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 3enh_1_B DATA FIRST_RESID 1 DATA SEQUENCE MICLGLEGTA EKTGVGIVTS DGEVLFNKTI MXXXXXXXXX XXEAADHHAE DATA SEQUENCE TFPKLIKEAF EVVDKNEIDL IAFSQGPGLG PSLRVTATVA RTLSLTLKKP DATA SEQUENCE IIGVNHCIAH IEIGKLTTEA EDPLTLYVSG GNTQVIAYVS KKYRVFGETL DATA SEQUENCE DIAVGNCLDQ FXXXXXXXXX XGPYIEELAR KGKKLVDLPY TVKGMDIAFS DATA SEQUENCE GLLTAAMRAY DAGERLEDIC YSLQEYAFSM LTEITERALA HTNKGEVMLV DATA SEQUENCE GGVAANNRLR EMLKAMCEGQ NVDFYVPPKE FCGDNGAMIA WLGLLMHKNG DATA SEQUENCE RWMSLDETKI IPNYRTDMVE VNWIXXXXXX XXXXXXXXXX XEADIKRDSY DATA SEQUENCE LDFDVIIKER VKKGYRDERL DENIRKSRTA REARYLALVK DFGIPAPYIF DATA SEQUENCE DVDLDNKRIM MSYINGKLAK DVIEDNLDIA YKIGEIVGKL HKNDVIHNDL DATA SEQUENCE TTSNFIFDKD LYIIDFGLGK IXXXXEDKAV DLIVFKKAVL STHHEKFDEI DATA SEQUENCE WERFLEGYKS VYDRWEIILE LMKDVER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 I N -0.016 120.552 120.570 -0.003 0.000 2.823 2 I HA 0.674 4.847 4.170 0.005 0.000 0.290 2 I C -0.338 175.774 176.117 -0.008 0.000 1.091 2 I CA -0.191 61.115 61.300 0.010 0.000 1.365 2 I CB 1.186 39.208 38.000 0.035 0.000 1.427 2 I HN 0.687 nan 8.210 nan 0.000 0.583 3 C N 6.627 125.927 119.300 0.001 0.000 2.698 3 C HA 0.737 5.201 4.460 0.005 0.000 0.309 3 C C -0.673 174.324 174.990 0.010 0.000 1.186 3 C CA -0.927 58.078 59.018 -0.022 0.000 1.474 3 C CB 0.839 28.535 27.740 -0.073 0.000 2.020 3 C HN 1.100 nan 8.230 nan 0.000 0.474 4 L N 5.193 126.419 121.223 0.004 0.000 2.322 4 L HA 0.890 5.233 4.340 0.005 0.000 0.279 4 L C 0.234 177.111 176.870 0.011 0.000 1.036 4 L CA 0.305 55.154 54.840 0.015 0.000 0.807 4 L CB 1.419 43.478 42.059 -0.000 0.000 1.226 4 L HN 0.981 nan 8.230 nan 0.000 0.433 5 G N 5.003 113.824 108.800 0.036 0.000 2.482 5 G HA2 0.632 4.595 3.960 0.005 0.000 0.317 5 G HA3 0.632 4.595 3.960 0.005 0.000 0.317 5 G C -1.587 173.364 174.900 0.085 0.000 1.241 5 G CA -0.716 44.412 45.100 0.047 0.000 0.967 5 G HN 0.586 nan 8.290 nan 0.000 0.482 6 L N 0.972 122.256 121.223 0.101 0.000 2.333 6 L HA 0.517 4.860 4.340 0.005 0.000 0.280 6 L C -0.541 176.474 176.870 0.243 0.000 1.004 6 L CA -0.915 54.023 54.840 0.164 0.000 0.820 6 L CB 2.158 44.173 42.059 -0.075 0.000 1.247 6 L HN 0.517 nan 8.230 nan 0.000 0.416 7 E N 2.137 122.548 120.200 0.351 0.000 2.145 7 E HA 0.628 4.981 4.350 0.005 0.000 0.270 7 E C -0.041 176.739 176.600 0.300 0.000 0.906 7 E CA -0.476 56.088 56.400 0.274 0.000 0.761 7 E CB 1.774 31.590 29.700 0.195 0.000 1.116 7 E HN 0.623 nan 8.360 nan 0.000 0.408 8 G N 2.870 111.760 108.800 0.149 0.000 5.338 8 G HA2 0.014 3.977 3.960 0.005 0.000 0.198 8 G HA3 0.014 3.977 3.960 0.005 0.000 0.198 8 G C 0.577 175.318 174.900 -0.265 0.000 0.708 8 G CA 0.070 45.041 45.100 -0.216 0.000 0.626 8 G HN 0.563 nan 8.290 nan 0.000 0.419 9 T N -2.941 111.543 114.554 -0.115 0.000 2.896 9 T HA 0.459 4.812 4.350 0.005 0.000 0.263 9 T C 1.755 176.419 174.700 -0.060 0.000 1.050 9 T CA 1.736 63.752 62.100 -0.140 0.000 1.140 9 T CB 0.443 69.097 68.868 -0.357 0.000 0.877 9 T HN 0.640 nan 8.240 nan 0.000 0.457 10 A N 2.273 125.104 122.820 0.019 0.000 2.290 10 A HA 0.550 4.874 4.320 0.005 0.000 0.204 10 A C 1.700 179.386 177.584 0.171 0.000 2.001 10 A CA 0.469 52.549 52.037 0.071 0.000 1.643 10 A CB -0.120 18.884 19.000 0.007 0.000 1.293 10 A HN 0.435 nan 8.150 nan 0.000 0.474 11 E N -0.092 120.143 120.200 0.059 0.000 2.399 11 E HA 0.252 4.606 4.350 0.005 0.000 0.205 11 E C 0.062 176.569 176.600 -0.154 0.000 0.906 11 E CA -0.075 56.266 56.400 -0.099 0.000 0.998 11 E CB 0.049 29.675 29.700 -0.122 0.000 1.002 11 E HN 0.319 nan 8.360 nan 0.000 0.501 12 K N 1.512 121.921 120.400 0.015 0.000 2.234 12 K HA 0.305 4.628 4.320 0.005 0.000 0.282 12 K C -0.848 175.849 176.600 0.162 0.000 1.039 12 K CA -0.264 56.046 56.287 0.038 0.000 0.928 12 K CB 1.565 34.096 32.500 0.051 0.000 1.039 12 K HN -0.068 nan 8.250 nan 0.000 0.470 13 T N 1.717 116.320 114.554 0.082 0.000 2.781 13 T HA 0.286 4.639 4.350 0.005 0.000 0.305 13 T C 0.086 174.729 174.700 -0.095 0.000 1.001 13 T CA -0.791 61.280 62.100 -0.048 0.000 0.950 13 T CB 1.102 69.818 68.868 -0.254 0.000 0.955 13 T HN 0.690 nan 8.240 nan 0.000 0.471 14 G N 2.288 111.089 108.800 0.002 0.000 2.502 14 G HA2 0.572 4.535 3.960 0.005 0.000 0.311 14 G HA3 0.572 4.535 3.960 0.005 0.000 0.311 14 G C -0.682 174.341 174.900 0.206 0.000 1.270 14 G CA -0.461 44.686 45.100 0.079 0.000 0.948 14 G HN 0.635 nan 8.290 nan 0.000 0.487 15 V N 1.399 121.430 119.914 0.195 0.000 2.483 15 V HA 0.943 5.066 4.120 0.005 0.000 0.295 15 V C 0.632 176.853 176.094 0.212 0.000 1.035 15 V CA -0.182 62.271 62.300 0.254 0.000 0.896 15 V CB 1.495 33.491 31.823 0.288 0.000 0.986 15 V HN 1.076 nan 8.190 nan 0.000 0.447 16 G N 3.573 112.482 108.800 0.181 0.000 2.752 16 G HA2 0.620 4.583 3.960 0.005 0.000 0.298 16 G HA3 0.620 4.583 3.960 0.005 0.000 0.298 16 G C -1.840 173.136 174.900 0.127 0.000 1.434 16 G CA -0.457 44.734 45.100 0.151 0.000 1.004 16 G HN 0.792 nan 8.290 nan 0.000 0.560 17 I N 2.347 123.003 120.570 0.143 0.000 2.447 17 I HA 0.724 4.897 4.170 0.005 0.000 0.287 17 I C -0.530 175.654 176.117 0.112 0.000 1.023 17 I CA -1.057 60.306 61.300 0.105 0.000 1.083 17 I CB 1.702 39.748 38.000 0.077 0.000 1.245 17 I HN 0.534 nan 8.210 nan 0.000 0.434 18 V N 2.728 122.709 119.914 0.112 0.000 2.960 18 V HA 0.718 4.841 4.120 0.005 0.000 0.315 18 V C 0.228 176.402 176.094 0.134 0.000 1.087 18 V CA -0.352 62.028 62.300 0.134 0.000 0.982 18 V CB 1.395 33.332 31.823 0.190 0.000 1.039 18 V HN 0.789 nan 8.190 nan 0.000 0.437 19 T N 0.018 114.654 114.554 0.137 0.000 2.882 19 T HA 0.295 4.648 4.350 0.005 0.000 0.287 19 T C 1.234 176.052 174.700 0.197 0.000 1.014 19 T CA 0.170 62.346 62.100 0.126 0.000 1.049 19 T CB 0.996 69.921 68.868 0.094 0.000 1.001 19 T HN 1.194 nan 8.240 nan 0.000 0.525 20 S N 0.299 116.071 115.700 0.120 0.000 2.474 20 S HA -0.090 4.383 4.470 0.005 0.000 0.235 20 S C 0.993 175.709 174.600 0.193 0.000 0.997 20 S CA 0.769 59.027 58.200 0.096 0.000 0.949 20 S CB -0.451 62.760 63.200 0.019 0.000 0.766 20 S HN 0.767 nan 8.310 nan 0.000 0.517 21 D N 1.533 122.043 120.400 0.183 0.000 2.149 21 D HA 0.285 4.928 4.640 0.005 0.000 0.206 21 D C 1.403 177.811 176.300 0.180 0.000 0.967 21 D CA 1.474 55.569 54.000 0.159 0.000 0.848 21 D CB -0.171 40.675 40.800 0.077 0.000 0.998 21 D HN 0.557 nan 8.370 nan 0.000 0.474 22 G N 0.493 109.367 108.800 0.124 0.000 2.321 22 G HA2 -0.095 3.868 3.960 0.005 0.000 0.219 22 G HA3 -0.095 3.868 3.960 0.005 0.000 0.219 22 G C -0.596 174.190 174.900 -0.190 0.000 1.057 22 G CA -0.247 44.746 45.100 -0.178 0.000 0.849 22 G HN 0.329 nan 8.290 nan 0.000 0.520 23 E N -0.155 120.014 120.200 -0.052 0.000 2.187 23 E HA 0.643 4.996 4.350 0.005 0.000 0.268 23 E C -0.420 176.190 176.600 0.016 0.000 0.896 23 E CA -1.182 55.197 56.400 -0.035 0.000 0.766 23 E CB 2.829 32.525 29.700 -0.007 0.000 1.142 23 E HN 0.430 nan 8.360 nan 0.000 0.408 24 V N 5.806 125.739 119.914 0.031 0.000 2.508 24 V HA -0.006 4.117 4.120 0.005 0.000 0.281 24 V C 0.473 176.611 176.094 0.073 0.000 1.041 24 V CA -0.228 62.120 62.300 0.080 0.000 1.016 24 V CB 0.510 32.423 31.823 0.151 0.000 0.984 24 V HN 0.813 nan 8.190 nan 0.000 0.478 25 L N 6.624 127.903 121.223 0.094 0.000 2.185 25 L HA 0.350 4.693 4.340 0.005 0.000 0.198 25 L C 0.493 177.467 176.870 0.174 0.000 1.079 25 L CA 1.392 56.299 54.840 0.113 0.000 0.780 25 L CB -0.716 41.410 42.059 0.111 0.000 0.955 25 L HN 0.649 nan 8.230 nan 0.000 0.462 26 F N 0.238 120.186 119.950 -0.003 0.000 2.520 26 F HA 0.431 4.960 4.527 0.003 0.000 0.322 26 F C -0.075 175.712 175.800 -0.022 0.000 1.103 26 F CA -0.948 57.038 58.000 -0.023 0.000 0.926 26 F CB 1.411 40.382 39.000 -0.049 0.000 1.154 26 F HN 0.005 nan 8.300 nan 0.000 0.453 27 N N 5.289 123.575 118.700 -0.690 0.000 2.827 27 N HA 0.215 4.958 4.740 0.005 0.000 0.240 27 N C -1.798 173.327 175.510 -0.643 0.000 1.352 27 N CA -0.363 52.394 53.050 -0.488 0.000 0.760 27 N CB 0.603 38.912 38.487 -0.297 0.000 1.426 27 N HN 0.564 nan 8.380 nan 0.000 0.561 28 K N 1.145 121.157 120.400 -0.646 0.000 2.375 28 K HA 0.546 4.869 4.320 0.005 0.000 0.249 28 K C -1.326 175.188 176.600 -0.143 0.000 0.942 28 K CA -0.613 55.441 56.287 -0.388 0.000 0.806 28 K CB 2.420 34.685 32.500 -0.391 0.000 1.227 28 K HN 0.153 nan 8.250 nan 0.000 0.430 29 T N 2.295 116.785 114.554 -0.106 0.000 3.109 29 T HA 0.425 4.778 4.350 0.005 0.000 0.311 29 T C -0.461 174.218 174.700 -0.035 0.000 1.011 29 T CA -0.613 61.455 62.100 -0.054 0.000 1.026 29 T CB 0.648 69.483 68.868 -0.055 0.000 1.047 29 T HN 0.348 nan 8.240 nan 0.000 0.448 30 I N 3.329 123.892 120.570 -0.013 0.000 2.392 30 I HA 0.504 4.678 4.170 0.005 0.000 0.295 30 I C 0.187 176.368 176.117 0.107 0.000 0.985 30 I CA -0.806 60.508 61.300 0.023 0.000 1.221 30 I CB 1.674 39.667 38.000 -0.012 0.000 1.366 30 I HN 0.427 nan 8.210 nan 0.000 0.467 44 A N 3.452 126.280 122.820 0.013 0.000 3.266 44 A HA 0.666 4.989 4.320 0.005 0.000 0.310 44 A C 0.512 178.125 177.584 0.049 0.000 1.066 44 A CA 0.339 52.385 52.037 0.015 0.000 0.839 44 A CB 0.370 19.354 19.000 -0.027 0.000 1.192 44 A HN 0.538 nan 8.150 nan 0.000 0.496 45 A N 0.240 123.118 122.820 0.097 0.000 2.067 45 A HA 0.057 4.380 4.320 0.005 0.000 0.217 45 A C 1.408 179.085 177.584 0.155 0.000 1.156 45 A CA 1.574 53.716 52.037 0.175 0.000 0.683 45 A CB -0.227 18.863 19.000 0.150 0.000 0.808 45 A HN 0.529 nan 8.150 nan 0.000 0.455 46 D N -0.768 119.689 120.400 0.095 0.000 2.149 46 D HA -0.191 4.452 4.640 0.005 0.000 0.198 46 D C 1.732 178.063 176.300 0.052 0.000 0.990 46 D CA 1.382 55.425 54.000 0.070 0.000 0.839 46 D CB -0.502 40.325 40.800 0.045 0.000 0.948 46 D HN 0.638 nan 8.370 nan 0.000 0.460 47 H N 0.473 119.500 119.070 -0.072 0.000 2.319 47 H HA -0.147 4.412 4.556 0.005 0.000 0.299 47 H C 1.821 177.031 175.328 -0.196 0.000 1.092 47 H CA 1.531 57.480 56.048 -0.164 0.000 1.302 47 H CB 0.062 29.665 29.762 -0.265 0.000 1.373 47 H HN 0.313 nan 8.280 nan 0.000 0.497 48 H N -0.083 119.050 119.070 0.106 0.000 2.389 48 H HA 0.016 4.575 4.556 0.005 0.000 0.299 48 H C 2.191 177.593 175.328 0.124 0.000 1.081 48 H CA 1.121 57.181 56.048 0.019 0.000 1.345 48 H CB -0.386 29.465 29.762 0.150 0.000 1.393 48 H HN 0.461 nan 8.280 nan 0.000 0.520 49 A N 0.608 123.567 122.820 0.232 0.000 2.239 49 A HA -0.067 4.256 4.320 0.005 0.000 0.209 49 A C 1.787 179.430 177.584 0.099 0.000 1.171 49 A CA 0.997 53.142 52.037 0.180 0.000 0.768 49 A CB -0.025 19.050 19.000 0.125 0.000 0.790 49 A HN 0.466 nan 8.150 nan 0.000 0.478 50 E N -2.325 117.887 120.200 0.021 0.000 2.441 50 E HA 0.005 4.358 4.350 0.005 0.000 0.212 50 E C 1.482 178.034 176.600 -0.080 0.000 0.840 50 E CA 0.641 57.022 56.400 -0.032 0.000 1.143 50 E CB 0.332 29.991 29.700 -0.068 0.000 1.153 50 E HN 0.439 nan 8.360 nan 0.000 0.539 51 T N 1.000 115.443 114.554 -0.186 0.000 2.851 51 T HA -0.039 4.315 4.350 0.005 0.000 0.262 51 T C 1.393 176.045 174.700 -0.080 0.000 1.043 51 T CA 0.658 62.617 62.100 -0.236 0.000 1.140 51 T CB -0.221 68.367 68.868 -0.467 0.000 0.872 51 T HN -0.003 nan 8.240 nan 0.000 0.446 52 F N 1.767 121.720 119.950 0.005 0.000 2.091 52 F HA -0.028 4.502 4.527 0.004 0.000 0.299 52 F C -0.594 175.209 175.800 0.004 0.000 1.103 52 F CA 0.821 58.836 58.000 0.026 0.000 1.228 52 F CB -1.788 37.237 39.000 0.042 0.000 0.984 52 F HN 0.197 nan 8.300 nan 0.000 0.477 53 P HA -0.189 nan 4.420 nan 0.000 0.216 53 P C 1.553 178.895 177.300 0.070 0.000 1.150 53 P CA 1.814 64.980 63.100 0.110 0.000 0.837 53 P CB -0.067 31.678 31.700 0.075 0.000 0.786 54 K N -0.177 120.250 120.400 0.046 0.000 2.002 54 K HA -0.094 4.229 4.320 0.005 0.000 0.209 54 K C 2.056 178.672 176.600 0.027 0.000 1.048 54 K CA 1.244 57.544 56.287 0.022 0.000 0.930 54 K CB -0.698 31.800 32.500 -0.004 0.000 0.714 54 K HN 0.027 nan 8.250 nan 0.000 0.438 55 L N 0.652 121.906 121.223 0.051 0.000 2.093 55 L HA -0.138 4.205 4.340 0.005 0.000 0.208 55 L C 2.455 179.323 176.870 -0.003 0.000 1.085 55 L CA 0.874 55.770 54.840 0.094 0.000 0.755 55 L CB -0.185 41.957 42.059 0.139 0.000 0.904 55 L HN 0.306 nan 8.230 nan 0.000 0.435 56 I N -0.342 120.223 120.570 -0.008 0.000 2.830 56 I HA -0.257 3.916 4.170 0.005 0.000 0.263 56 I C 2.537 178.515 176.117 -0.232 0.000 1.230 56 I CA 0.912 62.103 61.300 -0.182 0.000 1.480 56 I CB 0.025 37.994 38.000 -0.052 0.000 1.095 56 I HN 0.200 nan 8.210 nan 0.000 0.455 57 K N 0.743 121.103 120.400 -0.065 0.000 2.007 57 K HA -0.230 4.093 4.320 0.005 0.000 0.206 57 K C 2.037 178.566 176.600 -0.119 0.000 1.047 57 K CA 1.472 57.757 56.287 -0.004 0.000 0.937 57 K CB -0.124 32.390 32.500 0.024 0.000 0.718 57 K HN 0.253 nan 8.250 nan 0.000 0.438 58 E N -0.186 119.907 120.200 -0.178 0.000 2.265 58 E HA -0.181 4.172 4.350 0.005 0.000 0.196 58 E C 1.557 177.696 176.600 -0.769 0.000 0.996 58 E CA 0.831 57.075 56.400 -0.259 0.000 0.832 58 E CB 0.011 29.691 29.700 -0.034 0.000 0.756 58 E HN 0.438 nan 8.360 nan 0.000 0.491 59 A N 0.271 122.454 122.820 -1.062 0.000 1.872 59 A HA -0.101 4.222 4.320 0.005 0.000 0.214 59 A C 1.600 178.778 177.584 -0.676 0.000 1.187 59 A CA 0.823 52.039 52.037 -1.368 0.000 0.614 59 A CB -0.569 17.786 19.000 -1.075 0.000 0.826 59 A HN 0.291 nan 8.150 nan 0.000 0.442 60 F N 0.565 120.338 119.950 -0.294 0.000 2.699 60 F HA 0.074 4.603 4.527 0.002 0.000 0.298 60 F C 1.708 177.425 175.800 -0.138 0.000 1.154 60 F CA 0.776 58.676 58.000 -0.167 0.000 1.457 60 F CB -0.326 38.606 39.000 -0.114 0.000 1.106 60 F HN 0.333 nan 8.300 nan 0.000 0.585 61 E N -1.092 119.088 120.200 -0.034 0.000 2.465 61 E HA 0.069 4.422 4.350 0.005 0.000 0.191 61 E C 1.583 178.160 176.600 -0.038 0.000 1.053 61 E CA 0.005 56.390 56.400 -0.026 0.000 0.869 61 E CB 0.396 30.075 29.700 -0.035 0.000 0.977 61 E HN 0.202 nan 8.360 nan 0.000 0.483 62 V N -0.319 119.551 119.914 -0.073 0.000 3.431 62 V HA 0.177 4.300 4.120 0.005 0.000 0.255 62 V C -0.398 175.705 176.094 0.016 0.000 1.403 62 V CA 0.058 62.347 62.300 -0.017 0.000 1.101 62 V CB 1.933 33.764 31.823 0.014 0.000 0.891 62 V HN 0.022 nan 8.190 nan 0.000 0.446 63 V N 0.423 120.346 119.914 0.014 0.000 2.733 63 V HA 0.539 4.662 4.120 0.005 0.000 0.306 63 V C -1.315 174.849 176.094 0.117 0.000 1.084 63 V CA -0.692 61.644 62.300 0.060 0.000 0.905 63 V CB 2.003 33.861 31.823 0.059 0.000 1.010 63 V HN 0.417 nan 8.190 nan 0.000 0.424 64 D N 4.443 124.890 120.400 0.080 0.000 2.455 64 D HA 0.158 4.801 4.640 0.005 0.000 0.241 64 D C 1.187 177.531 176.300 0.074 0.000 1.138 64 D CA 0.451 54.486 54.000 0.058 0.000 0.877 64 D CB 1.444 42.256 40.800 0.019 0.000 1.187 64 D HN 0.659 nan 8.370 nan 0.000 0.451 65 K N 2.533 122.925 120.400 -0.014 0.000 2.097 65 K HA -0.103 4.220 4.320 0.005 0.000 0.205 65 K C 1.525 178.091 176.600 -0.057 0.000 1.050 65 K CA 0.907 57.126 56.287 -0.114 0.000 0.938 65 K CB -0.110 32.054 32.500 -0.560 0.000 0.718 65 K HN 0.438 nan 8.250 nan 0.000 0.442 66 N N 1.244 119.906 118.700 -0.064 0.000 2.205 66 N HA -0.151 4.592 4.740 0.005 0.000 0.186 66 N C 1.174 176.675 175.510 -0.014 0.000 1.015 66 N CA 0.959 53.983 53.050 -0.044 0.000 0.862 66 N CB -0.029 38.433 38.487 -0.041 0.000 0.986 66 N HN 0.272 nan 8.380 nan 0.000 0.429 67 E N 0.912 121.115 120.200 0.005 0.000 2.489 67 E HA 0.028 4.381 4.350 0.005 0.000 0.193 67 E C 0.709 177.322 176.600 0.022 0.000 1.057 67 E CA -0.116 56.292 56.400 0.014 0.000 0.866 67 E CB -0.187 29.524 29.700 0.020 0.000 0.916 67 E HN 0.489 nan 8.360 nan 0.000 0.500 68 I N -1.170 119.420 120.570 0.033 0.000 2.385 68 I HA 0.225 4.398 4.170 0.005 0.000 0.294 68 I C 0.060 176.178 176.117 0.002 0.000 0.988 68 I CA -0.059 61.261 61.300 0.034 0.000 1.265 68 I CB 1.505 39.555 38.000 0.084 0.000 1.388 68 I HN -0.345 nan 8.210 nan 0.000 0.480 69 D N 4.594 124.977 120.400 -0.028 0.000 2.441 69 D HA 0.303 4.946 4.640 0.005 0.000 0.210 69 D C -0.784 175.442 176.300 -0.125 0.000 1.102 69 D CA 0.263 54.225 54.000 -0.063 0.000 0.840 69 D CB 0.581 41.343 40.800 -0.064 0.000 0.990 69 D HN 0.437 nan 8.370 nan 0.000 0.505 70 L N 0.848 121.996 121.223 -0.125 0.000 2.482 70 L HA 0.413 4.756 4.340 0.005 0.000 0.263 70 L C -1.984 174.811 176.870 -0.125 0.000 0.957 70 L CA -0.708 54.013 54.840 -0.198 0.000 0.836 70 L CB 1.915 43.810 42.059 -0.274 0.000 1.324 70 L HN -0.223 nan 8.230 nan 0.000 0.406 71 I N 4.348 124.840 120.570 -0.130 0.000 2.330 71 I HA 0.659 4.832 4.170 0.005 0.000 0.289 71 I C 0.202 176.308 176.117 -0.018 0.000 1.001 71 I CA -0.473 60.791 61.300 -0.060 0.000 1.193 71 I CB 0.975 38.942 38.000 -0.054 0.000 1.345 71 I HN 0.750 nan 8.210 nan 0.000 0.461 72 A N 7.529 130.355 122.820 0.009 0.000 2.340 72 A HA 0.930 5.253 4.320 0.005 0.000 0.331 72 A C -0.981 176.691 177.584 0.146 0.000 1.140 72 A CA -0.392 51.661 52.037 0.028 0.000 0.801 72 A CB 1.224 20.187 19.000 -0.063 0.000 