075 0.000 1.064 172 T CB -0.075 68.798 68.868 0.008 0.000 0.949 172 T HN 0.118 nan 8.240 nan 0.000 0.526 173 D N 1.248 121.609 120.400 -0.065 0.000 2.340 173 D HA 0.205 4.890 4.640 0.075 0.000 0.217 173 D C 0.166 176.426 176.300 -0.067 0.000 1.081 173 D CA 0.035 54.000 54.000 -0.058 0.000 0.842 173 D CB 0.439 41.221 40.800 -0.030 0.000 0.934 173 D HN 0.331 nan 8.370 nan 0.000 0.511 174 S N -0.381 115.262 115.700 -0.096 0.000 2.592 174 S HA 0.340 4.855 4.470 0.075 0.000 0.271 174 S C 1.576 176.111 174.600 -0.107 0.000 1.326 174 S CA -0.462 57.688 58.200 -0.084 0.000 1.024 174 S CB 1.842 64.989 63.200 -0.089 0.000 0.921 174 S HN 0.255 nan 8.310 nan 0.000 0.527 175 G N 1.018 109.774 108.800 -0.072 0.000 2.448 175 G HA2 -0.118 3.887 3.960 0.075 0.000 0.218 175 G HA3 -0.118 3.887 3.960 0.075 0.000 0.218 175 G C 0.677 175.513 174.900 -0.107 0.000 1.135 175 G CA 0.260 45.311 45.100 -0.082 0.000 0.784 175 G HN 0.778 nan 8.290 nan 0.000 0.543 176 D N 0.378 120.722 120.400 -0.094 0.000 2.371 176 D HA -0.011 4.674 4.640 0.075 0.000 0.221 176 D C 0.475 176.659 176.300 -0.194 0.000 0.986 176 D CA 0.339 54.281 54.000 -0.097 0.000 0.899 176 D CB 0.626 41.416 40.800 -0.015 0.000 0.902 176 D HN 0.196 nan 8.370 nan 0.000 0.530 177 I N 1.864 122.253 120.570 -0.301 0.000 2.339 177 I HA 0.093 4.307 4.170 0.075 0.000 0.290 177 I C 0.619 176.339 176.117 -0.661 0.000 0.994 177 I CA -0.496 60.474 61.300 -0.551 0.000 1.191 177 I CB 1.286 38.872 38.000 -0.689 0.000 1.343 177 I HN -0.222 nan 8.210 nan 0.000 0.458 178 N N 7.481 125.726 118.700 -0.758 0.000 2.466 178 N HA 0.211 4.996 4.740 0.075 0.000 0.251 178 N C -0.945 174.290 175.510 -0.458 0.000 1.164 178 N CA 0.187 52.802 53.050 -0.725 0.000 0.888 178 N CB 0.108 37.829 38.487 -1.277 0.000 1.177 178 N HN 0.509 nan 8.380 nan 0.000 0.498 179 F N -4.080 115.702 119.950 -0.281 0.000 2.708 179 F HA 0.356 4.926 4.527 0.072 0.000 0.309 179 F C 0.230 175.955 175.800 -0.124 0.000 1.120 179 F CA -1.043 56.844 58.000 -0.187 0.000 0.978 179 F CB 0.623 39.532 39.000 -0.152 0.000 1.283 179 F HN -0.330 nan 8.300 nan 0.000 0.439 180 S N 0.305 116.072 115.700 0.112 0.000 2.666 180 S HA 0.421 4.936 4.470 0.075 0.000 0.239 180 S C -0.179 174.481 174.600 0.099 0.000 1.031 180 S CA 0.331 58.565 58.200 0.056 0.000 1.015 180 S CB 0.210 63.408 63.200 -0.002 0.000 0.981 180 S HN 0.961 nan 8.310 nan 0.000 0.547 181 S N -0.220 115.564 115.700 0.140 0.000 2.595 181 S HA 0.292 4.807 4.470 0.075 0.000 0.270 181 S C 0.775 175.411 174.600 0.060 0.000 1.145 181 S CA -0.061 58.193 58.200 0.090 0.000 0.825 181 S CB 0.703 63.937 63.200 0.057 0.000 1.107 181 S HN 0.118 nan 8.310 nan 0.000 0.461 182 T N -1.431 113.163 114.554 0.068 0.000 2.788 182 T HA -0.095 4.300 4.350 0.075 0.000 0.268 182 T C 1.386 176.015 174.700 -0.118 0.000 1.044 182 T CA 1.571 63.711 62.100 0.066 0.000 1.139 182 T CB -0.774 68.230 68.868 0.227 0.000 0.867 182 T HN 0.752 nan 8.240 nan 0.000 0.454 183 E N 1.092 121.161 120.200 -0.219 0.000 2.118 183 E HA -0.217 4.178 4.350 0.075 0.000 0.195 183 E C 1.706 178.105 176.600 -0.335 0.000 0.992 183 E CA 1.477 57.480 56.400 -0.662 0.000 0.804 183 E CB -0.172 29.359 29.700 -0.280 0.000 0.741 183 E HN 0.474 nan 8.360 nan 0.000 0.458 184 D N 0.303 120.619 120.400 -0.139 0.000 2.144 184 D HA -0.143 4.542 4.640 0.075 0.000 0.199 184 D C 1.988 178.236 176.300 -0.088 0.000 0.984 184 D CA 0.843 54.803 54.000 -0.065 0.000 0.834 184 D CB -0.169 40.652 40.800 0.035 0.000 0.955 184 D HN 0.311 nan 8.370 nan 0.000 0.465 185 I N -0.040 120.441 120.570 -0.148 0.000 2.179 185 I HA -0.293 3.922 4.170 0.075 0.000 0.242 185 I C 2.353 178.401 176.117 -0.115 0.000 1.088 185 I CA 0.976 62.151 61.300 -0.209 0.000 1.357 185 I CB -0.313 37.494 38.000 -0.323 0.000 1.051 185 I HN 0.029 nan 8.210 nan 0.000 0.409 186 Y N 2.011 122.157 120.300 -0.256 0.000 2.097 186 Y HA -0.300 4.295 4.550 0.074 0.000 0.282 186 Y C 2.566 178.370 175.900 -0.160 0.000 1.152 186 Y CA 1.765 59.736 58.100 -0.215 0.000 1.136 186 Y CB -0.090 38.083 38.460 -0.478 0.000 0.975 186 Y HN -0.063 nan 8.280 nan 0.000 0.498 187 K N -0.098 120.061 120.400 -0.402 0.000 2.148 187 K HA -0.128 4.237 4.320 0.075 0.000 0.204 187 K C 1.246 177.692 176.600 -0.257 0.000 1.050 187 K CA 1.840 57.879 56.287 -0.413 0.000 0.942 187 K CB -0.192 32.194 32.500 -0.190 0.000 0.724 187 K HN 0.507 nan 8.250 nan 0.000 0.446 188 N N -0.910 117.711 118.700 -0.131 0.000 2.250 188 N HA 0.154 4.939 4.740 0.075 0.000 0.190 188 N C 1.001 176.517 175.510 0.009 0.000 1.116 188 N CA 0.139 53.186 53.050 -0.005 0.000 0.881 188 N CB 0.640 39.208 38.487 0.136 0.000 1.006 188 N HN 0.008 nan 8.380 nan 0.000 0.491 189 I N -0.626 119.919 120.570 -0.041 0.000 3.739 189 I HA 0.162 4.377 4.170 0.075 0.000 0.272 189 I C 1.458 177.542 176.117 -0.055 0.000 1.167 189 I CA 0.061 61.337 61.300 -0.041 0.000 1.386 189 I CB 0.251 38.224 38.000 -0.044 0.000 1.490 189 I HN -0.066 nan 8.210 nan 0.000 0.452 190 I N 1.240 121.777 120.570 -0.056 0.000 2.163 190 I HA -0.270 3.945 4.170 0.075 0.000 0.240 190 I C 2.539 178.650 176.117 -0.011 0.000 1.081 190 I CA 1.588 62.900 61.300 0.020 0.000 1.353 190 I CB -0.279 37.809 38.000 0.147 0.000 1.054 190 I HN 0.170 nan 8.210 nan 0.000 0.407 191 K N 0.964 121.236 120.400 -0.213 0.000 2.063 191 K HA -0.159 4.206 4.320 0.075 0.000 0.208 191 K C -0.603 175.971 176.600 -0.044 0.000 1.048 191 K CA 1.610 57.758 56.287 -0.231 0.000 0.928 191 K CB -0.822 31.295 32.500 -0.638 0.000 0.713 191 K HN 0.141 nan 8.250 nan 0.000 0.442 192 P HA -0.157 nan 4.420 nan 0.000 0.215 192 P C 0.412 177.795 177.300 0.139 0.000 1.153 192 P CA 1.378 64.446 63.100 -0.053 0.000 0.853 192 P CB 0.001 31.563 31.700 -0.229 0.000 0.788 193 D N -0.934 119.535 120.400 0.115 0.000 2.117 193 D HA -0.098 4.586 4.640 0.075 0.000 0.197 193 D C 2.004 178.467 176.300 0.272 0.000 0.987 193 D CA 1.009 55.118 54.000 0.183 0.000 0.829 193 D CB -0.612 40.262 40.800 0.122 0.000 0.961 193 D HN 0.169 nan 8.370 nan 0.000 0.460 194 L N 0.704 122.080 121.223 0.254 0.000 2.093 194 L HA -0.131 4.254 4.340 0.075 0.000 0.208 194 L C 2.299 179.370 176.870 0.334 0.000 1.085 194 L CA 1.042 56.062 54.840 0.301 0.000 0.755 194 L CB -0.352 41.936 42.059 0.381 0.000 0.904 194 L HN -0.013 nan 8.230 nan 0.000 0.435 195 E N -0.729 119.679 120.200 0.346 0.000 2.110 195 E HA -0.268 4.127 4.350 0.075 0.000 0.193 195 E C 2.008 178.764 176.600 0.260 0.000 0.988 195 E CA 1.394 57.969 56.400 0.293 0.000 0.804 195 E CB -0.193 29.651 29.700 0.240 0.000 0.745 195 E HN 0.440 nan 8.360 nan 0.000 0.458 196 Y N 1.087 121.541 120.300 0.256 0.000 2.145 196 Y HA -0.269 4.328 4.550 0.078 0.000 0.286 196 Y C 2.175 178.268 175.900 0.322 0.000 1.145 196 Y CA 1.332 59.621 58.100 0.315 0.000 1.148 196 Y CB -0.200 38.415 38.460 0.259 0.000 0.981 196 Y HN -0.179 nan 8.280 nan 0.000 0.507 197 V N 0.558 120.685 119.914 0.355 0.000 2.343 197 V HA -0.337 3.828 4.120 0.075 0.000 0.247 197 V C 2.360 178.589 176.094 0.223 0.000 1.051 197 V CA 2.170 64.632 62.300 0.270 0.000 1.036 197 V CB -0.677 31.288 31.823 0.237 0.000 0.654 197 V HN 0.463 nan 8.190 nan 0.000 0.451 198 I N 0.752 121.429 120.570 0.178 0.000 2.208 198 I HA -0.201 4.014 4.170 0.075 0.000 0.245 198 I C 2.471 178.646 176.117 0.097 0.000 1.097 198 I CA 1.825 63.228 61.300 0.172 0.000 1.363 198 I CB -0.728 37.342 38.000 0.116 0.000 1.051 198 I HN 0.423 nan 8.210 nan 0.000 0.413 199 G N -0.935 107.795 108.800 -0.116 0.000 2.464 199 G HA2 -0.180 3.825 3.960 0.075 0.000 0.217 199 G HA3 -0.180 3.825 3.960 0.075 0.000 0.217 199 G C 1.060 175.455 174.900 -0.841 0.000 1.138 199 G CA 0.507 45.304 45.100 -0.504 0.000 0.793 199 G HN 0.380 nan 8.290 nan 0.000 0.539 200 Y N -0.678 119.434 120.300 -0.312 0.000 2.563 200 Y HA 0.165 4.761 4.550 0.076 0.000 0.250 200 Y C 2.106 177.879 175.900 -0.212 0.000 1.126 200 Y CA -1.651 56.226 58.100 -0.371 0.000 1.231 200 Y CB -0.232 37.820 38.460 -0.679 0.000 1.288 200 Y HN 0.414 nan 8.280 nan 0.000 0.537 201 W N 1.665 122.920 121.300 -0.075 0.000 2.325 201 W HA -0.174 4.530 4.660 0.073 0.000 0.299 201 W C 0.245 176.714 176.519 -0.084 0.000 1.215 201 W CA 1.695 59.010 57.345 -0.050 0.000 1.244 201 W CB -0.678 28.729 29.460 -0.089 0.000 1.140 201 W HN 0.281 nan 8.180 nan 0.000 0.523 202 D N 1.432 121.214 120.400 -1.030 0.000 2.561 202 D HA 0.088 4.773 4.640 0.075 0.000 0.232 202 D C 0.269 176.273 176.300 -0.493 0.000 1.198 202 D CA 0.087 53.459 54.000 -1.046 0.000 0.826 202 D CB -0.385 39.333 40.800 -1.803 0.000 0.992 202 D HN 0.088 nan 8.370 nan 0.000 0.490 203 S N -1.521 114.034 115.700 -0.241 0.000 2.715 203 S HA 0.598 5.113 4.470 0.075 0.000 0.307 203 S C -0.047 174.550 174.600 -0.004 0.000 1.119 203 S CA -0.695 57.450 58.200 -0.091 0.000 0.937 203 S CB 1.416 64.629 63.200 0.023 0.000 1.150 203 S HN -0.021 nan 8.310 nan 0.000 0.521 204 T N 1.340 115.901 114.554 0.012 0.000 2.794 204 T HA 0.658 5.053 4.350 0.075 0.000 0.296 204 T C 0.356 175.103 174.700 0.078 0.000 0.949 204 T CA 0.015 62.128 62.100 0.020 0.000 1.101 204 T CB 0.500 69.355 68.868 -0.022 0.000 0.905 204 T HN 1.004 nan 8.240 nan 0.000 0.516 205 G N 1.630 110.507 108.800 0.129 0.000 2.727 205 G HA2 0.666 4.671 3.960 0.075 0.000 0.289 205 G HA3 0.666 4.671 3.960 0.075 0.000 0.289 205 G C -1.394 173.636 174.900 0.217 0.000 1.418 205 G CA -0.844 44.378 45.100 0.203 0.000 0.818 205 G HN 0.501 nan 8.290 nan 0.000 0.486 206 F N 1.221 121.264 119.950 0.154 0.000 2.380 206 F HA 0.289 4.862 4.527 0.077 0.000 0.325 206 F C 1.317 176.982 175.800 -0.225 0.000 1.136 206 F CA -0.265 57.771 58.000 0.060 0.000 1.171 206 F CB 1.010 40.027 39.000 0.027 0.000 1.230 206 F HN 0.512 nan 8.300 nan 0.000 0.554 207 D N 1.780 121.962 120.400 -0.364 0.000 2.398 207 D HA 0.015 4.700 4.640 0.075 0.000 0.247 207 D C 1.364 177.505 176.300 -0.266 0.000 1.227 207 D CA -0.357 53.228 54.000 -0.691 0.000 0.980 207 D CB 0.447 40.866 40.800 -0.634 0.000 1.106 207 D HN 0.660 nan 8.370 nan 0.000 0.493 208 L N -2.292 118.677 121.223 -0.423 0.000 2.187 208 L HA -0.001 4.383 4.340 0.075 0.000 0.213 208 L C 1.694 178.446 176.870 -0.196 0.000 1.100 208 L CA 0.679 55.263 54.840 -0.426 0.000 0.765 208 L CB -0.708 40.760 42.059 -0.985 0.000 0.904 208 L HN 0.397 nan 8.230 nan 0.000 0.437 209 W N 0.812 122.058 121.300 -0.089 0.000 3.180 209 W HA 0.176 4.876 4.660 0.066 0.000 0.254 209 W C 0.475 176.976 176.519 -0.030 0.000 1.318 209 W CA -0.206 57.109 57.345 -0.051 0.000 1.608 209 W CB -0.004 29.425 29.460 -0.052 0.000 1.124 209 W HN 0.258 nan 8.180 nan 0.000 0.694 210 E N -0.441 119.859 120.200 0.166 0.000 2.957 210 E HA -0.258 4.137 4.350 0.075 0.000 0.287 210 E C 0.285 176.904 176.600 0.032 0.000 0.976 210 E CA 0.992 57.422 56.400 0.051 0.000 0.907 210 E CB -1.767 27.904 29.700 -0.048 0.000 1.456 210 E HN 0.557 nan 8.360 nan 0.000 0.421 211 E N 0.233 120.585 120.200 0.253 0.000 2.444 211 E HA 0.062 4.457 4.350 0.075 0.000 0.209 211 E C 0.448 177.250 176.600 0.336 0.000 0.806 211 E CA 0.203 56.752 56.400 0.249 0.000 1.240 211 E CB 0.386 30.183 29.700 0.161 0.000 1.238 211 E HN 0.387 nan 8.360 nan 0.000 0.591 212 N N 0.888 119.738 118.700 0.250 0.000 2.229 212 N HA 0.209 4.994 4.740 0.075 0.000 0.298 212 N C -1.048 174.397 175.510 -0.109 0.000 1.114 212 N CA -0.495 52.584 53.050 0.049 0.000 0.776 212 N CB 1.998 40.519 38.487 0.058 0.000 1.501 212 N HN -0.152 nan 8.380 nan 0.000 0.474 213 Q N 0.350 119.951 119.800 -0.332 0.000 2.256 213 Q HA 0.677 5.061 4.340 0.075 0.000 0.257 213 Q C 0.067 175.957 176.000 -0.185 0.000 0.936 213 Q CA -0.571 55.016 55.803 -0.359 0.000 0.903 213 Q CB 1.888 30.296 28.738 -0.551 0.000 1.263 213 Q HN 0.990 nan 8.270 nan 0.000 0.440 214 G N 1.319 109.987 108.800 -0.220 0.000 2.247 214 G HA2 -0.089 3.916 3.960 0.075 0.000 0.229 214 G HA3 -0.089 3.916 3.960 0.075 0.000 0.229 214 G C -1.337 173.214 174.900 -0.581 0.000 1.345 214 G CA -1.143 43.772 45.100 -0.308 0.000 1.100 214 G HN 0.497 nan 8.290 nan 0.000 0.473 215 R N 1.063 121.343 120.500 -0.368 0.000 2.389 215 R HA 0.490 4.874 4.340 0.075 0.000 0.295 215 R C -0.733 175.479 176.300 -0.147 0.000 1.075 215 R CA -0.080 55.947 56.100 -0.121 0.000 1.005 215 R CB 0.335 30.614 30.300 -0.035 0.000 0.987 215 R HN 0.555 nan 8.270 nan 0.000 0.452 216 H N 3.384 122.723 119.070 0.447 0.000 2.840 216 H HA 0.026 4.628 4.556 0.077 0.000 0.340 216 H C 0.132 175.471 175.328 0.017 0.000 1.004 216 H CA -0.701 55.512 56.048 0.275 0.000 1.288 216 H CB 1.246 31.093 29.762 0.142 0.000 1.607 216 H HN 0.585 nan 8.280 nan 0.000 0.522 217 F N 2.952 122.678 119.950 -0.373 0.000 2.095 217 F HA -0.244 4.327 4.527 0.074 0.000 0.298 217 F C 1.984 177.526 175.800 -0.431 0.000 1.104 217 F CA 1.484 58.871 58.000 -1.022 0.000 1.232 217 F CB -0.268 38.260 39.000 -0.787 0.000 0.987 217 F HN 0.505 nan 8.300 nan 0.000 0.475 218 F N 0.839 120.592 119.950 -0.328 0.000 2.126 218 F HA -0.217 4.355 4.527 0.074 0.000 0.299 218 F C 2.325 177.934 175.800 -0.317 0.000 1.096 218 F CA 2.372 60.147 58.000 -0.375 0.000 1.255 218 F CB -0.906 37.928 39.000 -0.276 0.000 0.997 218 F HN -0.060 nan 8.300 nan 0.000 0.479 219 T N -0.568 114.009 114.554 0.039 0.000 2.708 219 T HA -0.170 4.224 4.350 0.075 0.000 0.266 219 T C 2.149 176.801 174.700 -0.080 0.000 1.037 219 T CA 1.706 63.827 62.100 0.035 0.000 1.146 219 T CB -0.526 68.464 68.868 0.204 0.000 0.865 219 T HN 0.249 nan 8.240 nan 0.000 0.435 220 S N 1.258 116.917 115.700 -0.068 0.000 2.382 220 S HA -0.021 4.494 4.470 0.075 0.000 0.228 220 S C 1.923 176.375 174.600 -0.247 0.000 1.027 220 S CA 0.627 58.803 58.200 -0.041 0.000 0.991 220 S CB -0.428 62.867 63.200 0.158 0.000 0.823 220 S HN 0.225 nan 8.310 nan 0.000 0.469 221 L N 2.237 123.153 121.223 -0.511 0.000 2.027 221 L HA -0.034 4.351 4.340 0.075 0.000 0.206 221 L C 2.375 178.958 176.870 -0.477 0.000 1.074 221 L CA 1.436 55.929 54.840 -0.578 0.000 0.745 221 L CB -0.629 40.886 42.059 -0.908 0.000 0.898 221 L HN 0.310 nan 8.230 nan 0.000 0.433 222 V N -3.085 116.497 119.914 -0.553 0.000 2.515 222 V HA -0.244 3.920 4.120 0.075 0.000 0.250 222 V C 2.182 178.123 176.094 -0.254 0.000 1.058 222 V CA 1.623 63.647 62.300 -0.459 0.000 1.064 222 V CB -1.015 30.469 31.823 -0.564 0.000 0.675 222 V HN 0.600 nan 8.190 nan 0.000 0.461 223 Q N -0.195 119.495 119.800 -0.182 0.000 2.046 223 Q HA -0.205 4.180 4.340 0.075 0.000 0.200 223 Q C 2.523 178.442 176.000 -0.135 0.000 0.975 223 Q CA 1.931 57.682 55.803 -0.086 0.000 0.836 223 Q CB -0.370 28.360 28.738 -0.013 0.000 0.896 223 Q HN 0.670 nan 8.270 nan 0.000 0.428 224 Q N 1.321 121.008 119.800 -0.187 0.000 2.096 224 Q HA -0.233 4.152 4.340 0.075 0.000 0.204 224 Q C 1.953 177.857 176.000 -0.161 0.000 0.982 224 Q CA 1.657 57.349 55.803 -0.185 0.000 0.850 224 Q CB -0.004 28.634 28.738 -0.166 0.000 0.901 224 Q HN 0.065 nan 8.270 nan 0.000 0.422 225 K N 0.429 120.701 120.400 -0.213 0.000 2.026 225 K HA -0.080 4.285 4.320 0.075 0.000 0.208 225 K C 1.900 178.409 176.600 -0.152 0.000 1.048 225 K CA 1.811 57.948 56.287 -0.249 0.000 0.929 225 K CB -0.754 31.484 32.500 -0.437 0.000 0.713 225 K HN 0.182 nan 8.250 nan 0.000 0.439 226 A N 0.748 123.508 122.820 -0.100 0.000 1.908 226 A HA -0.115 4.250 4.320 0.075 0.000 0.218 226 A C 2.274 179.918 177.584 0.099 0.000 1.181 226 A CA 1.811 53.881 52.037 0.054 0.000 0.627 226 A CB -0.757 18.296 19.000 0.087 0.000 0.818 226 A HN 0.343 nan 8.150 nan 0.000 0.445 227 L N -0.938 120.296 121.223 0.018 0.000 2.027 227 L HA -0.169 4.215 4.340 0.075 0.000 0.206 227 L C 3.120 179.992 176.870 0.002 0.000 1.074 227 L CA 1.120 55.957 54.840 -0.005 0.000 0.745 227 L CB -0.641 41.363 42.059 -0.091 0.000 0.898 227 L HN 0.421 nan 8.230 nan 0.000 0.433 228 A N -0.772 122.042 122.820 -0.010 0.000 1.902 228 A HA -0.286 4.079 4.320 0.075 0.000 0.217 228 A C 2.212 179.835 177.584 0.064 0.000 1.181 228 A CA 1.601 53.639 52.037 0.002 0.000 0.623 228 A CB -0.922 18.069 19.000 -0.015 0.000 0.818 228 A HN 0.484 nan 8.150 nan 0.000 0.443 229 Y N 0.167 120.456 120.300 -0.018 0.000 2.373 229 Y HA 0.080 4.676 4.550 0.077 0.000 0.293 229 Y C 2.433 178.383 175.900 0.084 0.000 1.129 229 Y CA 0.971 59.094 58.100 0.038 0.000 1.226 229 Y CB -0.126 38.375 38.460 0.067 0.000 1.000 229 Y HN 0.302 nan 8.280 nan 0.000 0.549 230 A N -1.113 121.829 122.820 0.205 0.000 2.167 230 A HA 0.005 4.370 4.320 0.075 0.000 0.214 230 A C 2.152 179.781 177.584 0.075 0.000 1.151 230 A CA 1.013 53.159 52.037 0.182 0.000 0.735 230 A CB -0.962 18.211 19.000 0.288 0.000 0.802 230 A HN 0.314 nan 8.150 nan 0.000 0.467 231 V N 0.758 120.677 119.914 0.008 0.000 2.252 231 V HA -0.302 3.863 4.120 0.075 0.000 0.249 231 V C 2.142 178.205 176.094 -0.052 0.000 1.056 231 V CA 2.511 64.795 62.300 -0.026 0.000 1.022 231 V CB -0.661 31.133 31.823 -0.048 0.000 0.641 231 V HN 0.506 nan 8.190 nan 0.000 0.445 232 D N -0.471 119.867 120.400 -0.103 0.000 2.178 232 D HA -0.078 4.607 4.640 0.075 0.000 0.202 232 D C 2.104 178.300 176.300 -0.172 0.000 0.974 232 D CA 0.828 54.744 54.000 -0.140 0.000 0.841 232 D CB -0.140 40.557 40.800 -0.173 0.000 0.953 232 D HN 0.290 nan 8.370 nan 0.000 0.478 233 I N 1.228 121.707 120.570 -0.152 0.000 2.142 233 I HA -0.220 3.995 4.170 0.075 0.000 0.240 233 I C 2.469 178.433 176.117 -0.257 0.000 1.078 233 I CA 0.843 62.043 61.300 -0.166 0.000 1.343 233 I CB -1.224 36.783 38.000 0.012 0.000 1.046 233 I HN -0.092 nan 8.210 nan 0.000 0.405 234 A N 0.928 123.664 122.820 -0.140 0.000 1.908 234 A HA -0.234 4.131 4.320 0.075 0.000 0.218 234 A C 2.369 179.918 177.584 -0.058 0.000 1.181 234 A CA 1.737 53.725 52.037 -0.081 0.000 0.627 234 A CB -0.552 18.605 19.000 0.261 0.000 0.818 234 A HN 0.380 nan 8.150 nan 0.000 0.445 235 K N 0.134 120.489 120.400 -0.075 0.000 2.097 235 K HA -0.120 4.245 4.320 0.075 0.000 0.205 235 K C 2.397 178.908 176.600 -0.149 0.000 1.050 235 K CA 1.498 57.740 56.287 -0.075 0.000 0.938 235 K CB -0.221 32.233 32.500 -0.077 0.000 0.718 235 K HN 0.669 nan 8.250 nan 0.000 0.442 236 S N 0.386 115.916 115.700 -0.283 0.000 2.419 236 S HA -0.114 4.400 4.470 0.075 0.000 0.233 236 S C 1.294 175.554 174.600 -0.566 0.000 1.016 236 S CA 0.864 58.787 58.200 -0.462 0.000 0.974 236 S CB -0.257 62.557 63.200 -0.643 0.000 0.786 236 S HN 0.162 nan 8.310 nan 0.000 0.492 237 F N 1.811 121.651 119.950 -0.184 0.000 2.668 237 F HA 0.378 4.949 4.527 0.074 0.000 0.297 237 F C 0.652 176.427 175.800 -0.043 0.000 1.124 237 F CA -0.981 56.940 58.000 -0.131 0.000 1.353 237 F CB -0.370 38.493 39.000 -0.228 0.000 0.992 237 F HN 0.080 nan 8.300 nan 0.000 0.524 238 D N 1.266 121.707 120.400 0.068 0.000 2.772 238 D HA -0.251 4.434 4.640 0.075 0.000 0.233 238 D C -0.250 176.120 176.300 0.116 0.000 1.143 238 D CA 0.606 54.648 54.000 0.071 0.000 0.700 238 D CB -1.081 39.761 40.800 0.070 0.000 1.076 238 D HN 0.277 nan 8.370 nan 0.000 0.430 239 D N -1.314 119.174 120.400 0.146 0.000 3.088 239 D HA 0.443 5.128 4.640 0.075 0.000 0.310 239 D C 1.566 177.990 176.300 0.206 0.000 1.351 239 D CA 0.376 54.505 54.000 0.216 0.000 0.921 239 D CB -0.172 40.842 40.800 0.357 0.000 1.045 239 D HN 0.268 nan 8.370 nan 0.000 0.504 240 G N 0.383 109.261 108.800 0.130 0.000 2.394 240 G HA2 -0.225 3.780 3.960 0.075 0.000 0.215 240 G HA3 -0.225 3.780 3.960 0.075 0.000 0.215 240 G C 1.324 176.283 174.900 0.098 0.000 1.165 240 G CA 0.297 45.450 45.100 0.090 0.000 0.784 240 G HN 0.261 nan 8.290 nan 0.000 0.535 241 D N -0.113 120.357 120.400 0.117 0.000 2.117 241 D HA -0.086 4.598 4.640 0.075 0.000 0.197 241 D C 1.913 178.303 176.300 0.149 0.000 0.987 241 D CA 0.409 54.475 54.000 0.109 0.000 0.829 241 D CB -0.321 40.543 40.800 0.106 0.000 0.961 241 D HN 0.255 nan 8.370 nan 0.000 0.460 242 F N 1.404 121.397 119.950 0.071 0.000 2.186 242 F HA -0.069 4.502 4.527 0.074 0.000 0.299 242 F C 2.162 178.014 175.800 0.087 0.000 1.090 242 F CA 1.156 59.209 58.000 0.089 0.000 1.307 242 F CB -0.286 38.795 39.000 0.134 0.000 1.019 242 F HN -0.069 nan 8.300 nan 0.000 0.489 243 A N 0.365 123.249 122.820 0.107 0.000 1.908 243 A HA -0.274 4.090 4.320 0.075 0.000 0.218 243 A C 1.979 179.515 177.584 -0.081 0.000 1.181 243 A CA 2.282 54.316 52.037 -0.004 0.000 0.627 243 A CB -1.180 17.842 19.000 0.036 0.000 0.818 243 A HN 0.574 nan 8.150 nan 0.000 0.445 244 N N -1.101 117.571 118.700 -0.046 0.000 2.270 244 N HA -0.072 4.713 4.740 0.075 0.000 0.181 244 N C 1.619 177.072 175.510 -0.095 0.000 1.016 244 N CA 1.512 54.529 53.050 -0.055 0.000 0.870 244 N CB -0.208 38.267 38.487 -0.020 0.000 0.979 244 N HN 0.443 nan 8.380 nan 0.000 0.431 245 T N 1.035 115.509 114.554 -0.134 0.000 2.746 245 T HA -0.069 4.326 4.350 0.075 0.000 0.267 245 T C 1.861 176.405 174.700 -0.260 0.000 1.039 245 T CA 0.824 62.815 62.100 -0.182 0.000 1.142 245 T CB -0.267 68.482 68.868 -0.198 0.000 0.866 245 T HN 0.145 nan 8.240 nan 0.000 0.444 246 L N 0.637 121.631 121.223 -0.381 0.000 2.046 246 L HA -0.123 4.262 4.340 0.075 0.000 0.208 246 L C 2.881 179.645 176.870 -0.176 0.000 1.077 246 L CA 1.191 55.848 54.840 -0.304 0.000 0.747 246 L CB -0.644 41.241 42.059 -0.290 0.000 0.896 246 L HN 0.271 nan 8.230 nan 0.000 0.432 247 S N -0.911 114.707 115.700 -0.136 0.000 2.356 247 S HA -0.237 4.278 4.470 0.075 0.000 0.223 247 S C 2.314 176.858 174.600 -0.094 0.000 1.032 247 S CA 1.861 60.004 58.200 -0.095 0.000 1.005 247 S CB -0.212 62.946 63.200 -0.070 0.000 0.867 247 S HN 0.446 nan 8.310 nan 0.000 0.449 248 S N -0.122 115.522 115.700 -0.092 0.000 2.368 248 S HA -0.098 4.417 4.470 0.075 0.000 0.224 248 S C 1.926 176.463 174.600 -0.106 0.000 1.029 248 S CA 2.085 60.239 58.200 -0.077 0.000 0.988 248 S CB -1.021 62.145 63.200 -0.057 0.000 0.838 248 S HN 0.711 nan 8.310 nan 0.000 0.462 249 T N 2.095 116.565 114.554 -0.141 0.000 2.746 249 T HA 0.055 4.450 4.350 0.075 0.000 0.267 249 T C 2.109 176.639 174.700 -0.284 0.000 1.039 249 T CA 1.262 63.235 62.100 -0.211 0.000 1.142 249 T CB -0.752 67.995 68.868 -0.202 0.000 0.866 249 T HN 0.537 nan 8.240 nan 0.000 0.444 250 A N 1.153 123.848 122.820 -0.209 0.000 1.908 250 A HA -0.116 4.249 4.320 0.075 0.000 0.218 250 A C 2.577 180.070 177.584 -0.151 0.000 1.181 250 A CA 2.123 54.050 52.037 -0.184 0.000 0.627 250 A CB -1.094 17.833 19.000 -0.121 0.000 0.818 250 A HN 0.449 nan 8.150 nan 0.000 0.445 251 S N -1.128 114.504 115.700 -0.112 0.000 2.382 251 S HA -0.137 4.378 4.470 0.075 0.000 0.228 251 S C 2.055 176.611 174.600 -0.073 0.000 1.027 251 S CA 2.152 60.310 58.200 -0.070 0.000 0.991 251 S CB -0.565 62.606 63.200 -0.048 0.000 0.823 251 S HN 0.634 nan 8.310 nan 0.000 0.469 252 T N 2.315 116.796 114.554 -0.122 0.000 2.777 252 T HA 0.046 4.441 4.350 