1.234 72 A HN 0.565 nan 8.150 nan 0.000 0.469 73 F N 0.089 119.987 119.950 -0.087 0.000 2.588 73 F HA 0.563 5.093 4.527 0.005 0.000 0.314 73 F C 0.053 175.832 175.800 -0.036 0.000 1.134 73 F CA -0.952 57.007 58.000 -0.069 0.000 0.961 73 F CB 0.980 39.915 39.000 -0.108 0.000 1.239 73 F HN 0.438 nan 8.300 nan 0.000 0.448 74 S N 2.338 118.028 115.700 -0.017 0.000 2.670 74 S HA 0.102 4.576 4.470 0.005 0.000 0.328 74 S C 0.581 175.138 174.600 -0.071 0.000 1.179 74 S CA 0.048 58.226 58.200 -0.037 0.000 1.194 74 S CB 0.023 63.307 63.200 0.139 0.000 1.359 74 S HN 0.886 nan 8.310 nan 0.000 0.555 75 Q N 2.535 122.152 119.800 -0.305 0.000 2.403 75 Q HA 0.267 4.610 4.340 0.005 0.000 0.203 75 Q C 0.941 176.900 176.000 -0.069 0.000 0.932 75 Q CA 0.076 55.751 55.803 -0.214 0.000 0.945 75 Q CB -0.107 28.347 28.738 -0.472 0.000 1.045 75 Q HN 0.682 nan 8.270 nan 0.000 0.511 76 G N 1.998 110.841 108.800 0.071 0.000 2.525 76 G HA2 0.264 4.227 3.960 0.005 0.000 0.276 76 G HA3 0.264 4.227 3.960 0.005 0.000 0.276 76 G C -2.376 172.635 174.900 0.184 0.000 1.388 76 G CA -1.429 43.845 45.100 0.290 0.000 1.050 76 G HN 0.098 nan 8.290 nan 0.000 0.520 77 P HA 0.279 nan 4.420 nan 0.000 0.260 77 P C 0.398 177.716 177.300 0.029 0.000 1.172 77 P CA 1.217 64.386 63.100 0.115 0.000 0.760 77 P CB 0.629 32.409 31.700 0.134 0.000 0.773 78 G N 1.823 110.632 108.800 0.015 0.000 2.320 78 G HA2 0.352 4.315 3.960 0.005 0.000 0.296 78 G HA3 0.352 4.315 3.960 0.005 0.000 0.296 78 G C -1.763 173.139 174.900 0.003 0.000 1.306 78 G CA -0.875 44.210 45.100 -0.026 0.000 0.836 78 G HN 0.313 nan 8.290 nan 0.000 0.517 79 L N 1.224 122.448 121.223 0.003 0.000 2.452 79 L HA 0.458 4.801 4.340 0.005 0.000 0.267 79 L C 2.080 178.967 176.870 0.028 0.000 1.188 79 L CA 1.174 56.026 54.840 0.021 0.000 0.821 79 L CB 0.656 42.735 42.059 0.034 0.000 1.102 79 L HN 0.877 nan 8.230 nan 0.000 0.470 80 G N 2.026 110.845 108.800 0.032 0.000 2.453 80 G HA2 -0.128 3.836 3.960 0.005 0.000 0.215 80 G HA3 -0.128 3.836 3.960 0.005 0.000 0.215 80 G C -0.844 174.079 174.900 0.039 0.000 1.201 80 G CA 0.784 45.904 45.100 0.033 0.000 0.784 80 G HN 0.683 nan 8.290 nan 0.000 0.545 81 P HA 0.016 nan 4.420 nan 0.000 0.217 81 P C 1.971 179.319 177.300 0.079 0.000 1.151 81 P CA 1.441 64.576 63.100 0.059 0.000 0.828 81 P CB -0.065 31.672 31.700 0.063 0.000 0.788 82 S N 0.166 115.921 115.700 0.092 0.000 2.370 82 S HA -0.118 4.355 4.470 0.005 0.000 0.226 82 S C 1.976 176.571 174.600 -0.008 0.000 1.033 82 S CA 1.062 59.318 58.200 0.093 0.000 1.011 82 S CB -1.045 62.219 63.200 0.107 0.000 0.852 82 S HN 0.037 nan 8.310 nan 0.000 0.457 83 L N 1.316 122.547 121.223 0.014 0.000 2.027 83 L HA 0.066 4.409 4.340 0.005 0.000 0.206 83 L C 2.488 179.385 176.870 0.045 0.000 1.074 83 L CA 1.599 56.458 54.840 0.032 0.000 0.745 83 L CB -0.482 41.604 42.059 0.044 0.000 0.898 83 L HN 0.150 nan 8.230 nan 0.000 0.433 84 R N -1.094 119.427 120.500 0.034 0.000 2.237 84 R HA -0.087 4.257 4.340 0.005 0.000 0.219 84 R C 1.995 178.289 176.300 -0.009 0.000 1.080 84 R CA 0.709 56.816 56.100 0.011 0.000 0.995 84 R CB 0.025 30.333 30.300 0.013 0.000 0.875 84 R HN 0.222 nan 8.270 nan 0.000 0.462 85 V N -0.428 119.503 119.914 0.027 0.000 2.323 85 V HA -0.178 3.945 4.120 0.005 0.000 0.244 85 V C 2.010 178.090 176.094 -0.023 0.000 1.041 85 V CA 2.092 64.421 62.300 0.049 0.000 1.025 85 V CB -0.305 31.617 31.823 0.165 0.000 0.656 85 V HN 0.376 nan 8.190 nan 0.000 0.451 86 T N 0.666 115.211 114.554 -0.015 0.000 2.788 86 T HA -0.139 4.214 4.350 0.005 0.000 0.268 86 T C 2.035 176.571 174.700 -0.274 0.000 1.044 86 T CA 1.537 63.536 62.100 -0.170 0.000 1.139 86 T CB -0.402 68.489 68.868 0.039 0.000 0.867 86 T HN 0.543 nan 8.240 nan 0.000 0.454 87 A N 1.252 123.943 122.820 -0.215 0.000 1.972 87 A HA -0.094 4.229 4.320 0.005 0.000 0.219 87 A C 2.517 179.846 177.584 -0.426 0.000 1.169 87 A CA 1.835 53.581 52.037 -0.484 0.000 0.635 87 A CB -1.052 17.810 19.000 -0.230 0.000 0.810 87 A HN 0.470 nan 8.150 nan 0.000 0.446 88 T N -0.292 114.111 114.554 -0.252 0.000 2.732 88 T HA -0.095 4.258 4.350 0.005 0.000 0.261 88 T C 1.895 176.461 174.700 -0.224 0.000 1.040 88 T CA 1.608 63.593 62.100 -0.192 0.000 1.145 88 T CB -0.457 68.348 68.868 -0.104 0.000 0.866 88 T HN 0.175 nan 8.240 nan 0.000 0.427 89 V N 1.892 121.644 119.914 -0.270 0.000 2.407 89 V HA -0.142 3.981 4.120 0.005 0.000 0.248 89 V C 2.866 178.779 176.094 -0.301 0.000 1.055 89 V CA 1.580 63.704 62.300 -0.293 0.000 1.049 89 V CB -1.289 30.247 31.823 -0.477 0.000 0.662 89 V HN 0.516 nan 8.190 nan 0.000 0.455 90 A N -0.028 122.552 122.820 -0.400 0.000 1.873 90 A HA -0.171 4.152 4.320 0.005 0.000 0.215 90 A C 2.421 179.806 177.584 -0.333 0.000 1.186 90 A CA 1.545 53.341 52.037 -0.402 0.000 0.616 90 A CB -0.471 18.100 19.000 -0.715 0.000 0.823 90 A HN 0.450 nan 8.150 nan 0.000 0.442 91 R N -0.930 119.352 120.500 -0.362 0.000 2.148 91 R HA -0.068 4.275 4.340 0.005 0.000 0.227 91 R C 2.139 178.353 176.300 -0.143 0.000 1.103 91 R CA 1.634 57.594 56.100 -0.234 0.000 0.983 91 R CB -0.445 29.726 30.300 -0.215 0.000 0.874 91 R HN 0.558 nan 8.270 nan 0.000 0.451 92 T N 1.348 115.819 114.554 -0.140 0.000 2.732 92 T HA -0.090 4.263 4.350 0.005 0.000 0.261 92 T C 1.677 176.334 174.700 -0.071 0.000 1.040 92 T CA 0.736 62.782 62.100 -0.090 0.000 1.145 92 T CB -0.170 68.650 68.868 -0.081 0.000 0.866 92 T HN -0.003 nan 8.240 nan 0.000 0.427 93 L N 1.981 123.159 121.223 -0.075 0.000 2.051 93 L HA -0.157 4.186 4.340 0.005 0.000 0.214 93 L C 2.836 179.683 176.870 -0.038 0.000 1.076 93 L CA 2.086 56.905 54.840 -0.035 0.000 0.758 93 L CB -1.244 40.800 42.059 -0.024 0.000 0.890 93 L HN 0.424 nan 8.230 nan 0.000 0.433 94 S N -0.680 114.985 115.700 -0.059 0.000 2.402 94 S HA -0.141 4.332 4.470 0.005 0.000 0.229 94 S C 1.812 176.402 174.600 -0.017 0.000 1.021 94 S CA 1.364 59.537 58.200 -0.044 0.000 0.974 94 S CB -0.550 62.615 63.200 -0.057 0.000 0.800 94 S HN 0.415 nan 8.310 nan 0.000 0.484 95 L N 0.710 121.920 121.223 -0.022 0.000 2.408 95 L HA 0.358 4.701 4.340 0.005 0.000 0.215 95 L C 2.271 179.129 176.870 -0.020 0.000 1.081 95 L CA 1.115 55.950 54.840 -0.009 0.000 0.840 95 L CB -1.579 40.475 42.059 -0.009 0.000 1.002 95 L HN 0.358 nan 8.230 nan 0.000 0.468 96 T N -2.931 111.603 114.554 -0.033 0.000 3.118 96 T HA 0.145 4.498 4.350 0.005 0.000 0.260 96 T C 1.494 176.161 174.700 -0.055 0.000 1.139 96 T CA 0.508 62.582 62.100 -0.044 0.000 1.085 96 T CB -0.119 68.719 68.868 -0.051 0.000 0.934 96 T HN 0.208 nan 8.240 nan 0.000 0.518 97 L N -0.148 121.049 121.223 -0.044 0.000 2.701 97 L HA 0.428 4.771 4.340 0.005 0.000 0.238 97 L C 0.901 177.755 176.870 -0.026 0.000 1.106 97 L CA 0.439 55.251 54.840 -0.046 0.000 0.898 97 L CB -0.531 41.506 42.059 -0.037 0.000 1.188 97 L HN 0.304 nan 8.230 nan 0.000 0.508 98 K N 0.739 121.132 120.400 -0.011 0.000 3.016 98 K HA -0.178 4.145 4.320 0.005 0.000 0.262 98 K C -0.267 176.348 176.600 0.025 0.000 1.043 98 K CA 0.667 56.961 56.287 0.013 0.000 0.761 98 K CB -0.580 31.925 32.500 0.009 0.000 1.230 98 K HN 0.121 nan 8.250 nan 0.000 0.485 99 K N 0.003 120.406 120.400 0.006 0.000 2.207 99 K HA 0.405 4.728 4.320 0.005 0.000 0.255 99 K C -2.603 173.970 176.600 -0.045 0.000 0.941 99 K CA -2.499 53.778 56.287 -0.018 0.000 0.825 99 K CB 1.192 33.663 32.500 -0.048 0.000 1.119 99 K HN -0.229 nan 8.250 nan 0.000 0.430 100 P HA 0.022 nan 4.420 nan 0.000 0.266 100 P C -0.466 176.602 177.300 -0.386 0.000 1.193 100 P CA -0.127 62.772 63.100 -0.334 0.000 0.770 100 P CB 0.210 31.529 31.700 -0.635 0.000 0.836 101 I N 1.722 122.049 120.570 -0.404 0.000 2.437 101 I HA 0.557 4.730 4.170 0.005 0.000 0.298 101 I C -0.105 175.874 176.117 -0.231 0.000 0.984 101 I CA -0.547 60.632 61.300 -0.202 0.000 1.214 101 I CB 0.872 38.850 38.000 -0.036 0.000 1.365 101 I HN 0.111 nan 8.210 nan 0.000 0.469 102 I N 3.839 124.363 120.570 -0.077 0.000 2.497 102 I HA 0.665 4.838 4.170 0.005 0.000 0.284 102 I C 0.123 176.119 176.117 -0.201 0.000 1.060 102 I CA -0.099 61.129 61.300 -0.120 0.000 1.071 102 I CB 1.325 39.240 38.000 -0.142 0.000 1.216 102 I HN 0.731 nan 8.210 nan 0.000 0.442 103 G N 7.480 116.096 108.800 -0.306 0.000 2.360 103 G HA2 0.508 4.471 3.960 0.005 0.000 0.279 103 G HA3 0.508 4.471 3.960 0.005 0.000 0.279 103 G C -0.353 174.267 174.900 -0.467 0.000 1.189 103 G CA -0.099 44.547 45.100 -0.757 0.000 0.941 103 G HN 0.850 nan 8.290 nan 0.000 0.445 104 V N 1.177 120.807 119.914 -0.474 0.000 2.769 104 V HA 0.585 4.708 4.120 0.005 0.000 0.312 104 V C 0.030 176.073 176.094 -0.086 0.000 1.058 104 V CA -1.711 60.445 62.300 -0.240 0.000 0.952 104 V CB 1.815 33.493 31.823 -0.241 0.000 1.019 104 V HN 0.636 nan 8.190 nan 0.000 0.445 105 N N 1.025 119.746 118.700 0.034 0.000 2.458 105 N HA 0.193 4.936 4.740 0.005 0.000 0.270 105 N C 0.838 176.358 175.510 0.017 0.000 1.102 105 N CA -0.005 53.114 53.050 0.116 0.000 0.967 105 N CB 0.839 39.319 38.487 -0.010 0.000 1.078 105 N HN 0.985 nan 8.380 nan 0.000 0.471 106 H N 3.008 122.080 119.070 0.005 0.000 2.353 106 H HA -0.087 4.472 4.556 0.005 0.000 0.300 106 H C 1.321 176.636 175.328 -0.022 0.000 1.090 106 H CA 2.057 58.110 56.048 0.009 0.000 1.327 106 H CB -0.146 29.662 29.762 0.076 0.000 1.383 106 H HN 0.710 nan 8.280 nan 0.000 0.508 107 C N 0.126 119.378 119.300 -0.080 0.000 2.436 107 C HA -0.103 4.360 4.460 0.005 0.000 0.277 107 C C 2.868 177.620 174.990 -0.397 0.000 1.241 107 C CA 1.168 60.009 59.018 -0.295 0.000 1.721 107 C CB -1.077 26.609 27.740 -0.089 0.000 2.043 107 C HN 0.608 nan 8.230 nan 0.000 0.472 108 I N 1.671 122.050 120.570 -0.318 0.000 2.335 108 I HA -0.220 3.953 4.170 0.005 0.000 0.251 108 I C 2.707 178.627 176.117 -0.329 0.000 1.129 108 I CA 1.454 62.511 61.300 -0.404 0.000 1.402 108 I CB -0.509 37.285 38.000 -0.342 0.000 1.069 108 I HN 0.306 nan 8.210 nan 0.000 0.424 109 A N 0.009 122.650 122.820 -0.298 0.000 1.940 109 A HA -0.258 4.066 4.320 0.005 0.000 0.219 109 A C 2.225 179.628 177.584 -0.303 0.000 1.176 109 A CA 1.604 53.476 52.037 -0.275 0.000 0.631 109 A CB -0.911 17.925 19.000 -0.274 0.000 0.814 109 A HN 0.450 nan 8.150 nan 0.000 0.446 110 H N -0.532 118.276 119.070 -0.436 0.000 2.389 110 H HA -0.043 4.516 4.556 0.006 0.000 0.299 110 H C 2.089 177.243 175.328 -0.290 0.000 1.081 110 H CA 1.817 57.620 56.048 -0.408 0.000 1.345 110 H CB -0.080 29.253 29.762 -0.714 0.000 1.393 110 H HN 0.523 nan 8.280 nan 0.000 0.520 111 I N 0.710 121.167 120.570 -0.187 0.000 2.315 111 I HA -0.192 3.981 4.170 0.005 0.000 0.248 111 I C 2.403 178.471 176.117 -0.082 0.000 1.117 111 I CA 0.942 62.160 61.300 -0.138 0.000 1.404 111 I CB -0.064 37.809 38.000 -0.212 0.000 1.071 111 I HN 0.088 nan 8.210 nan 0.000 0.419 112 E N 1.092 121.250 120.200 -0.069 0.000 2.072 112 E HA -0.150 4.203 4.350 0.005 0.000 0.190 112 E C 2.082 178.625 176.600 -0.095 0.000 0.982 112 E CA 1.290 57.714 56.400 0.039 0.000 0.803 112 E CB -0.305 29.487 29.700 0.153 0.000 0.755 112 E HN 0.615 nan 8.360 nan 0.000 0.453 113 I N -1.742 118.708 120.570 -0.200 0.000 3.444 113 I HA 0.141 4.314 4.170 0.005 0.000 0.287 113 I C 1.882 177.773 176.117 -0.376 0.000 1.302 113 I CA 0.823 61.864 61.300 -0.432 0.000 1.368 113 I CB -0.614 37.137 38.000 -0.415 0.000 1.048 113 I HN -0.104 nan 8.210 nan 0.000 0.487 114 G N 1.476 110.144 108.800 -0.219 0.000 2.425 114 G HA2 -0.122 3.841 3.960 0.005 0.000 0.213 114 G HA3 -0.122 3.841 3.960 0.005 0.000 0.213 114 G C 1.642 176.408 174.900 -0.223 0.000 1.201 114 G CA 0.264 45.260 45.100 -0.174 0.000 0.799 114 G HN 0.374 nan 8.290 nan 0.000 0.534 115 K N -0.079 120.204 120.400 -0.195 0.000 2.103 115 K HA 0.056 4.379 4.320 0.005 0.000 0.207 115 K C 2.277 178.722 176.600 -0.259 0.000 1.048 115 K CA 0.635 56.801 56.287 -0.202 0.000 0.930 115 K CB -0.270 32.177 32.500 -0.088 0.000 0.716 115 K HN 0.195 nan 8.250 nan 0.000 0.444 116 L N 1.405 122.410 121.223 -0.364 0.000 2.291 116 L HA -0.100 4.243 4.340 0.005 0.000 0.214 116 L C 2.033 178.604 176.870 -0.499 0.000 1.120 116 L CA 1.969 56.489 54.840 -0.533 0.000 0.799 116 L CB -0.732 40.739 42.059 -0.981 0.000 0.925 116 L HN 0.372 nan 8.230 nan 0.000 0.446 117 T N -4.364 109.915 114.554 -0.458 0.000 3.045 117 T HA 0.018 4.371 4.350 0.005 0.000 0.239 117 T C 1.138 175.712 174.700 -0.210 0.000 1.008 117 T CA 0.477 62.356 62.100 -0.368 0.000 1.143 117 T CB -0.529 68.090 68.868 -0.414 0.000 0.894 117 T HN 0.377 nan 8.240 nan 0.000 0.451 118 T N 1.876 116.314 114.554 -0.192 0.000 2.882 118 T HA 0.278 4.631 4.350 0.005 0.000 0.287 118 T C 0.509 175.096 174.700 -0.189 0.000 1.014 118 T CA -0.683 61.343 62.100 -0.123 0.000 1.049 118 T CB 0.982 69.788 68.868 -0.103 0.000 1.001 118 T HN 0.588 nan 8.240 nan 0.000 0.525 119 E N 0.504 120.650 120.200 -0.090 0.000 2.528 119 E HA 0.412 4.765 4.350 0.005 0.000 0.237 119 E C 0.354 176.691 176.600 -0.439 0.000 1.408 119 E CA -0.753 55.577 56.400 -0.115 0.000 1.571 119 E CB -0.491 29.248 29.700 0.065 0.000 1.395 119 E HN 0.686 nan 8.360 nan 0.000 0.438 120 A N 0.938 123.270 122.820 -0.814 0.000 2.282 120 A HA 0.358 4.682 4.320 0.005 0.000 0.319 120 A C 0.352 177.686 177.584 -0.417 0.000 1.121 120 A CA -0.574 50.850 52.037 -1.021 0.000 0.836 120 A CB 1.054 19.366 19.000 -1.146 0.000 1.146 120 A HN 0.333 nan 8.150 nan 0.000 0.494 121 E N -0.782 119.255 120.200 -0.273 0.000 2.571 121 E HA 0.069 4.423 4.350 0.005 0.000 0.204 121 E C -1.007 175.554 176.600 -0.065 0.000 0.851 121 E CA 0.153 56.477 56.400 -0.127 0.000 1.358 121 E CB 0.747 30.397 29.700 -0.083 0.000 1.327 121 E HN 0.618 nan 8.360 nan 0.000 0.665 122 D N 1.393 121.766 120.400 -0.046 0.000 2.517 122 D HA 0.196 4.840 4.640 0.005 0.000 0.263 122 D C -2.850 173.468 176.300 0.030 0.000 1.233 122 D CA -1.971 52.036 54.000 0.011 0.000 0.849 122 D CB 1.094 41.908 40.800 0.023 0.000 1.261 122 D HN -0.106 nan 8.370 nan 0.000 0.516 123 P HA 0.358 nan 4.420 nan 0.000 0.293 123 P C -0.618 176.733 177.300 0.085 0.000 1.291 123 P CA -0.997 62.136 63.100 0.054 0.000 0.867 123 P CB 1.459 33.170 31.700 0.017 0.000 1.074 124 L N 2.943 124.205 121.223 0.065 0.000 2.407 124 L HA 0.317 4.660 4.340 0.005 0.000 0.282 124 L C 0.119 177.034 176.870 0.075 0.000 1.110 124 L CA 0.474 55.346 54.840 0.052 0.000 0.863 124 L CB -0.503 41.550 42.059 -0.010 0.000 1.207 124 L HN 0.460 nan 8.230 nan 0.000 0.454 125 T N 3.134 117.746 114.554 0.097 0.000 2.767 125 T HA 0.439 4.792 4.350 0.005 0.000 0.284 125 T C -0.383 174.376 174.700 0.099 0.000 0.973 125 T CA -0.838 61.314 62.100 0.087 0.000 0.996 125 T CB 1.205 70.114 68.868 0.069 0.000 0.927 125 T HN 0.491 nan 8.240 nan 0.000 0.456 126 L N 5.377 126.655 121.223 0.092 0.000 2.282 126 L HA 0.385 4.729 4.340 0.005 0.000 0.287 126 L C -0.900 176.037 176.870 0.111 0.000 1.075 126 L CA -0.947 53.945 54.840 0.087 0.000 0.839 126 L CB -0.273 41.821 42.059 0.058 0.000 1.219 126 L HN 0.798 nan 8.230 nan 0.000 0.434 127 Y N 6.369 126.646 120.300 -0.038 0.000 2.627 127 Y HA 0.456 5.009 4.550 0.005 0.000 0.347 127 Y C -0.533 175.305 175.900 -0.103 0.000 1.099 127 Y CA -1.360 56.683 58.100 -0.096 0.000 1.408 127 Y CB 0.328 38.715 38.460 -0.123 0.000 1.247 127 Y HN 0.387 nan 8.280 nan 0.000 0.506 128 V N 3.909 123.688 119.914 -0.225 0.000 2.313 128 V HA 0.768 4.891 4.120 0.005 0.000 0.278 128 V C -0.197 175.671 176.094 -0.376 0.000 1.017 128 V CA -0.225 61.879 62.300 -0.327 0.000 0.823 128 V CB 0.217 31.918 31.823 -0.203 0.000 1.010 128 V HN 0.714 nan 8.190 nan 0.000 0.443 129 S N 3.062 118.447 115.700 -0.526 0.000 2.709 129 S HA 0.768 5.241 4.470 0.005 0.000 0.302 129 S C 1.165 175.614 174.600 -0.252 0.000 1.127 129 S CA -0.077 57.917 58.200 -0.342 0.000 0.905 129 S CB 1.448 64.436 63.200 -0.354 0.000 1.151 129 S HN 1.171 nan 8.310 nan 0.000 0.510 130 G N 0.183 108.893 108.800 -0.150 0.000 2.450 130 G HA2 0.050 4.013 3.960 0.005 0.000 0.220 130 G HA3 0.050 4.013 3.960 0.005 0.000 0.220 130 G C 1.131 175.958 174.900 -0.121 0.000 1.130 130 G CA 0.847 45.875 45.100 -0.119 0.000 0.760 130 G HN 1.063 nan 8.290 nan 0.000 0.557 131 G N 0.599 109.328 108.800 -0.119 0.000 2.417 131 G HA2 0.185 4.148 3.960 0.005 0.000 0.212 131 G HA3 0.185 4.148 3.960 0.005 0.000 0.212 131 G C 0.613 175.437 174.900 -0.127 0.000 1.187 131 G CA 0.808 45.852 45.100 -0.094 0.000 0.804 131 G HN 0.681 nan 8.290 nan 0.000 0.534 132 N N -1.683 116.883 118.700 -0.224 0.000 2.610 132 N HA 0.530 5.273 4.740 0.005 0.000 0.264 132 N C -1.544 173.732 175.510 -0.389 0.000 1.348 132 N CA -0.674 52.235 53.050 -0.235 0.000 0.819 132 N CB 1.638 40.051 38.487 -0.123 0.000 1.521 132 N HN -0.018 nan 8.380 nan 0.000 0.497 133 T N -0.734 113.670 114.554 -0.249 0.000 3.071 133 T HA 0.610 4.963 4.350 0.005 0.000 0.311 133 T C -2.107 172.551 174.700 -0.070 0.000 1.042 133 T CA -0.399 61.567 62.100 -0.223 0.000 1.028 