0.075 0.000 0.266 252 T C 1.725 176.314 174.700 -0.185 0.000 1.040 252 T CA 1.215 63.246 62.100 -0.116 0.000 1.141 252 T CB -0.342 68.451 68.868 -0.125 0.000 0.868 252 T HN 0.286 nan 8.240 nan 0.000 0.444 253 L N 0.553 121.544 121.223 -0.386 0.000 2.093 253 L HA -0.076 4.309 4.340 0.075 0.000 0.208 253 L C 2.767 179.623 176.870 -0.023 0.000 1.085 253 L CA 1.316 55.934 54.840 -0.371 0.000 0.755 253 L CB -0.321 41.418 42.059 -0.533 0.000 0.904 253 L HN 0.354 nan 8.230 nan 0.000 0.435 254 E N -0.492 119.697 120.200 -0.019 0.000 2.085 254 E HA -0.224 4.171 4.350 0.075 0.000 0.194 254 E C 2.156 178.844 176.600 0.147 0.000 0.994 254 E CA 1.637 58.084 56.400 0.079 0.000 0.801 254 E CB 0.097 29.818 29.700 0.035 0.000 0.743 254 E HN 0.344 nan 8.360 nan 0.000 0.453 255 S N -0.433 115.334 115.700 0.112 0.000 2.383 255 S HA -0.164 4.351 4.470 0.075 0.000 0.227 255 S C 1.549 176.272 174.600 0.206 0.000 1.026 255 S CA 1.076 59.358 58.200 0.136 0.000 0.981 255 S CB -0.473 62.787 63.200 0.101 0.000 0.818 255 S HN 0.439 nan 8.310 nan 0.000 0.472 256 Y N 2.201 122.567 120.300 0.110 0.000 2.128 256 Y HA -0.135 4.460 4.550 0.074 0.000 0.284 256 Y C 1.899 177.959 175.900 0.267 0.000 1.154 256 Y CA 1.389 59.596 58.100 0.178 0.000 1.149 256 Y CB -0.469 38.123 38.460 0.219 0.000 0.976 256 Y HN 0.133 nan 8.280 nan 0.000 0.505 257 L N -0.910 120.549 121.223 0.392 0.000 2.083 257 L HA -0.239 4.146 4.340 0.075 0.000 0.209 257 L C 2.260 179.409 176.870 0.466 0.000 1.083 257 L CA 1.758 56.867 54.840 0.449 0.000 0.752 257 L CB -0.441 41.843 42.059 0.376 0.000 0.899 257 L HN 0.134 nan 8.230 nan 0.000 0.433 258 S N -1.199 114.743 115.700 0.404 0.000 2.524 258 S HA 0.179 4.694 4.470 0.075 0.000 0.216 258 S C 0.782 175.483 174.600 0.169 0.000 0.987 258 S CA 0.344 58.775 58.200 0.384 0.000 0.909 258 S CB 0.374 63.730 63.200 0.260 0.000 0.781 258 S HN 0.488 nan 8.310 nan 0.000 0.521 259 G N 0.996 109.845 108.800 0.082 0.000 2.887 259 G HA2 0.432 4.437 3.960 0.075 0.000 0.277 259 G HA3 0.432 4.437 3.960 0.075 0.000 0.277 259 G C 0.652 175.494 174.900 -0.095 0.000 1.346 259 G CA 0.013 45.113 45.100 0.000 0.000 1.058 259 G HN 0.236 nan 8.290 nan 0.000 0.535 260 S N -0.718 114.926 115.700 -0.093 0.000 2.489 260 S HA -0.031 4.484 4.470 0.075 0.000 0.228 260 S C 1.224 175.714 174.600 -0.184 0.000 0.995 260 S CA 1.212 59.330 58.200 -0.136 0.000 0.934 260 S CB -0.009 63.138 63.200 -0.088 0.000 0.771 260 S HN 0.455 nan 8.310 nan 0.000 0.522 261 D N 2.575 122.878 120.400 -0.161 0.000 2.097 261 D HA -0.020 4.665 4.640 0.075 0.000 0.195 261 D C 2.153 178.155 176.300 -0.497 0.000 0.989 261 D CA 1.544 55.443 54.000 -0.168 0.000 0.827 261 D CB -0.940 39.890 40.800 0.051 0.000 0.966 261 D HN 0.556 nan 8.370 nan 0.000 0.456 262 G N -0.161 108.107 108.800 -0.887 0.000 2.403 262 G HA2 0.040 4.045 3.960 0.075 0.000 0.216 262 G HA3 0.040 4.045 3.960 0.075 0.000 0.216 262 G C 1.324 175.404 174.900 -1.366 0.000 1.154 262 G CA 1.104 45.319 45.100 -1.476 0.000 0.784 262 G HN 0.518 nan 8.290 nan 0.000 0.538 263 G N -0.765 107.568 108.800 -0.779 0.000 2.162 263 G HA2 -0.316 3.689 3.960 0.075 0.000 0.260 263 G HA3 -0.316 3.689 3.960 0.075 0.000 0.260 263 G C 0.967 175.587 174.900 -0.466 0.000 0.976 263 G CA 0.663 45.437 45.100 -0.545 0.000 0.655 263 G HN 0.462 nan 8.290 nan 0.000 0.533 264 F N 0.104 119.950 119.950 -0.175 0.000 2.187 264 F HA 0.221 4.794 4.527 0.076 0.000 0.295 264 F C 1.742 177.380 175.800 -0.271 0.000 1.091 264 F CA 0.481 58.362 58.000 -0.198 0.000 1.308 264 F CB -0.025 38.880 39.000 -0.157 0.000 1.030 264 F HN 0.066 nan 8.300 nan 0.000 0.487 265 V N 1.958 121.807 119.914 -0.109 0.000 2.415 265 V HA 0.010 4.175 4.120 0.075 0.000 0.267 265 V C -0.545 175.362 176.094 -0.312 0.000 1.042 265 V CA -0.175 61.934 62.300 -0.318 0.000 1.000 265 V CB 0.094 31.707 31.823 -0.350 0.000 1.015 265 V HN 0.208 nan 8.190 nan 0.000 0.478 266 N N 2.764 121.288 118.700 -0.294 0.000 2.476 266 N HA 0.277 5.062 4.740 0.075 0.000 0.257 266 N C 0.968 176.390 175.510 -0.147 0.000 0.970 266 N CA -0.169 52.758 53.050 -0.205 0.000 0.938 266 N CB 1.440 39.806 38.487 -0.202 0.000 1.144 266 N HN 0.675 nan 8.380 nan 0.000 0.500 267 T N -0.461 114.036 114.554 -0.095 0.000 3.107 267 T HA 0.080 4.475 4.350 0.075 0.000 0.249 267 T C 0.728 175.430 174.700 0.003 0.000 1.096 267 T CA 0.235 62.339 62.100 0.006 0.000 1.012 267 T CB 0.111 68.989 68.868 0.016 0.000 0.977 267 T HN 0.333 nan 8.240 nan 0.000 0.527 268 D N 2.118 122.494 120.400 -0.040 0.000 2.103 268 D HA -0.045 4.640 4.640 0.075 0.000 0.199 268 D C 2.220 178.499 176.300 -0.034 0.000 0.978 268 D CA 1.574 55.554 54.000 -0.033 0.000 0.829 268 D CB 0.012 40.783 40.800 -0.047 0.000 0.981 268 D HN 0.529 nan 8.370 nan 0.000 0.464 269 V N -2.559 117.294 119.914 -0.101 0.000 3.621 269 V HA 0.229 4.394 4.120 0.075 0.000 0.285 269 V C 0.089 176.139 176.094 -0.074 0.000 1.346 269 V CA -0.265 61.955 62.300 -0.134 0.000 1.104 269 V CB -0.332 31.299 31.823 -0.320 0.000 0.913 269 V HN -0.016 nan 8.190 nan 0.000 0.432 270 N N 3.021 121.732 118.700 0.018 0.000 2.725 270 N HA -0.198 4.587 4.740 0.075 0.000 0.251 270 N C 0.016 175.736 175.510 0.350 0.000 1.031 270 N CA 1.680 54.871 53.050 0.236 0.000 0.720 270 N CB -1.446 37.146 38.487 0.174 0.000 0.930 270 N HN 1.087 nan 8.380 nan 0.000 0.543 271 H N -2.785 116.466 119.070 0.303 0.000 2.948 271 H HA 0.395 4.996 4.556 0.075 0.000 0.315 271 H C -0.537 174.871 175.328 0.134 0.000 1.360 271 H CA -1.070 55.135 56.048 0.261 0.000 1.125 271 H CB 0.808 30.662 29.762 0.154 0.000 1.844 271 H HN -0.169 nan 8.280 nan 0.000 0.529 272 I N 2.213 122.959 120.570 0.293 0.000 2.588 272 I HA 0.022 4.237 4.170 0.075 0.000 0.283 272 I C 0.388 176.617 176.117 0.186 0.000 1.119 272 I CA -0.368 60.930 61.300 -0.004 0.000 1.419 272 I CB 1.183 38.933 38.000 -0.416 0.000 1.394 272 I HN 0.308 nan 8.210 nan 0.000 0.562 273 V N 7.149 127.112 119.914 0.082 0.000 2.334 273 V HA 0.089 4.254 4.120 0.075 0.000 0.267 273 V C 1.207 177.392 176.094 0.152 0.000 1.040 273 V CA -0.358 62.019 62.300 0.127 0.000 0.866 273 V CB 1.084 32.937 31.823 0.048 0.000 1.019 273 V HN 0.779 nan 8.190 nan 0.000 0.468 274 E N 4.526 124.804 120.200 0.129 0.000 2.077 274 E HA -0.135 4.260 4.350 0.075 0.000 0.193 274 E C 0.670 177.432 176.600 0.270 0.000 0.989 274 E CA 1.497 57.997 56.400 0.165 0.000 0.800 274 E CB 0.168 29.940 29.700 0.120 0.000 0.746 274 E HN 0.702 nan 8.360 nan 0.000 0.452 275 N N 0.348 119.157 118.700 0.182 0.000 2.851 275 N HA 0.153 4.938 4.740 0.075 0.000 0.248 275 N C -2.363 173.179 175.510 0.053 0.000 1.221 275 N CA -1.178 51.957 53.050 0.142 0.000 0.847 275 N CB 1.619 40.168 38.487 0.103 0.000 1.150 275 N HN 0.062 nan 8.380 nan 0.000 0.507 276 P HA -0.107 nan 4.420 nan 0.000 0.218 276 P C 0.773 178.025 177.300 -0.081 0.000 1.148 276 P CA 1.149 64.206 63.100 -0.073 0.000 0.822 276 P CB 0.499 32.069 31.700 -0.217 0.000 0.784 277 D N -0.790 119.557 120.400 -0.089 0.000 2.178 277 D HA -0.080 4.605 4.640 0.075 0.000 0.201 277 D C 1.925 178.194 176.300 -0.053 0.000 0.980 277 D CA 0.954 54.905 54.000 -0.081 0.000 0.842 277 D CB -0.429 40.312 40.800 -0.098 0.000 0.948 277 D HN 0.239 nan 8.370 nan 0.000 0.472 278 L N 0.180 121.381 121.223 -0.037 0.000 2.291 278 L HA -0.070 4.315 4.340 0.075 0.000 0.214 278 L C 2.334 179.198 176.870 -0.010 0.000 1.120 278 L CA 0.130 54.959 54.840 -0.020 0.000 0.799 278 L CB -0.200 41.850 42.059 -0.015 0.000 0.925 278 L HN 0.039 nan 8.230 nan 0.000 0.446 279 L N -0.176 121.040 121.223 -0.012 0.000 2.056 279 L HA -0.197 4.188 4.340 0.075 0.000 0.207 279 L C 2.667 179.525 176.870 -0.020 0.000 1.078 279 L CA 1.656 56.490 54.840 -0.008 0.000 0.749 279 L CB -0.655 41.396 42.059 -0.014 0.000 0.901 279 L HN 0.217 nan 8.230 nan 0.000 0.433 280 Q N -0.159 119.620 119.800 -0.034 0.000 2.096 280 Q HA -0.268 4.117 4.340 0.075 0.000 0.204 280 Q C 2.095 178.080 176.000 -0.025 0.000 0.982 280 Q CA 2.106 57.888 55.803 -0.036 0.000 0.850 280 Q CB -0.182 28.526 28.738 -0.049 0.000 0.901 280 Q HN 0.692 nan 8.270 nan 0.000 0.422 281 Q N -0.025 119.762 119.800 -0.021 0.000 2.435 281 Q HA 0.003 4.388 4.340 0.075 0.000 0.207 281 Q C 0.333 176.331 176.000 -0.003 0.000 0.956 281 Q CA 0.310 56.105 55.803 -0.013 0.000 0.917 281 Q CB -0.018 28.712 28.738 -0.013 0.000 0.997 281 Q HN 0.469 nan 8.270 nan 0.000 0.497 282 N N -0.250 118.450 118.700 -0.001 0.000 2.776 282 N HA -0.218 4.566 4.740 0.075 0.000 0.250 282 N C 0.535 176.056 175.510 0.018 0.000 1.112 282 N CA 0.332 53.387 53.050 0.008 0.000 0.733 282 N CB -0.708 37.784 38.487 0.007 0.000 1.097 282 N HN 0.369 nan 8.380 nan 0.000 0.558 283 S N -1.104 114.607 115.700 0.018 0.000 2.483 283 S HA 0.225 4.740 4.470 0.075 0.000 0.221 283 S C 0.696 175.322 174.600 0.042 0.000 1.030 283 S CA -0.066 58.152 58.200 0.030 0.000 0.925 283 S CB 0.566 63.782 63.200 0.026 0.000 0.795 283 S HN 0.341 nan 8.310 nan 0.000 0.511 284 R N -0.040 120.481 120.500 0.034 0.000 2.698 284 R HA 0.439 4.824 4.340 0.075 0.000 0.275 284 R C -0.708 175.624 176.300 0.052 0.000 1.001 284 R CA -0.687 55.442 56.100 0.048 0.000 0.896 284 R CB 1.051 31.363 30.300 0.020 0.000 1.218 284 R HN -0.010 nan 8.270 nan 0.000 0.462 285 Q N 0.251 120.096 119.800 0.074 0.000 2.319 285 Q HA 0.199 4.584 4.340 0.075 0.000 0.202 285 Q C 0.984 177.076 176.000 0.153 0.000 0.896 285 Q CA 0.804 56.664 55.803 0.095 0.000 0.942 285 Q CB 1.141 29.938 28.738 0.098 0.000 1.083 285 Q HN 1.119 nan 8.270 nan 0.000 0.510 286 G N 0.014 108.888 108.800 0.123 0.000 2.201 286 G HA2 -0.218 3.787 3.960 0.075 0.000 0.212 286 G HA3 -0.218 3.787 3.960 0.075 0.000 0.212 286 G C -0.006 174.957 174.900 0.104 0.000 0.994 286 G CA -0.269 44.919 45.100 0.146 0.000 0.644 286 G HN 0.271 nan 8.290 nan 0.000 0.508 287 L N 1.366 122.611 121.223 0.037 0.000 2.367 287 L HA 0.619 5.003 4.340 0.075 0.000 0.275 287 L C -0.190 176.725 176.870 0.076 0.000 1.129 287 L CA -0.126 54.691 54.840 -0.038 0.000 0.839 287 L CB 1.056 43.055 42.059 -0.100 0.000 1.133 287 L HN 0.191 nan 8.230 nan 0.000 0.453 288 D N 0.418 120.873 120.400 0.092 0.000 2.878 288 D HA 0.046 4.731 4.640 0.075 0.000 0.211 288 D C 0.519 176.884 176.300 0.109 0.000 1.271 288 D CA -0.245 53.855 54.000 0.167 0.000 0.845 288 D CB 1.902 42.815 40.800 0.188 0.000 1.679 288 D HN 0.482 nan 8.370 nan 0.000 0.536 289 S N 1.731 117.475 115.700 0.073 0.000 2.442 289 S HA -0.115 4.400 4.470 0.075 0.000 0.236 289 S C 1.955 176.294 174.600 -0.435 0.000 1.007 289 S CA 1.039 59.083 58.200 -0.259 0.000 0.965 289 S CB -0.120 62.957 63.200 -0.206 0.000 0.773 289 S HN 0.500 nan 8.310 nan 0.000 0.504 290 A N 1.858 124.623 122.820 -0.091 0.000 2.024 290 A HA -0.067 4.298 4.320 0.075 0.000 0.220 290 A C 2.336 179.933 177.584 0.021 0.000 1.164 290 A CA 1.981 53.894 52.037 -0.208 0.000 0.643 290 A CB -1.648 17.085 19.000 -0.445 0.000 0.806 290 A HN 0.552 nan 8.150 nan 0.000 0.451 291 T N -0.739 113.858 114.554 0.070 0.000 2.759 291 T HA -0.201 4.194 4.350 0.075 0.000 0.269 291 T C 1.655 176.527 174.700 0.285 0.000 1.042 291 T CA 1.981 64.215 62.100 0.224 0.000 1.140 291 T CB -0.474 68.452 68.868 0.097 0.000 0.864 291 T HN 0.930 nan 8.240 nan 0.000 0.455 292 Y N -0.618 119.796 120.300 0.191 0.000 2.509 292 Y HA 0.454 5.049 4.550 0.075 0.000 0.270 292 Y C 1.889 177.843 175.900 0.090 0.000 1.103 292 Y CA -0.319 57.868 58.100 0.144 0.000 1.278 292 Y CB -0.567 37.958 38.460 0.107 0.000 1.087 292 Y HN 0.084 nan 8.280 nan 0.000 0.542 293 I N 1.608 122.035 120.570 -0.239 0.000 2.226 293 I HA -0.171 4.044 4.170 0.075 0.000 0.245 293 I C 2.743 178.846 176.117 -0.024 0.000 1.100 293 I CA 1.563 62.687 61.300 -0.293 0.000 1.374 293 I CB -0.808 36.910 38.000 -0.469 0.000 1.057 293 I HN 0.469 nan 8.210 nan 0.000 0.413 294 G N 1.661 110.551 108.800 0.149 0.000 2.480 294 G HA2 -0.196 3.809 3.960 0.075 0.000 0.216 294 G HA3 -0.196 3.809 3.960 0.075 0.000 0.216 294 G C -0.557 174.280 174.900 -0.106 0.000 1.200 294 G CA 0.868 45.918 45.100 -0.083 0.000 0.782 294 G HN 0.287 nan 8.290 nan 0.000 0.554 295 P HA -0.096 nan 4.420 nan 0.000 0.216 295 P C 2.062 179.499 177.300 0.228 0.000 1.153 295 P CA 0.839 64.062 63.100 0.205 0.000 0.858 295 P CB -0.139 31.764 31.700 0.338 0.000 0.789 296 L N -1.744 119.585 121.223 0.177 0.000 2.046 296 L HA -0.165 4.220 4.340 0.075 0.000 0.208 296 L C 2.421 179.378 176.870 0.145 0.000 1.077 296 L CA 1.333 56.290 54.840 0.196 0.000 0.747 296 L CB -0.888 41.314 42.059 0.239 0.000 0.896 296 L HN -0.031 nan 8.230 nan 0.000 0.432 297 L N -0.687 120.571 121.223 0.059 0.000 2.141 297 L HA -0.130 4.255 4.340 0.075 0.000 0.209 297 L C 2.450 179.271 176.870 -0.082 0.000 1.094 297 L CA 1.621 56.488 54.840 0.046 0.000 0.763 297 L CB -0.742 41.326 42.059 0.016 0.000 0.908 297 L HN 0.441 nan 8.230 nan 0.000 0.437 298 T N -5.226 109.175 114.554 -0.256 0.000 3.107 298 T HA 0.008 4.403 4.350 0.075 0.000 0.249 298 T C 0.418 174.760 174.700 -0.596 0.000 1.096 298 T CA 0.022 61.802 62.100 -0.533 0.000 1.012 298 T CB -0.292 68.178 68.868 -0.663 0.000 0.977 298 T HN 0.333 nan 8.240 nan 0.000 0.527 299 H N 1.400 120.454 119.070 -0.027 0.000 2.348 299 H HA 0.379 4.980 4.556 0.075 0.000 0.232 299 H C -0.653 174.721 175.328 0.078 0.000 1.419 299 H CA -0.917 55.149 56.048 0.031 0.000 1.416 299 H CB 0.253 30.051 29.762 0.059 0.000 1.510 299 H HN 0.256 nan 8.280 nan 0.000 0.507 300 D N 1.539 122.041 120.400 0.170 0.000 2.399 300 D HA -0.061 4.624 4.640 0.075 0.000 0.241 300 D C 1.486 177.881 176.300 0.159 0.000 1.133 300 D CA 0.077 54.178 54.000 0.170 0.000 0.890 300 D CB 1.270 42.185 40.800 0.192 0.000 1.201 300 D HN 0.570 nan 8.370 nan 0.000 0.432 301 I N 1.975 122.607 120.570 0.104 0.000 2.493 301 I HA -0.079 4.136 4.170 0.075 0.000 0.254 301 I C 1.825 178.014 176.117 0.119 0.000 1.160 301 I CA 1.481 62.816 61.300 0.058 0.000 1.445 301 I CB -0.099 37.792 38.000 -0.181 0.000 1.086 301 I HN 0.453 nan 8.210 nan 0.000 0.433 302 G N 0.424 109.293 108.800 0.115 0.000 2.470 302 G HA2 -0.201 3.804 3.960 0.075 0.000 0.220 302 G HA3 -0.201 3.804 3.960 0.075 0.000 0.220 302 G C 1.463 176.461 174.900 0.164 0.000 1.121 302 G CA 0.857 46.041 45.100 0.139 0.000 0.766 302 G HN 0.584 nan 8.290 nan 0.000 0.553 303 E N -0.154 120.155 120.200 0.182 0.000 2.307 303 E HA 0.117 4.511 4.350 0.075 0.000 0.195 303 E C 1.041 177.743 176.600 0.170 0.000 0.975 303 E CA 0.340 56.856 56.400 0.193 0.000 0.878 303 E CB 0.246 30.087 29.700 0.234 0.000 0.845 303 E HN 0.212 nan 8.360 nan 0.000 0.488 304 S N 1.156 116.958 115.700 0.171 0.000 3.559 304 S HA -0.193 4.322 4.470 0.075 0.000 0.369 304 S C 0.197 174.881 174.600 0.139 0.000 0.987 304 S CA 0.571 58.855 58.200 0.141 0.000 1.187 304 S CB -1.777 61.489 63.200 0.109 0.000 0.914 304 S HN 0.333 nan 8.310 nan 0.000 0.480 305 S N 1.264 117.077 115.700 0.188 0.000 2.552 305 S HA 0.293 4.808 4.470 0.075 0.000 0.289 305 S C 1.232 175.947 174.600 0.192 0.000 1.304 305 S CA 0.124 58.452 58.200 0.213 0.000 1.063 305 S CB 0.489 63.855 63.200 0.277 0.000 0.848 305 S HN 0.946 nan 8.310 nan 0.000 0.499 306 S N 2.747 118.527 115.700 0.134 0.000 2.577 306 S HA 0.126 4.641 4.470 0.075 0.000 0.219 306 S C 0.715 175.381 174.600 0.109 0.000 0.962 306 S CA -0.025 58.230 58.200 0.092 0.000 0.921 306 S CB -0.763 62.468 63.200 0.052 0.000 0.789 306 S HN 0.888 nan 8.310 nan 0.000 0.497 307 T N 1.717 116.367 114.554 0.161 0.000 2.856 307 T HA 0.364 4.759 4.350 0.075 0.000 0.306 307 T C -2.417 172.426 174.700 0.240 0.000 1.062 307 T CA -1.400 60.770 62.100 0.116 0.000 1.083 307 T CB 0.060 68.910 68.868 -0.030 0.000 0.984 307 T HN 0.133 nan 8.240 nan 0.000 0.542 308 P HA 0.185 nan 4.420 nan 0.000 0.273 308 P C -0.145 177.335 177.300 0.301 0.000 1.250 308 P CA -0.485 62.675 63.100 0.101 0.000 0.793 308 P CB -0.099 31.649 31.700 0.080 0.000 1.011 309 F N -2.586 117.499 119.950 0.225 0.000 2.905 309 F HA -0.197 4.375 4.527 0.075 0.000 0.291 309 F C 0.848 176.862 175.800 0.356 0.000 1.002 309 F CA 0.494 58.667 58.000 0.288 0.000 0.978 309 F CB -1.898 37.332 39.000 0.383 0.000 1.036 309 F HN 0.262 nan 8.300 nan 0.000 0.820 310 D N 0.622 121.138 120.400 0.193 0.000 2.384 310 D HA 0.270 4.955 4.640 0.075 0.000 0.244 310 D C 1.485 177.849 176.300 0.107 0.000 1.251 310 D CA 0.522 54.457 54.000 -0.110 0.000 0.961 310 D CB 1.084 41.558 40.800 -0.543 0.000 1.116 310 D HN 0.082 nan 8.370 nan 0.000 0.484 311 V N -0.446 119.514 119.914 0.076 0.000 2.913 311 V HA -0.122 4.042 4.120 0.075 0.000 0.260 311 V C 1.300 177.426 176.094 0.053 0.000 1.098 311 V CA 1.781 64.128 62.300 0.078 0.000 1.121 311 V CB -0.731 31.111 31.823 0.032 0.000 0.714 311 V HN 0.556 nan 8.190 nan 0.000 0.487 312 D N 0.720 121.151 120.400 0.052 0.000 2.355 312 D HA -0.063 4.622 4.640 0.075 0.000 0.218 312 D C 0.823 177.165 176.300 0.070 0.000 1.004 312 D CA 0.110 54.150 54.000 0.067 0.000 0.880 312 D CB -0.872 39.960 40.800 0.053 0.000 0.911 312 D HN 0.645 nan 8.370 nan 0.000 0.528 313 N N 1.532 120.290 118.700 0.097 0.000 2.454 313 N HA -0.097 4.688 4.740 0.075 0.000 0.260 313 N C 1.530 177.105 175.510 0.109 0.000 1.218 313 N CA -0.039 53.086 53.050 0.125 0.000 0.904 313 N CB 0.731 39.379 38.487 0.269 0.000 1.065 313 N HN 0.042 nan 8.380 nan 0.000 0.462 314 E N 3.111 123.306 120.200 -0.009 0.000 2.153 314 E HA -0.260 4.135 4.350 0.075 0.000 0.194 314 E C 0.722 177.228 176.600 -0.157 0.000 0.988 314 E CA 1.582 57.899 56.400 -0.138 0.000 0.811 314 E CB -0.516 28.995 29.700 -0.315 0.000 0.746 314 E HN 0.773 nan 8.360 nan 0.000 0.466 315 Y N 1.421 121.819 120.300 0.163 0.000 2.220 315 Y HA -0.084 4.511 4.550 0.074 0.000 0.291 315 Y C 2.746 178.729 175.900 0.138 0.000 1.129 315 Y CA 0.859 59.054 58.100 0.159 0.000 1.161 315 Y CB -0.584 37.974 38.460 0.162 0.000 0.997 315 Y HN -0.148 nan 8.280 nan 0.000 0.522 316 V N -0.236 119.853 119.914 0.292 0.000 2.295 316 V HA -0.277 3.888 4.120 0.075 0.000 0.246 316 V C 2.280 178.473 176.094 0.166 0.000 1.049 316 V CA 1.640 64.071 62.300 0.217 0.000 1.024 316 V CB -0.774 31.227 31.823 0.297 0.000 0.648 316 V HN 0.303 nan 8.190 nan 0.000 0.447 317 L N -0.267 121.018 121.223 0.103 0.000 2.141 317 L HA -0.151 4.234 4.340 0.075 0.000 0.209 317 L C 2.376 179.271 176.870 0.041 0.000 1.094 317 L CA 1.921 56.755 54.840 -0.010 0.000 0.763 317 L CB -0.664 41.373 42.059 -0.037 0.000 0.908 317 L HN 0.361 nan 8.230 nan 0.000 0.437 318 Q N -1.348 118.526 119.800 0.124 0.000 2.123 318 Q HA -0.103 4.282 4.340 0.075 0.000 0.199 318 Q C 2.304 178.411 176.000 0.179 0.000 0.966 318 Q CA 1.755 57.683 55.803 0.209 0.000 0.845 318 Q CB -0.105 28.772 28.738 0.232 0.000 0.907 318 Q HN 0.459 nan 8.270 nan 0.000 0.439 319 S N -0.533 115.252 115.700 0.142 0.000 2.370 319 S HA -0.188 4.327 4.470 0.075 0.000 0.226 319 S C 1.503 176.158 174.600 0.091 0.000 1.033 319 S CA 1.307 59.519 58.200 0.020 0.000 1.011 319 S CB -0.571 62.666 63.200 0.061 0.000 0.852 319 S HN 0.621 nan 8.310 nan 0.000 0.457 320 Y N 0.851 121.164 120.300 0.022 0.000 2.097 320 Y HA -0.284 4.310 4.550 0.073 0.000 0.282 320 Y C 2.313 178.177 175.900 -0.060 0.000 1.152 320 Y CA 2.044 60.109 58.100 -0.058 0.000 1.136 320 Y CB -0.667 37.637 38.460 -0.260 0.000 0.975 320 Y HN 0.330 nan 8.280 nan 0.000 0.498 321 Y N 0.679 120.881 120.300 -0.162 0.000 2.128 321 Y HA -0.261 4.333 4.550 0.074 0.000 0.284 321 Y C 1.963 177.841 175.900 -0.037 0.000 1.154 321 Y CA 1.996 60.021 58.100 -0.126 0.000 1.149 321 Y CB -0.756 37.715 38.460 0.018 0.000 0.976 321 Y HN 0.219 nan 8.280 nan 0.000 0.505 322 L N -0.760 120.327 121.223 -0.226 0.000 2.156 322 L HA -0.153 4.232 4.340 0.075 0.000 0.208 322 L C 2.381 179.103 176.870 -0.247 0.000 1.095 322 L CA 0.878 55.517 54.840 -0.336 0.000 0.770 322 L CB -0.593 41.347 42.059 -0.199 0.000 0.914 322 L HN 0.310 nan 8.230 nan 0.000 0.439 323 L N -0.163 120.956 121.223 -0.174 0.000 2.056 323 L HA -0.186 4.199 4.340 0.075 0.000 0.207 323 L C 2.309 179.088 176.870 -0.153 0.000 1.078 323 L CA 1.443 56.208 54.840 -0.124 0.000 0.749 323 L CB -0.426 41.624 42.059 -0.016 0.000 0.901 323 L HN 0.120 nan 8.230 nan 0.000 0.433 324 L N -0.406 120.696 121.223 -0.202 0.000 2.012 324 L HA -0.201 4.184 4.340 0.075 0.000 0.210 324 L C 2.416 179.215 176.870 -0.118 0.000 1.073 324 L CA 1.846 56.590 54.840 -0.161 0.000 0.748 324 L CB -0.891 41.046 42.059 -0.203 0.000 0.891 324 L HN 0.297 nan 8.230 nan 0.000 0.431 325 E N -0.193 119.905 120.200 -0.170 0.000 2.077 325 E HA -0.254 4.141 4.350 0.075 0.000 0.193 325 E C 1.966 178.480 176.600 -0.144 0.000 0.989 325 E CA 1.375 57.690 56.400 -0.142 0.000 0.800 325 E CB -0.698 28.834 29.700 -0.280 0.000 0.746 325 E HN 0.682 nan 8.360 nan 0.000 0.452 326 D N 0.951 121.244 120.400 -0.179 0.000 2.092 326 D HA -0.166 4.519 4.640 0.075 0.000 0.193 326 D C 1.368 177.506 176.300 -0.269 0.000 0.994 326 D CA 1.033 54.920 54.000 -0.190 0.000 0.828 326 D CB -0.139 40.555 40.800 -0.177 0.000 0.963 326 D HN 0.211 nan 8.370 nan 0.000 0.450 327 N N -0.213 118.305 118.700 -0.304 0.000 2.331 327 N HA -0.077 4.708 4.740 0.075 0.000 0.180 327 N C 1.784 177.093 175.510 -0.336 0.000 1.019 327 N CA 0.360 53.100 53.050 -0.516 0.000 0.881 327 N CB 0.200 38.496 38.487 -0.318 0.000 0.972 327 N HN 0.203 nan 8.380 nan 0.000 0.435 328 K N 0.511 120.823 120.400 -0.147 0.000 2.211 328 K HA -0.068 4.297 4.320 0.075 0.000 0.203 328 K C 0.687 177.244 176.600 -0.072 0.000 1.050 328 K CA 0.871 57.130 56.287 -0.046 0.000 0.945 328 K CB 0.208 32.723 32.500 0.025 0.000 0.732 328 K HN 0.148 nan 8.250 nan 0.000 0.451 329 D N -0.084 120.243 120.400 -0.122 0.000 2.216 329 D HA -0.044 4.641 4.640 0.075 0.000 0.208 329 D C 1.781 177.990 176.300 -0.152 0.000 0.960 329 D CA 0.688 54.623 54.000 -0.108 0.000 0.861 329 D CB 0.126 40.869 40.800 -0.095 0.000 0.985 329 D HN 0.069 nan 8.370 nan 0.000 0.493 330 R N -0.471 119.859 120.500 -0.283 0.000 2.090 330 R HA -0.020 4.365 4.340 0.075 0.000 0.228 330 R C 0.119 176.282 176.300 -0.228 0.000 1.110 330 R CA 0.590 56.494 56.100 -0.327 0.000 0.973 330 R CB 0.138 30.100 30.300 -0.564 0.000 0.869 330 R HN 0.177 nan 8.270 nan 0.000 0.440 331 Y N 0.182 120.383 120.300 -0.165 0.000 2.353 331 Y HA 0.200 4.796 4.550 0.077 0.000 0.340 331 Y C 1.187 176.962 175.900 -0.208 0.000 0.972 331 Y CA -1.173 56.781 58.100 -0.245 0.000 1.157 331 Y CB 2.054 40.384 38.460 -0.217 0.000 1.157 331 Y HN 0.003 nan 8.280 nan 0.000 0.495 332 S N 1.464 117.101 115.700 -0.104 0.000 2.419 332 S HA -0.193 4.322 4.470 0.075 0.000 0.235 332 S C 1.991 176.546 174.600 -0.075 0.000 1.019 332 S CA 1.081 59.244 58.200 -0.062 0.000 0.982 332 S CB -0.120 63.088 63.200 0.013 