133 T CB 0.329 69.076 68.868 -0.201 0.000 1.068 133 T HN 0.749 nan 8.240 nan 0.000 0.451 134 Q N 2.167 121.952 119.800 -0.024 0.000 2.721 134 Q HA 0.519 4.862 4.340 0.005 0.000 0.282 134 Q C -1.991 174.070 176.000 0.102 0.000 0.932 134 Q CA -1.169 54.668 55.803 0.057 0.000 0.816 134 Q CB 1.229 30.006 28.738 0.064 0.000 1.506 134 Q HN 0.412 nan 8.270 nan 0.000 0.399 135 V N 2.341 122.327 119.914 0.122 0.000 2.364 135 V HA 0.454 4.577 4.120 0.005 0.000 0.272 135 V C -0.503 175.720 176.094 0.214 0.000 1.036 135 V CA -0.307 62.081 62.300 0.146 0.000 0.880 135 V CB 0.560 32.457 31.823 0.124 0.000 0.991 135 V HN 0.572 nan 8.190 nan 0.000 0.460 136 I N 4.164 124.856 120.570 0.204 0.000 2.474 136 I HA 0.836 5.009 4.170 0.005 0.000 0.294 136 I C 0.126 176.420 176.117 0.294 0.000 1.005 136 I CA -0.319 61.137 61.300 0.261 0.000 1.113 136 I CB 2.065 40.173 38.000 0.179 0.000 1.289 136 I HN 0.665 nan 8.210 nan 0.000 0.436 137 A N 4.469 127.522 122.820 0.389 0.000 2.459 137 A HA 0.477 4.800 4.320 0.005 0.000 0.296 137 A C -1.337 176.424 177.584 0.295 0.000 1.039 137 A CA -0.594 51.630 52.037 0.311 0.000 0.698 137 A CB 0.606 19.668 19.000 0.103 0.000 1.261 137 A HN 0.618 nan 8.150 nan 0.000 0.405 138 Y N 3.633 123.921 120.300 -0.020 0.000 2.802 138 Y HA 0.340 4.893 4.550 0.006 0.000 0.351 138 Y C -0.038 175.742 175.900 -0.200 0.000 1.237 138 Y CA 0.646 58.475 58.100 -0.451 0.000 1.599 138 Y CB 0.175 38.049 38.460 -0.977 0.000 1.214 138 Y HN 0.867 nan 8.280 nan 0.000 0.520 139 V N 2.149 121.750 119.914 -0.521 0.000 2.525 139 V HA 0.582 4.705 4.120 0.005 0.000 0.299 139 V C -0.133 175.650 176.094 -0.518 0.000 1.034 139 V CA -0.878 61.151 62.300 -0.452 0.000 0.863 139 V CB 1.087 32.880 31.823 -0.050 0.000 0.999 139 V HN 0.834 nan 8.190 nan 0.000 0.423 140 S N 3.368 118.732 115.700 -0.560 0.000 3.727 140 S HA -0.176 4.297 4.470 0.005 0.000 0.444 140 S C 0.871 175.247 174.600 -0.373 0.000 0.867 140 S CA 0.929 58.908 58.200 -0.369 0.000 1.324 140 S CB -1.445 61.633 63.200 -0.203 0.000 0.890 140 S HN 1.645 nan 8.310 nan 0.000 0.599 141 K N -1.388 118.745 120.400 -0.444 0.000 3.577 141 K HA -0.313 4.010 4.320 0.005 0.000 0.300 141 K C -0.046 176.556 176.600 0.003 0.000 1.235 141 K CA 2.251 58.481 56.287 -0.094 0.000 1.028 141 K CB -0.389 32.072 32.500 -0.065 0.000 1.306 141 K HN 0.591 nan 8.250 nan 0.000 0.432 142 K N -0.625 119.681 120.400 -0.157 0.000 2.395 142 K HA 0.379 4.702 4.320 0.005 0.000 0.247 142 K C -1.180 175.399 176.600 -0.035 0.000 0.973 142 K CA -0.685 55.577 56.287 -0.041 0.000 0.828 142 K CB 0.901 33.359 32.500 -0.071 0.000 1.272 142 K HN 0.010 nan 8.250 nan 0.000 0.439 143 Y N 1.519 121.890 120.300 0.118 0.000 2.436 143 Y HA 0.244 4.797 4.550 0.005 0.000 0.343 143 Y C 0.217 176.111 175.900 -0.010 0.000 1.008 143 Y CA 0.266 58.438 58.100 0.119 0.000 1.241 143 Y CB 0.790 39.335 38.460 0.142 0.000 1.153 143 Y HN 0.191 nan 8.280 nan 0.000 0.521 144 R N 2.139 122.706 120.500 0.111 0.000 2.514 144 R HA 0.533 4.876 4.340 0.005 0.000 0.301 144 R C -1.304 174.914 176.300 -0.136 0.000 0.962 144 R CA -1.007 55.014 56.100 -0.132 0.000 0.882 144 R CB 1.911 31.980 30.300 -0.386 0.000 1.143 144 R HN 0.485 nan 8.270 nan 0.000 0.452 145 V N 5.252 125.038 119.914 -0.215 0.000 2.461 145 V HA 0.246 4.369 4.120 0.005 0.000 0.275 145 V C -0.387 175.531 176.094 -0.294 0.000 1.047 145 V CA 0.383 62.619 62.300 -0.107 0.000 0.955 145 V CB 0.558 32.350 31.823 -0.052 0.000 0.988 145 V HN 0.749 nan 8.190 nan 0.000 0.471 146 F N 4.696 124.642 119.950 -0.007 0.000 2.478 146 F HA 0.482 5.012 4.527 0.005 0.000 0.260 146 F C 1.818 177.623 175.800 0.007 0.000 0.974 146 F CA 0.624 58.616 58.000 -0.014 0.000 1.075 146 F CB -0.682 38.281 39.000 -0.062 0.000 1.165 146 F HN 0.585 nan 8.300 nan 0.000 0.692 147 G N 0.550 109.490 108.800 0.234 0.000 2.441 147 G HA2 0.408 4.371 3.960 0.005 0.000 0.243 147 G HA3 0.408 4.371 3.960 0.005 0.000 0.243 147 G C -1.140 173.822 174.900 0.102 0.000 1.281 147 G CA 0.121 45.303 45.100 0.138 0.000 0.854 147 G HN 0.298 nan 8.290 nan 0.000 0.560 148 E N 0.182 120.432 120.200 0.082 0.000 2.354 148 E HA 0.273 4.626 4.350 0.005 0.000 0.283 148 E C -0.666 175.981 176.600 0.078 0.000 0.938 148 E CA -0.602 55.837 56.400 0.065 0.000 0.777 148 E CB 1.621 31.342 29.700 0.036 0.000 1.222 148 E HN 0.402 nan 8.360 nan 0.000 0.423 149 T N 3.522 118.131 114.554 0.091 0.000 2.888 149 T HA 0.140 4.493 4.350 0.005 0.000 0.301 149 T C 1.082 175.832 174.700 0.084 0.000 1.001 149 T CA 0.282 62.461 62.100 0.132 0.000 1.147 149 T CB 0.330 69.281 68.868 0.139 0.000 0.931 149 T HN 0.413 nan 8.240 nan 0.000 0.541 150 L N 2.827 124.101 121.223 0.086 0.000 2.529 150 L HA 0.156 4.499 4.340 0.005 0.000 0.223 150 L C 1.418 178.323 176.870 0.059 0.000 1.113 150 L CA 0.316 55.190 54.840 0.058 0.000 0.861 150 L CB -0.027 42.060 42.059 0.047 0.000 1.012 150 L HN 0.683 nan 8.230 nan 0.000 0.461 151 D N 0.275 120.724 120.400 0.081 0.000 3.045 151 D HA 0.187 4.830 4.640 0.005 0.000 0.196 151 D C 0.456 176.790 176.300 0.058 0.000 1.520 151 D CA 0.091 54.133 54.000 0.070 0.000 1.466 151 D CB 0.222 41.071 40.800 0.082 0.000 1.152 151 D HN 0.108 nan 8.370 nan 0.000 0.254 152 I N -1.509 119.107 120.570 0.075 0.000 2.769 152 I HA 0.814 4.987 4.170 0.005 0.000 0.298 152 I C -0.395 175.680 176.117 -0.071 0.000 1.128 152 I CA -1.913 59.392 61.300 0.009 0.000 1.031 152 I CB 2.309 40.313 38.000 0.007 0.000 1.235 152 I HN 0.185 nan 8.210 nan 0.000 0.423 153 A N 3.708 126.441 122.820 -0.145 0.000 2.466 153 A HA 0.340 4.664 4.320 0.005 0.000 0.238 153 A C 1.221 178.525 177.584 -0.466 0.000 1.074 153 A CA -0.145 51.731 52.037 -0.268 0.000 0.774 153 A CB 0.402 19.268 19.000 -0.222 0.000 1.015 153 A HN 0.761 nan 8.150 nan 0.000 0.498 154 V N 2.752 122.271 119.914 -0.657 0.000 2.392 154 V HA -0.220 3.903 4.120 0.005 0.000 0.249 154 V C 2.706 178.599 176.094 -0.334 0.000 1.059 154 V CA 2.509 64.356 62.300 -0.755 0.000 1.051 154 V CB -1.726 29.784 31.823 -0.521 0.000 0.658 154 V HN 1.072 nan 8.190 nan 0.000 0.455 155 G N -0.003 108.651 108.800 -0.243 0.000 2.459 155 G HA2 -0.374 3.590 3.960 0.005 0.000 0.217 155 G HA3 -0.374 3.590 3.960 0.005 0.000 0.217 155 G C 1.433 176.267 174.900 -0.110 0.000 1.183 155 G CA 1.251 46.267 45.100 -0.140 0.000 0.776 155 G HN 0.588 nan 8.290 nan 0.000 0.552 156 N N -0.722 117.901 118.700 -0.129 0.000 2.036 156 N HA -0.210 4.533 4.740 0.005 0.000 0.195 156 N C 2.269 177.745 175.510 -0.057 0.000 1.037 156 N CA 1.838 54.838 53.050 -0.084 0.000 0.855 156 N CB -0.403 38.035 38.487 -0.083 0.000 1.033 156 N HN 0.355 nan 8.380 nan 0.000 0.423 157 C N -0.023 119.218 119.300 -0.099 0.000 2.429 157 C HA -0.008 4.455 4.460 0.005 0.000 0.277 157 C C 2.540 177.546 174.990 0.027 0.000 1.262 157 C CA 0.487 59.485 59.018 -0.034 0.000 1.733 157 C CB -1.385 26.310 27.740 -0.074 0.000 2.010 157 C HN 0.584 nan 8.230 nan 0.000 0.483 158 L N 0.595 121.820 121.223 0.003 0.000 2.044 158 L HA -0.057 4.286 4.340 0.005 0.000 0.205 158 L C 2.465 179.398 176.870 0.106 0.000 1.075 158 L CA 2.132 57.019 54.840 0.079 0.000 0.747 158 L CB -0.619 41.481 42.059 0.068 0.000 0.903 158 L HN 0.302 nan 8.230 nan 0.000 0.435 159 D N -0.715 119.709 120.400 0.040 0.000 2.123 159 D HA -0.231 4.412 4.640 0.005 0.000 0.196 159 D C 2.137 178.453 176.300 0.027 0.000 0.992 159 D CA 0.961 54.975 54.000 0.023 0.000 0.833 159 D CB -0.070 40.725 40.800 -0.008 0.000 0.954 159 D HN 0.305 nan 8.370 nan 0.000 0.455 160 Q N -0.526 119.299 119.800 0.041 0.000 2.124 160 Q HA -0.114 4.229 4.340 0.005 0.000 0.202 160 Q C 1.033 177.077 176.000 0.073 0.000 0.977 160 Q CA 0.348 56.177 55.803 0.044 0.000 0.850 160 Q CB -0.273 28.494 28.738 0.049 0.000 0.901 160 Q HN 0.241 nan 8.270 nan 0.000 0.429 173 P HA -0.144 nan 4.420 nan 0.000 0.216 173 P C 1.258 178.452 177.300 -0.176 0.000 1.157 173 P CA 1.550 64.488 63.100 -0.269 0.000 0.880 173 P CB -0.261 31.123 31.700 -0.526 0.000 0.791 174 Y N -0.823 119.495 120.300 0.029 0.000 2.373 174 Y HA -0.007 4.546 4.550 0.005 0.000 0.293 174 Y C 2.610 178.535 175.900 0.042 0.000 1.129 174 Y CA 0.199 58.315 58.100 0.026 0.000 1.226 174 Y CB -1.456 37.006 38.460 0.004 0.000 1.000 174 Y HN -0.084 nan 8.280 nan 0.000 0.549 175 I N -0.175 120.495 120.570 0.166 0.000 2.439 175 I HA -0.196 3.978 4.170 0.005 0.000 0.251 175 I C 2.421 178.613 176.117 0.124 0.000 1.139 175 I CA 1.259 62.651 61.300 0.154 0.000 1.438 175 I CB -0.201 37.899 38.000 0.167 0.000 1.085 175 I HN 0.239 nan 8.210 nan 0.000 0.427 176 E N 0.974 121.234 120.200 0.099 0.000 2.107 176 E HA -0.216 4.138 4.350 0.005 0.000 0.191 176 E C 2.049 178.712 176.600 0.105 0.000 0.982 176 E CA 0.852 57.309 56.400 0.095 0.000 0.809 176 E CB 0.225 29.977 29.700 0.088 0.000 0.756 176 E HN 0.295 nan 8.360 nan 0.000 0.459 177 E N 0.695 120.962 120.200 0.112 0.000 2.023 177 E HA -0.186 4.168 4.350 0.005 0.000 0.196 177 E C 2.285 178.961 176.600 0.127 0.000 1.003 177 E CA 0.975 57.449 56.400 0.125 0.000 0.809 177 E CB -0.341 29.459 29.700 0.166 0.000 0.755 177 E HN 0.325 nan 8.360 nan 0.000 0.449 178 L N 0.435 121.741 121.223 0.139 0.000 2.131 178 L HA -0.161 4.182 4.340 0.005 0.000 0.210 178 L C 2.490 179.448 176.870 0.146 0.000 1.092 178 L CA 1.043 55.961 54.840 0.130 0.000 0.759 178 L CB -0.414 41.725 42.059 0.133 0.000 0.903 178 L HN 0.072 nan 8.230 nan 0.000 0.435 179 A N 0.205 123.123 122.820 0.163 0.000 1.902 179 A HA -0.212 4.111 4.320 0.005 0.000 0.217 179 A C 2.333 180.087 177.584 0.284 0.000 1.181 179 A CA 1.476 53.646 52.037 0.222 0.000 0.623 179 A CB -0.469 18.613 19.000 0.136 0.000 0.818 179 A HN 0.349 nan 8.150 nan 0.000 0.443 180 R N -0.629 119.987 120.500 0.193 0.000 2.285 180 R HA -0.012 4.332 4.340 0.005 0.000 0.213 180 R C 1.061 177.427 176.300 0.110 0.000 1.068 180 R CA 1.155 57.356 56.100 0.168 0.000 1.004 180 R CB -0.087 30.287 30.300 0.122 0.000 0.873 180 R HN 0.451 nan 8.270 nan 0.000 0.467 181 K N -0.277 120.179 120.400 0.093 0.000 2.374 181 K HA 0.133 4.457 4.320 0.005 0.000 0.202 181 K C 0.584 177.189 176.600 0.008 0.000 1.040 181 K CA -0.205 56.109 56.287 0.045 0.000 1.085 181 K CB 1.458 33.989 32.500 0.051 0.000 0.873 181 K HN 0.076 nan 8.250 nan 0.000 0.539 182 G N 0.892 109.691 108.800 -0.002 0.000 2.503 182 G HA2 0.035 3.998 3.960 0.005 0.000 0.257 182 G HA3 0.035 3.998 3.960 0.005 0.000 0.257 182 G C 0.206 174.951 174.900 -0.259 0.000 1.214 182 G CA -0.148 44.901 45.100 -0.085 0.000 0.839 182 G HN 0.014 nan 8.290 nan 0.000 0.559 183 K N -0.225 120.054 120.400 -0.201 0.000 2.462 183 K HA 0.124 4.448 4.320 0.005 0.000 0.201 183 K C 0.618 177.103 176.600 -0.191 0.000 1.268 183 K CA 0.039 56.199 56.287 -0.211 0.000 0.933 183 K CB 0.358 32.792 32.500 -0.109 0.000 1.162 183 K HN 0.412 nan 8.250 nan 0.000 0.527 184 K N 2.526 122.857 120.400 -0.115 0.000 2.265 184 K HA 0.145 4.468 4.320 0.005 0.000 0.267 184 K C -0.790 175.817 176.600 0.013 0.000 0.994 184 K CA -0.473 55.788 56.287 -0.044 0.000 0.860 184 K CB 0.941 33.437 32.500 -0.006 0.000 1.099 184 K HN -0.039 nan 8.250 nan 0.000 0.448 185 L N 6.887 128.143 121.223 0.054 0.000 2.407 185 L HA 0.158 4.501 4.340 0.005 0.000 0.282 185 L C -0.642 176.319 176.870 0.151 0.000 1.110 185 L CA 0.055 54.994 54.840 0.165 0.000 0.863 185 L CB 0.579 42.740 42.059 0.169 0.000 1.207 185 L HN 0.438 nan 8.230 nan 0.000 0.454 186 V N 4.544 124.554 119.914 0.159 0.000 2.775 186 V HA 0.042 4.165 4.120 0.005 0.000 0.299 186 V C 0.377 176.546 176.094 0.125 0.000 1.062 186 V CA -0.734 61.631 62.300 0.108 0.000 1.063 186 V CB 1.342 33.208 31.823 0.071 0.000 0.994 186 V HN 0.728 nan 8.190 nan 0.000 0.483 187 D N 3.200 123.635 120.400 0.058 0.000 2.371 187 D HA 0.455 5.098 4.640 0.005 0.000 0.256 187 D C -0.667 175.524 176.300 -0.182 0.000 1.193 187 D CA 0.270 54.273 54.000 0.005 0.000 0.881 187 D CB 0.264 41.073 40.800 0.015 0.000 1.143 187 D HN 0.419 nan 8.370 nan 0.000 0.473 188 L N 4.369 125.261 121.223 -0.551 0.000 2.376 188 L HA 0.493 4.836 4.340 0.005 0.000 0.258 188 L C -2.292 174.121 176.870 -0.763 0.000 1.013 188 L CA -2.333 52.082 54.840 -0.708 0.000 0.822 188 L CB 2.393 43.968 42.059 -0.807 0.000 1.388 188 L HN 0.317 nan 8.230 nan 0.000 0.413 189 P HA 0.085 nan 4.420 nan 0.000 0.273 189 P C -1.181 176.049 177.300 -0.118 0.000 1.428 189 P CA -0.045 62.938 63.100 -0.196 0.000 0.995 189 P CB -0.293 31.333 31.700 -0.124 0.000 1.286 190 Y N 3.708 123.976 120.300 -0.054 0.000 2.569 190 Y HA 0.200 4.753 4.550 0.005 0.000 0.332 190 Y C 0.447 176.356 175.900 0.014 0.000 1.120 190 Y CA 0.874 59.056 58.100 0.137 0.000 1.416 190 Y CB 0.418 39.062 38.460 0.305 0.000 1.210 190 Y HN 0.272 nan 8.280 nan 0.000 0.528 191 T N 3.619 118.088 114.554 -0.143 0.000 2.890 191 T HA 0.618 4.972 4.350 0.005 0.000 0.295 191 T C -1.208 173.423 174.700 -0.116 0.000 0.993 191 T CA -0.866 61.187 62.100 -0.080 0.000 0.979 191 T CB 0.825 69.623 68.868 -0.118 0.000 0.967 191 T HN 0.324 nan 8.240 nan 0.000 0.441 192 V N 3.957 123.887 119.914 0.026 0.000 2.483 192 V HA 0.512 4.635 4.120 0.005 0.000 0.297 192 V C -0.425 175.700 176.094 0.052 0.000 1.027 192 V CA -0.864 61.460 62.300 0.041 0.000 0.855 192 V CB 1.960 33.865 31.823 0.136 0.000 0.995 192 V HN 0.776 nan 8.190 nan 0.000 0.424 193 K N 4.043 124.467 120.400 0.042 0.000 2.432 193 K HA 0.525 4.848 4.320 0.005 0.000 0.226 193 K C 0.888 177.532 176.600 0.072 0.000 1.057 193 K CA 0.453 56.775 56.287 0.058 0.000 1.034 193 K CB 1.091 33.620 32.500 0.048 0.000 1.561 193 K HN 1.023 nan 8.250 nan 0.000 0.492 194 G N 2.781 111.632 108.800 0.086 0.000 2.889 194 G HA2 -0.375 3.588 3.960 0.005 0.000 0.308 194 G HA3 -0.375 3.588 3.960 0.005 0.000 0.308 194 G C 0.812 175.776 174.900 0.107 0.000 1.248 194 G CA 0.378 45.535 45.100 0.095 0.000 0.982 194 G HN 0.497 nan 8.290 nan 0.000 0.571 195 M N 1.268 120.937 119.600 0.114 0.000 2.367 195 M HA 0.205 4.689 4.480 0.005 0.000 0.256 195 M C -0.004 176.357 176.300 0.102 0.000 1.091 195 M CA 0.206 55.585 55.300 0.133 0.000 1.049 195 M CB 0.115 32.828 32.600 0.189 0.000 1.406 195 M HN 0.364 nan 8.290 nan 0.000 0.498 196 D N 0.584 121.031 120.400 0.078 0.000 2.432 196 D HA 0.536 5.179 4.640 0.005 0.000 0.258 196 D C -0.255 176.063 176.300 0.030 0.000 1.146 196 D CA -0.091 53.945 54.000 0.059 0.000 1.015 196 D CB 1.518 42.349 40.800 0.050 0.000 1.107 196 D HN 0.073 nan 8.370 nan 0.000 0.529 197 I N -0.494 120.088 120.570 0.019 0.000 2.892 197 I HA 0.659 4.832 4.170 0.005 0.000 0.306 197 I C -0.487 175.596 176.117 -0.057 0.000 1.078 197 I CA -1.214 60.041 61.300 -0.074 0.000 1.032 197 I CB 2.070 39.986 38.000 -0.140 0.000 1.229 197 I HN 0.222 nan 8.210 nan 0.000 0.435 198 A N 2.619 125.337 122.820 -0.170 0.000 2.355 198 A HA 0.779 5.102 4.320 0.005 0.000 0.317 198 A C -0.759 176.675 177.584 -0.251 0.000 1.094 198 A CA -0.273 51.709 52.037 -0.092 0.000 0.764 198 A CB 0.789 19.761 19.000 -0.048 0.000 1.230 198 A HN 0.715 nan 8.150 nan 0.000 0.448 199 F N 0.819 120.753 119.950 -0.026 0.000 2.667 199 F HA 0.021 4.552 4.527 0.006 0.000 0.288 199 F C 2.565 178.347 175.800 -0.031 0.000 1.086 199 F CA 1.193 59.173 58.000 -0.033 0.000 1.297 199 F CB 0.316 39.302 39.000 -0.022 0.000 1.059 199 F HN 0.581 nan 8.300 nan 0.000 0.624 200 S N -0.260 115.530 115.700 0.150 0.000 2.419 200 S HA -0.101 4.372 4.470 0.005 0.000 0.233 200 S C 2.266 176.890 174.600 0.040 0.000 1.016 200 S CA 1.194 59.445 58.200 0.086 0.000 0.974 200 S CB -1.183 62.059 63.200 0.069 0.000 0.786 200 S HN 0.336 nan 8.310 nan 0.000 0.492 201 G N 1.424 110.231 108.800 0.012 0.000 2.421 201 G HA2 -0.002 3.961 3.960 0.005 0.000 0.217 201 G HA3 -0.002 3.961 3.960 0.005 0.000 0.217 201 G C 1.310 176.183 174.900 -0.046 0.000 1.143 201 G CA 0.736 45.825 45.100 -0.018 0.000 0.784 201 G HN 0.494 nan 8.290 nan 0.000 0.541 202 L N -0.025 121.163 121.223 -0.058 0.000 2.179 202 L HA 0.309 4.653 4.340 0.005 0.000 0.208 202 L C 2.414 179.242 176.870 -0.070 0.000 1.096 202 L CA 1.035 55.820 54.840 -0.092 0.000 0.779 202 L CB -0.205 41.798 42.059 -0.094 0.000 0.922 202 L HN 0.181 nan 8.230 nan 0.000 0.443 203 L N -0.662 120.556 121.223 -0.008 0.000 2.044 203 L HA -0.100 4.244 4.340 0.005 0.000 0.205 203 L C 1.578 178.459 176.870 0.017 0.000 1.075 203 L CA 1.500 56.344 54.840 0.007 0.000 0.747 203 L CB -0.329 41.767 42.059 0.061 0.000 0.903 203 L HN 0.507 nan 8.230 nan 0.000 0.435 204 T N -3.063 111.504 114.554 0.022 0.000 3.473 204 T HA 0.367 4.720 4.350 0.005 0.000 0.247 204 T C 0.489 175.195 174.700 0.011 0.000 1.010 204 T CA 0.349 62.467 62.100 0.029 0.000 0.940 204 T CB 0.320 69.206 68.868 0.030 0.000 1.068 204 T HN 0.358 nan 8.240 nan 0.000 0.604 205 A N -0.630 122.182 122.820 -0.014 0.000 2.732 205 A HA 0.801 5.124 4.320 0.005 0.000 0.201 205 A C 1.786 179.336 177.584 -0.057 0.000 1.390 205 A CA 