0.000 0.789 332 S HN 0.690 nan 8.310 nan 0.000 0.490 333 V N 2.615 122.464 119.914 -0.110 0.000 2.688 333 V HA -0.172 3.993 4.120 0.075 0.000 0.256 333 V C 1.144 177.151 176.094 -0.146 0.000 1.084 333 V CA 1.685 63.898 62.300 -0.145 0.000 1.103 333 V CB -0.696 30.982 31.823 -0.242 0.000 0.688 333 V HN 0.532 nan 8.190 nan 0.000 0.480 334 N N -0.268 118.406 118.700 -0.043 0.000 2.398 334 N HA -0.034 4.751 4.740 0.075 0.000 0.188 334 N C 1.752 177.204 175.510 -0.096 0.000 1.122 334 N CA 0.720 53.784 53.050 0.024 0.000 0.866 334 N CB 0.094 38.688 38.487 0.177 0.000 0.970 334 N HN 0.637 nan 8.380 nan 0.000 0.462 335 S N 0.159 115.776 115.700 -0.137 0.000 2.419 335 S HA -0.069 4.446 4.470 0.075 0.000 0.233 335 S C 1.763 176.297 174.600 -0.111 0.000 1.016 335 S CA 0.789 58.932 58.200 -0.094 0.000 0.974 335 S CB -0.039 63.116 63.200 -0.076 0.000 0.786 335 S HN 0.290 nan 8.310 nan 0.000 0.492 336 A N -0.539 122.146 122.820 -0.225 0.000 2.348 336 A HA 0.451 4.816 4.320 0.075 0.000 0.224 336 A C -0.313 177.199 177.584 -0.120 0.000 1.227 336 A CA -0.497 51.431 52.037 -0.181 0.000 0.885 336 A CB -0.196 18.677 19.000 -0.211 0.000 0.933 336 A HN 0.464 nan 8.150 nan 0.000 0.506 337 Y N 1.018 121.313 120.300 -0.008 0.000 2.365 337 Y HA 0.236 4.830 4.550 0.074 0.000 0.340 337 Y C 1.757 177.664 175.900 0.012 0.000 1.016 337 Y CA -0.521 57.568 58.100 -0.018 0.000 1.196 337 Y CB 1.044 39.475 38.460 -0.049 0.000 1.167 337 Y HN 0.295 nan 8.280 nan 0.000 0.509 338 S N 1.323 117.140 115.700 0.194 0.000 2.470 338 S HA 0.252 4.766 4.470 0.075 0.000 0.225 338 S C 1.090 175.832 174.600 0.236 0.000 1.006 338 S CA 0.508 58.804 58.200 0.160 0.000 0.934 338 S CB 0.046 63.312 63.200 0.109 0.000 0.778 338 S HN 0.622 nan 8.310 nan 0.000 0.517 339 A N 1.765 124.692 122.820 0.178 0.000 3.132 339 A HA 0.817 5.182 4.320 0.075 0.000 0.202 339 A C 1.022 178.520 177.584 -0.144 0.000 1.689 339 A CA -0.027 52.142 52.037 0.220 0.000 1.770 339 A CB -0.834 18.270 19.000 0.173 0.000 1.510 339 A HN 0.590 nan 8.150 nan 0.000 0.470 340 G N -1.395 106.974 108.800 -0.718 0.000 2.684 340 G HA2 0.601 4.606 3.960 0.075 0.000 0.255 340 G HA3 0.601 4.606 3.960 0.075 0.000 0.255 340 G C -0.134 174.139 174.900 -1.045 0.000 1.219 340 G CA 0.633 44.710 45.100 -1.705 0.000 0.901 340 G HN 1.745 nan 8.290 nan 0.000 0.548 341 A N -1.223 121.085 122.820 -0.852 0.000 2.581 341 A HA 0.820 5.185 4.320 0.075 0.000 0.290 341 A C -0.203 177.330 177.584 -0.085 0.000 1.119 341 A CA -0.055 51.766 52.037 -0.360 0.000 0.670 341 A CB 0.602 19.581 19.000 -0.035 0.000 1.280 341 A HN 2.112 nan 8.150 nan 0.000 0.425 342 A N 0.756 123.597 122.820 0.035 0.000 2.409 342 A HA 0.564 4.929 4.320 0.075 0.000 0.267 342 A C -0.246 177.432 177.584 0.156 0.000 1.127 342 A CA 0.065 52.133 52.037 0.051 0.000 0.795 342 A CB -0.453 18.514 19.000 -0.056 0.000 1.061 342 A HN 0.630 nan 8.150 nan 0.000 0.502 343 I N 2.592 123.246 120.570 0.139 0.000 2.493 343 I HA 0.501 4.716 4.170 0.075 0.000 0.298 343 I C 0.982 177.182 176.117 0.137 0.000 0.998 343 I CA -0.162 61.246 61.300 0.180 0.000 1.137 343 I CB 1.142 39.243 38.000 0.169 0.000 1.310 343 I HN 0.716 nan 8.210 nan 0.000 0.445 344 G N 5.113 114.008 108.800 0.159 0.000 2.782 344 G HA2 0.450 4.455 3.960 0.075 0.000 0.201 344 G HA3 0.450 4.455 3.960 0.075 0.000 0.201 344 G C 0.749 175.477 174.900 -0.288 0.000 1.374 344 G CA -0.264 44.813 45.100 -0.039 0.000 1.039 344 G HN 0.554 nan 8.290 nan 0.000 0.576 345 R N -1.360 118.781 120.500 -0.599 0.000 2.062 345 R HA 0.205 4.590 4.340 0.075 0.000 0.218 345 R C -0.178 176.040 176.300 -0.138 0.000 1.161 345 R CA 0.894 56.572 56.100 -0.703 0.000 0.994 345 R CB -0.055 29.340 30.300 -1.510 0.000 0.888 345 R HN 0.611 nan 8.270 nan 0.000 0.442 346 Y N -3.964 116.207 120.300 -0.215 0.000 2.581 346 Y HA 0.411 5.005 4.550 0.073 0.000 0.337 346 Y C -2.709 173.155 175.900 -0.060 0.000 1.108 346 Y CA -2.981 55.073 58.100 -0.077 0.000 1.033 346 Y CB 0.925 39.378 38.460 -0.012 0.000 1.318 346 Y HN -0.192 nan 8.280 nan 0.000 0.459 347 P HA -0.072 nan 4.420 nan 0.000 0.220 347 P C 0.220 177.521 177.300 0.001 0.000 1.148 347 P CA 1.748 64.832 63.100 -0.026 0.000 0.803 347 P CB 0.325 32.017 31.700 -0.014 0.000 0.782 348 E N -1.094 119.194 120.200 0.147 0.000 2.502 348 E HA -0.004 4.391 4.350 0.075 0.000 0.194 348 E C 0.365 177.020 176.600 0.093 0.000 1.062 348 E CA 0.076 56.581 56.400 0.175 0.000 0.867 348 E CB -0.729 29.139 29.700 0.279 0.000 0.888 348 E HN 0.230 nan 8.360 nan 0.000 0.510 349 D N 0.193 120.406 120.400 -0.312 0.000 2.425 349 D HA -0.032 4.653 4.640 0.075 0.000 0.247 349 D C 0.884 177.101 176.300 -0.138 0.000 1.147 349 D CA -0.002 53.674 54.000 -0.540 0.000 0.879 349 D CB 1.361 41.518 40.800 -1.072 0.000 1.179 349 D HN 0.005 nan 8.370 nan 0.000 0.456 350 V N 2.616 122.529 119.914 -0.002 0.000 3.605 350 V HA 0.247 4.412 4.120 0.075 0.000 0.284 350 V C 0.376 176.539 176.094 0.115 0.000 1.386 350 V CA -0.459 61.875 62.300 0.058 0.000 1.053 350 V CB -1.004 30.871 31.823 0.087 0.000 0.857 350 V HN 0.461 nan 8.190 nan 0.000 0.436 351 Y N 4.928 125.224 120.300 -0.006 0.000 2.496 351 Y HA 0.342 4.933 4.550 0.068 0.000 0.334 351 Y C 1.227 177.147 175.900 0.032 0.000 1.080 351 Y CA -0.434 57.691 58.100 0.040 0.000 1.355 351 Y CB 0.663 39.175 38.460 0.087 0.000 1.193 351 Y HN 0.537 nan 8.280 nan 0.000 0.523 352 N N 3.043 121.564 118.700 -0.298 0.000 2.280 352 N HA 0.195 4.979 4.740 0.075 0.000 0.192 352 N C 1.141 176.313 175.510 -0.564 0.000 1.109 352 N CA 0.520 53.366 53.050 -0.340 0.000 0.855 352 N CB 0.517 38.910 38.487 -0.157 0.000 0.974 352 N HN 0.877 nan 8.380 nan 0.000 0.482 353 G N -0.292 107.811 108.800 -1.163 0.000 2.218 353 G HA2 -0.245 3.759 3.960 0.075 0.000 0.216 353 G HA3 -0.245 3.759 3.960 0.075 0.000 0.216 353 G C -0.068 174.563 174.900 -0.448 0.000 0.994 353 G CA 0.187 44.724 45.100 -0.939 0.000 0.637 353 G HN 0.539 nan 8.290 nan 0.000 0.505 354 D N -0.788 119.454 120.400 -0.263 0.000 3.285 354 D HA 0.534 5.218 4.640 0.075 0.000 0.314 354 D C 0.570 176.925 176.300 0.092 0.000 1.601 354 D CA 1.580 55.598 54.000 0.031 0.000 0.772 354 D CB -0.073 40.723 40.800 -0.006 0.000 1.312 354 D HN 1.524 nan 8.370 nan 0.000 0.550 355 G N -0.712 108.183 108.800 0.157 0.000 2.340 355 G HA2 0.325 4.330 3.960 0.075 0.000 0.282 355 G HA3 0.325 4.330 3.960 0.075 0.000 0.282 355 G C -1.336 173.665 174.900 0.168 0.000 1.312 355 G CA -0.516 44.679 45.100 0.159 0.000 0.942 355 G HN 0.111 nan 8.290 nan 0.000 0.495 356 S N -0.234 115.542 115.700 0.126 0.000 2.502 356 S HA 0.842 5.357 4.470 0.075 0.000 0.304 356 S C 0.603 175.244 174.600 0.069 0.000 1.097 356 S CA 0.380 58.651 58.200 0.118 0.000 1.045 356 S CB 1.741 65.012 63.200 0.119 0.000 1.019 356 S HN 1.805 nan 8.310 nan 0.000 0.481 357 S N 2.879 118.612 115.700 0.055 0.000 6.155 357 S HA 0.329 4.844 4.470 0.075 0.000 0.106 357 S C -0.884 173.744 174.600 0.047 0.000 1.181 357 S CA -0.602 57.625 58.200 0.045 0.000 1.352 357 S CB 0.314 63.533 63.200 0.033 0.000 2.017 357 S HN 0.552 nan 8.310 nan 0.000 0.611 358 E N 0.811 121.033 120.200 0.036 0.000 2.293 358 E HA 0.602 4.997 4.350 0.075 0.000 0.270 358 E C -0.444 176.148 176.600 -0.012 0.000 0.879 358 E CA -0.792 55.626 56.400 0.030 0.000 0.756 358 E CB 2.044 31.779 29.700 0.059 0.000 1.208 358 E HN 0.629 nan 8.360 nan 0.000 0.428 359 G N 1.926 110.709 108.800 -0.029 0.000 2.606 359 G HA2 0.160 4.165 3.960 0.075 0.000 0.252 359 G HA3 0.160 4.165 3.960 0.075 0.000 0.252 359 G C -0.167 174.659 174.900 -0.122 0.000 1.206 359 G CA -0.252 44.807 45.100 -0.069 0.000 0.861 359 G HN 0.383 nan 8.290 nan 0.000 0.561 360 N N -0.080 118.515 118.700 -0.176 0.000 2.381 360 N HA 0.503 5.288 4.740 0.075 0.000 0.294 360 N C -2.707 172.553 175.510 -0.416 0.000 1.216 360 N CA -1.282 51.513 53.050 -0.424 0.000 0.803 360 N CB 2.326 40.594 38.487 -0.365 0.000 1.372 360 N HN 0.225 nan 8.380 nan 0.000 0.500 361 P HA 0.123 nan 4.420 nan 0.000 0.269 361 P C -0.854 176.374 177.300 -0.120 0.000 1.215 361 P CA 0.119 62.999 63.100 -0.366 0.000 0.780 361 P CB 0.526 31.933 31.700 -0.488 0.000 0.898 362 W N 1.174 122.256 121.300 -0.363 0.000 2.632 362 W HA 0.353 5.061 4.660 0.080 0.000 0.328 362 W C 1.076 177.436 176.519 -0.264 0.000 1.044 362 W CA -0.485 56.671 57.345 -0.315 0.000 1.225 362 W CB 0.252 29.541 29.460 -0.285 0.000 1.396 362 W HN 0.321 nan 8.180 nan 0.000 0.499 363 F N 1.823 121.750 119.950 -0.039 0.000 2.126 363 F HA -0.249 4.327 4.527 0.081 0.000 0.299 363 F C 2.227 178.022 175.800 -0.007 0.000 1.096 363 F CA 1.900 59.879 58.000 -0.035 0.000 1.255 363 F CB -0.901 38.040 39.000 -0.098 0.000 0.997 363 F HN 0.269 nan 8.300 nan 0.000 0.479 364 L N -0.725 120.597 121.223 0.165 0.000 2.056 364 L HA 0.069 4.454 4.340 0.075 0.000 0.207 364 L C 2.271 179.233 176.870 0.154 0.000 1.078 364 L CA 1.880 56.735 54.840 0.025 0.000 0.749 364 L CB -1.813 40.130 42.059 -0.194 0.000 0.901 364 L HN -0.048 nan 8.230 nan 0.000 0.433 365 A N -0.225 122.718 122.820 0.205 0.000 1.972 365 A HA -0.122 4.243 4.320 0.075 0.000 0.219 365 A C 2.296 180.039 177.584 0.264 0.000 1.169 365 A CA 2.152 54.341 52.037 0.253 0.000 0.635 365 A CB -1.282 17.783 19.000 0.108 0.000 0.810 365 A HN 0.576 nan 8.150 nan 0.000 0.446 366 T N 0.071 114.721 114.554 0.160 0.000 2.812 366 T HA 0.066 4.461 4.350 0.075 0.000 0.264 366 T C 2.226 176.967 174.700 0.070 0.000 1.042 366 T CA 1.364 63.538 62.100 0.124 0.000 1.140 366 T CB -0.335 68.597 68.868 0.106 0.000 0.870 366 T HN 0.568 nan 8.240 nan 0.000 0.445 367 A N 0.516 123.376 122.820 0.067 0.000 1.898 367 A HA -0.026 4.339 4.320 0.075 0.000 0.216 367 A C 2.004 179.558 177.584 -0.049 0.000 1.181 367 A CA 1.161 53.192 52.037 -0.010 0.000 0.620 367 A CB -0.997 17.959 19.000 -0.073 0.000 0.819 367 A HN 0.504 nan 8.150 nan 0.000 0.442 368 Y N 0.117 120.491 120.300 0.124 0.000 2.256 368 Y HA -0.110 4.484 4.550 0.073 0.000 0.288 368 Y C 2.827 178.769 175.900 0.069 0.000 1.155 368 Y CA 0.620 58.834 58.100 0.191 0.000 1.203 368 Y CB -0.630 38.025 38.460 0.326 0.000 0.980 368 Y HN 0.334 nan 8.280 nan 0.000 0.530 369 A N -0.236 122.595 122.820 0.017 0.000 1.969 369 A HA -0.035 4.330 4.320 0.075 0.000 0.218 369 A C 2.448 179.454 177.584 -0.964 0.000 1.169 369 A CA 1.411 53.093 52.037 -0.591 0.000 0.635 369 A CB -1.019 17.413 19.000 -0.947 0.000 0.810 369 A HN 0.375 nan 8.150 nan 0.000 0.445 370 A N -0.420 121.987 122.820 -0.688 0.000 1.898 370 A HA -0.201 4.164 4.320 0.075 0.000 0.216 370 A C 2.079 179.280 177.584 -0.637 0.000 1.181 370 A CA 1.586 53.252 52.037 -0.617 0.000 0.620 370 A CB -0.540 18.276 19.000 -0.308 0.000 0.819 370 A HN 0.634 nan 8.150 nan 0.000 0.442 371 Q N -0.398 119.261 119.800 -0.236 0.000 2.170 371 Q HA -0.102 4.283 4.340 0.075 0.000 0.203 371 Q C 2.072 178.047 176.000 -0.043 0.000 0.976 371 Q CA 1.394 57.200 55.803 0.006 0.000 0.858 371 Q CB -0.413 28.436 28.738 0.184 0.000 0.907 371 Q HN 0.506 nan 8.270 nan 0.000 0.433 372 V N 1.960 121.743 119.914 -0.218 0.000 2.219 372 V HA -0.229 3.936 4.120 0.075 0.000 0.248 372 V C -0.722 175.271 176.094 -0.168 0.000 1.053 372 V CA 2.327 64.437 62.300 -0.316 0.000 1.009 372 V CB -1.576 29.696 31.823 -0.919 0.000 0.636 372 V HN 0.362 nan 8.190 nan 0.000 0.445 373 P HA -0.139 nan 4.420 nan 0.000 0.219 373 P C 