0.268 52.285 52.037 -0.034 0.000 1.064 205 A CB -0.332 18.629 19.000 -0.064 0.000 1.348 205 A HN 0.604 nan 8.150 nan 0.000 0.565 206 A N -0.524 122.242 122.820 -0.091 0.000 2.169 206 A HA 0.394 4.717 4.320 0.005 0.000 0.210 206 A C 1.790 179.387 177.584 0.021 0.000 1.168 206 A CA 0.964 52.901 52.037 -0.166 0.000 0.813 206 A CB -0.363 18.354 19.000 -0.472 0.000 0.861 206 A HN 0.388 nan 8.150 nan 0.000 0.481 207 M N -0.855 118.814 119.600 0.114 0.000 2.394 207 M HA 0.032 4.515 4.480 0.005 0.000 0.266 207 M C 1.872 178.305 176.300 0.222 0.000 1.098 207 M CA 0.590 56.039 55.300 0.248 0.000 1.149 207 M CB 0.152 32.867 32.600 0.192 0.000 1.369 207 M HN 0.195 nan 8.290 nan 0.000 0.450 208 R N -0.064 120.513 120.500 0.129 0.000 2.173 208 R HA 0.218 4.561 4.340 0.005 0.000 0.208 208 R C 1.876 178.228 176.300 0.087 0.000 1.035 208 R CA 1.099 57.256 56.100 0.095 0.000 1.004 208 R CB -1.002 29.330 30.300 0.053 0.000 0.917 208 R HN 0.263 nan 8.270 nan 0.000 0.462 209 A N -0.034 122.840 122.820 0.090 0.000 2.119 209 A HA -0.090 4.233 4.320 0.005 0.000 0.216 209 A C 1.756 179.425 177.584 0.141 0.000 1.152 209 A CA 0.461 52.545 52.037 0.078 0.000 0.708 209 A CB -0.375 18.650 19.000 0.041 0.000 0.805 209 A HN 0.314 nan 8.150 nan 0.000 0.460 210 Y N 0.279 120.629 120.300 0.084 0.000 2.347 210 Y HA -0.007 4.546 4.550 0.006 0.000 0.294 210 Y C 1.605 177.551 175.900 0.077 0.000 1.117 210 Y CA 1.450 59.621 58.100 0.118 0.000 1.184 210 Y CB 0.057 38.653 38.460 0.228 0.000 1.047 210 Y HN 0.325 nan 8.280 nan 0.000 0.546 211 D N -0.036 120.442 120.400 0.129 0.000 2.178 211 D HA -0.104 4.539 4.640 0.005 0.000 0.202 211 D C 2.186 178.470 176.300 -0.026 0.000 0.974 211 D CA 1.218 55.237 54.000 0.032 0.000 0.841 211 D CB -0.220 40.630 40.800 0.084 0.000 0.953 211 D HN 0.435 nan 8.370 nan 0.000 0.478 212 A N -0.649 122.167 122.820 -0.007 0.000 1.972 212 A HA 0.195 4.518 4.320 0.005 0.000 0.219 212 A C 2.002 179.553 177.584 -0.056 0.000 1.169 212 A CA 2.158 54.183 52.037 -0.019 0.000 0.635 212 A CB -0.223 18.777 19.000 -0.000 0.000 0.810 212 A HN 0.364 nan 8.150 nan 0.000 0.446 213 G N -2.259 106.479 108.800 -0.104 0.000 2.901 213 G HA2 -0.103 3.860 3.960 0.005 0.000 0.194 213 G HA3 -0.103 3.860 3.960 0.005 0.000 0.194 213 G C -0.025 174.787 174.900 -0.146 0.000 1.020 213 G CA 0.073 45.081 45.100 -0.153 0.000 0.787 213 G HN 0.302 nan 8.290 nan 0.000 0.477 214 E N 1.994 122.160 120.200 -0.056 0.000 2.604 214 E HA 0.034 4.387 4.350 0.005 0.000 0.267 214 E C 0.684 177.316 176.600 0.053 0.000 0.970 214 E CA 0.205 56.612 56.400 0.011 0.000 0.956 214 E CB 0.353 30.084 29.700 0.051 0.000 0.939 214 E HN 0.317 nan 8.360 nan 0.000 0.465 215 R N 2.829 123.368 120.500 0.066 0.000 2.697 215 R HA -0.069 4.274 4.340 0.005 0.000 0.265 215 R C 1.480 177.902 176.300 0.205 0.000 1.009 215 R CA 0.004 56.166 56.100 0.103 0.000 1.099 215 R CB 0.127 30.470 30.300 0.071 0.000 0.965 215 R HN 0.610 nan 8.270 nan 0.000 0.428 216 L N 2.016 123.390 121.223 0.252 0.000 2.093 216 L HA -0.183 4.160 4.340 0.005 0.000 0.208 216 L C 1.501 178.510 176.870 0.232 0.000 1.085 216 L CA 1.604 56.633 54.840 0.314 0.000 0.755 216 L CB 0.036 42.255 42.059 0.266 0.000 0.904 216 L HN 0.584 nan 8.230 nan 0.000 0.435 217 E N -0.213 120.085 120.200 0.164 0.000 2.152 217 E HA -0.192 4.161 4.350 0.005 0.000 0.192 217 E C 1.693 178.376 176.600 0.138 0.000 0.983 217 E CA 1.024 57.507 56.400 0.137 0.000 0.818 217 E CB -0.069 29.683 29.700 0.088 0.000 0.758 217 E HN 0.381 nan 8.360 nan 0.000 0.467 218 D N 0.157 120.628 120.400 0.119 0.000 2.097 218 D HA -0.112 4.532 4.640 0.005 0.000 0.195 218 D C 1.889 178.281 176.300 0.153 0.000 0.989 218 D CA 0.887 54.952 54.000 0.109 0.000 0.827 218 D CB -0.123 40.727 40.800 0.082 0.000 0.966 218 D HN 0.179 nan 8.370 nan 0.000 0.456 219 I N 0.314 120.979 120.570 0.159 0.000 2.094 219 I HA -0.271 3.902 4.170 0.005 0.000 0.234 219 I C 2.510 178.674 176.117 0.080 0.000 1.063 219 I CA 0.686 62.049 61.300 0.105 0.000 1.328 219 I CB -0.468 37.608 38.000 0.127 0.000 1.058 219 I HN 0.040 nan 8.210 nan 0.000 0.400 220 C N 0.111 119.506 119.300 0.159 0.000 2.392 220 C HA -0.269 4.194 4.460 0.005 0.000 0.276 220 C C 2.787 177.826 174.990 0.081 0.000 1.212 220 C CA 1.128 60.233 59.018 0.146 0.000 1.791 220 C CB -1.272 26.600 27.740 0.220 0.000 2.063 220 C HN 0.515 nan 8.230 nan 0.000 0.481 221 Y N 2.051 122.359 120.300 0.013 0.000 2.092 221 Y HA -0.183 4.370 4.550 0.005 0.000 0.282 221 Y C 2.658 178.537 175.900 -0.034 0.000 1.126 221 Y CA 2.256 60.349 58.100 -0.011 0.000 1.111 221 Y CB -0.481 37.989 38.460 0.016 0.000 0.987 221 Y HN 0.255 nan 8.280 nan 0.000 0.489 222 S N 0.963 116.777 115.700 0.190 0.000 2.402 222 S HA -0.150 4.323 4.470 0.005 0.000 0.229 222 S C 1.988 176.646 174.600 0.097 0.000 1.021 222 S CA 1.084 59.387 58.200 0.172 0.000 0.974 222 S CB -0.548 62.822 63.200 0.283 0.000 0.800 222 S HN 0.487 nan 8.310 nan 0.000 0.484 223 L N 1.567 122.767 121.223 -0.039 0.000 2.141 223 L HA -0.075 4.268 4.340 0.005 0.000 0.209 223 L C 2.056 178.804 176.870 -0.203 0.000 1.094 223 L CA 1.747 56.500 54.840 -0.145 0.000 0.763 223 L CB -0.700 41.174 42.059 -0.307 0.000 0.908 223 L HN 0.408 nan 8.230 nan 0.000 0.437 224 Q N -1.001 118.584 119.800 -0.358 0.000 2.163 224 Q HA -0.117 4.226 4.340 0.005 0.000 0.198 224 Q C 1.912 177.450 176.000 -0.769 0.000 0.954 224 Q CA 0.656 55.951 55.803 -0.848 0.000 0.851 224 Q CB 0.308 28.467 28.738 -0.966 0.000 0.928 224 Q HN 0.424 nan 8.270 nan 0.000 0.459 225 E N 0.252 120.195 120.200 -0.427 0.000 2.028 225 E HA -0.162 4.191 4.350 0.005 0.000 0.191 225 E C 1.782 178.322 176.600 -0.100 0.000 0.988 225 E CA 1.235 57.471 56.400 -0.274 0.000 0.799 225 E CB -0.348 29.162 29.700 -0.317 0.000 0.755 225 E HN 0.400 nan 8.360 nan 0.000 0.447 226 Y N 1.086 121.357 120.300 -0.049 0.000 2.181 226 Y HA -0.200 4.353 4.550 0.005 0.000 0.288 226 Y C 2.436 178.287 175.900 -0.082 0.000 1.146 226 Y CA 1.368 59.477 58.100 0.015 0.000 1.164 226 Y CB -0.535 37.921 38.460 -0.007 0.000 0.982 226 Y HN 0.053 nan 8.280 nan 0.000 0.515 227 A N -0.161 122.727 122.820 0.114 0.000 1.858 227 A HA -0.160 4.163 4.320 0.005 0.000 0.216 227 A C 1.917 179.773 177.584 0.455 0.000 1.190 227 A CA 1.686 53.897 52.037 0.289 0.000 0.617 227 A CB -1.073 18.137 19.000 0.350 0.000 0.827 227 A HN 0.396 nan 8.150 nan 0.000 0.443 228 F N 0.762 120.785 119.950 0.122 0.000 2.259 228 F HA -0.018 4.512 4.527 0.006 0.000 0.298 228 F C 2.757 178.618 175.800 0.102 0.000 1.088 228 F CA 0.716 58.775 58.000 0.097 0.000 1.358 228 F CB -1.217 37.812 39.000 0.049 0.000 1.040 228 F HN 0.154 nan 8.300 nan 0.000 0.505 229 S N 0.105 115.986 115.700 0.301 0.000 2.355 229 S HA -0.172 4.301 4.470 0.005 0.000 0.222 229 S C 2.140 176.886 174.600 0.244 0.000 1.031 229 S CA 1.015 59.414 58.200 0.332 0.000 0.993 229 S CB -0.375 63.038 63.200 0.356 0.000 0.859 229 S HN 0.282 nan 8.310 nan 0.000 0.453 230 M N 0.768 120.316 119.600 -0.087 0.000 2.195 230 M HA -0.145 4.338 4.480 0.005 0.000 0.260 230 M C 1.882 178.155 176.300 -0.046 0.000 1.066 230 M CA 1.335 56.432 55.300 -0.338 0.000 1.089 230 M CB -0.595 31.596 32.600 -0.682 0.000 1.377 230 M HN 0.282 nan 8.290 nan 0.000 0.411 231 L N -0.882 120.393 121.223 0.086 0.000 2.007 231 L HA -0.154 4.189 4.340 0.005 0.000 0.205 231 L C 2.482 179.393 176.870 0.068 0.000 1.073 231 L CA 1.497 56.410 54.840 0.122 0.000 0.744 231 L CB -0.851 41.307 42.059 0.164 0.000 0.898 231 L HN 0.249 nan 8.230 nan 0.000 0.435 232 T N -1.244 113.343 114.554 0.055 0.000 2.881 232 T HA -0.219 4.134 4.350 0.005 0.000 0.270 232 T C 1.567 176.238 174.700 -0.048 0.000 1.068 232 T CA 1.378 63.428 62.100 -0.084 0.000 1.131 232 T CB -0.211 68.502 68.868 -0.257 0.000 0.871 232 T HN 0.320 nan 8.240 nan 0.000 0.479 233 E N 2.173 122.453 120.200 0.133 0.000 2.038 233 E HA -0.180 4.173 4.350 0.005 0.000 0.195 233 E C 1.901 178.562 176.600 0.102 0.000 1.000 233 E CA 1.599 58.111 56.400 0.188 0.000 0.803 233 E CB -0.483 29.387 29.700 0.283 0.000 0.750 233 E HN 0.694 nan 8.360 nan 0.000 0.448 234 I N -1.603 119.015 120.570 0.080 0.000 3.578 234 I HA 0.158 4.331 4.170 0.005 0.000 0.295 234 I C 1.626 177.763 176.117 0.034 0.000 1.280 234 I CA 0.746 62.086 61.300 0.068 0.000 1.347 234 I CB -0.029 38.016 38.000 0.076 0.000 1.051 234 I HN -0.075 nan 8.210 nan 0.000 0.460 235 T N 0.027 114.587 114.554 0.009 0.000 2.896 235 T HA -0.064 4.289 4.350 0.005 0.000 0.263 235 T C 1.704 176.372 174.700 -0.053 0.000 1.050 235 T CA 1.505 63.593 62.100 -0.020 0.000 1.140 235 T CB -0.141 68.709 68.868 -0.030 0.000 0.877 235 T HN 0.533 nan 8.240 nan 0.000 0.457 236 E N 1.079 121.247 120.200 -0.054 0.000 2.051 236 E HA -0.015 4.339 4.350 0.005 0.000 0.189 236 E C 2.477 179.065 176.600 -0.021 0.000 0.979 236 E CA 0.430 56.802 56.400 -0.048 0.000 0.803 236 E CB 0.048 29.726 29.700 -0.037 0.000 0.761 236 E HN 0.228 nan 8.360 nan 0.000 0.451 237 R N -0.292 120.220 120.500 0.020 0.000 2.152 237 R HA -0.093 4.250 4.340 0.005 0.000 0.232 237 R C 1.999 178.292 176.300 -0.012 0.000 1.117 237 R CA 1.033 57.169 56.100 0.059 0.000 0.981 237 R CB -0.031 30.334 30.300 0.109 0.000 0.870 237 R HN 0.137 nan 8.270 nan 0.000 0.451 238 A N 0.316 123.074 122.820 -0.103 0.000 1.984 238 A HA -0.054 4.269 4.320 0.005 0.000 0.214 238 A C 1.904 179.232 177.584 -0.427 0.000 1.173 238 A CA 0.241 52.087 52.037 -0.317 0.000 0.673 238 A CB -0.202 18.700 19.000 -0.164 0.000 0.830 238 A HN 0.286 nan 8.150 nan 0.000 0.453 239 L N -0.033 121.052 121.223 -0.230 0.000 2.127 239 L HA -0.117 4.226 4.340 0.005 0.000 0.211 239 L C 2.452 179.208 176.870 -0.191 0.000 1.089 239 L CA 1.720 56.447 54.840 -0.190 0.000 0.757 239 L CB -0.559 41.441 42.059 -0.098 0.000 0.899 239 L HN 0.398 nan 8.230 nan 0.000 0.434 240 A N 0.082 122.808 122.820 -0.156 0.000 1.952 240 A HA -0.253 4.071 4.320 0.005 0.000 0.206 240 A C 1.347 178.884 177.584 -0.079 0.000 1.213 240 A CA 1.677 53.685 52.037 -0.049 0.000 0.690 240 A CB -1.390 17.677 19.000 0.111 0.000 0.854 240 A HN 0.710 nan 8.150 nan 0.000 0.485 241 H N 0.022 119.033 119.070 -0.099 0.000 3.332 241 H HA 0.277 4.836 4.556 0.006 0.000 0.235 241 H C 0.170 175.382 175.328 -0.194 0.000 1.633 241 H CA 0.884 56.878 56.048 -0.090 0.000 1.288 241 H CB -1.108 28.646 29.762 -0.013 0.000 1.547 241 H HN 0.437 nan 8.280 nan 0.000 0.622 242 T N -2.355 112.024 114.554 -0.292 0.000 3.048 242 T HA -0.008 4.345 4.350 0.005 0.000 0.254 242 T C 0.685 175.278 174.700 -0.177 0.000 0.942 242 T CA -0.188 61.700 62.100 -0.354 0.000 0.931 242 T CB 0.244 68.777 68.868 -0.559 0.000 1.220 242 T HN 0.357 nan 8.240 nan 0.000 0.503 243 N N 1.292 119.916 118.700 -0.127 0.000 2.776 243 N HA -0.105 4.638 4.740 0.005 0.000 0.249 243 N C -1.045 174.425 175.510 -0.067 0.000 1.111 243 N CA 0.569 53.575 53.050 -0.073 0.000 0.711 243 N CB -0.622 37.834 38.487 -0.051 0.000 1.065 243 N HN 0.384 nan 8.380 nan 0.000 0.556 244 K N -0.188 120.160 120.400 -0.086 0.000 2.183 244 K HA 0.476 4.799 4.320 0.005 0.000 0.274 244 K C 1.407 177.996 176.600 -0.019 0.000 1.009 244 K CA 0.117 56.373 56.287 -0.052 0.000 0.888 244 K CB 1.175 33.632 32.500 -0.071 0.000 1.078 244 K HN 0.202 nan 8.250 nan 0.000 0.459 245 G N 2.480 111.287 108.800 0.012 0.000 2.608 245 G HA2 -0.033 3.930 3.960 0.005 0.000 0.210 245 G HA3 -0.033 3.930 3.960 0.005 0.000 0.210 245 G C 0.096 175.040 174.900 0.073 0.000 1.139 245 G CA 0.021 45.142 45.100 0.034 0.000 0.812 245 G HN 0.547 nan 8.290 nan 0.000 0.529 246 E N -0.133 120.130 120.200 0.104 0.000 2.313 246 E HA 0.496 4.849 4.350 0.005 0.000 0.272 246 E C -1.141 175.552 176.600 0.155 0.000 1.038 246 E CA -0.483 56.030 56.400 0.187 0.000 0.863 246 E CB 2.610 32.456 29.700 0.244 0.000 1.060 246 E HN -0.075 nan 8.360 nan 0.000 0.402 247 V N 3.562 123.600 119.914 0.206 0.000 2.380 247 V HA 0.232 4.355 4.120 0.005 0.000 0.286 247 V C -0.359 175.810 176.094 0.125 0.000 1.015 247 V CA -0.512 61.903 62.300 0.191 0.000 0.834 247 V CB 1.037 33.014 31.823 0.258 0.000 1.009 247 V HN 0.696 nan 8.190 nan 0.000 0.428 248 M N 4.452 124.093 119.600 0.068 0.000 2.314 248 M HA 0.626 5.109 4.480 0.005 0.000 0.342 248 M C -1.074 175.216 176.300 -0.017 0.000 1.171 248 M CA -0.754 54.529 55.300 -0.027 0.000 1.098 248 M CB 1.607 34.200 32.600 -0.012 0.000 1.559 248 M HN 0.567 nan 8.290 nan 0.000 0.459 249 L N 5.701 126.877 121.223 -0.078 0.000 2.417 249 L HA 0.518 4.862 4.340 0.005 0.000 0.259 249 L C -1.448 175.435 176.870 0.022 0.000 1.023 249 L CA -0.261 54.583 54.840 0.007 0.000 0.901 249 L CB 1.243 43.335 42.059 0.055 0.000 1.227 249 L HN 0.535 nan 8.230 nan 0.000 0.454 250 V N 4.681 124.638 119.914 0.072 0.000 2.966 250 V HA 1.030 5.153 4.120 0.005 0.000 0.317 250 V C 0.349 176.573 176.094 0.217 0.000 1.070 250 V CA 0.561 62.937 62.300 0.128 0.000 1.008 250 V CB 1.594 33.474 31.823 0.095 0.000 1.070 250 V HN 1.065 nan 8.190 nan 0.000 0.457 251 G N 2.680 111.628 108.800 0.247 0.000 2.406 251 G HA2 0.257 4.220 3.960 0.005 0.000 0.680 251 G HA3 0.257 4.220 3.960 0.005 0.000 0.680 251 G C 0.380 175.342 174.900 0.104 0.000 1.338 251 G CA -0.078 45.128 45.100 0.175 0.000 0.941 251 G HN 1.432 nan 8.290 nan 0.000 0.633 252 G N -0.798 108.039 108.800 0.063 0.000 2.524 252 G HA2 0.207 4.170 3.960 0.005 0.000 0.215 252 G HA3 0.207 4.170 3.960 0.005 0.000 0.215 252 G C 1.964 176.857 174.900 -0.011 0.000 1.239 252 G CA 3.030 48.156 45.100 0.042 0.000 0.798 252 G HN 2.120 nan 8.290 nan 0.000 0.557 253 V N -1.144 118.737 119.914 -0.056 0.000 3.590 253 V HA 0.546 4.670 4.120 0.005 0.000 0.272 253 V C 2.008 178.049 176.094 -0.087 0.000 1.233 253 V CA 0.857 63.117 62.300 -0.067 0.000 1.182 253 V CB -0.557 31.218 31.823 -0.080 0.000 0.901 253 V HN 0.411 nan 8.190 nan 0.000 0.485 254 A N -0.258 122.523 122.820 -0.065 0.000 2.327 254 A HA 0.711 5.034 4.320 0.005 0.000 0.228 254 A C 2.019 179.585 177.584 -0.031 0.000 1.275 254 A CA 0.730 52.729 52.037 -0.062 0.000 0.875 254 A CB -0.296 18.693 19.000 -0.019 0.000 0.925 254 A HN 0.903 nan 8.150 nan 0.000 0.493 255 A N -0.195 122.609 122.820 -0.027 0.000 2.095 255 A HA 0.091 4.414 4.320 0.005 0.000 0.212 255 A C 1.110 178.690 177.584 -0.008 0.000 1.162 255 A CA -0.148 51.883 52.037 -0.010 0.000 0.753 255 A CB -0.280 18.713 19.000 -0.012 0.000 0.840 255 A HN 0.468 nan 8.150 nan 0.000 0.468 256 N N 1.584 120.271 118.700 -0.020 0.000 2.417 256 N HA -0.057 4.687 4.740 0.005 0.000 0.272 256 N C -0.147 175.375 175.510 0.020 0.000 1.304 256 N CA 0.092 53.152 53.050 0.018 0.000 0.906 256 N CB 0.259 38.778 38.487 0.053 0.000 1.135 256 N HN 0.229 nan 8.380 nan 0.000 0.483 257 N N 2.720 121.454 118.700 0.056 0.000 2.520 257 N HA -0.118 4.626 4.740 0.005 0.000 0.185 257 N C 1.400 176.958 175.510 0.080 0.000 1.068 257 N CA 0.467 53.552 53.050 0.058 0.000 0.911 257 N CB 0.032 38.553 38.487 0.056 0.000 0.961 257 N HN 0.544 nan 8.380 nan 0.000 0.446 258 R N 0.813 121.402 120.500 0.150 0.000 2.119 258 R HA 0.148 4.491 4.340 0.005 0.000 0.222 258 R C 1.902 178.324 176.300 0.203 0.000 1.088 258 R CA 0.617 56.852 56.100 0.226 0.000 0.984 258 R CB -0.560 29.939 30.300 0.332 0.000 0.884 258 R HN 0.224 nan 8.270 nan 0.000 0.447 259 L N -0.224 120.961 121.223 -0.062 0.000 2.313 259 L HA 0.080 4.424 4.340 0.005 0.000 0.214 259 L C 1.934 178.696 176.870 -0.180 0.000 1.119 259 L CA 0.984 55.535 54.840 -0.482 0.000 0.809 259 L CB -0.032 41.391 42.059 -1.059 0.000 0.933 259 L HN 0.114 nan 8.230 nan 0.000 0.449 260 R N -0.294 120.173 120.500 -0.054 0.000 2.119 260 R HA -0.130 4.213 4.340 0.005 0.000 0.222 260 R C 2.068 178.345 176.300 -0.039 0.000 1.088 260 R CA 1.405 57.537 56.100 0.052 0.000 0.984 260 R CB 0.004 30.366 30.300 0.104 0.000 0.884 260 R HN 0.575 nan 8.270 nan 0.000 0.447 261 E N 1.285 121.462 120.200 -0.038 0.000 2.033 261 E HA -0.200 4.153 4.350 0.005 0.000 0.189 261 E C 1.972 178.502 176.600 -0.118 0.000 0.979 261 E CA 1.174 57.533 56.400 -0.068 0.000 0.802 261 E CB -0.523 29.177 29.700 0.001 0.000 0.763 261 E HN 0.297 nan 8.360 nan 0.000 0.449 262 M N 0.139 119.714 119.600 -0.041 0.000 2.460 262 M HA 0.046 4.529 4.480 0.005 0.000 0.263 262 M C 1.607 177.799 176.300 -0.179 0.000 1.071 262 M CA 1.149 56.450 55.300 0.002 0.000 1.096 262 M CB 0.009 32.709 32.600 0.165 0.000 1.408 262 M HN 0.064 nan 8.290 nan 0.000 0.463 263 L N 0.756 121.804 121.223 -0.292 0.000 2.109 263 L HA -0.050 4.293 4.340 0.005 0.000 0.207 263 L C 2.683 179.030 176.870 -0.873 0.000 1.086 263 L CA 1.562 56.108 54.840 -0.490 0.000 0.760 263 L CB -1.099 40.757 42.059 -0.339 0.000 0.910 263 L HN 0.476 nan 8.230 nan 0.000 0.437 264 K N 0.464 120.289 120.400 -0.958 0.000 2.025 264 K HA -0.103 4.220 4.320 0.005 0.000 0.207 264 K C 1.997 178.375 176.600 -0.369 0.000 1.049 264 K CA 1.454 57.263 56.287 -0.796 0.000 0.933 264 K CB -0.018 32.200 32.500 -0.470 0.000 0.714 264 K HN 0.216 nan 8.250 nan 0.000 0.438 265 A N 1.738 124.422 122.820 -0.225 0.000 1.978 265 A HA -0.179 4.144 4.320 0.005 0.000 0.220 265 A C 2.180 179.737 177.584 -0.044 0.000 1.170 265 A CA 1.689 53.684 52.037 -0.071 0.000 0.636 265 A CB -0.448 18.572 19.000 0.033 0.000 0.810 265 A HN 0.391 nan 8.150 nan 0.000 0.448 266 M N 0.612 120.109 119.600 -0.172 0.000 2.073 266 M HA -0.146 4.337 4.480 0.005 0.000 0.259 266 M C 2.496 178.699 176.300 -0.161 0.000 1.079 266 M CA 2.550 57.705 55.300 -0.242 0.000 1.131 266 M CB -1.217 31.030 32.600 -0.589 0.000 1.316 266 M HN 0.723 nan 8.290 nan 0.000 0.415 267 C N 0.566 119.741 119.300 -0.208 0.000 2.419 267 C HA -0.051 4.412 4.460 0.005 0.000 0.283 267 C C 1.522 176.470 174.990 -0.071 0.000 1.373 267 C CA 0.667 59.618 59.018 -0.110 0.000 1.781 267 C CB -1.882 25.818 27.740 -0.067 0.000 1.886 267 C HN 0.624 nan 8.230 nan 0.000 0.520 268 E N 0.965 121.108 120.200 -0.095 0.000 2.232 268 E HA 0.385 4.738 4.350 0.005 0.000 0.296 268 E C 1.353 177.938 176.600 -0.026 0.000 1.372 268 E CA 0.242 56.611 56.400 -0.052 0.000 1.527 268 E CB -0.398 29.267 29.700 -0.058 0.000 1.424 268 E HN 0.616 nan 8.360 nan 0.000 0.485 269 G N 1.481 110.272 108.800 -0.016 0.000 2.777 269 G HA2 -0.060 3.904 3.960 0.005 0.000 0.211 269 G HA3 -0.060 3.904 3.960 0.005 0.000 0.211 269 G C 0.061 174.963 174.900 0.002 0.000 1.149 269 G CA 0.033 45.135 45.100 0.002 0.000 0.785 269 G HN 0.382 nan 8.290 nan 0.000 0.536 270 Q N -0.077 119.721 119.800 -0.002 0.000 2.353 270 Q HA 0.181 4.524 4.340 0.005 0.000 0.275 270 Q C -1.806 174.193 176.000 -0.002 0.000 1.029 270 Q CA -1.212 54.591 55.803 0.001 0.000 0.848 270 Q CB 0.555 29.296 28.738 0.005 0.000 1.390 270 Q HN -0.022 nan 8.270 nan 0.000 0.401 271 N N 1.658 120.357 118.700 -0.002 0.000 2.819 271 N HA 0.197 4.940 4.740 0.005 0.000 0.284 271 N C 0.317 175.827 175.510 -0.001 0.000 1.196 271 N CA 0.548 53.596 53.050 -0.004 0.000 1.114 271 N CB -0.055 38.430 38.487 -0.003 0.000 1.437 271 N HN 0.557 nan 8.380 nan 0.000 0.518 272 V N -1.517 118.396 119.914 -0.001 0.000 3.658 272 V HA 0.516 4.639 4.120 0.005 0.000 0.197 272 V C -0.276 175.813 176.094 -0.009 0.000 1.295 272 V CA 0.092 62.395 62.300 0.006 0.000 1.298 272 V CB 0.352 32.187 31.823 0.021 0.000 1.347 272 V HN 0.158 nan 8.190 nan 0.000 0.548 273 D N 0.143 120.540 120.400 -0.004 0.000 2.936 273 D HA 0.644 5.287 4.640 0.005 0.000 0.238 273 D C -2.083 174.227 176.300 0.017 0.000 1.248 273 D CA 0.142 54.125 54.000 -0.028 0.000 0.903 273 D CB 2.888 43.745 40.800 0.095 0.000 1.544 273 D HN 0.323 nan 8.370 nan 0.000 0.543 274 F N 2.324 122.044 119.950 -0.384 0.000 2.665 274 F HA 0.503 5.033 4.527 0.006 0.000 0.308 274 F C -2.229 173.226 175.800 -0.575 0.000 1.112 274 F CA -0.590 57.236 58.000 -0.289 0.000 0.972 274 F CB 1.297 40.186 39.000 -0.185 0.000 1.295 274 F HN 0.200 nan 8.300 nan 0.000 0.440 275 Y N 3.208 122.971 120.300 -0.895 0.000 2.553 275 Y HA 0.726 5.279 4.550 0.005 0.000 0.347 275 Y C -0.901 174.469 175.900 -0.883 0.000 1.019 275 Y CA -1.273 56.412 58.100 -0.692 0.000 1.032 275 Y CB 2.434 40.702 38.460 -0.319 0.000 1.284 275 Y HN 0.502 nan 8.280 nan 0.000 0.466 276 V N 0.463 120.182 119.914 -0.325 0.000 2.624 276 V HA 0.526 4.650 4.120 0.005 0.000 0.294 276 V C -3.055 173.001 176.094 -0.063 0.000 1.077 276 V CA -2.197 59.976 62.300 -0.211 0.000 0.905 276 V CB 1.286 33.006 31.823 -0.172 0.000 1.025 276 V HN 0.475 nan 8.190 nan 0.000 0.440 277 P HA 0.354 nan 4.420 nan 0.000 0.272 277 P C -2.469 174.862 177.300 0.052 0.000 1.223 277 P CA -0.857 62.251 63.100 0.014 0.000 0.784 277 P CB -0.091 31.630 31.700 0.034 0.000 0.923 278 P HA -0.009 nan 4.420 nan 0.000 0.270 278 P C 0.519 177.853 177.300 0.057 0.000 1.221 278 P CA 0.099 63.252 63.100 0.089 0.000 0.788 278 P CB 0.671 32.465 31.700 0.156 0.000 0.904 279 K N 0.693 121.087 120.400 -0.010 0.000 2.097 279 K HA -0.176 4.147 4.320 0.005 0.000 0.206 279 K C 1.968 178.483 176.600 -0.142 0.000 1.049 279 K CA 1.542 57.798 56.287 -0.052 0.000 0.933 279 K CB -0.460 32.003 32.500 -0.061 0.000 0.717 279 K HN 0.542 nan 8.250 nan 0.000 0.442 280 E N -0.927 119.110 120.200 -0.271 0.000 2.273 280 E HA -0.204 4.149 4.350 0.005 0.000 0.198 280 E C 0.564 176.598 176.600 -0.943 0.000 1.002 280 E CA 1.217 57.227 56.400 -0.651 0.000 0.828 280 E CB 0.086 29.260 29.700 -0.876 0.000 0.747 280 E HN 0.388 nan 8.360 nan 0.000 0.491 281 F N -2.754 117.148 119.950 -0.081 0.000 2.784 281 F HA 0.136 4.665 4.527 0.004 0.000 0.316 281 F C 2.075 177.838 175.800 -0.062 0.000 1.026 281 F CA -0.564 57.372 58.000 -0.107 0.000 1.188 281 F CB -0.184 38.733 39.000 -0.137 0.000 0.999 281 F HN 0.053 nan 8.300 nan 0.000 0.605 282 C N 1.108 120.487 119.300 0.132 0.000 2.393 282 C HA -0.009 4.454 4.460 0.005 0.000 0.276 282 C C 2.003 177.119 174.990 0.210 0.000 1.215 282 C CA 1.400 60.506 59.018 0.147 0.000 1.743 282 C CB -1.430 26.361 27.740 0.085 0.000 2.044 282 C HN 0.439 nan 8.230 nan 0.000 0.464 283 G N 0.860 109.729 108.800 0.115 0.000 2.442 283 G HA2 0.269 4.233 3.960 0.005 0.000 0.249 283 G HA3 0.269 4.233 3.960 0.005 0.000 0.249 283 G C -0.659 174.333 174.900 0.154 0.000 1.263 283 G CA -0.299 44.886 45.100 0.141 0.000 0.846 283 G HN 0.584 nan 8.290 nan 0.000 0.555 284 D N 0.934 121.504 120.400 0.283 0.000 2.455 284 D HA -0.040 4.603 4.640 0.005 0.000 0.265 284 D C 0.639 176.983 176.300 0.074 0.000 1.284 284 D CA 0.797 54.941 54.000 0.241 0.000 0.944 284 D CB 0.196 41.257 40.800 0.435 0.000 1.121 284 D HN 0.618 nan 8.370 nan 0.000 0.525 285 N N -0.658 118.020 118.700 -0.036 0.000 2.531 285 N HA 0.470 5.213 4.740 0.005 0.000 0.290 285 N C 1.128 176.640 175.510 0.003 0.000 1.257 285 N CA -1.062 51.962 53.050 -0.043 0.000 0.863 285 N CB 1.082 39.495 38.487 -0.123 0.000 1.320 285 N HN 0.043 nan 8.380 nan 0.000 0.538 286 G N -1.218 107.590 108.800 0.013 0.000 2.426 286 G HA2 -0.010 3.953 3.960 0.005 0.000 0.214 286 G HA3 -0.010 3.953 3.960 0.005 0.000 0.214 286 G C 1.252 176.193 174.900 0.067 0.000 1.156 286 G CA 0.501 45.642 45.100 0.069 0.000 0.802 286 G HN 0.706 nan 8.290 nan 0.000 0.534 287 A N 1.337 124.191 122.820 0.057 0.000 2.014 287 A HA 0.069 4.392 4.320 0.005 0.000 0.218 287 A C 2.375 180.031 177.584 0.120 0.000 1.163 287 A CA 1.754 53.855 52.037 0.108 0.000 0.652 287 A CB -0.424 18.669 19.000 0.156 0.000 0.808 287 A HN 0.561 nan 8.150 nan 0.000 0.449 288 M N 0.081 119.729 119.600 0.080 0.000 2.099 288 M HA -0.056 4.427 4.480 0.005 0.000 0.262 288 M C 1.883 178.186 176.300 0.005 0.000 1.067 288 M CA 2.044 57.356 55.300 0.020 0.000 1.124 288 M CB -0.750 31.782 32.600 -0.114 0.000 1.353 288 M HN 0.332 nan 8.290 nan 0.000 0.410 289 I N -0.304 120.253 120.570 -0.022 0.000 2.676 289 I HA 0.047 4.220 4.170 0.005 0.000 0.259 289 I C 2.395 178.494 176.117 -0.031 0.000 1.194 289 I CA 1.463 62.736 61.300 -0.046 0.000 1.473 289 I CB -1.803 36.184 38.000 -0.021 0.000 1.096 289 I HN 0.377 nan 8.210 nan 0.000 0.443 290 A N 1.537 124.374 122.820 0.028 0.000 1.972 290 A HA -0.210 4.113 4.320 0.005 0.000 0.219 290 A C 2.217 179.826 177.584 0.042 0.000 1.169 290 A CA 1.437 53.495 52.037 0.034 0.000 0.635 290 A CB -1.150 17.896 19.000 0.077 0.000 0.810 290 A HN 0.802 nan 8.150 nan 0.000 0.446 291 W N 0.050 121.278 121.300 -0.119 0.000 2.481 291 W HA -0.030 4.632 4.660 0.004 0.000 0.293 291 W C 1.649 178.043 176.519 -0.208 0.000 1.201 291 W CA 1.128 58.384 57.345 -0.148 0.000 1.328 291 W CB -0.213 29.151 29.460 -0.159 0.000 1.112 291 W HN 0.290 nan 8.180 nan 0.000 0.546 292 L N 1.518 122.609 121.223 -0.221 0.000 2.083 292 L HA -0.057 4.286 4.340 0.005 0.000 0.209 292 L C 2.259 178.807 176.870 -0.536 0.000 1.083 292 L CA 2.452 57.026 54.840 -0.443 0.000 0.752 292 L CB -1.582 40.277 42.059 -0.332 0.000 0.899 292 L HN 0.058 nan 8.230 nan 0.000 0.433 293 G N -0.283 108.295 108.800 -0.369 0.000 2.430 293 G HA2 -0.228 3.735 3.960 0.005 0.000 0.216 293 G HA3 -0.228 3.735 3.960 0.005 0.000 0.216 293 G C 1.531 176.247 174.900 -0.306 0.000 1.146 293 G CA 0.454 45.366 45.100 -0.313 0.000 0.793 293 G HN 0.327 nan 8.290 nan 0.000 0.537 294 L N 0.672 121.683 121.223 -0.355 0.000 2.013 294 L HA -0.003 4.340 4.340 0.005 0.000 0.212 294 L C 2.775 179.381 176.870 -0.439 0.000 1.073 294 L CA 1.396 56.012 54.840 -0.373 0.000 0.753 294 L CB -0.674 41.125 42.059 -0.434 0.000 0.890 294 L HN 0.208 nan 8.230 nan 0.000 0.432 295 L N -1.728 119.104 121.223 -0.651 0.000 2.012 295 L HA -0.303 4.040 4.340 0.005 0.000 0.210 295 L C 2.570 179.271 176.870 -0.281 0.000 1.073 295 L CA 1.907 56.430 54.840 -0.529 0.000 0.748 295 L CB -0.413 41.216 42.059 -0.717 0.000 0.891 295 L HN 0.300 nan 8.230 nan 0.000 0.431 296 M N -1.761 117.638 119.600 -0.334 0.000 2.117 296 M HA -0.237 4.247 4.480 0.005 0.000 0.262 296 M C 2.312 178.557 176.300 -0.092 0.000 1.065 296 M CA 1.487 56.682 55.300 -0.176 0.000 1.114 296 M CB -0.498 31.962 32.600 -0.234 0.000 1.361 296 M HN 0.274 nan 8.290 nan 0.000 0.408 297 H N 0.303 119.265 119.070 -0.180 0.000 2.512 297 H HA -0.001 4.559 4.556 0.006 0.000 0.279 297 H C 1.749 177.029 175.328 -0.080 0.000 0.999 297 H CA 0.912 56.876 56.048 -0.141 0.000 1.283 297 H CB 0.389 30.025 29.762 -0.209 0.000 1.421 297 H HN 0.195 nan 8.280 nan 0.000 0.554 298 K N 0.638 121.046 120.400 0.013 0.000 2.001 298 K HA -0.049 4.274 4.320 0.005 0.000 0.208 298 K C 1.603 178.205 176.600 0.004 0.000 1.048 298 K CA 0.665 56.955 56.287 0.005 0.000 0.932 298 K CB -0.179 32.293 32.500 -0.047 0.000 0.715 298 K HN 0.442 nan 8.250 nan 0.000 0.437 299 N N 0.097 118.798 118.700 0.002 0.000 2.494 299 N HA -0.041 4.702 4.740 0.005 0.000 0.182 299 N C 0.317 175.833 175.510 0.009 0.000 1.076 299 N CA 0.904 53.966 53.050 0.021 0.000 0.908 299 N CB 0.487 39.010 38.487 0.061 0.000 0.967 299 N HN 0.317 nan 8.380 nan 0.000 0.449 300 G N 1.384 110.166 108.800 -0.030 0.000 2.978 300 G HA2 -0.154 3.809 3.960 0.005 0.000 0.193 300 G HA3 -0.154 3.809 3.960 0.005 0.000 0.193 300 G C -0.639 174.233 174.900 -0.047 0.000 1.038 300 G CA -0.723 44.346 45.100 -0.053 0.000 1.103 300 G HN 0.234 nan 8.290 nan 0.000 0.574 301 R N -0.245 120.177 120.500 -0.130 0.000 2.513 301 R HA 0.599 4.943 4.340 0.005 0.000 0.301 301 R C -1.498 174.724 176.300 -0.130 0.000 0.968 301 R CA -1.118 54.945 56.100 -0.062 0.000 0.872 301 R CB 1.253 31.540 30.300 -0.021 0.000 1.177 301 R HN 0.322 nan 8.270 nan 0.000 0.444 302 W N 7.212 128.430 121.300 -0.137 0.000 2.481 302 W HA 0.298 4.961 4.660 0.006 0.000 0.285 302 W C -0.611 175.909 176.519 0.002 0.000 1.017 302 W CA -0.693 56.605 57.345 -0.079 0.000 1.499 302 W CB 1.289 30.689 29.460 -0.100 0.000 1.381 302 W HN 0.301 nan 8.180 nan 0.000 0.390 303 M N 3.805 123.548 119.600 0.238 0.000 2.227 303 M HA 0.077 4.561 4.480 0.005 0.000 0.349 303 M C 0.964 177.525 176.300 0.435 0.000 1.443 303 M CA 0.416 55.858 55.300 0.237 0.000 1.110 303 M CB 0.572 33.229 32.600 0.095 0.000 1.773 303 M HN 0.419 nan 8.290 nan 0.000 0.463 304 S N 3.328 119.286 115.700 0.429 0.000 2.593 304 S HA 0.203 4.676 4.470 0.005 0.000 0.269 304 S C 0.983 175.768 174.600 0.309 0.000 1.334 304 S CA -0.717 57.755 58.200 0.454 0.000 1.015 304 S CB 1.017 64.328 63.200 0.184 0.000 0.912 304 S HN 0.829 nan 8.310 nan 0.000 0.541 305 L N 0.722 122.123 121.223 0.297 0.000 2.201 305 L HA -0.039 4.304 4.340 0.005 0.000 0.212 305 L C 1.446 178.363 176.870 0.078 0.000 1.105 305 L CA 1.316 56.253 54.840 0.162 0.000 0.775 305 L CB -0.250 41.897 42.059 0.148 0.000 0.913 305 L HN 0.759 nan 8.230 nan 0.000 0.440 306 D N -0.535 119.909 120.400 0.073 0.000 2.349 306 D HA -0.082 4.561 4.640 0.005 0.000 0.215 306 D C 0.954 177.276 176.300 0.036 0.000 1.016 306 D CA 0.666 54.689 54.000 0.038 0.000 0.870 306 D CB 0.443 41.259 40.800 0.027 0.000 0.917 306 D HN 0.585 nan 8.370 nan 0.000 0.524 307 E N -0.681 119.554 120.200 0.059 0.000 2.715 307 E HA 0.002 4.355 4.350 0.005 0.000 0.224 307 E C 0.315 176.957 176.600 0.069 0.000 0.962 307 E CA -0.085 56.347 56.400 0.054 0.000 1.145 307 E CB -0.399 29.334 29.700 0.054 0.000 1.083 307 E HN -0.139 nan 8.360 nan 0.000 0.506 308 T N 1.006 115.613 114.554 0.089 0.000 4.096 308 T HA 0.003 4.356 4.350 0.005 0.000 0.241 308 T C 0.291 175.083 174.700 0.155 0.000 0.869 308 T CA -0.418 61.781 62.100 0.164 0.000 0.909 308 T CB -0.899 68.078 68.868 0.182 0.000 1.260 308 T HN 0.277 nan 8.240 nan 0.000 0.692 309 K N 1.446 121.896 120.400 0.083 0.000 2.298 309 K HA 0.361 4.684 4.320 0.005 0.000 0.280 309 K C 0.280 176.919 176.600 0.064 0.000 1.032 309 K CA -0.930 55.390 56.287 0.055 0.000 0.958 309 K CB 0.534 33.048 32.500 0.022 0.000 0.978 309 K HN 0.405 nan 8.250 nan 0.000 0.472 310 I N 0.166 120.784 120.570 0.081 0.000 2.692 310 I HA 0.145 4.318 4.170 0.005 0.000 0.284 310 I C -0.246 175.867 176.117 -0.007 0.000 1.159 310 I CA -0.118 61.222 61.300 0.066 0.000 1.423 310 I CB 0.046 38.101 38.000 0.091 0.000 1.380 310 I HN 0.504 nan 8.210 nan 0.000 0.580 311 I N 6.969 127.501 120.570 -0.064 0.000 2.412 311 I HA 0.293 4.466 4.170 0.005 0.000 0.279 311 I C -1.488 174.652 176.117 0.037 0.000 1.063 311 I CA -1.575 59.703 61.300 -0.038 0.000 1.193 311 I CB 0.920 38.842 38.000 -0.129 0.000 1.370 311 I HN 0.523 nan 8.210 nan 0.000 0.479 312 P HA -0.155 nan 4.420 nan 0.000 0.219 312 P C 0.107 177.450 177.300 0.071 0.000 1.146 312 P CA 1.342 64.473 63.100 0.050 0.000 0.808 312 P CB 0.084 31.806 31.700 0.038 0.000 0.779 313 N N -0.801 117.949 118.700 0.084 0.000 2.800 313 N HA 0.195 4.939 4.740 0.005 0.000 0.240 313 N C -1.270 174.338 175.510 0.163 0.000 1.096 313 N CA -0.434 52.674 53.050 0.096 0.000 0.877 313 N CB 0.133 38.656 38.487 0.060 0.000 1.138 313 N HN 0.075 nan 8.380 nan 0.000 0.509 314 Y N 2.131 122.437 120.300 0.010 0.000 2.805 314 Y HA 0.402 4.955 4.550 0.005 0.000 0.339 314 Y C -0.019 175.888 175.900 0.012 0.000 1.012 314 Y CA -1.118 56.986 58.100 0.007 0.000 1.262 314 Y CB 0.161 38.620 38.460 -0.001 0.000 1.100 314 Y HN 0.229 nan 8.280 nan 0.000 0.559 315 R N 0.677 121.094 120.500 -0.139 0.000 2.726 315 R HA 0.074 4.418 4.340 0.005 0.000 0.272 315 R C 1.615 177.721 176.300 -0.323 0.000 1.097 315 R CA 0.838 56.829 56.100 -0.181 0.000 1.198 315 R CB 0.701 30.935 30.300 -0.109 0.000 1.114 315 R HN 0.754 nan 8.270 nan 0.000 0.550 316 T N -2.616 111.823 114.554 -0.192 0.000 2.951 316 T HA -0.079 4.274 4.350 0.005 0.000 0.268 316 T C 0.834 175.479 174.700 -0.093 0.000 1.073 316 T CA 1.402 63.421 62.100 -0.135 0.000 1.134 316 T CB -0.147 68.708 68.868 -0.022 0.000 0.884 316 T HN 0.533 nan 8.240 nan 0.000 0.479 317 D N 1.185 121.513 120.400 -0.120 0.000 2.218 317 D HA 0.020 4.663 4.640 0.005 0.000 0.204 317 D C 1.537 177.781 176.300 -0.093 0.000 0.976 317 D CA 0.728 54.657 54.000 -0.117 0.000 0.853 317 D CB -0.214 40.489 40.800 -0.163 0.000 0.939 317 D HN 0.285 nan 8.370 nan 0.000 0.481 318 M N 0.731 120.259 119.600 -0.119 0.000 2.530 318 M HA 0.127 4.610 4.480 0.005 0.000 0.231 318 M C -0.471 175.795 176.300 -0.057 0.000 1.180 318 M CA 0.179 55.442 55.300 -0.061 0.000 0.985 318 M CB 0.291 32.886 32.600 -0.007 0.000 1.623 318 M HN -0.210 nan 8.290 nan 0.000 0.475 319 V N 1.628 121.496 119.914 -0.076 0.000 2.284 319 V HA 0.172 4.295 4.120 0.005 0.000 0.274 319 V C 0.178 176.366 176.094 0.156 0.000 1.023 319 V CA -1.069 61.266 62.300 0.059 0.000 0.808 319 V CB 0.549 32.390 31.823 0.030 0.000 1.035 319 V HN 0.422 nan 8.190 nan 0.000 0.445 320 E N 3.875 124.161 120.200 0.143 0.000 2.390 320 E HA 0.474 4.827 4.350 0.005 0.000 0.261 320 E C -0.050 176.618 176.600 0.112 0.000 1.076 320 E CA -0.659 55.798 56.400 0.095 0.000 0.905 320 E CB 1.597 31.337 29.700 0.068 0.000 0.984 320 E HN 0.493 nan 8.360 nan 0.000 0.427 321 V N 0.312 120.158 119.914 -0.114 0.000 2.716 321 V HA 0.385 4.508 4.120 0.005 0.000 0.304 321 V C 0.123 176.063 176.094 -0.256 0.000 1.053 321 V CA -0.210 61.766 62.300 -0.539 0.000 0.984 321 V CB 1.296 32.511 31.823 -1.014 0.000 1.021 321 V HN 0.995 nan 8.190 nan 0.000 0.467 322 N N 1.490 120.088 118.700 -0.170 0.000 2.011 322 N HA 0.034 4.777 4.740 0.005 0.000 0.228 322 N C 0.959 176.478 175.510 0.015 0.000 1.378 322 N CA 0.573 53.609 53.050 -0.023 0.000 0.852 322 N CB 0.218 38.761 38.487 0.094 0.000 1.111 322 N HN 0.849 nan 8.380 nan 0.000 0.497 323 W N 2.447 123.688 121.300 -0.098 0.000 2.704 323 W HA 0.450 5.113 4.660 0.006 0.000 0.266 323 W C 0.316 176.754 176.519 -0.135 0.000 1.266 323 W CA -0.264 57.012 57.345 -0.115 0.000 1.377 323 W CB 0.056 29.440 29.460 -0.127 0.000 1.082 323 W HN -0.063 nan 8.180 nan 0.000 0.608 343 A N 3.720 126.565 122.820 0.041 0.000 2.513 343 A HA 0.454 4.777 4.320 0.005 0.000 0.296 343 A C -1.382 176.222 177.584 0.034 0.000 1.052 343 A CA -0.783 51.273 52.037 0.031 0.000 0.714 343 A CB 1.239 