1.391 178.803 177.300 0.188 0.000 1.150 373 P CA 1.523 64.682 63.100 0.098 0.000 0.814 373 P CB -0.160 31.713 31.700 0.290 0.000 0.787 374 Y N 1.273 121.628 120.300 0.091 0.000 2.165 374 Y HA -0.147 4.447 4.550 0.073 0.000 0.286 374 Y C 2.736 178.719 175.900 0.138 0.000 1.155 374 Y CA 0.726 58.890 58.100 0.106 0.000 1.164 374 Y CB -1.362 37.144 38.460 0.077 0.000 0.978 374 Y HN 0.006 nan 8.280 nan 0.000 0.513 375 K N 0.207 120.774 120.400 0.278 0.000 2.103 375 K HA -0.086 4.278 4.320 0.075 0.000 0.204 375 K C 2.023 178.755 176.600 0.220 0.000 1.052 375 K CA 0.659 57.093 56.287 0.246 0.000 0.945 375 K CB -0.273 32.334 32.500 0.178 0.000 0.722 375 K HN 0.228 nan 8.250 nan 0.000 0.443 376 L N 0.560 121.881 121.223 0.162 0.000 2.013 376 L HA -0.244 4.141 4.340 0.075 0.000 0.212 376 L C 2.602 179.554 176.870 0.137 0.000 1.073 376 L CA 1.593 56.521 54.840 0.146 0.000 0.753 376 L CB -0.585 41.570 42.059 0.160 0.000 0.890 376 L HN 0.301 nan 8.230 nan 0.000 0.432 377 A N -1.082 121.832 122.820 0.157 0.000 1.872 377 A HA -0.256 4.109 4.320 0.075 0.000 0.214 377 A C 2.175 179.834 177.584 0.125 0.000 1.187 377 A CA 1.326 53.423 52.037 0.099 0.000 0.614 377 A CB -0.873 18.206 19.000 0.132 0.000 0.826 377 A HN 0.454 nan 8.150 nan 0.000 0.442 378 Y N 1.334 121.695 120.300 0.100 0.000 2.128 378 Y HA -0.254 4.342 4.550 0.077 0.000 0.284 378 Y C 1.894 177.855 175.900 0.102 0.000 1.154 378 Y CA 2.188 60.345 58.100 0.096 0.000 1.149 378 Y CB -0.254 38.263 38.460 0.094 0.000 0.976 378 Y HN 0.350 nan 8.280 nan 0.000 0.505 379 D N 0.167 120.635 120.400 0.114 0.000 2.104 379 D HA -0.201 4.484 4.640 0.075 0.000 0.194 379 D C 2.293 178.589 176.300 -0.007 0.000 0.994 379 D CA 1.627 55.653 54.000 0.043 0.000 0.830 379 D CB -0.700 40.171 40.800 0.119 0.000 0.959 379 D HN 0.495 nan 8.370 nan 0.000 0.452 380 A N 1.008 123.868 122.820 0.066 0.000 1.858 380 A HA -0.194 4.171 4.320 0.075 0.000 0.216 380 A C 2.088 179.820 177.584 0.247 0.000 1.190 380 A CA 1.507 53.655 52.037 0.186 0.000 0.617 380 A CB -0.367 18.753 19.000 0.199 0.000 0.827 380 A HN 0.110 nan 8.150 nan 0.000 0.443 381 K N 0.158 120.667 120.400 0.183 0.000 2.057 381 K HA -0.114 4.251 4.320 0.075 0.000 0.206 381 K C 2.490 179.071 176.600 -0.033 0.000 1.050 381 K CA 1.594 57.988 56.287 0.177 0.000 0.935 381 K CB -0.235 32.336 32.500 0.118 0.000 0.715 381 K HN 0.664 nan 8.250 nan 0.000 0.439 382 S N 0.702 116.251 115.700 -0.251 0.000 2.382 382 S HA -0.085 4.430 4.470 0.075 0.000 0.228 382 S C 2.026 176.535 174.600 -0.152 0.000 1.027 382 S CA 1.054 59.060 58.200 -0.323 0.000 0.991 382 S CB -0.053 62.668 63.200 -0.799 0.000 0.823 382 S HN 0.273 nan 8.310 nan 0.000 0.469 383 A N 0.195 122.952 122.820 -0.105 0.000 2.308 383 A HA 0.608 4.973 4.320 0.075 0.000 0.217 383 A C 1.202 178.764 177.584 -0.037 0.000 1.216 383 A CA 0.619 52.628 52.037 -0.047 0.000 0.864 383 A CB -0.530 18.456 19.000 -0.022 0.000 0.902 383 A HN 0.952 nan 8.150 nan 0.000 0.499 384 S N -0.396 115.280 115.700 -0.040 0.000 3.641 384 S HA -0.185 4.330 4.470 0.075 0.000 0.346 384 S C -0.085 174.473 174.600 -0.070 0.000 1.074 384 S CA 0.890 59.037 58.200 -0.088 0.000 1.026 384 S CB -2.274 60.863 63.200 -0.104 0.000 0.908 384 S HN 0.805 nan 8.310 nan 0.000 0.479 385 N N 1.093 119.800 118.700 0.011 0.000 2.515 385 N HA 0.272 5.057 4.740 0.075 0.000 0.279 385 N C -0.465 175.114 175.510 0.114 0.000 1.164 385 N CA -0.871 52.203 53.050 0.040 0.000 0.982 385 N CB 0.460 38.981 38.487 0.056 0.000 1.170 385 N HN 0.287 nan 8.380 nan 0.000 0.474 386 D N 1.042 121.496 120.400 0.089 0.000 2.357 386 D HA 0.160 4.845 4.640 0.075 0.000 0.242 386 D C 0.000 176.422 176.300 0.203 0.000 1.153 386 D CA 0.293 54.388 54.000 0.158 0.000 0.918 386 D CB 1.028 41.873 40.800 0.075 0.000 1.181 386 D HN 0.286 nan 8.370 nan 0.000 0.435 387 I N 1.092 121.802 120.570 0.232 0.000 2.325 387 I HA 0.083 4.298 4.170 0.075 0.000 0.291 387 I C 0.417 176.552 176.117 0.031 0.000 1.019 387 I CA 0.034 61.392 61.300 0.096 0.000 1.302 387 I CB 0.971 38.976 38.000 0.008 0.000 1.401 387 I HN -0.027 nan 8.210 nan 0.000 0.485 388 T N 7.560 122.121 114.554 0.012 0.000 2.779 388 T HA 0.584 4.979 4.350 0.075 0.000 0.280 388 T C -0.144 174.522 174.700 -0.056 0.000 0.987 388 T CA -0.304 61.789 62.100 -0.013 0.000 0.966 388 T CB 0.897 69.770 68.868 0.008 0.000 0.933 388 T HN 0.261 nan 8.240 nan 0.000 0.442 389 I N 3.947 124.459 120.570 -0.096 0.000 2.382 389 I HA 0.299 4.514 4.170 0.075 0.000 0.285 389 I C 0.525 176.640 176.117 -0.004 0.000 1.007 389 I CA -0.758 60.455 61.300 -0.145 0.000 1.142 389 I CB 1.083 38.834 38.000 -0.414 0.000 1.289 389 I HN 0.514 nan 8.210 nan 0.000 0.453 390 N N 5.985 124.652 118.700 -0.055 0.000 2.508 390 N HA 0.015 4.800 4.740 0.075 0.000 0.264 390 N C 1.228 176.477 175.510 -0.436 0.000 1.216 390 N CA -0.045 52.912 53.050 -0.155 0.000 0.943 390 N CB 1.222 39.622 38.487 -0.145 0.000 1.113 390 N HN 0.675 nan 8.380 nan 0.000 0.447 391 K N 2.972 122.943 120.400 -0.714 0.000 2.160 391 K HA -0.158 4.207 4.320 0.075 0.000 0.206 391 K C 1.758 177.970 176.600 -0.648 0.000 1.047 391 K CA 1.332 56.825 56.287 -1.324 0.000 0.930 391 K CB -0.228 31.846 32.500 -0.710 0.000 0.720 391 K HN 0.546 nan 8.250 nan 0.000 0.450 392 I N 1.996 122.375 120.570 -0.318 0.000 2.315 392 I HA -0.283 3.932 4.170 0.075 0.000 0.251 392 I C 0.910 177.011 176.117 -0.028 0.000 1.125 392 I CA 1.601 62.819 61.300 -0.137 0.000 1.392 392 I CB -0.412 37.492 38.000 -0.160 0.000 1.065 392 I HN 0.364 nan 8.210 nan 0.000 0.424 393 N N -1.146 117.548 118.700 -0.009 0.000 2.268 393 N HA 0.057 4.841 4.740 0.075 0.000 0.204 393 N C 1.242 176.976 175.510 0.372 0.000 1.124 393 N CA -0.088 53.091 53.050 0.215 0.000 0.838 393 N CB 0.146 38.845 38.487 0.352 0.000 0.994 393 N HN 0.369 nan 8.380 nan 0.000 0.489 394 Y N 0.939 121.330 120.300 0.153 0.000 2.181 394 Y HA -0.191 4.404 4.550 0.075 0.000 0.288 394 Y C 1.590 177.528 175.900 0.064 0.000 1.146 394 Y CA 0.274 58.449 58.100 0.124 0.000 1.164 394 Y CB 0.124 38.698 38.460 0.190 0.000 0.982 394 Y HN 0.140 nan 8.280 nan 0.000 0.515 395 D N 0.211 120.725 120.400 0.189 0.000 2.123 395 D HA -0.209 4.476 4.640 0.075 0.000 0.196 395 D C 1.794 177.933 176.300 -0.268 0.000 0.992 395 D CA 1.240 55.249 54.000 0.015 0.000 0.833 395 D CB -0.753 40.106 40.800 0.098 0.000 0.954 395 D HN 0.318 nan 8.370 nan 0.000 0.455 396 F N 0.304 119.866 119.950 -0.647 0.000 2.069 396 F HA -0.253 4.319 4.527 0.075 0.000 0.298 396 F C 2.117 177.705 175.800 -0.353 0.000 1.113 396 F CA 1.410 58.927 58.000 -0.805 0.000 1.214 396 F CB -0.350 38.282 39.000 -0.612 0.000 0.978 396 F HN -0.151 nan 8.300 nan 0.000 0.474 397 F N 1.069 120.707 119.950 -0.519 0.000 2.102 397 F HA -0.218 4.355 4.527 0.076 0.000 0.298 397 F C 2.330 177.847 175.800 -0.471 0.000 1.105 397 F CA 1.624 59.281 58.000 -0.572 0.000 1.239 397 F CB -0.878 37.966 39.000 -0.259 0.000 0.991 397 F HN 0.001 nan 8.300 nan 0.000 0.474 398 N N 0.203 118.800 118.700 -0.173 0.000 2.289 398 N HA -0.173 4.612 4.740 0.075 0.000 0.184 398 N C 1.761 177.105 175.510 -0.275 0.000 1.016 398 N CA 1.022 53.951 53.050 -0.203 0.000 0.872 398 N CB -0.263 38.149 38.487 -0.126 0.000 0.973 398 N HN 0.316 nan 8.380 nan 0.000 0.433 399 K N -0.943 119.218 120.400 -0.397 0.000 2.186 399 K HA 0.007 4.372 4.320 0.075 0.000 0.202 399 K C 0.833 176.956 176.600 -0.794 0.000 1.052 399 K CA 0.875 56.814 56.287 -0.581 0.000 0.965 399 K CB 0.198 32.300 32.500 -0.664 0.000 0.746 399 K HN 0.182 nan 8.250 nan 0.000 0.457 400 Y N -1.566 118.420 120.300 -0.525 0.000 2.452 400 Y HA 0.185 4.781 4.550 0.076 0.000 0.262 400 Y C 1.396 176.893 175.900 -0.672 0.000 1.089 400 Y CA -0.660 57.031 58.100 -0.683 0.000 1.262 400 Y CB 0.882 38.611 38.460 -1.218 0.000 1.236 400 Y HN -0.048 nan 8.280 nan 0.000 0.512 401 I N -1.732 118.536 120.570 -0.505 0.000 3.570 401 I HA 0.216 4.431 4.170 0.075 0.000 0.270 401 I C -0.020 176.008 176.117 -0.150 0.000 1.162 401 I CA 0.449 61.543 61.300 -0.343 0.000 1.413 401 I CB 0.424 38.155 38.000 -0.449 0.000 1.437 401 I HN -0.183 nan 8.210 nan 0.000 0.457 402 V N 0.940 120.773 119.914 -0.135 0.000 3.077 402 V HA 0.315 4.480 4.120 0.075 0.000 0.299 402 V C -1.674 174.328 176.094 -0.153 0.000 1.276 402 V CA -0.752 61.485 62.300 -0.105 0.000 0.993 402 V CB 2.525 34.309 31.823 -0.064 0.000 1.076 402 V HN 0.269 nan 8.190 nan 0.000 0.434 403 D N 4.379 124.691 120.400 -0.146 0.000 2.348 403 D HA 0.180 4.865 4.640 0.075 0.000 0.259 403 D C 1.198 177.345 176.300 -0.254 0.000 1.296 403 D CA 0.260 54.154 54.000 -0.175 0.000 0.931 403 D CB 0.765 41.496 40.800 -0.116 0.000 1.067 403 D HN 0.541 nan 8.370 nan 0.000 0.503 404 L N 2.756 123.715 121.223 -0.440 0.000 2.187 404 L HA -0.206 4.179 4.340 0.075 0.000 0.213 404 L C 2.438 178.979 176.870 -0.548 0.000 1.100 404 L CA 1.195 55.641 54.840 -0.657 0.000 0.765 404 L CB -0.420 40.892 42.059 -1.245 0.000 0.904 404 L HN 0.413 nan 8.230 nan 0.000 0.437 405 S N -1.409 114.075 115.700 -0.361 0.000 2.447 405 S HA -0.170 4.345 4.470 0.075 0.000 0.233 405 S C 2.002 176.572 174.600 -0.049 0.000 1.006 405 S CA 1.276 59.453 58.200 -0.038 0.000 0.957 405 S CB -0.765 62.491 63.200 0.094 0.000 0.773 405 S HN 0.590 nan 8.310 nan 0.000 0.507 406 T N -0.146 114.353 114.554 -0.091 0.000 3.023 406 T HA 0.159 4.554 4.350 0.075 0.000 0.266 406 T C 1.684 176.347 174.700 -0.060 0.000 1.093 406 T CA 0.450 62.514 62.100 -0.061 0.000 1.129 406 T CB -0.410 68.423 68.868 -0.058 0.000 0.899 406 T HN 0.308 nan 8.240 nan 0.000 0.491 407 I N 1.396 121.908 120.570 -0.096 0.000 2.296 407 I HA 0.217 4.432 4.170 0.075 0.000 0.242 407 I C 0.997 177.085 176.117 -0.049 0.000 1.087 407 I CA 0.715 61.968 61.300 -0.079 0.000 1.393 407 I CB -1.048 36.878 38.000 -0.124 0.000 1.093 407 I HN 0.360 nan 8.210 nan 0.000 0.421 408 N N 0.490 119.162 118.700 -0.048 0.000 2.533 408 N HA 0.038 4.822 4.740 0.075 0.000 0.289 408 N C 0.736 176.289 175.510 0.072 0.000 1.103 408 N CA 0.249 53.304 53.050 0.008 0.000 0.877 408 N CB 1.717 40.213 38.487 0.015 0.000 1.419 408 N HN 0.021 nan 8.380 nan 0.000 0.517 409 S N 1.965 117.697 115.700 0.054 0.000 2.447 409 S HA -0.059 4.456 4.470 0.075 0.000 0.233 409 S C 1.256 175.892 174.600 0.059 0.000 1.006 409 S CA 0.989 59.231 58.200 0.071 0.000 0.957 409 S CB 0.060 63.276 63.200 0.028 0.000 0.773 409 S HN 0.518 nan 8.310 nan 0.000 0.507 410 A N 0.636 123.475 122.820 0.032 0.000 2.507 410 A HA 0.431 4.796 4.320 0.075 0.000 0.270 410 A C 1.301 178.844 177.584 -0.068 0.000 1.318 410 A CA -0.149 51.868 52.037 -0.033 0.000 0.924 410 A CB -0.945 18.045 19.000 -0.016 0.000 1.061 410 A HN 0.778 nan 8.150 nan 0.000 0.516 411 Y N -0.490 119.744 120.300 -0.110 0.000 2.256 411 Y HA -0.260 4.335 4.550 0.075 0.000 0.288 411 Y C 1.819 177.665 175.900 -0.090 0.000 1.155 411 Y CA 1.885 59.880 58.100 -0.175 0.000 1.203 411 Y CB -0.598 37.622 38.460 -0.401 0.000 0.980 411 Y HN 0.388 nan 8.280 nan 0.000 0.530 412 Q N 0.480 119.728 119.800 -0.919 0.000 2.291 412 Q HA -0.080 4.305 4.340 0.075 0.000 0.205 412 Q C 1.907 177.820 176.000 -0.145 0.000 0.970 412 Q CA 1.373 56.860 55.803 -0.527 0.000 0.876 412 Q CB -0.100 28.290 28.738 -0.580 0.000 0.935 412 Q HN 0.505 nan 8.270 nan 0.000 0.455 413 S N 0.174 115.803 115.700 -0.119 0.000 2.593 413 S HA 0.049 4.564 