20.254 19.000 0.026 0.000 1.279 343 A HN 0.615 nan 8.150 nan 0.000 0.397 344 D N 1.623 122.040 120.400 0.028 0.000 2.283 344 D HA 0.515 5.158 4.640 0.005 0.000 0.248 344 D C 0.109 176.427 176.300 0.030 0.000 1.072 344 D CA -0.166 53.851 54.000 0.029 0.000 0.929 344 D CB 1.264 42.078 40.800 0.023 0.000 1.182 344 D HN 0.739 nan 8.370 nan 0.000 0.433 345 I N -2.545 118.044 120.570 0.032 0.000 2.493 345 I HA 0.506 4.679 4.170 0.005 0.000 0.298 345 I C -0.345 175.783 176.117 0.018 0.000 0.998 345 I CA -0.979 60.342 61.300 0.034 0.000 1.137 345 I CB 2.025 40.056 38.000 0.052 0.000 1.310 345 I HN 0.155 nan 8.210 nan 0.000 0.445 346 K N 5.642 126.050 120.400 0.015 0.000 2.376 346 K HA 0.465 4.788 4.320 0.005 0.000 0.257 346 K C -0.917 175.674 176.600 -0.014 0.000 0.939 346 K CA -0.760 55.526 56.287 -0.002 0.000 0.809 346 K CB 1.610 34.114 32.500 0.007 0.000 1.121 346 K HN 0.760 nan 8.250 nan 0.000 0.425 347 R N 2.689 123.152 120.500 -0.062 0.000 2.298 347 R HA 0.120 4.463 4.340 0.005 0.000 0.310 347 R C -0.747 175.526 176.300 -0.045 0.000 1.068 347 R CA -0.033 56.002 56.100 -0.109 0.000 0.957 347 R CB 0.791 30.933 30.300 -0.264 0.000 1.003 347 R HN 0.674 nan 8.270 nan 0.000 0.454 348 D N 0.070 120.473 120.400 0.006 0.000 2.570 348 D HA 0.173 4.816 4.640 0.005 0.000 0.244 348 D C -1.471 174.880 176.300 0.086 0.000 1.178 348 D CA -0.336 53.690 54.000 0.043 0.000 0.881 348 D CB 2.113 42.951 40.800 0.064 0.000 1.453 348 D HN 0.239 nan 8.370 nan 0.000 0.447 349 S N 1.378 117.126 115.700 0.081 0.000 2.437 349 S HA 0.329 4.803 4.470 0.005 0.000 0.305 349 S C -0.438 174.241 174.600 0.132 0.000 1.109 349 S CA -0.565 57.691 58.200 0.095 0.000 1.099 349 S CB 0.346 63.560 63.200 0.023 0.000 1.004 349 S HN 0.517 nan 8.310 nan 0.000 0.475 350 Y N 4.749 125.062 120.300 0.023 0.000 2.788 350 Y HA 0.195 4.748 4.550 0.005 0.000 0.224 350 Y C 1.219 177.033 175.900 -0.142 0.000 0.961 350 Y CA 0.361 58.447 58.100 -0.024 0.000 1.023 350 Y CB -0.354 38.113 38.460 0.012 0.000 1.053 350 Y HN 0.622 nan 8.280 nan 0.000 0.465 351 L N 0.511 121.223 121.223 -0.851 0.000 2.121 351 L HA 0.032 4.375 4.340 0.005 0.000 0.200 351 L C 0.661 177.035 176.870 -0.827 0.000 1.132 351 L CA 2.013 56.243 54.840 -1.017 0.000 0.782 351 L CB -0.457 40.981 42.059 -1.035 0.000 0.940 351 L HN 0.511 nan 8.230 nan 0.000 0.458 352 D N -1.763 117.825 120.400 -1.353 0.000 2.720 352 D HA 0.208 4.851 4.640 0.005 0.000 0.285 352 D C -1.283 174.463 176.300 -0.924 0.000 1.359 352 D CA -0.114 53.294 54.000 -0.987 0.000 0.818 352 D CB 0.126 40.455 40.800 -0.786 0.000 1.108 352 D HN -0.001 nan 8.370 nan 0.000 0.474 353 F N 0.671 120.569 119.950 -0.087 0.000 2.556 353 F HA 0.336 4.866 4.527 0.005 0.000 0.314 353 F C 0.000 175.849 175.800 0.082 0.000 1.106 353 F CA -1.449 56.563 58.000 0.021 0.000 0.911 353 F CB 1.084 40.123 39.000 0.064 0.000 1.190 353 F HN -0.191 nan 8.300 nan 0.000 0.448 354 D N 2.846 123.420 120.400 0.290 0.000 2.343 354 D HA 0.369 5.012 4.640 0.005 0.000 0.255 354 D C -0.130 176.386 176.300 0.360 0.000 1.187 354 D CA -0.050 54.106 54.000 0.261 0.000 0.875 354 D CB 1.697 42.639 40.800 0.237 0.000 1.136 354 D HN 0.433 nan 8.370 nan 0.000 0.469 355 V N -1.021 119.079 119.914 0.310 0.000 3.155 355 V HA 0.774 4.897 4.120 0.005 0.000 0.313 355 V C -0.174 176.057 176.094 0.229 0.000 1.162 355 V CA -1.158 61.345 62.300 0.338 0.000 1.048 355 V CB 1.586 33.645 31.823 0.395 0.000 1.092 355 V HN 0.573 nan 8.190 nan 0.000 0.447 356 I N -0.342 120.358 120.570 0.216 0.000 2.957 356 I HA 0.847 5.020 4.170 0.005 0.000 0.310 356 I C -0.539 175.642 176.117 0.106 0.000 1.063 356 I CA -1.123 60.257 61.300 0.133 0.000 1.033 356 I CB 2.129 40.220 38.000 0.152 0.000 1.230 356 I HN 0.835 nan 8.210 nan 0.000 0.447 357 I N -0.191 120.421 120.570 0.069 0.000 2.468 357 I HA 0.535 4.708 4.170 0.005 0.000 0.285 357 I C -0.901 175.240 176.117 0.040 0.000 1.039 357 I CA -0.841 60.489 61.300 0.051 0.000 1.074 357 I CB 1.728 39.751 38.000 0.040 0.000 1.228 357 I HN 0.543 nan 8.210 nan 0.000 0.436 358 K N 4.611 125.033 120.400 0.037 0.000 2.183 358 K HA 0.201 4.525 4.320 0.005 0.000 0.272 358 K C -0.384 176.229 176.600 0.021 0.000 1.113 358 K CA -0.241 56.065 56.287 0.033 0.000 0.949 358 K CB 0.592 33.113 32.500 0.035 0.000 1.365 358 K HN 0.558 nan 8.250 nan 0.000 0.420 359 E N 2.979 123.190 120.200 0.019 0.000 2.104 359 E HA -0.011 4.342 4.350 0.005 0.000 0.278 359 E C -0.362 176.243 176.600 0.008 0.000 1.127 359 E CA -0.258 56.148 56.400 0.011 0.000 0.897 359 E CB 0.394 30.100 29.700 0.010 0.000 1.043 359 E HN 0.146 nan 8.360 nan 0.000 0.410 360 R N 4.012 124.513 120.500 0.002 0.000 3.206 360 R HA 0.055 4.399 4.340 0.005 0.000 0.209 360 R C -0.347 175.945 176.300 -0.012 0.000 1.632 360 R CA -0.206 55.891 56.100 -0.004 0.000 1.234 360 R CB -0.604 29.688 30.300 -0.013 0.000 1.270 360 R HN 0.384 nan 8.270 nan 0.000 0.665 361 V N 3.643 123.555 119.914 -0.004 0.000 2.681 361 V HA -0.133 3.990 4.120 0.005 0.000 0.306 361 V C 0.722 176.801 176.094 -0.025 0.000 1.077 361 V CA 0.196 62.492 62.300 -0.008 0.000 1.224 361 V CB 0.061 31.887 31.823 0.005 0.000 0.879 361 V HN 0.628 nan 8.190 nan 0.000 0.494 362 K N 6.965 127.343 120.400 -0.037 0.000 2.326 362 K HA 0.366 4.689 4.320 0.005 0.000 0.275 362 K C -0.667 175.888 176.600 -0.076 0.000 1.018 362 K CA -0.559 55.688 56.287 -0.067 0.000 0.962 362 K CB 0.743 33.204 32.500 -0.066 0.000 0.953 362 K HN 0.425 nan 8.250 nan 0.000 0.475 363 K N 2.593 122.905 120.400 -0.146 0.000 2.213 363 K HA 0.147 4.470 4.320 0.005 0.000 0.270 363 K C 0.906 177.357 176.600 -0.248 0.000 1.002 363 K CA -0.405 55.766 56.287 -0.193 0.000 0.868 363 K CB 1.735 34.016 32.500 -0.365 0.000 1.093 363 K HN 1.010 nan 8.250 nan 0.000 0.454 364 G N 1.825 110.561 108.800 -0.107 0.000 2.448 364 G HA2 -0.254 3.709 3.960 0.005 0.000 0.218 364 G HA3 -0.254 3.709 3.960 0.005 0.000 0.218 364 G C 1.242 176.105 174.900 -0.061 0.000 1.135 364 G CA 0.595 45.654 45.100 -0.068 0.000 0.784 364 G HN 0.728 nan 8.290 nan 0.000 0.543 365 Y N 1.940 122.223 120.300 -0.029 0.000 2.333 365 Y HA 0.128 4.681 4.550 0.005 0.000 0.290 365 Y C 1.457 177.344 175.900 -0.022 0.000 1.144 365 Y CA 0.149 58.229 58.100 -0.033 0.000 1.228 365 Y CB -0.366 38.068 38.460 -0.043 0.000 0.985 365 Y HN 0.230 nan 8.280 nan 0.000 0.542 366 R N 1.599 121.810 120.500 -0.480 0.000 2.598 366 R HA 0.235 4.578 4.340 0.005 0.000 0.279 366 R C -0.815 175.377 176.300 -0.181 0.000 0.984 366 R CA -0.581 55.327 56.100 -0.321 0.000 0.999 366 R CB 0.731 30.722 30.300 -0.515 0.000 1.114 366 R HN 0.144 nan 8.270 nan 0.000 0.493 367 D N 1.185 121.519 120.400 -0.110 0.000 2.648 367 D HA -0.161 4.482 4.640 0.005 0.000 0.229 367 D C 0.803 177.062 176.300 -0.069 0.000 1.119 367 D CA 0.668 54.639 54.000 -0.048 0.000 0.850 367 D CB 0.832 41.620 40.800 -0.020 0.000 1.169 367 D HN 0.748 nan 8.370 nan 0.000 0.489 368 E N 2.893 123.075 120.200 -0.029 0.000 2.118 368 E HA -0.254 4.099 4.350 0.005 0.000 0.195 368 E C 1.719 178.293 176.600 -0.044 0.000 0.992 368 E CA 0.896 57.271 56.400 -0.042 0.000 0.804 368 E CB 0.196 29.884 29.700 -0.019 0.000 0.741 368 E HN 0.499 nan 8.360 nan 0.000 0.458 369 R N -0.044 120.443 120.500 -0.022 0.000 2.090 369 R HA -0.056 4.287 4.340 0.005 0.000 0.228 369 R C 2.585 178.855 176.300 -0.051 0.000 1.110 369 R CA 1.004 57.092 56.100 -0.019 0.000 0.973 369 R CB -0.174 30.134 30.300 0.013 0.000 0.869 369 R HN 0.241 nan 8.270 nan 0.000 0.440 370 L N 0.657 121.823 121.223 -0.094 0.000 2.131 370 L HA -0.109 4.234 4.340 0.005 0.000 0.206 370 L C 1.837 178.585 176.870 -0.204 0.000 1.087 370 L CA 1.730 56.457 54.840 -0.188 0.000 0.767 370 L CB -0.299 41.561 42.059 -0.331 0.000 0.917 370 L HN 0.076 nan 8.230 nan 0.000 0.441 371 D N 0.254 120.542 120.400 -0.188 0.000 2.137 371 D HA -0.355 4.288 4.640 0.005 0.000 0.189 371 D C 1.988 178.193 176.300 -0.159 0.000 0.998 371 D CA 2.177 56.056 54.000 -0.202 0.000 0.839 371 D CB -0.111 40.578 40.800 -0.184 0.000 0.962 371 D HN 0.652 nan 8.370 nan 0.000 0.446 372 E N -0.102 120.031 120.200 -0.112 0.000 2.347 372 E HA -0.143 4.210 4.350 0.005 0.000 0.196 372 E C 1.836 178.390 176.600 -0.077 0.000 1.008 372 E CA 0.886 57.236 56.400 -0.083 0.000 0.852 372 E CB -0.584 29.081 29.700 -0.058 0.000 0.783 372 E HN 0.293 nan 8.360 nan 0.000 0.505 373 N N 0.785 119.434 118.700 -0.085 0.000 2.188 373 N HA -0.102 4.641 4.740 0.005 0.000 0.184 373 N C 1.686 177.150 175.510 -0.077 0.000 1.018 373 N CA 1.729 54.742 53.050 -0.062 0.000 0.858 373 N CB 0.027 38.488 38.487 -0.043 0.000 0.989 373 N HN 0.389 nan 8.380 nan 0.000 0.426 374 I N 1.164 121.648 120.570 -0.142 0.000 2.400 374 I HA -0.139 4.034 4.170 0.005 0.000 0.248 374 I C 2.342 178.389 176.117 -0.117 0.000 1.109 374 I CA 0.502 61.700 61.300 -0.170 0.000 1.425 374 I CB -0.301 37.491 38.000 -0.346 0.000 1.094 374 I HN 0.048 nan 8.210 nan 0.000 0.425 375 R N 1.875 122.310 120.500 -0.108 0.000 2.189 375 R HA -0.077 4.266 4.340 0.005 0.000 0.223 375 R C 1.824 178.099 176.300 -0.043 0.000 1.092 375 R CA 0.937 56.995 56.100 -0.070 0.000 0.989 375 R CB -0.534 29.726 30.300 -0.067 0.000 0.876 375 R HN 0.381 nan 8.270 nan 0.000 0.457 376 K N 0.965 121.340 120.400 -0.041 0.000 2.007 376 K HA -0.035 4.288 4.320 0.005 0.000 0.206 376 K C 2.343 178.934 176.600 -0.014 0.000 1.047 376 K CA 1.373 57.646 56.287 -0.023 0.000 0.937 376 K CB -0.173 32.315 32.500 -0.020 0.000 0.718 376 K HN 0.079 nan 8.250 nan 0.000 0.438 377 S N 0.869 116.557 115.700 -0.019 0.000 2.383 377 S HA -0.155 4.318 4.470 0.005 0.000 0.229 377 S C 1.948 176.549 174.600 0.003 0.000 1.030 377 S CA 1.364 59.561 58.200 -0.005 0.000 1.002 377 S CB -0.007 63.187 63.200 -0.009 0.000 0.829 377 S HN 0.218 nan 8.310 nan 0.000 0.467 378 R N -0.412 120.080 120.500 -0.013 0.000 2.127 378 R HA 0.064 4.407 4.340 0.005 0.000 0.217 378 R C 2.428 178.737 176.300 0.015 0.000 1.074 378 R CA 1.515 57.614 56.100 -0.003 0.000 0.991 378 R CB -0.576 29.713 30.300 -0.018 0.000 0.895 378 R HN 0.371 nan 8.270 nan 0.000 0.450 379 T N 0.949 115.508 114.554 0.008 0.000 2.788 379 T HA -0.111 4.242 4.350 0.005 0.000 0.268 379 T C 1.815 176.527 174.700 0.021 0.000 1.044 379 T CA 1.367 63.475 62.100 0.013 0.000 1.139 379 T CB -0.131 68.738 68.868 0.002 0.000 0.867 379 T HN 0.310 nan 8.240 nan 0.000 0.454 380 A N 0.804 123.638 122.820 0.023 0.000 2.216 380 A HA 0.054 4.377 4.320 0.005 0.000 0.214 380 A C 2.257 179.883 177.584 0.070 0.000 1.160 380 A CA 0.844 52.899 52.037 0.030 0.000 0.725 380 A CB -0.253 18.762 19.000 0.024 0.000 0.784 380 A HN 0.360 nan 8.150 nan 0.000 0.472 381 R N -2.036 118.526 120.500 0.103 0.000 2.310 381 R HA 0.103 4.446 4.340 0.005 0.000 0.199 381 R C 1.841 178.275 176.300 0.223 0.000 0.891 381 R CA 0.613 56.852 56.100 0.231 0.000 1.060 381 R CB 0.052 30.437 30.300 0.142 0.000 1.188 381 R HN 0.610 nan 8.270 nan 0.000 0.607 382 E N 1.100 121.367 120.200 0.112 0.000 2.153 382 E HA -0.141 4.212 4.350 0.005 0.000 0.194 382 E C 1.677 178.307 176.600 0.050 0.000 0.988 382 E CA 1.354 57.814 56.400 0.100 0.000 0.811 382 E CB 0.119 29.859 29.700 0.068 0.000 0.746 382 E HN 0.331 nan 8.360 nan 0.000 0.466 383 A N 0.822 123.656 122.820 0.024 0.000 1.840 383 A HA -0.084 4.240 4.320 0.005 0.000 0.214 383 A C 2.136 179.677 177.584 -0.072 0.000 1.198 383 A CA 1.243 53.263 52.037 -0.028 0.000 0.608 383 A CB -0.379 18.605 19.000 -0.028 0.000 0.839 383 A HN 0.120 nan 8.150 nan 0.000 0.443 384 R N -2.192 118.273 120.500 -0.058 0.000 2.193 384 R HA -0.123 4.220 4.340 0.005 0.000 0.229 384 R C 1.566 177.607 176.300 -0.432 0.000 1.110 384 R CA 1.617 57.592 56.100 -0.208 0.000 0.988 384 R CB -0.244 29.936 30.300 -0.201 0.000 0.871 384 R HN 0.746 nan 8.270 nan 0.000 0.458 385 Y N -0.850 119.264 120.300 -0.311 0.000 2.422 385 Y HA 0.089 4.642 4.550 0.005 0.000 0.291 385 Y C 1.898 177.428 175.900 -0.618 0.000 1.144 385 Y CA 0.111 57.852 58.100 -0.598 0.000 1.208 385 Y CB 0.024 37.867 38.460 -1.028 0.000 1.195 385 Y HN -0.130 nan 8.280 nan 0.000 0.535 386 L N -0.295 120.770 121.223 -0.263 0.000 2.447 386 L HA -0.209 4.134 4.340 0.005 0.000 0.225 386 L C 2.120 178.861 176.870 -0.216 0.000 1.148 386 L CA 1.014 55.751 54.840 -0.171 0.000 0.808 386 L CB -0.452 41.578 42.059 -0.050 0.000 0.928 386 L HN 0.301 nan 8.230 nan 0.000 0.448 387 A N -0.501 122.170 122.820 -0.247 0.000 1.909 387 A HA -0.016 4.307 4.320 0.005 0.000 0.209 387 A C 2.063 179.456 177.584 -0.319 0.000 1.247 387 A CA 0.061 51.948 52.037 -0.250 0.000 0.660 387 A CB -0.453 18.424 19.000 -0.205 0.000 0.910 387 A HN 0.217 nan 8.150 nan 0.000 0.465 388 L N 0.542 121.541 121.223 -0.373 0.000 2.261 388 L HA -0.087 4.256 4.340 0.005 0.000 0.216 388 L C 2.210 178.688 176.870 -0.654 0.000 1.114 388 L CA 1.585 56.163 54.840 -0.437 0.000 0.777 388 L CB -0.518 41.277 42.059 -0.440 0.000 0.910 388 L HN 0.247 nan 8.230 nan 0.000 0.440 389 V N 0.220 119.803 119.914 -0.553 0.000 2.515 389 V HA -0.286 3.837 4.120 0.005 0.000 0.250 389 V C 2.454 178.123 176.094 -0.708 0.000 1.058 389 V CA 1.722 63.676 62.300 -0.576 0.000 1.064 389 V CB -0.168 31.529 31.823 -0.211 0.000 0.675 389 V HN 0.445 nan 8.190 nan 0.000 0.461 390 K N -0.088 120.001 120.400 -0.517 0.000 2.147 390 K HA -0.138 4.186 4.320 0.005 0.000 0.205 390 K C 1.779 178.116 176.600 -0.439 0.000 1.049 390 K CA 1.437 57.483 56.287 -0.401 0.000 0.936 390 K CB -0.332 31.992 32.500 -0.293 0.000 0.722 390 K HN 0.419 nan 8.250 nan 0.000 0.446 391 D N 0.037 120.077 120.400 -0.601 0.000 2.265 391 D HA -0.139 4.504 4.640 0.005 0.000 0.208 391 D C 0.361 176.464 176.300 -0.329 0.000 0.977 391 D CA 0.992 54.721 54.000 -0.453 0.000 0.871 391 D CB 0.084 40.641 40.800 -0.405 0.000 0.925 391 D HN 0.333 nan 8.370 nan 0.000 0.485 392 F N -1.954 117.956 119.950 -0.068 0.000 2.908 392 F HA 0.514 5.045 4.527 0.005 0.000 0.328 392 F C 1.064 176.829 175.800 -0.059 0.000 1.211 392 F CA -1.028 56.940 58.000 -0.055 0.000 1.291 392 F CB -0.105 38.867 39.000 -0.046 0.000 0.962 392 F HN -0.167 nan 8.300 nan 0.000 0.505 393 G N 2.350 111.122 108.800 -0.047 0.000 2.367 393 G HA2 -0.273 3.690 3.960 0.005 0.000 0.295 393 G HA3 -0.273 3.690 3.960 0.005 0.000 0.295 393 G C -0.518 174.359 174.900 -0.038 0.000 1.019 393 G CA 0.426 45.497 45.100 -0.049 0.000 1.224 393 G HN 0.866 nan 8.290 nan 0.000 0.510 394 I N 0.779 121.291 120.570 -0.095 0.000 2.548 394 I HA 0.545 4.718 4.170 0.005 0.000 0.287 394 I C -2.358 173.623 176.117 -0.228 0.000 1.103 394 I CA -2.952 58.296 61.300 -0.086 0.000 1.049 394 I CB 2.663 40.706 38.000 0.072 0.000 1.232 394 I HN 0.025 nan 8.210 nan 0.000 0.429 395 P HA 0.326 nan 4.420 nan 0.000 0.267 395 P C -1.024 175.889 177.300 -0.645 0.000 1.205 395 P CA 0.045 62.642 63.100 -0.839 0.000 0.765 395 P CB 1.268 32.116 31.700 -1.420 0.000 0.828 396 A N 4.481 127.016 122.820 -0.475 0.000 2.604 396 A HA 0.682 5.006 4.320 0.005 0.000 0.295 396 A C -2.985 174.611 177.584 0.019 0.000 1.067 396 A CA -1.772 50.230 52.037 -0.059 0.000 0.683 396 A CB 0.757 19.707 19.000 -0.084 0.000 1.281 396 A HN 0.243 nan 8.150 nan 0.000 0.407 397 P HA 0.191 nan 4.420 nan 0.000 0.266 397 P C -1.041 176.096 177.300 -0.273 0.000 1.193 397 P CA 0.572 63.609 63.100 -0.103 0.000 0.770 397 P CB -0.016 31.655 31.700 -0.048 0.000 0.836 398 Y N 2.410 122.543 120.300 -0.278 0.000 2.465 398 Y HA 0.084 4.637 4.550 0.005 0.000 0.331 398 Y C 1.228 176.687 175.900 -0.736 0.000 1.102 398 Y CA -0.315 57.450 58.100 -0.559 0.000 1.358 398 Y CB -0.234 37.711 38.460 -0.859 0.000 1.213 398 Y HN 0.168 nan 8.280 nan 0.000 0.525 399 I N 1.441 121.779 120.570 -0.387 0.000 2.312 399 I HA 0.158 4.331 4.170 0.005 0.000 0.291 399 I C -0.449 175.476 176.117 -0.320 0.000 1.031 399 I CA -0.076 61.041 61.300 -0.304 0.000 1.293 399 I CB 0.072 37.983 38.000 -0.147 0.000 1.403 399 I HN 0.627 nan 8.210 nan 0.000 0.484 400 F N 3.195 123.123 119.950 -0.037 0.000 2.698 400 F HA 0.176 4.707 4.527 0.005 0.000 0.295 400 F C 0.608 176.312 175.800 -0.160 0.000 1.124 400 F CA 0.003 57.947 58.000 -0.092 0.000 1.426 400 F CB 0.481 39.400 39.000 -0.135 0.000 1.120 400 F HN 0.565 nan 8.300 nan 0.000 0.583 401 D N -0.388 120.016 120.400 0.007 0.000 2.937 401 D HA 0.394 5.037 4.640 0.005 0.000 0.215 401 D C -1.550 174.734 176.300 -0.027 0.000 1.274 401 D CA -0.284 53.693 54.000 -0.038 0.000 0.869 401 D CB 1.979 42.718 40.800 -0.102 0.000 1.675 401 D HN -0.236 nan 8.370 nan 0.000 0.538 402 V N 2.885 122.786 119.914 -0.022 0.000 2.448 402 V HA 0.560 4.683 4.120 0.005 0.000 0.295 402 V C -0.639 175.447 176.094 -0.013 0.000 1.025 402 V CA -0.687 61.602 62.300 -0.017 0.000 0.859 402 V CB 1.688 33.500 31.823 -0.019 0.000 0.988 402 V HN 0.628 nan 8.190 nan 0.000 0.431 403 D N 3.806 124.200 120.400 -0.010 0.000 2.443 403 D HA 0.327 4.970 4.640 0.005 0.000 0.281 403 D C 0.792 177.088 176.300 -0.007 0.000 1.210 403 D CA -0.395 53.600 54.000 -0.008 0.000 0.875 403 D CB 0.929 41.725 40.800 -0.008 0.000 1.125 403 D HN 0.220 nan 8.370 nan 0.000 0.503 404 L N 1.115 122.333 121.223 -0.007 0.000 2.353 404 L HA -0.051 4.292 4.340 0.005 0.000 0.220 404 L C 1.390 178.255 176.870 -0.009 0.000 1.133 404 L CA 1.164 55.999 54.840 -0.008 0.000 0.798 404 L CB -0.567 41.488 42.059 -0.006 0.000 0.922 404 L HN 0.380 nan 8.230 nan 0.000 0.445 405 D N 0.186 120.582 120.400 -0.007 0.000 2.144 405 D HA -0.126 4.517 4.640 0.005 0.000 0.200 405 D C 1.520 177.814 176.300 -0.009 0.000 0.978 405 D CA 1.010 55.005 54.000 -0.008 0.000 0.833 405 D CB 0.136 40.932 40.800 -0.005 0.000 0.961 405 D HN 0.338 nan 8.370 nan 0.000 0.470 406 N N -0.111 118.585 118.700 -0.008 0.000 2.220 406 N HA 0.059 4.802 4.740 0.005 0.000 0.195 406 N C -0.126 175.378 175.510 -0.009 0.000 1.123 406 N CA -0.016 53.029 53.050 -0.008 0.000 0.874 406 N CB 0.518 39.002 38.487 -0.004 0.000 0.995 406 N HN -0.039 nan 8.380 nan 0.000 0.498 407 K N 0.003 120.397 120.400 -0.010 0.000 3.129 407 K HA -0.234 4.089 4.320 0.005 0.000 0.273 407 K C -0.618 175.980 176.600 -0.004 0.000 1.123 407 K CA 0.555 56.836 56.287 -0.010 0.000 0.800 407 K CB -1.293 31.196 32.500 -0.017 0.000 1.238 407 K HN 0.487 nan 8.250 nan 0.000 0.492 408 R N 0.299 120.798 120.500 -0.002 0.000 2.732 408 R HA 0.761 5.105 4.340 0.005 0.000 0.278 408 R C -0.532 175.769 176.300 0.002 0.000 0.976 408 R CA -1.063 55.039 56.100 0.003 0.000 0.963 408 R CB 1.686 31.989 30.300 0.005 0.000 1.150 408 R HN 0.177 nan 8.270 nan 0.000 0.478 409 I N 2.429 123.004 120.570 0.008 0.000 2.571 409 I HA 0.274 4.447 4.170 0.005 0.000 0.289 409 I C -1.245 174.882 176.117 0.016 0.000 1.115 409 I CA -1.240 60.063 61.300 0.005 0.000 1.045 409 I CB 2.189 40.192 38.000 0.004 0.000 1.238 409 I HN 0.821 nan 8.210 nan 0.000 0.424 410 M N 9.722 129.329 119.600 0.011 0.000 2.077 410 M HA 0.470 4.953 4.480 0.005 0.000 0.348 410 M C -1.089 175.246 176.300 0.058 0.000 1.252 410 M CA -0.281 55.047 55.300 0.047 0.000 1.096 410 M CB 0.449 33.058 32.600 0.016 0.000 1.568 410 M HN 0.634 nan 8.290 nan 0.000 0.456 411 M N 3.457 123.102 119.600 0.076 0.000 2.530 411 M HA 0.590 5.073 4.480 0.005 0.000 0.307 411 M C -0.436 175.946 176.300 0.136 0.000 1.161 411 M CA -0.848 54.465 55.300 0.022 0.000 0.903 411 M CB 1.876 34.464 32.600 -0.020 0.000 1.711 411 M HN 0.594 nan 8.290 nan 0.000 0.451 412 S N 1.408 117.177 115.700 0.115 0.000 2.563 412 S HA -0.026 4.447 4.470 0.005 0.000 0.294 412 S C -0.584 174.135 174.600 0.199 0.000 1.279 412 S CA -0.275 58.084 58.200 0.265 0.000 1.069 412 S CB -0.243 63.113 63.200 0.260 0.000 0.828 412 S HN 0.681 nan 8.310 nan 0.000 0.497 413 Y N 4.366 124.746 120.300 0.133 0.000 2.624 413 Y HA 0.383 4.936 4.550 0.005 0.000 0.354 413 Y C -0.042 175.874 175.900 0.027 0.000 1.051 413 Y CA -1.230 56.915 58.100 0.074 0.000 1.377 413 Y CB -0.138 38.374 38.460 0.087 0.000 1.168 413 Y HN 0.743 nan 8.280 nan 0.000 0.525 414 I N 6.838 127.136 120.570 -0.452 0.000 2.371 414 I HA 0.163 4.337 4.170 0.005 0.000 0.290 414 I C 0.027 175.629 176.117 -0.859 0.000 1.028 414 I CA -0.304 60.650 61.300 -0.577 0.000 1.345 414 I CB 0.298 37.992 38.000 -0.510 0.000 1.407 414 I HN 0.617 nan 8.210 nan 0.000 0.501 415 N N 6.244 124.500 118.700 -0.739 0.000 2.427 415 N HA 0.052 4.795 4.740 0.005 0.000 0.269 415 N C 0.017 175.399 175.510 -0.213 0.000 1.235 415 N CA 0.190 52.903 53.050 -0.562 0.000 0.934 415 N CB 0.806 39.170 38.487 -0.205 0.000 1.121 415 N HN 0.847 nan 8.380 nan 0.000 0.480 416 G N 3.199 111.948 108.800 -0.086 0.000 2.202 416 G HA2 -0.039 3.924 3.960 0.005 0.000 0.251 416 G HA3 -0.039 3.924 3.960 0.005 0.000 0.251 416 G C 0.254 175.203 174.900 0.082 0.000 1.219 416 G CA 0.188 45.314 45.100 0.044 0.000 0.943 416 G HN 0.463 nan 8.290 nan 0.000 0.465 417 K N 3.716 124.181 120.400 0.108 0.000 3.200 417 K HA 0.117 4.440 4.320 0.005 0.000 0.179 417 K C 0.360 177.060 176.600 0.167 0.000 1.153 417 K CA -0.449 55.922 56.287 0.140 0.000 0.836 417 K CB 0.705 33.310 32.500 0.176 0.000 1.051 417 K HN 0.486 nan 8.250 nan 0.000 0.594 418 L N 1.300 122.613 121.223 0.150 0.000 2.615 418 L HA -0.146 4.197 4.340 0.005 0.000 0.284 418 L C 1.855 178.831 176.870 0.176 0.000 1.237 418 L CA 0.186 55.130 54.840 0.173 0.000 0.905 418 L CB 0.321 42.472 42.059 0.155 0.000 1.149 418 L HN 0.495 nan 8.230 nan 0.000 0.499 419 A N 4.523 127.475 122.820 0.218 0.000 1.948 419 A HA -0.229 4.094 4.320 0.005 0.000 0.220 419 A C 2.297 179.949 177.584 0.114 0.000 1.177 419 A CA 2.026 54.160 52.037 0.162 0.000 0.636 419 A CB -0.460 18.645 19.000 0.175 0.000 0.815 419 A HN 0.944 nan 8.150 nan 0.000 0.449 420 K N -0.227 120.278 120.400 0.174 0.000 2.034 420 K HA -0.292 4.031 4.320 0.005 0.000 0.214 420 K C 1.512 178.242 176.600 0.216 0.000 1.051 420 K CA 2.352 58.775 56.287 0.226 0.000 0.931 420 K CB -0.471 32.182 32.500 0.254 0.000 0.715 420 K HN 0.374 nan 8.250 nan 0.000 0.446 421 D N -0.140 120.354 120.400 0.157 0.000 2.277 421 D HA -0.085 4.558 4.640 0.005 0.000 0.208 421 D C 1.572 177.921 176.300 0.082 0.000 0.962 421 D CA 1.067 55.143 54.000 0.126 0.000 0.865 421 D CB 0.436 41.296 40.800 0.101 0.000 0.939 421 D HN 0.246 nan 8.370 nan 0.000 0.510 422 V N -1.687 118.255 119.914 0.045 0.000 3.578 422 V HA 0.244 4.368 4.120 0.005 0.000 0.290 422 V C 1.625 177.685 176.094 -0.056 0.000 1.376 422 V CA -0.176 62.112 62.300 -0.020 0.000 1.083 422 V CB 0.119 31.902 31.823 -0.066 0.000 0.911 422 V HN -0.009 nan 8.190 nan 0.000 0.433 423 I N 1.190 121.731 120.570 -0.048 0.000 2.761 423 I HA 0.068 4.241 4.170 0.005 0.000 0.261 423 I C 2.062 178.133 176.117 -0.078 0.000 1.198 423 I CA 1.310 62.552 61.300 -0.097 0.000 1.482 423 I CB -0.042 37.842 38.000 -0.194 0.000 1.100 423 I HN 0.332 nan 8.210 nan 0.000 0.445 424 E N 0.584 120.765 120.200 -0.031 0.000 1.999 424 E HA -0.181 4.172 4.350 0.005 0.000 0.194 424 E C 1.945 178.530 176.600 -0.024 0.000 0.995 424 E CA 1.802 58.198 56.400 -0.007 0.000 0.825 424 E CB -0.270 29.449 29.700 0.033 0.000 0.777 424 E HN 0.387 nan 8.360 nan 0.000 0.459 425 D N 0.199 120.583 120.400 -0.027 0.000 2.117 425 D HA -0.067 4.576 4.640 0.005 0.000 0.198 425 D C 0.123 176.387 176.300 -0.060 0.000 0.982 425 D CA 0.813 54.791 54.000 -0.037 0.000 0.828 425 D CB -0.231 40.549 40.800 -0.033 0.000 0.967 425 D HN 0.021 nan 8.370 nan 0.000 0.464 426 N N 1.259 119.907 118.700 -0.087 0.000 3.083 426 N HA 0.118 4.861 4.740 0.005 0.000 0.260 426 N C 0.896 176.345 175.510 -0.101 0.000 1.163 426 N CA -0.039 52.939 53.050 -0.120 0.000 1.060 426 N CB 0.565 38.925 38.487 -0.211 0.000 1.345 426 N HN 0.131 nan 8.380 nan 0.000 0.515 427 L N -0.127 121.053 121.223 -0.071 0.000 2.362 427 L HA -0.106 4.238 4.340 0.005 0.000 0.219 427 L C 1.322 178.168 176.870 -0.041 0.000 1.134 427 L CA 0.955 55.763 54.840 -0.054 0.000 0.807 427 L CB 0.165 42.198 42.059 -0.044 0.000 0.927 427 L HN 0.288 nan 8.230 nan 0.000 0.447 428 D N 0.284 120.652 120.400 -0.054 0.000 2.263 428 D HA -0.192 4.451 4.640 0.005 0.000 0.208 428 D C 2.047 178.353 176.300 0.010 0.000 0.971 428 D CA 0.969 54.946 54.000 -0.038 0.000 0.867 428 D CB 0.021 40.783 40.800 -0.064 0.000 0.929 428 D HN 0.357 nan 8.370 nan 0.000 0.492 429 I N 0.183 120.737 120.570 -0.026 0.000 2.394 429 I HA -0.218 3.955 4.170 0.005 0.000 0.251 429 I C 2.330 178.454 176.117 0.012 0.000 1.136 429 I CA 0.869 62.168 61.300 -0.003 0.000 1.425 429 I CB -0.116 37.843 38.000 -0.067 0.000 1.079 429 I HN -0.021 nan 8.210 nan 0.000 0.425 430 A N -0.144 122.686 122.820 0.017 0.000 2.076 430 A HA -0.277 4.046 4.320 0.005 0.000 0.220 430 A C 2.192 179.794 177.584 0.030 0.000 1.160 430 A CA 1.402 53.464 52.037 0.042 0.000 0.653 430 A CB -0.863 18.174 19.000 0.062 0.000 0.801 430 A HN 0.531 nan 8.150 nan 0.000 0.455 431 Y N 0.251 120.500 120.300 -0.085 0.000 2.133 431 Y HA -0.149 4.404 4.550 0.005 0.000 0.287 431 Y C 2.409 178.214 175.900 -0.159 0.000 1.134 431 Y CA 2.281 60.308 58.100 -0.121 0.000 1.133 431 Y CB -0.127 38.277 38.460 -0.093 0.000 0.987 431 Y HN 0.189 nan 8.280 nan 0.000 0.502 432 K N 0.352 120.737 120.400 -0.025 0.000 2.155 432 K HA -0.110 4.213 4.320 0.005 0.000 0.203 432 K C 1.981 178.451 176.600 -0.216 0.000 1.052 432 K CA 1.408 57.631 56.287 -0.107 0.000 0.948 432 K CB -0.331 32.192 32.500 0.039 0.000 0.728 432 K HN 0.440 nan 8.250 nan 0.000 0.448 433 I N 0.305 120.714 120.570 -0.269 0.000 2.208 433 I HA -0.217 3.956 4.170 0.005 0.000 0.245 433 I C 2.430 178.275 176.117 -0.454 0.000 1.097 433 I CA 1.428 62.460 61.300 -0.446 0.000 1.363 433 I CB -0.621 37.021 38.000 -0.598 0.000 1.051 433 I HN 0.253 nan 8.210 nan 0.000 0.413 434 G N 0.305 108.723 108.800 -0.636 0.000 2.421 434 G HA2 -0.218 3.746 3.960 0.005 0.000 0.216 434 G HA3 -0.218 3.746 3.960 0.005 0.000 0.216 434 G C 1.514 176.012 174.900 -0.670 0.000 1.171 434 G CA 0.580 44.964 45.100 -1.193 0.000 0.775 434 G HN 0.397 nan 8.290 nan 0.000 0.543 435 E N 0.301 120.175 120.200 -0.544 0.000 2.023 435 E HA -0.174 4.179 4.350 0.005 0.000 0.196 435 E C 2.560 179.018 176.600 -0.237 0.000 1.003 435 E CA 1.455 57.611 56.400 -0.406 0.000 0.809 435 E CB -0.316 29.168 29.700 -0.360 0.000 0.755 435 E HN 0.707 nan 8.360 nan 0.000 0.449 436 I N -1.557 118.925 120.570 -0.147 0.000 2.756 436 I HA -0.124 4.049 4.170 0.005 0.000 0.262 436 I C 2.076 178.233 176.117 0.068 0.000 1.225 436 I CA 0.606 61.903 61.300 -0.005 0.000 1.472 436 I CB -0.131 37.914 38.000 0.074 0.000 1.094 436 I HN -0.118 nan 8.210 nan 0.000 0.454 437 V N 2.355 122.289 119.914 0.032 0.000 2.453 437 V HA -0.085 4.038 4.120 0.005 0.000 0.247 437 V C 2.819 179.007 176.094 0.156 0.000 1.048 437 V CA 2.035 64.436 62.300 0.168 0.000 1.049 437 V CB -1.166 30.756 31.823 0.165 0.000 0.672 437 V HN 0.637 nan 8.190 nan 0.000 0.457 438 G N 0.185 108.924 108.800 -0.103 0.000 2.448 438 G HA2 -0.190 3.773 3.960 0.005 0.000 0.219 438 G HA3 -0.190 3.773 3.960 0.005 0.000 0.219 438 G C 1.597 176.344 174.900 -0.255 0.000 1.127 438 G CA 0.507 45.355 45.100 -0.420 0.000 0.766 438 G HN 0.453 nan 8.290 nan 0.000 0.552 439 K N 0.404 120.715 120.400 -0.148 0.000 2.026 439 K HA 0.006 4.329 4.320 0.005 0.000 0.208 439 K C 2.483 178.888 176.600 -0.325 0.000 1.048 439 K CA 0.751 56.941 56.287 -0.163 0.000 0.929 439 K CB -0.666 31.838 32.500 0.007 0.000 0.713 439 K HN 0.338 nan 8.250 nan 0.000 0.439 440 L N 0.411 121.550 121.223 -0.141 0.000 2.046 440 L HA -0.182 4.162 4.340 0.005 0.000 0.208 440 L C 2.398 179.130 176.870 -0.229 0.000 1.077 440 L CA 1.429 56.184 54.840 -0.141 0.000 0.747 440 L CB -0.680 41.496 42.059 0.194 0.000 0.896 440 L HN 0.215 nan 8.230 nan 0.000 0.432 441 H N -0.666 118.213 119.070 -0.319 0.000 2.495 441 H HA -0.095 4.464 4.556 0.005 0.000 0.287 441 H C 2.152 176.908 175.328 -0.954 0.000 1.033 441 H CA 0.930 56.678 56.048 -0.500 0.000 1.307 441 H CB 0.036 29.561 29.762 -0.396 0.000 1.401 441 H HN 0.188 nan 8.280 nan 0.000 0.555 442 K N 0.382 120.310 120.400 -0.787 0.000 2.103 442 K HA -0.059 4.265 4.320 0.005 0.000 0.204 442 K C 0.827 177.235 176.600 -0.321 0.000 1.052 442 K CA 0.975 56.947 56.287 -0.524 0.000 0.945 442 K CB 0.225 32.579 32.500 -0.244 0.000 0.722 442 K HN 0.287 nan 8.250 nan 0.000 0.443 443 N N 1.038 119.487 118.700 -0.418 0.000 2.270 443 N HA -0.041 4.702 4.740 0.005 0.000 0.198 443 N C -0.668 174.707 175.510 -0.224 0.000 1.117 443 N CA 0.373 53.200 53.050 -0.372 0.000 0.845 443 N CB 0.593 38.623 38.487 -0.761 0.000 0.980 443 N HN 0.149 nan 8.380 nan 0.000 0.486 444 D N -0.104 120.172 120.400 -0.207 0.000 3.079 444 D HA -0.131 4.512 4.640 0.005 0.000 0.214 444 D C -0.544 175.712 176.300 -0.073 0.000 1.145 444 D CA 0.506 54.433 54.000 -0.122 0.000 0.958 444 D CB -1.253 39.515 40.800 -0.052 0.000 1.117 444 D HN 0.014 nan 8.370 nan 0.000 0.416 445 V N 1.850 121.715 119.914 -0.080 0.000 2.408 445 V HA 0.330 4.453 4.120 0.005 0.000 0.267 445 V C 0.824 176.944 176.094 0.043 0.000 1.047 445 V CA -0.347 62.005 62.300 0.087 0.000 0.937 445 V CB 1.701 33.652 31.823 0.213 0.000 0.999 445 V HN 0.174 nan 8.190 nan 0.000 0.472 446 I N 5.029 125.630 120.570 0.052 0.000 2.437 446 I HA 0.405 4.578 4.170 0.005 0.000 0.279 446 I C 0.188 176.344 176.117 0.064 0.000 1.028 446 I CA -0.593 60.701 61.300 -0.010 0.000 1.142 446 I CB 0.558 38.501 38.000 -0.096 0.000 1.266 446 I HN 0.674 nan 8.210 nan 0.000 0.461 447 H N 7.046 126.092 119.070 -0.040 0.000 2.852 447 H HA 0.157 4.716 4.556 0.005 0.000 0.362 447 H C -0.112 175.132 175.328 -0.140 0.000 1.122 447 H CA 0.823 56.686 56.048 -0.307 0.000 1.419 447 H CB 1.083 30.509 29.762 -0.561 0.000 1.401 447 H HN 0.613 nan 8.280 nan 0.000 0.609 448 N N 1.723 120.573 118.700 0.250 0.000 2.159 448 N HA -0.037 4.706 4.740 0.005 0.000 0.217 448 N C -0.577 175.021 175.510 0.147 0.000 1.223 448 N CA 0.118 53.257 53.050 0.149 0.000 0.896 448 N CB 0.948 39.479 38.487 0.074 0.000 1.064 448 N HN 0.482 nan 8.380 nan 0.000 0.518 449 D N 1.042 121.550 120.400 0.179 0.000 2.772 449 D HA 0.223 4.866 4.640 0.005 0.000 0.326 449 D C -0.752 175.389 176.300 -0.264 0.000 1.207 449 D CA -0.198 53.816 54.000 0.022 0.000 0.777 449 D CB 0.018 40.895 40.800 0.129 0.000 1.169 449 D HN -0.005 nan 8.370 nan 0.000 0.506 450 L N 1.336 122.442 121.223 -0.196 0.000 2.325 450 L HA 0.377 4.720 4.340 0.005 0.000 0.284 450 L C 0.593 177.624 176.870 0.267 0.000 1.089 450 L CA 0.142 54.908 54.840 -0.124 0.000 0.836 450 L CB 1.223 43.248 42.059 -0.056 0.000 1.184 450 L HN 0.117 nan 8.230 nan 0.000 0.444 451 T N -0.418 114.307 114.554 0.284 0.000 2.883 451 T HA 0.227 4.580 4.350 0.005 0.000 0.301 451 T C 1.002 176.029 174.700 0.545 0.000 1.158 451 T CA -0.061 62.297 62.100 0.430 0.000 1.007 451 T CB 1.652 70.633 68.868 0.188 0.000 1.186 451 T HN 0.674 nan 8.240 nan 0.000 0.499 452 T N 0.054 114.929 114.554 0.534 0.000 3.051 452 T HA -0.031 4.323 4.350 0.005 0.000 0.269 452 T C 1.771 176.694 174.700 0.371 0.000 1.127 452 T CA 1.334 63.704 62.100 0.451 0.000 1.107 452 T CB -0.455 68.598 68.868 0.308 0.000 0.898 452 T HN 0.609 nan 8.240 nan 0.000 0.517 453 S N 0.651 116.516 115.700 0.276 0.000 2.593 453 S HA 0.166 4.639 4.470 0.005 0.000 0.217 453 S C 1.466 176.159 174.600 0.154 0.000 0.966 453 S CA -0.256 58.059 58.200 0.192 0.000 0.914 453 S CB -0.411 62.858 63.200 0.116 0.000 0.776 453 S HN 0.348 nan 8.310 nan 0.000 0.523 454 N N 0.598 119.390 118.700 0.154 0.000 2.412 454 N HA 0.330 5.074 4.740 0.005 0.000 0.184 454 N C -0.924 174.401 175.510 -0.309 0.000 1.101 454 N CA 0.222 53.205 53.050 -0.112 0.000 0.881 454 N CB 0.006 38.304 38.487 -0.314 0.000 0.969 454 N HN 0.416 nan 8.380 nan 0.000 0.459 455 F N -0.188 119.817 119.950 0.093 0.000 2.561 455 F HA 0.526 5.056 4.527 0.005 0.000 0.321 455 F C 0.225 176.104 175.800 0.132 0.000 1.065 455 F CA -1.455 56.613 58.000 0.114 0.000 0.934 455 F CB 1.087 40.151 39.000 0.107 0.000 1.215 455 F HN -0.262 nan 8.300 nan 0.000 0.471 456 I N -0.732 120.033 120.570 0.325 0.000 3.445 456 I HA 0.701 4.874 4.170 0.005 0.000 0.303 456 I C -1.703 174.607 176.117 0.322 0.000 1.129 456 I CA -1.549 59.905 61.300 0.256 0.000 0.989 456 I CB 1.819 39.896 38.000 0.129 0.000 1.314 456 I HN 0.430 nan 8.210 nan 0.000 0.488 457 F N 0.793 120.795 119.950 0.087 0.000 2.612 457 F HA 0.478 5.009 4.527 0.005 0.000 0.332 457 F C -0.278 175.535 175.800 0.023 0.000 1.167 457 F CA -0.221 57.825 58.000 0.077 0.000 0.970 457 F CB 1.463 40.506 39.000 0.072 0.000 1.234 457 F HN 0.590 nan 8.300 nan 0.000 0.453 458 D N 2.093 122.284 120.400 -0.348 0.000 2.725 458 D HA 0.183 4.826 4.640 0.005 0.000 0.269 458 D C 1.375 177.375 176.300 -0.501 0.000 1.018 458 D CA 0.731 54.549 54.000 -0.303 0.000 0.956 458 D CB 0.612 41.242 40.800 -0.282 0.000 1.141 458 D HN 0.303 nan 8.370 nan 0.000 0.478 459 K N -0.682 119.315 120.400 -0.672 0.000 2.770 459 K HA 0.190 4.513 4.320 0.005 0.000 0.195 459 K C -0.336 175.861 176.600 -0.672 0.000 1.515 459 K CA 0.271 56.182 56.287 -0.627 0.000 1.199 459 K CB 0.930 33.310 32.500 -0.200 0.000 1.681 459 K HN 0.006 nan 8.250 nan 0.000 0.586 460 D N 0.133 120.341 120.400 -0.321 0.000 2.560 460 D HA 0.356 4.999 4.640 0.005 0.000 0.277 460 D C -0.363 175.941 176.300 0.008 0.000 1.194 460 D CA -0.413 53.528 54.000 -0.099 0.000 1.092 460 D CB 1.003 41.788 40.800 -0.024 0.000 1.169 460 D HN -0.161 nan 8.370 nan 0.000 0.607 461 L N 1.276 122.574 121.223 0.125 0.000 2.426 461 L HA 0.296 4.639 4.340 0.005 0.000 0.255 461 L C -0.931 176.099 176.870 0.267 0.000 1.080 461 L CA -0.492 54.505 54.840 0.262 0.000 0.960 461 L CB -0.002 42.202 42.059 0.242 0.000 1.326 461 L HN 0.233 nan 8.230 nan 0.000 0.441 462 Y N 2.572 122.932 120.300 0.099 0.000 2.465 462 Y HA 0.178 4.732 4.550 0.005 0.000 0.331 462 Y C 0.544 176.475 