4.470 0.075 0.000 0.217 413 S C 0.385 174.993 174.600 0.014 0.000 0.966 413 S CA -0.103 58.074 58.200 -0.040 0.000 0.914 413 S CB 0.290 63.463 63.200 -0.045 0.000 0.776 413 S HN 0.276 nan 8.310 nan 0.000 0.523 414 S N 0.731 116.470 115.700 0.065 0.000 2.568 414 S HA 0.453 4.968 4.470 0.075 0.000 0.302 414 S C -0.229 174.456 174.600 0.141 0.000 1.082 414 S CA -0.846 57.412 58.200 0.096 0.000 1.009 414 S CB 1.334 64.598 63.200 0.106 0.000 1.069 414 S HN -0.086 nan 8.310 nan 0.000 0.500 415 D N 1.319 121.764 120.400 0.076 0.000 2.312 415 D HA 0.078 4.763 4.640 0.075 0.000 0.211 415 D C 0.765 177.077 176.300 0.020 0.000 0.964 415 D CA 1.127 55.140 54.000 0.022 0.000 0.877 415 D CB 0.090 40.891 40.800 0.002 0.000 0.924 415 D HN 0.685 nan 8.370 nan 0.000 0.515 416 S N -1.627 114.148 115.700 0.124 0.000 2.588 416 S HA 0.525 5.040 4.470 0.075 0.000 0.269 416 S C -1.089 173.629 174.600 0.197 0.000 1.157 416 S CA -0.975 57.318 58.200 0.155 0.000 0.824 416 S CB 2.128 65.358 63.200 0.049 0.000 1.126 416 S HN -0.206 nan 8.310 nan 0.000 0.464 417 V N 1.545 121.561 119.914 0.170 0.000 2.448 417 V HA 0.664 4.829 4.120 0.075 0.000 0.295 417 V C -0.394 175.706 176.094 0.010 0.000 1.025 417 V CA -0.318 62.019 62.300 0.061 0.000 0.859 417 V CB 1.760 33.569 31.823 -0.023 0.000 0.988 417 V HN 1.032 nan 8.190 nan 0.000 0.431 418 T N 6.386 120.947 114.554 0.013 0.000 2.779 418 T HA 0.637 5.032 4.350 0.075 0.000 0.280 418 T C -0.312 174.403 174.700 0.025 0.000 0.987 418 T CA -0.127 61.983 62.100 0.016 0.000 0.966 418 T CB 0.753 69.634 68.868 0.022 0.000 0.933 418 T HN 0.401 nan 8.240 nan 0.000 0.442 419 I N 3.674 124.276 120.570 0.054 0.000 2.355 419 I HA 0.334 4.549 4.170 0.075 0.000 0.288 419 I C 0.410 176.637 176.117 0.184 0.000 0.999 419 I CA -1.028 60.335 61.300 0.104 0.000 1.163 419 I CB 1.188 39.249 38.000 0.102 0.000 1.316 419 I HN 0.253 nan 8.210 nan 0.000 0.454 420 K N 4.115 124.572 120.400 0.094 0.000 2.368 420 K HA 0.151 4.516 4.320 0.075 0.000 0.282 420 K C 0.297 176.778 176.600 -0.199 0.000 1.035 420 K CA -0.130 56.149 56.287 -0.014 0.000 0.973 420 K CB 1.340 33.816 32.500 -0.039 0.000 0.957 420 K HN 0.593 nan 8.250 nan 0.000 0.474 421 S N 1.153 116.552 115.700 -0.502 0.000 2.573 421 S HA 0.104 4.619 4.470 0.075 0.000 0.297 421 S C 1.315 175.502 174.600 -0.689 0.000 1.280 421 S CA 1.372 58.859 58.200 -1.189 0.000 1.061 421 S CB -0.161 62.609 63.200 -0.718 0.000 0.812 421 S HN 0.852 nan 8.310 nan 0.000 0.500 422 G N 2.882 111.269 108.800 -0.688 0.000 2.225 422 G HA2 -0.289 3.716 3.960 0.075 0.000 0.254 422 G HA3 -0.289 3.716 3.960 0.075 0.000 0.254 422 G C 0.265 175.112 174.900 -0.088 0.000 0.988 422 G CA 0.520 45.473 45.100 -0.245 0.000 0.625 422 G HN 1.757 nan 8.290 nan 0.000 0.527 423 S N 0.208 115.875 115.700 -0.055 0.000 2.603 423 S HA 0.508 5.023 4.470 0.075 0.000 0.268 423 S C 0.949 175.608 174.600 0.099 0.000 1.317 423 S CA 0.371 58.589 58.200 0.030 0.000 1.012 423 S CB 1.523 64.748 63.200 0.041 0.000 0.926 423 S HN 0.064 nan 8.310 nan 0.000 0.539 424 D N 1.216 121.657 120.400 0.068 0.000 2.144 424 D HA -0.073 4.612 4.640 0.075 0.000 0.199 424 D C 1.729 178.079 176.300 0.083 0.000 0.984 424 D CA 1.431 55.473 54.000 0.069 0.000 0.834 424 D CB -0.294 40.529 40.800 0.039 0.000 0.955 424 D HN 0.743 nan 8.370 nan 0.000 0.465 425 E N -0.050 120.198 120.200 0.080 0.000 2.077 425 E HA -0.123 4.272 4.350 0.075 0.000 0.193 425 E C 1.798 178.459 176.600 0.101 0.000 0.989 425 E CA 0.441 56.879 56.400 0.063 0.000 0.800 425 E CB -0.350 29.376 29.700 0.043 0.000 0.746 425 E HN 0.298 nan 8.360 nan 0.000 0.452 426 F N 1.618 121.565 119.950 -0.005 0.000 2.102 426 F HA -0.210 4.362 4.527 0.075 0.000 0.298 426 F C 1.727 177.540 175.800 0.021 0.000 1.105 426 F CA 1.311 59.315 58.000 0.006 0.000 1.239 426 F CB -0.021 38.980 39.000 0.002 0.000 0.991 426 F HN -0.026 nan 8.300 nan 0.000 0.474 427 N N -0.186 118.669 118.700 0.259 0.000 2.166 427 N HA -0.140 4.645 4.740 0.075 0.000 0.186 427 N C 1.810 177.344 175.510 0.040 0.000 1.019 427 N CA 1.807 54.945 53.050 0.147 0.000 0.856 427 N CB -0.882 37.697 38.487 0.154 0.000 0.993 427 N HN 0.308 nan 8.380 nan 0.000 0.426 428 T N 0.930 115.504 114.554 0.034 0.000 2.708 428 T HA -0.042 4.353 4.350 0.075 0.000 0.266 428 T C 2.145 176.838 174.700 -0.011 0.000 1.037 428 T CA 0.883 62.990 62.100 0.012 0.000 1.146 428 T CB -0.195 68.678 68.868 0.007 0.000 0.865 428 T HN -0.026 nan 8.240 nan 0.000 0.435 429 V N 1.465 121.351 119.914 -0.047 0.000 2.379 429 V HA -0.089 4.075 4.120 0.075 0.000 0.245 429 V C 2.837 178.894 176.094 -0.061 0.000 1.044 429 V CA 1.554 63.826 62.300 -0.047 0.000 1.036 429 V CB -1.123 30.658 31.823 -0.070 0.000 0.664 429 V HN 0.504 nan 8.190 nan 0.000 0.453 430 A N 0.030 122.746 122.820 -0.172 0.000 1.902 430 A HA -0.251 4.114 4.320 0.075 0.000 0.217 430 A C 1.983 179.572 177.584 0.008 0.000 1.181 430 A CA 2.098 54.056 52.037 -0.132 0.000 0.623 430 A CB -0.626 18.230 19.000 -0.239 0.000 0.818 430 A HN 0.532 nan 8.150 nan 0.000 0.443 431 D N -0.130 120.282 120.400 0.019 0.000 2.117 431 D HA -0.117 4.568 4.640 0.075 0.000 0.198 431 D C 1.737 178.088 176.300 0.085 0.000 0.982 431 D CA 1.354 55.390 54.000 0.060 0.000 0.828 431 D CB -0.613 40.218 40.800 0.052 0.000 0.967 431 D HN 0.647 nan 8.370 nan 0.000 0.464 432 N N 0.093 118.831 118.700 0.064 0.000 2.244 432 N HA -0.054 4.731 4.740 0.075 0.000 0.183 432 N C 1.945 177.534 175.510 0.133 0.000 1.016 432 N CA 0.185 53.281 53.050 0.077 0.000 0.866 432 N CB 0.050 38.553 38.487 0.026 0.000 0.980 432 N HN 0.103 nan 8.380 nan 0.000 0.430 433 L N 0.600 121.904 121.223 0.136 0.000 2.042 433 L HA -0.167 4.218 4.340 0.075 0.000 0.210 433 L C 2.220 179.272 176.870 0.303 0.000 1.076 433 L CA 0.968 55.938 54.840 0.217 0.000 0.749 433 L CB -0.381 41.788 42.059 0.183 0.000 0.893 433 L HN 0.054 nan 8.230 nan 0.000 0.432 434 V N -0.981 119.102 119.914 0.282 0.000 2.358 434 V HA -0.256 3.909 4.120 0.075 0.000 0.246 434 V C 2.512 178.812 176.094 0.344 0.000 1.047 434 V CA 2.205 64.735 62.300 0.383 0.000 1.035 434 V CB -0.723 31.252 31.823 0.252 0.000 0.658 434 V HN 0.471 nan 8.190 nan 0.000 0.452 435 T N 0.326 115.024 114.554 0.241 0.000 2.720 435 T HA -0.214 4.181 4.350 0.075 0.000 0.268 435 T C 1.692 176.526 174.700 0.223 0.000 1.037 435 T CA 2.037 64.258 62.100 0.201 0.000 1.144 435 T CB -0.400 68.560 68.868 0.154 0.000 0.864 435 T HN 0.458 nan 8.240 nan 0.000 0.444 436 F N 2.047 122.054 119.950 0.093 0.000 2.134 436 F HA 0.073 4.646 4.527 0.077 0.000 0.299 436 F C 2.376 178.244 175.800 0.113 0.000 1.097 436 F CA 1.133 59.176 58.000 0.070 0.000 1.264 436 F CB -0.973 38.075 39.000 0.081 0.000 1.001 436 F HN 0.154 nan 8.300 nan 0.000 0.479 437 G N -0.125 108.660 108.800 -0.024 0.000 2.440 437 G HA2 -0.294 3.711 3.960 0.075 0.000 0.218 437 G HA3 -0.294 3.711 3.960 0.075 0.000 0.218 437 G C 1.367 176.174 174.900 -0.156 0.000 1.154 437 G CA 1.069 45.943 45.100 -0.378 0.000 0.767 437 G HN 0.331 nan 8.290 nan 0.000 0.552 438 D N 0.762 121.239 120.400 0.129 0.000 2.149 438 D HA -0.144 4.541 4.640 0.075 0.000 0.198 438 D C 2.947 179.270 176.300 0.038 0.000 0.990 438 D CA 1.523 55.634 54.000 0.185 0.000 0.839 438 D CB -0.342 40.574 40.800 0.193 0.000 0.948 438 D HN 0.464 nan 8.370 nan 0.000 0.460 439 S N -0.449 115.192 115.700 -0.098 0.000 2.419 439 S HA -0.154 4.361 4.470 0.075 0.000 0.233 439 S C 2.001 176.369 174.600 -0.387 0.000 1.016 439 S CA 0.554 58.602 58.200 -0.253 0.000 0.974 439 S CB -0.756 62.240 63.200 -0.339 0.000 0.786 439 S HN 0.178 nan 8.310 nan 0.000 0.492 440 F N 1.796 121.560 119.950 -0.309 0.000 2.206 440 F HA 0.232 4.804 4.527 0.074 0.000 0.298 440 F C 2.235 177.959 175.800 -0.126 0.000 1.090 440 F CA 0.725 58.562 58.000 -0.271 0.000 1.323 440 F CB -0.431 38.389 39.000 -0.299 0.000 1.028 440 F HN 0.149 nan 8.300 nan 0.000 0.492 441 L N -0.429 120.878 121.223 0.139 0.000 2.201 441 L HA -0.192 4.193 4.340 0.075 0.000 0.212 441 L C 2.443 179.395 176.870 0.137 0.000 1.105 441 L CA 0.978 55.932 54.840 0.189 0.000 0.775 441 L CB -0.662 41.547 42.059 0.250 0.000 0.913 441 L HN 0.158 nan 8.230 nan 0.000 0.440 442 Q N 0.425 120.244 119.800 0.031 0.000 2.124 442 Q HA -0.146 4.239 4.340 0.075 0.000 0.202 442 Q C 2.111 178.053 176.000 -0.097 0.000 0.977 442 Q CA 1.660 57.437 55.803 -0.043 0.000 0.850 442 Q CB -0.292 28.409 28.738 -0.061 0.000 0.901 442 Q HN 0.289 nan 8.270 nan 0.000 0.429 443 V N 0.453 120.272 119.914 -0.160 0.000 2.332 443 V HA -0.271 3.894 4.120 0.075 0.000 0.248 443 V C 2.224 178.374 176.094 0.093 0.000 1.055 443 V CA 1.854 64.078 62.300 -0.128 0.000 1.038 443 V CB -0.571 31.083 31.823 -0.281 0.000 0.651 443 V HN 0.405 nan 8.190 nan 0.000 0.450 444 I N -0.560 120.093 120.570 0.139 0.000 2.179 444 I HA -0.236 3.979 4.170 0.075 0.000 0.242 444 I C 2.423 178.612 176.117 0.120 0.000 1.088 444 I CA 1.343 62.819 61.300 0.293 0.000 1.357 444 I CB -0.414 37.807 38.000 0.367 0.000 1.051 444 I HN 0.324 nan 8.210 nan 0.000 0.409 445 L N 1.064 122.200 121.223 -0.145 0.000 2.079 445 L HA -0.244 4.141 4.340 0.075 0.000 0.210 445 L C 1.858 178.504 176.870 -0.372 0.000 1.081 445 L CA 2.004 56.475 54.840 -0.614 0.000 0.752 445 L CB -0.895 40.715 42.059 -0.748 0.000 0.896 445 L HN 0.180 nan 8.230 nan 0.000 0.433 446 D N -1.259 118.961 120.400 -0.299 0.000 2.218 446 D HA -0.148 4.537 4.640 0.075 0.000 0.204 446 D C 1.475 177.419 176.300 -0.594 0.000 0.976 446 D CA 1.364 55.077 54.000 -0.478 0.000 0.853 446 D CB -0.045 40.370 40.800 -0.642 0.000 0.939 446 D HN 0.567 nan 8.370 nan 0.000 0.481 447 H N -1.258 117.846 119.070 0.056 0.000 3.233 447 H HA 0.256 4.856 4.556 0.073 0.000 0.263 447 H C 0.759 176.227 175.328 0.234 0.000 1.168 447 H CA -0.498 55.628 56.048 0.130 0.000 1.159 447 H CB 1.147 30.971 29.762 0.104 0.000 1.593 447 H HN 0.136 nan 8.280 nan 0.000 0.580 448 I N 2.310 122.998 120.570 0.197 0.000 2.754 448 I HA -0.069 4.146 4.170 0.075 0.000 0.285 448 I C 0.076 176.196 176.117 0.004 0.000 1.166 448 I CA 0.006 61.319 61.300 0.023 0.000 1.417 448 I CB 0.673 38.686 38.000 0.022 0.000 1.382 448 I HN 0.122 nan 8.210 nan 0.000 0.588 449 N N 5.030 123.680 118.700 -0.082 0.000 2.416 449 N HA -0.071 4.714 4.740 0.075 0.000 0.246 449 N C 0.270 175.775 175.510 -0.009 0.000 1.260 449 N CA -0.294 52.734 53.050 -0.036 0.000 0.897 449 N CB 0.350 38.777 38.487 -0.100 0.000 1.110 449 N HN 0.567 nan 8.380 nan 0.000 0.439 450 D N 0.708 121.114 120.400 0.009 0.000 2.221 450 D HA -0.169 4.516 4.640 0.075 0.000 0.204 450 D C 1.025 177.318 176.300 -0.012 0.000 0.982 450 D CA 1.208 55.196 54.000 -0.019 0.000 0.857 450 D CB -0.250 40.545 40.800 -0.009 0.000 0.934 450 D HN 0.648 nan 8.370 nan 0.000 0.475 451 D N -1.091 119.353 120.400 0.074 0.000 2.349 451 D HA 0.080 4.765 4.640 0.075 0.000 0.224 451 D C 1.514 177.982 176.300 0.279 0.000 1.029 451 D CA 0.833 54.944 54.000 0.185 0.000 0.879 451 D CB -0.248 40.750 40.800 0.330 0.000 0.906 451 D HN 0.199 nan 8.370 nan 0.000 0.528 452 G N 0.073 108.976 108.800 0.171 0.000 2.159 452 G HA2 -0.277 3.728 3.960 0.075 0.000 0.256 452 G HA3 -0.277 3.728 3.960 0.075 0.000 0.256 452 G C 0.334 175.341 174.900 0.178 0.000 0.977 452 G CA 0.476 45.744 45.100 0.281 0.000 0.652 452 G HN 0.871 nan 8.290 nan 0.000 0.531 453 S N -0.425 115.163 115.700 -0.185 0.000 2.586 453 S HA 0.788 5.303 4.470 0.075 0.000 0.274 453 S C -0.080 174.137 174.600 -0.639 0.000 1.281 453 S CA -0.761 57.039 58.200 -0.666 0.000 1.035 453 S CB 2.047 64.629 63.200 -1.030 0.000 0.962 453 S HN 0.671 nan 8.310 nan 0.000 0.512 454 L N 2.745 123.569 121.223 -0.666 0.000 2.305 454 L HA 0.470 4.855 4.340 0.075 0.000 0.284 454 L C -0.041 176.395 176.870 -0.723 0.000 1.013 454 L CA -0.818 53.535 54.840 -0.812 0.000 0.819 454 L CB 1.299 42.988 42.059 -0.616 0.000 1.227 454 L HN 0.674 nan 8.230 nan 0.000 0.417 455 N N 1.027 119.313 118.700 -0.689 0.000 2.294 455 N HA 0.015 4.800 4.740 0.075 0.000 0.248 455 N C 0.939 176.303 175.510 -0.244 0.000 1.300 455 N CA -0.357 52.426 53.050 -0.446 0.000 0.925 455 N CB 0.567 38.875 38.487 -0.299 0.000 1.188 455 N HN 0.597 nan 8.380 nan 0.000 0.512 456 E N -0.416 119.576 120.200 -0.347 0.000 2.047 456 E HA -0.142 4.253 4.350 0.075 0.000 0.191 456 E C -0.321 175.884 176.600 -0.659 0.000 0.987 456 E CA 1.177 57.258 56.400 -0.533 0.000 0.799 456 E CB 0.272 29.518 29.700 -0.757 0.000 0.752 456 E HN 0.479 nan 8.360 nan 0.000 0.449 457 Q N -0.136 119.338 119.800 -0.544 0.000 2.458 457 Q HA 0.552 4.936 4.340 0.075 0.000 0.282 457 Q C -0.938 174.835 176.000 -0.379 0.000 1.106 457 Q CA -0.838 54.599 55.803 -0.610 0.000 0.814 457 Q CB 2.400 30.722 28.738 -0.694 0.000 1.425 457 Q HN 0.181 nan 8.270 nan 0.000 0.437 458 L N -1.383 119.521 121.223 -0.531 0.000 2.408 458 L HA 0.619 5.003 4.340 0.075 0.000 0.268 458 L C -0.498 176.125 176.870 -0.412 0.000 0.986 458 L CA -1.083 53.487 54.840 -0.449 0.000 0.820 458 L CB 1.801 43.447 42.059 -0.688 0.000 1.303 458 L HN 0.531 nan 8.230 nan 0.000 0.411 459 N N 2.453 120.989 118.700 -0.273 0.000 2.458 459 N HA -0.010 4.775 4.740 0.075 0.000 0.258 459 N C 0.954 176.265 175.510 -0.331 0.000 1.219 459 N CA 0.080 52.995 53.050 -0.226 0.000 0.902 459 N CB 1.227 39.678 38.487 -0.060 0.000 1.076 459 N HN 0.964 nan 8.380 nan 0.000 0.455 460 R N 3.262 123.515 120.500 -0.410 0.000 2.189 460 R HA -0.124 4.261 4.340 0.075 0.000 0.223 460 R C 0.787 176.786 176.300 -0.503 0.000 1.092 460 R CA 1.410 57.161 56.100 -0.581 0.000 0.989 460 R CB -0.315 29.583 30.300 -0.671 0.000 0.876 460 R HN 0.600 nan 8.270 nan 0.000 0.457 461 Y N 1.032 121.245 120.300 -0.144 0.000 2.266 461 Y HA 0.043 4.638 4.550 0.074 0.000 0.294 461 Y C 2.723 178.533 175.900 -0.150 0.000 1.127 461 Y CA 1.355 59.391 58.100 -0.107 0.000 1.140 461 Y CB -0.026 38.393 38.460 -0.069 0.000 1.071 461 Y HN 0.233 nan 8.280 nan 0.000 0.525 462 T N -4.567 109.968 114.554 -0.032 0.000 3.015 462 T HA 0.357 4.752 4.350 0.075 0.000 0.250 462 T C 1.842 176.319 174.700 -0.373 0.000 1.057 462 T CA 0.527 62.511 62.100 -0.194 0.000 1.066 462 T CB 0.082 68.847 68.868 -0.172 0.000 0.959 462 T HN 0.481 nan 8.240 nan 0.000 0.488 463 G N 0.682 109.252 108.800 -0.383 0.000 2.184 463 G HA2 -0.275 3.730 3.960 0.075 0.000 0.264 463 G HA3 -0.275 3.730 3.960 0.075 0.000 0.264 463 G C 0.007 174.747 174.900 -0.266 0.000 0.975 463 G CA 0.157 44.905 45.100 -0.587 0.000 0.642 463 G HN 0.687 nan 8.290 nan 0.000 0.536 464 Y N 2.225 122.491 120.300 -0.057 0.000 2.425 464 Y HA 0.353 4.947 4.550 0.073 0.000 0.331 464 Y C 1.659 177.544 175.900 -0.025 0.000 1.157 464 Y CA -0.044 58.058 58.100 0.003 0.000 1.372 464 Y CB 0.748 39.208 38.460 0.001 0.000 1.253 464 Y HN 0.389 nan 8.280 nan 0.000 0.536 465 S N 1.890 117.727 115.700 0.229 0.000 2.563 465 S HA 0.282 4.796 4.470 0.075 0.000 0.284 465 S C -0.100 174.518 174.600 0.030 0.000 1.331 465 S CA -0.364 57.923 58.200 0.145 0.000 1.047 465 S CB 1.387 64.659 63.200 0.119 0.000 0.859 465 S HN 0.743 nan 8.310 nan 0.000 0.514 466 T N 0.766 115.282 114.554 -0.064 0.000 2.769 466 T HA 0.648 5.043 4.350 0.075 0.000 0.306 466 T C 0.217 174.779 174.700 -0.229 0.000 1.400 466 T CA 0.734 62.761 62.100 -0.121 0.000 1.007 466 T CB 0.689 69.484 68.868 -0.120 0.000 1.392 466 T HN 2.290 nan 8.240 nan 0.000 0.500 467 G N 1.127 109.783 108.800 -0.239 0.000 2.642 467 G HA2 0.315 4.320 3.960 0.075 0.000 0.231 467 G HA3 0.315 4.320 3.960 0.075 0.000 0.231 467 G C 0.305 175.009 174.900 -0.325 0.000 1.338 467 G CA -0.118 44.781 45.100 -0.335 0.000 0.883 467 G HN 1.767 nan 8.290 nan 0.000 0.570 468 A N -0.643 121.875 122.820 -0.503 0.000 2.565 468 A HA 0.463 4.828 4.320 0.075 0.000 0.237 468 A C 0.050 177.438 177.584 -0.327 0.000 1.053 468 A CA 0.828 52.576 52.037 -0.481 0.000 0.755 468 A CB 0.064 18.548 19.000 -0.860 0.000 0.980 468 A HN 1.739 nan 8.150 nan 0.000 0.506 469 Y N 2.368 122.424 120.300 -0.407 0.000 2.299 469 Y HA 0.298 4.876 4.550 0.046 0.000 0.326 469 Y C 1.317 176.927 175.900 -0.484 0.000 1.164 469 Y CA 0.954 58.692 58.100 -0.603 0.000 1.234 469 Y CB 1.077 38.839 38.460 -1.163 0.000 1.219 469 Y HN 0.973 nan 8.280 nan 0.000 0.497 470 S N 4.039 119.206 115.700 -0.888 0.000 3.477 470 S HA -0.245 4.270 4.470 0.075 0.000 0.371 470 S C -0.424 174.054 174.600 -0.203 0.000 0.965 470 S CA 0.062 57.936 58.200 -0.543 0.000 1.239 470 S CB -1.356 61.639 63.200 -0.343 0.000 0.918 470 S HN 0.613 nan 8.310 nan 0.000 0.498 471 L N 2.782 123.887 121.223 -0.197 0.000 2.534 471 L HA 0.205 4.590 4.340 0.075 0.000 0.271 471 L C 1.599 178.507 176.870 0.062 0.000 1.178 471 L CA 1.123 55.948 54.840 -0.025 0.000 0.907 471 L CB 0.421 42.458 42.059 -0.038 0.000 1.164 471 L HN 0.474 nan 8.230 nan 0.000 0.482 472 T N 4.008 118.642 114.554 0.133 0.000 2.720 472 T HA -0.232 4.163 4.350 0.075 0.000 0.268 472 T C 1.180 176.016 174.700 0.226 0.000 1.037 472 T CA 1.778 63.966 62.100 0.146 0.000 1.144 472 T CB -0.433 68.511 68.868 0.127 0.000 0.864 472 T HN 0.787 nan 8.240 nan 0.000 0.444 473 W N 2.185 123.525 121.300 0.067 0.000 2.388 473 W HA -0.010 4.682 4.660 0.052 0.000 0.294 473 W C 2.417 178.993 176.519 0.096 0.000 1.212 473 W CA 0.417 57.829 57.345 0.112 0.000 1.271 473 W CB -1.013 28.553 29.460 0.176 0.000 1.126 473 W HN 0.204 nan 8.180 nan 0.000 0.535 474 S N 0.210 116.027 115.700 0.195 0.000 2.356 474 S HA -0.199 4.316 4.470 0.075 0.000 0.223 474 S C 2.060 176.679 174.600 0.032 0.000 1.032 474 S CA 1.926 60.151 58.200 0.041 0.000 1.005 474 S CB -0.684 62.485 63.200 -0.051 0.000 0.867 474 S HN 0.205 nan 8.310 nan 0.000 0.449 475 S N 1.225 116.954 115.700 0.048 0.000 2.359 475 S HA -0.081 4.433 4.470 0.075 0.000 0.224 475 S C 2.217 176.854 174.600 0.063 0.000 1.035 475 S CA 1.205 59.438 58.200 0.055 0.000 1.018 475 S CB -1.004 62.253 63.200 0.095 0.000 0.876 475 S HN 0.658 nan 8.310 nan 0.000 0.448 476 G N 1.411 110.275 108.800 0.106 0.000 2.421 476 G HA2 -0.070 3.935 3.960 0.075 0.000 0.216 476 G HA3 -0.070 3.935 3.960 0.075 0.000 0.216 476 G C 1.588 176.529 174.900 0.067 0.000 1.171 476 G CA 0.932 46.094 45.100 0.104 0.000 0.775 476 G HN 0.587 nan 8.290 nan 0.000 0.543 477 A N 0.372 123.208 122.820 0.027 0.000 1.908 477 A HA 0.020 4.385 4.320 0.075 0.000 0.218 477 A C 2.363 179.831 177.584 -0.194 0.000 1.181 477 A CA 1.771 53.623 52.037 -0.308 0.000 0.627 477 A CB -0.455 18.157 19.000 -0.647 0.000 0.818 477 A HN 0.452 nan 8.150 nan 0.000 0.445 478 L N -0.338 120.840 121.223 -0.075 0.000 2.056 478 L HA -0.060 4.325 4.340 0.075 0.000 0.207 478 L C 2.267 179.132 176.870 -0.010 0.000 1.078 478 L CA 1.559 56.387 54.840 -0.020 0.000 0.749 478 L CB -0.535 41.527 42.059 0.006 0.000 0.901 478 L HN 0.398 nan 8.230 nan 0.000 0.433 479 L N -0.649 120.571 121.223 -0.006 0.000 2.042 479 L HA -0.186 4.199 4.340 0.075 0.000 0.210 479 L C 2.556 179.430 176.870 0.007 0.000 1.076 479 L CA 1.086 55.925 54.840 -0.002 0.000 0.749 479 L CB -0.615 41.447 42.059 0.005 0.000 0.893 479 L HN 0.280 nan 8.230 nan 0.000 0.432 480 E N -0.077 120.135 120.200 0.020 0.000 2.152 480 E HA -0.109 4.286 4.350 0.075 0.000 0.192 480 E C 2.255 178.895 176.600 0.066 0.000 0.983 480 E CA 1.129 57.559 56.400 0.049 0.000 0.818 480 E CB -0.215 29.545 29.700 0.099 0.000 0.758 480 E HN 0.446 nan 8.360 nan 0.000 0.467 481 A N 1.148 124.008 122.820 0.066 0.000 1.898 481 A HA -0.125 4.240 4.320 0.075 0.000 0.216 481 A C 2.329 179.995 177.584 0.138 0.000 1.181 481 A CA 1.040 53.172 52.037 0.159 0.000 0.620 481 A CB -0.609 18.477 19.000 0.143 0.000 0.819 481 A HN 0.178 nan 8.150 nan 0.000 0.442 482 I N -1.114 119.488 120.570 0.054 0.000 2.226 482 I HA -0.240 3.975 4.170 0.075 0.000 0.245 482 I C 2.721 178.812 176.117 -0.044 0.000 1.100 482 I CA 1.592 62.888 61.300 -0.007 0.000 1.374 482 I CB -0.316 37.661 38.000 -0.039 0.000 1.057 482 I HN 0.357 nan 8.210 nan 0.000 0.413 483 R N 1.086 121.569 120.500 -0.028 0.000 2.081 483 R HA -0.179 4.206 4.340 0.075 0.000 0.235 483 R C 2.411 178.661 176.300 -0.082 0.000 1.131 483 R CA 1.443 57.516 56.100 -0.045 0.000 0.960 483 R CB -0.211 30.075 30.300 -0.023 0.000 0.856 483 R HN 0.351 nan 8.270 nan 0.000 0.436 484 L N 0.517 121.697 121.223 -0.071 0.000 2.056 484 L HA -0.177 4.208 4.340 0.075 0.000 0.207 484 L C 2.796 179.522 176.870 -0.240 0.000 1.078 484 L CA 1.392 56.158 54.840 -0.123 0.000 0.749 484 L CB -0.364 41.708 42.059 0.022 0.000 0.901 484 L HN 0.287 nan 8.230 nan 0.000 0.433 485 R N -0.018 120.252 120.500 -0.384 0.000 2.083 485 R HA -0.208 4.177 4.340 0.075 0.000 0.237 485 R C 1.958 178.081 176.300 -0.294 0.000 1.137 485 R CA 1.992 57.696 56.100 -0.661 0.000 0.951 485 R CB -0.161 29.780 30.300 -0.597 0.000 0.851 485 R HN 0.437 nan 8.270 nan 0.000 0.434 486 N N 0.778 119.375 118.700 -0.171 0.000 2.166 486 N HA -0.143 4.642 4.740 0.075 0.000 0.186 486 N C 1.507 176.986 175.510 -0.053 0.000 1.019 486 N CA 1.334 54.330 53.050 -0.090 0.000 0.856 486 N CB -0.104 38.345 38.487 -0.064 0.000 0.993 486 N HN 0.317 nan 8.380 nan 0.000 0.426 487 K N 0.329 120.690 120.400 -0.065 0.000 2.057 487 K HA -0.017 4.348 4.320 0.075 0.000 0.206 487 K C 1.938 178.612 176.600 0.124 0.000 1.050 487 K CA 0.583 56.869 56.287 -0.002 0.000 0.935 487 K CB -0.264 32.161 32.500 -0.125 0.000 0.715 487 K HN -0.033 nan 8.250 nan 0.000 0.439 488 V N 1.735 121.707 119.914 0.097 0.000 2.453 488 V HA -0.199 3.966 4.120 0.075 0.000 0.247 488 V C 1.666 177.817 176.094 0.096 0.000 1.048 488 V CA 1.712 64.135 62.300 0.205 0.000 1.049 488 V CB -0.137 31.793 31.823 0.179 0.000 0.672 488 V HN 0.230 nan 8.190 nan 0.000 0.457 489 K N 0.074 120.485 120.400 0.018 0.000 2.217 489 K HA 0.066 4.431 4.320 0.075 0.000 0.202 489 K C 2.055 178.676 176.600 0.035 0.000 1.051 489 K CA 1.120 57.417 56.287 0.016 0.000 0.952 489 K CB -0.254 32.235 32.500 -0.018 0.000 0.736 489 K HN 0.540 nan 8.250 nan 0.000 0.453 490 A N 1.154 123.999 122.820 0.043 0.000 2.119 490 A HA 0.037 4.401 4.320 0.075 0.000 0.216 490 A C 0.842 178.462 177.584 0.060 0.000 1.152 490 A CA 0.249 52.313 52.037 0.046 0.000 0.708 490 A CB -0.282 18.745 19.000 0.045 0.000 0.805 490 A HN 0.121 nan 8.150 nan 0.000 0.460 491 L N 0.740 122.011 121.223 0.080 0.000 2.499 491 L HA 0.259 4.644 4.340 0.075 0.000 0.273 491 L C 1.187 178.090 176.870 0.056 0.000 1.195 491 L CA -0.447 54.436 54.840 0.071 0.000 0.882 491 L CB 0.349 42.452 42.059 0.074 0.000 1.133 491 L HN 0.373 nan 8.230 nan 0.000 0.483 492 A N 0.000 122.847 122.820 0.045 0.000 2.254 492 A HA 0.000 4.365 4.320 0.075 0.000 0.244 492 A CA 0.000 52.060 52.037 0.039 0.000 0.836 492 A CB 0.000 19.017 19.000 0.029 0.000 0.831 492 A HN 0.000 nan 8.150 nan 0.000 0.486