175.900 0.051 0.000 1.102 462 Y CA -0.661 57.464 58.100 0.042 0.000 1.358 462 Y CB 0.615 39.048 38.460 -0.044 0.000 1.213 462 Y HN 0.341 nan 8.280 nan 0.000 0.525 463 I N 4.855 125.468 120.570 0.072 0.000 2.379 463 I HA 0.052 4.225 4.170 0.005 0.000 0.290 463 I C 0.817 176.918 176.117 -0.026 0.000 1.063 463 I CA 0.145 61.335 61.300 -0.185 0.000 1.351 463 I CB 0.175 38.049 38.000 -0.210 0.000 1.410 463 I HN 0.541 nan 8.210 nan 0.000 0.505 464 I N 0.625 121.168 120.570 -0.045 0.000 3.806 464 I HA 0.458 4.631 4.170 0.005 0.000 0.321 464 I C -0.211 175.923 176.117 0.029 0.000 1.315 464 I CA 0.066 61.379 61.300 0.021 0.000 1.148 464 I CB -0.339 37.683 38.000 0.037 0.000 1.028 464 I HN 0.600 nan 8.210 nan 0.000 0.415 465 D N -0.273 120.144 120.400 0.028 0.000 2.803 465 D HA 0.399 5.043 4.640 0.005 0.000 0.218 465 D C -0.811 175.586 176.300 0.162 0.000 1.245 465 D CA -0.516 53.530 54.000 0.078 0.000 0.821 465 D CB 1.724 42.552 40.800 0.047 0.000 1.626 465 D HN 0.030 nan 8.370 nan 0.000 0.487 466 F N 1.756 121.678 119.950 -0.047 0.000 3.087 466 F HA 0.301 4.831 4.527 0.005 0.000 0.371 466 F C 1.718 177.326 175.800 -0.322 0.000 1.144 466 F CA 0.381 58.197 58.000 -0.305 0.000 1.030 466 F CB 0.686 39.566 39.000 -0.200 0.000 1.366 466 F HN 0.578 nan 8.300 nan 0.000 0.522 467 G N 2.059 110.868 108.800 0.016 0.000 2.816 467 G HA2 -0.297 3.666 3.960 0.005 0.000 0.229 467 G HA3 -0.297 3.666 3.960 0.005 0.000 0.229 467 G C 0.608 175.486 174.900 -0.036 0.000 1.158 467 G CA 1.724 46.828 45.100 0.007 0.000 0.761 467 G HN 0.327 nan 8.290 nan 0.000 0.636 468 L N -3.267 117.904 121.223 -0.087 0.000 2.333 468 L HA 0.855 5.198 4.340 0.005 0.000 0.280 468 L C 0.013 176.763 176.870 -0.199 0.000 1.004 468 L CA -0.439 54.348 54.840 -0.089 0.000 0.820 468 L CB 1.962 44.020 42.059 -0.003 0.000 1.247 468 L HN 0.521 nan 8.230 nan 0.000 0.416 469 G N 1.642 110.313 108.800 -0.215 0.000 2.733 469 G HA2 0.084 4.047 3.960 0.005 0.000 0.223 469 G HA3 0.084 4.047 3.960 0.005 0.000 0.223 469 G C -0.780 173.861 174.900 -0.432 0.000 3.546 469 G CA -0.939 44.011 45.100 -0.251 0.000 0.654 469 G HN 0.733 nan 8.290 nan 0.000 0.432 470 K N 0.535 120.805 120.400 -0.217 0.000 2.386 470 K HA 0.792 5.115 4.320 0.005 0.000 0.249 470 K C 1.460 178.091 176.600 0.051 0.000 1.055 470 K CA -0.503 55.739 56.287 -0.075 0.000 0.930 470 K CB 0.413 32.936 32.500 0.039 0.000 1.230 470 K HN 0.640 nan 8.250 nan 0.000 0.507 477 D N 2.117 122.567 120.400 0.083 0.000 2.103 477 D HA -0.172 4.471 4.640 0.005 0.000 0.190 477 D C 1.574 177.941 176.300 0.111 0.000 0.997 477 D CA 1.500 55.545 54.000 0.075 0.000 0.833 477 D CB 0.096 40.920 40.800 0.041 0.000 0.961 477 D HN 0.117 nan 8.370 nan 0.000 0.447 478 K N 0.687 121.169 120.400 0.137 0.000 2.044 478 K HA -0.162 4.162 4.320 0.005 0.000 0.210 478 K C 2.194 179.014 176.600 0.365 0.000 1.049 478 K CA 1.393 57.851 56.287 0.285 0.000 0.927 478 K CB -0.163 32.577 32.500 0.401 0.000 0.713 478 K HN 0.050 nan 8.250 nan 0.000 0.443 479 A N 0.991 123.963 122.820 0.253 0.000 1.933 479 A HA -0.113 4.210 4.320 0.005 0.000 0.218 479 A C 2.403 180.093 177.584 0.177 0.000 1.175 479 A CA 1.373 53.535 52.037 0.207 0.000 0.628 479 A CB -0.608 18.490 19.000 0.163 0.000 0.814 479 A HN 0.087 nan 8.150 nan 0.000 0.444 480 V N 0.496 120.501 119.914 0.153 0.000 2.343 480 V HA -0.236 3.887 4.120 0.005 0.000 0.247 480 V C 2.375 178.554 176.094 0.142 0.000 1.051 480 V CA 2.419 64.793 62.300 0.123 0.000 1.036 480 V CB -0.710 31.170 31.823 0.095 0.000 0.654 480 V HN 0.645 nan 8.190 nan 0.000 0.451 481 D N -0.186 120.325 120.400 0.184 0.000 2.178 481 D HA -0.124 4.519 4.640 0.005 0.000 0.201 481 D C 2.032 178.461 176.300 0.215 0.000 0.980 481 D CA 1.165 55.288 54.000 0.206 0.000 0.842 481 D CB -0.115 40.844 40.800 0.265 0.000 0.948 481 D HN 0.381 nan 8.370 nan 0.000 0.472 482 L N 0.185 121.535 121.223 0.212 0.000 1.976 482 L HA -0.170 4.174 4.340 0.005 0.000 0.209 482 L C 2.555 179.538 176.870 0.190 0.000 1.071 482 L CA 1.337 56.273 54.840 0.160 0.000 0.746 482 L CB -0.750 41.379 42.059 0.115 0.000 0.890 482 L HN 0.156 nan 8.230 nan 0.000 0.432 483 I N -2.884 117.784 120.570 0.163 0.000 2.567 483 I HA -0.154 4.020 4.170 0.005 0.000 0.257 483 I C 2.255 178.407 176.117 0.058 0.000 1.184 483 I CA 1.054 62.411 61.300 0.096 0.000 1.451 483 I CB -0.959 37.076 38.000 0.059 0.000 1.089 483 I HN -0.097 nan 8.210 nan 0.000 0.441 484 V N 0.702 120.675 119.914 0.099 0.000 2.343 484 V HA -0.269 3.854 4.120 0.005 0.000 0.247 484 V C 2.371 178.534 176.094 0.115 0.000 1.051 484 V CA 2.314 64.670 62.300 0.094 0.000 1.036 484 V CB -0.806 31.084 31.823 0.112 0.000 0.654 484 V HN 0.561 nan 8.190 nan 0.000 0.451 485 F N 0.941 120.884 119.950 -0.012 0.000 2.234 485 F HA -0.040 4.490 4.527 0.005 0.000 0.296 485 F C 2.386 178.163 175.800 -0.038 0.000 1.089 485 F CA 1.884 59.857 58.000 -0.044 0.000 1.343 485 F CB -0.309 38.619 39.000 -0.120 0.000 1.040 485 F HN -0.008 nan 8.300 nan 0.000 0.498 486 K N 0.759 121.110 120.400 -0.081 0.000 2.032 486 K HA -0.285 4.038 4.320 0.005 0.000 0.209 486 K C 2.334 178.758 176.600 -0.293 0.000 1.048 486 K CA 1.935 58.107 56.287 -0.193 0.000 0.927 486 K CB -0.329 32.042 32.500 -0.214 0.000 0.712 486 K HN 0.246 nan 8.250 nan 0.000 0.441 487 K N -0.087 120.183 120.400 -0.216 0.000 2.147 487 K HA -0.121 4.202 4.320 0.005 0.000 0.205 487 K C 1.906 178.394 176.600 -0.187 0.000 1.049 487 K CA 1.170 57.333 56.287 -0.207 0.000 0.936 487 K CB -0.137 32.290 32.500 -0.122 0.000 0.722 487 K HN 0.275 nan 8.250 nan 0.000 0.446 488 A N 0.339 123.054 122.820 -0.175 0.000 1.930 488 A HA -0.091 4.232 4.320 0.005 0.000 0.217 488 A C 2.149 179.615 177.584 -0.197 0.000 1.175 488 A CA 1.531 53.480 52.037 -0.146 0.000 0.627 488 A CB -0.420 18.531 19.000 -0.081 0.000 0.815 488 A HN 0.160 nan 8.150 nan 0.000 0.443 489 V N -0.103 119.601 119.914 -0.349 0.000 2.379 489 V HA -0.184 3.940 4.120 0.005 0.000 0.245 489 V C 2.474 178.545 176.094 -0.039 0.000 1.044 489 V CA 1.607 63.813 62.300 -0.157 0.000 1.036 489 V CB -0.797 30.934 31.823 -0.153 0.000 0.664 489 V HN 0.537 nan 8.190 nan 0.000 0.453 490 L N 0.153 121.225 121.223 -0.250 0.000 2.131 490 L HA -0.169 4.174 4.340 0.005 0.000 0.210 490 L C 2.703 179.447 176.870 -0.210 0.000 1.092 490 L CA 1.695 56.305 54.840 -0.383 0.000 0.759 490 L CB -0.526 41.179 42.059 -0.591 0.000 0.903 490 L HN 0.412 nan 8.230 nan 0.000 0.435 491 S N -0.535 115.071 115.700 -0.158 0.000 2.335 491 S HA -0.169 4.304 4.470 0.005 0.000 0.216 491 S C 1.975 176.559 174.600 -0.027 0.000 1.032 491 S CA 2.029 60.170 58.200 -0.098 0.000 1.000 491 S CB -0.181 63.014 63.200 -0.007 0.000 0.928 491 S HN 0.584 nan 8.310 nan 0.000 0.434 492 T N -2.704 111.839 114.554 -0.018 0.000 3.014 492 T HA 0.282 4.635 4.350 0.005 0.000 0.250 492 T C 0.450 175.005 174.700 -0.242 0.000 1.060 492 T CA 0.190 62.239 62.100 -0.086 0.000 1.040 492 T CB -0.250 68.553 68.868 -0.108 0.000 0.971 492 T HN 0.508 nan 8.240 nan 0.000 0.497 493 H N 0.205 119.292 119.070 0.029 0.000 2.591 493 H HA 0.361 4.920 4.556 0.005 0.000 0.241 493 H C 0.769 176.159 175.328 0.103 0.000 1.292 493 H CA -0.392 55.691 56.048 0.058 0.000 1.022 493 H CB 0.167 29.960 29.762 0.053 0.000 1.875 493 H HN 0.339 nan 8.280 nan 0.000 0.570 494 H N 0.098 119.190 119.070 0.037 0.000 2.495 494 H HA -0.060 4.499 4.556 0.005 0.000 0.287 494 H C 2.002 177.367 175.328 0.062 0.000 1.033 494 H CA 1.282 57.333 56.048 0.005 0.000 1.307 494 H CB 0.560 30.264 29.762 -0.096 0.000 1.401 494 H HN 0.330 nan 8.280 nan 0.000 0.555 495 E N 0.703 120.899 120.200 -0.006 0.000 2.153 495 E HA -0.092 4.261 4.350 0.005 0.000 0.194 495 E C 0.812 177.393 176.600 -0.032 0.000 0.988 495 E CA 1.132 57.505 56.400 -0.045 0.000 0.811 495 E CB 0.172 29.882 29.700 0.017 0.000 0.746 495 E HN 0.348 nan 8.360 nan 0.000 0.466 496 K N -1.178 119.251 120.400 0.048 0.000 3.209 496 K HA 0.133 4.456 4.320 0.005 0.000 0.202 496 K C 0.173 176.818 176.600 0.075 0.000 1.109 496 K CA -0.225 56.088 56.287 0.043 0.000 0.968 496 K CB -0.221 32.305 32.500 0.044 0.000 0.732 496 K HN 0.023 nan 8.250 nan 0.000 0.450 497 F N 0.916 120.836 119.950 -0.049 0.000 2.098 497 F HA 0.031 4.561 4.527 0.006 0.000 0.294 497 F C 0.500 176.303 175.800 0.005 0.000 1.107 497 F CA 0.956 58.941 58.000 -0.025 0.000 1.234 497 F CB 0.247 39.219 39.000 -0.046 0.000 1.002 497 F HN 0.061 nan 8.300 nan 0.000 0.472 498 D N 1.861 122.214 120.400 -0.080 0.000 2.472 498 D HA -0.054 4.589 4.640 0.005 0.000 0.237 498 D C 0.751 176.958 176.300 -0.156 0.000 1.141 498 D CA 0.979 54.885 54.000 -0.158 0.000 0.875 498 D CB 0.772 41.589 40.800 0.027 0.000 1.192 498 D HN 0.460 nan 8.370 nan 0.000 0.450 499 E N -0.260 119.855 120.200 -0.140 0.000 3.286 499 E HA -0.261 4.092 4.350 0.005 0.000 0.292 499 E C 0.859 177.406 176.600 -0.088 0.000 0.928 499 E CA 0.649 57.003 56.400 -0.078 0.000 0.982 499 E CB -0.957 28.718 29.700 -0.042 0.000 1.500 499 E HN 0.651 nan 8.360 nan 0.000 0.441 500 I N -4.273 116.203 120.570 -0.156 0.000 4.592 500 I HA 0.221 4.394 4.170 0.005 0.000 0.329 500 I C 1.555 177.645 176.117 -0.045 0.000 1.309 500 I CA -0.484 60.759 61.300 -0.095 0.000 1.243 500 I CB -0.102 37.846 38.000 -0.086 0.000 1.241 500 I HN 0.144 nan 8.210 nan 0.000 0.434 501 W N 2.804 123.856 121.300 -0.413 0.000 2.584 501 W HA 0.034 4.697 4.660 0.006 0.000 0.264 501 W C 2.197 178.688 176.519 -0.048 0.000 1.264 501 W CA 1.665 58.846 57.345 -0.273 0.000 1.306 501 W CB 0.317 29.474 29.460 -0.506 0.000 1.110 501 W HN 0.334 nan 8.180 nan 0.000 0.606 502 E N 0.222 120.406 120.200 -0.026 0.000 2.072 502 E HA -0.136 4.217 4.350 0.005 0.000 0.190 502 E C 2.136 178.695 176.600 -0.068 0.000 0.982 502 E CA 1.423 57.780 56.400 -0.071 0.000 0.803 502 E CB -0.291 29.397 29.700 -0.019 0.000 0.755 502 E HN 0.085 nan 8.360 nan 0.000 0.453 503 R N -0.602 119.887 120.500 -0.017 0.000 2.189 503 R HA -0.093 4.250 4.340 0.005 0.000 0.223 503 R C 2.167 178.478 176.300 0.018 0.000 1.092 503 R CA 1.030 57.144 56.100 0.023 0.000 0.989 503 R CB -0.414 29.907 30.300 0.035 0.000 0.876 503 R HN 0.288 nan 8.270 nan 0.000 0.457 504 F N 1.543 121.404 119.950 -0.148 0.000 2.060 504 F HA -0.158 4.373 4.527 0.006 0.000 0.295 504 F C 1.993 177.625 175.800 -0.281 0.000 1.120 504 F CA 1.407 59.291 58.000 -0.193 0.000 1.205 504 F CB -0.359 38.543 39.000 -0.163 0.000 0.986 504 F HN -0.155 nan 8.300 nan 0.000 0.470 505 L N 0.197 121.284 121.223 -0.226 0.000 2.079 505 L HA -0.226 4.117 4.340 0.005 0.000 0.210 505 L C 2.364 179.000 176.870 -0.389 0.000 1.081 505 L CA 1.584 56.218 54.840 -0.343 0.000 0.752 505 L CB -0.837 41.010 42.059 -0.353 0.000 0.896 505 L HN 0.180 nan 8.230 nan 0.000 0.433 506 E N 0.389 120.423 120.200 -0.277 0.000 2.147 506 E HA -0.212 4.141 4.350 0.005 0.000 0.199 506 E C 2.082 178.420 176.600 -0.437 0.000 1.005 506 E CA 1.621 57.909 56.400 -0.188 0.000 0.810 506 E CB -0.304 29.447 29.700 0.086 0.000 0.736 506 E HN 0.434 nan 8.360 nan 0.000 0.460 507 G N -1.699 106.642 108.800 -0.766 0.000 2.459 507 G HA2 -0.213 3.750 3.960 0.005 0.000 0.213 507 G HA3 -0.213 3.750 3.960 0.005 0.000 0.213 507 G C 1.447 175.948 174.900 -0.666 0.000 1.155 507 G CA 0.438 44.913 45.100 -1.041 0.000 0.811 507 G HN 0.344 nan 8.290 nan 0.000 0.534 508 Y N 1.440 121.286 120.300 -0.757 0.000 2.220 508 Y HA 0.042 4.595 4.550 0.005 0.000 0.291 508 Y C 2.775 178.363 175.900 -0.520 0.000 1.129 508 Y CA 1.729 59.455 58.100 -0.624 0.000 1.161 508 Y CB 0.092 38.132 38.460 -0.701 0.000 0.997 508 Y HN 0.093 nan 8.280 nan 0.000 0.522 509 K N -0.389 119.641 120.400 -0.617 0.000 2.057 509 K HA -0.157 4.167 4.320 0.005 0.000 0.207 509 K C 2.237 178.420 176.600 -0.695 0.000 1.049 509 K CA 1.629 57.252 56.287 -1.107 0.000 0.931 509 K CB -0.262 31.456 32.500 -1.304 0.000 0.714 509 K HN 0.166 nan 8.250 nan 0.000 0.440 510 S N 0.393 115.800 115.700 -0.489 0.000 2.359 510 S HA -0.147 4.326 4.470 0.005 0.000 0.223 510 S C 2.068 176.516 174.600 -0.253 0.000 1.039 510 S CA 1.559 59.572 58.200 -0.311 0.000 1.042 510 S CB -0.248 62.783 63.200 -0.281 0.000 0.915 510 S HN 0.055 nan 8.310 nan 0.000 0.439 511 V N -0.736 118.995 119.914 -0.306 0.000 2.278 511 V HA 0.046 4.169 4.120 0.005 0.000 0.238 511 V C 0.968 176.985 176.094 -0.129 0.000 1.039 511 V CA 0.633 62.805 62.300 -0.213 0.000 1.017 511 V CB -0.498 31.179 31.823 -0.244 0.000 0.657 511 V HN 0.535 nan 8.190 nan 0.000 0.462 512 Y N 2.460 122.517 120.300 -0.404 0.000 2.402 512 Y HA 0.060 4.613 4.550 0.005 0.000 0.333 512 Y C 1.555 177.424 175.900 -0.051 0.000 1.076 512 Y CA -0.698 57.234 58.100 -0.279 0.000 1.299 512 Y CB 0.907 39.093 38.460 -0.457 0.000 1.197 512 Y HN 0.514 nan 8.280 nan 0.000 0.517 513 D N 3.449 123.738 120.400 -0.185 0.000 2.137 513 D HA -0.143 4.500 4.640 0.005 0.000 0.202 513 D C 0.791 176.893 176.300 -0.330 0.000 0.970 513 D CA 1.013 54.934 54.000 -0.132 0.000 0.837 513 D CB -0.089 40.663 40.800 -0.080 0.000 0.981 513 D HN 0.375 nan 8.370 nan 0.000 0.475 514 R N 1.319 121.291 120.500 -0.881 0.000 4.054 514 R HA 0.045 4.388 4.340 0.005 0.000 0.227 514 R C 1.041 177.003 176.300 -0.563 0.000 1.902 514 R CA -0.218 55.455 56.100 -0.713 0.000 1.590 514 R CB -1.235 28.738 30.300 -0.544 0.000 1.245 514 R HN 0.615 nan 8.270 nan 0.000 0.647 515 W N -0.267 120.783 121.300 -0.417 0.000 2.443 515 W HA 0.051 4.715 4.660 0.005 0.000 0.296 515 W C 0.606 177.151 176.519 0.044 0.000 1.202 515 W CA 0.312 57.627 57.345 -0.051 0.000 1.312 515 W CB -0.281 29.166 29.460 -0.022 0.000 1.120 515 W HN 0.141 nan 8.180 nan 0.000 0.536 516 E N 0.660 120.246 120.200 -1.023 0.000 2.418 516 E HA -0.106 4.247 4.350 0.005 0.000 0.197 516 E C 1.973 178.365 176.600 -0.346 0.000 1.026 516 E CA 0.668 56.563 56.400 -0.842 0.000 0.862 516 E CB -0.013 29.017 29.700 -1.116 0.000 0.799 516 E HN 0.196 nan 8.360 nan 0.000 0.518 517 I N 1.271 121.687 120.570 -0.256 0.000 2.193 517 I HA -0.226 3.947 4.170 0.005 0.000 0.240 517 I C 2.236 178.354 176.117 0.003 0.000 1.084 517 I CA 0.850 62.081 61.300 -0.114 0.000 1.365 517 I CB -0.273 37.663 38.000 -0.106 0.000 1.064 517 I HN 0.216 nan 8.210 nan 0.000 0.410 518 I N -1.154 119.471 120.570 0.093 0.000 2.876 518 I HA -0.058 4.115 4.170 0.005 0.000 0.264 518 I C 2.075 178.287 176.117 0.159 0.000 1.204 518 I CA 1.394 62.796 61.300 0.170 0.000 1.485 518 I CB -1.006 37.171 38.000 0.296 0.000 1.103 518 I HN 0.195 nan 8.210 nan 0.000 0.446 519 L N 1.015 122.326 121.223 0.146 0.000 2.240 519 L HA -0.094 4.249 4.340 0.005 0.000 0.211 519 L C 2.552 179.489 176.870 0.111 0.000 1.106 519 L CA 1.050 55.986 54.840 0.160 0.000 0.793 519 L CB -0.100 42.082 42.059 0.205 0.000 0.927 519 L HN 0.212 nan 8.230 nan 0.000 0.446 520 E N -0.012 120.215 120.200 0.046 0.000 2.107 520 E HA -0.203 4.150 4.350 0.005 0.000 0.191 520 E C 1.979 178.608 176.600 0.049 0.000 0.982 520 E CA 1.073 57.491 56.400 0.030 0.000 0.809 520 E CB -0.235 29.454 29.700 -0.019 0.000 0.756 520 E HN 0.272 nan 8.360 nan 0.000 0.459 521 L N 0.276 121.535 121.223 0.059 0.000 2.291 521 L HA 0.064 4.407 4.340 0.005 0.000 0.214 521 L C 2.021 178.941 176.870 0.084 0.000 1.120 521 L CA 1.090 55.970 54.840 0.067 0.000 0.799 521 L CB -0.509 41.593 42.059 0.072 0.000 0.925 521 L HN 0.375 nan 8.230 nan 0.000 0.446 522 M N -0.505 119.160 119.600 0.108 0.000 2.229 522 M HA -0.251 4.232 4.480 0.005 0.000 0.264 522 M C 1.871 178.231 176.300 0.099 0.000 1.063 522 M CA 1.508 56.881 55.300 0.122 0.000 1.114 522 M CB 0.062 32.764 32.600 0.170 0.000 1.387 522 M HN 0.031 nan 8.290 nan 0.000 0.420 523 K N 0.735 121.189 120.400 0.091 0.000 2.097 523 K HA -0.127 4.196 4.320 0.005 0.000 0.205 523 K C 1.180 177.812 176.600 0.053 0.000 1.050 523 K CA 1.748 58.078 56.287 0.070 0.000 0.938 523 K CB -0.370 32.170 32.500 0.067 0.000 0.718 523 K HN 0.419 nan 8.250 nan 0.000 0.442 524 D N -0.758 119.673 120.400 0.052 0.000 2.144 524 D HA -0.134 4.509 4.640 0.005 0.000 0.200 524 D C 1.575 177.901 176.300 0.043 0.000 0.978 524 D CA 1.424 55.450 54.000 0.043 0.000 0.833 524 D CB 0.126 40.951 40.800 0.042 0.000 0.961 524 D HN 0.160 nan 8.370 nan 0.000 0.470 525 V N -1.772 118.172 119.914 0.051 0.000 3.052 525 V HA 0.026 4.149 4.120 0.005 0.000 0.254 525 V C 1.675 177.793 176.094 0.040 0.000 1.100 525 V CA 0.912 63.241 62.300 0.048 0.000 1.112 525 V CB -0.345 31.513 31.823 0.058 0.000 0.738 525 V HN 0.025 nan 8.190 nan 0.000 0.469 526 E N 0.649 120.873 120.200 0.039 0.000 2.152 526 E HA -0.001 4.352 4.350 0.005 0.000 0.192 526 E C 1.253 177.864 176.600 0.017 0.000 0.983 526 E CA 0.366 56.780 56.400 0.023 0.000 0.818 526 E CB 0.102 29.814 29.700 0.020 0.000 0.758 526 E HN 0.635 nan 8.360 nan 0.000 0.467 527 R N 0.000 120.514 120.500 0.024 0.000 2.786 527 R HA 0.000 4.343 4.340 0.005 0.000 0.208 527 R CA 0.000 56.113 56.100 0.021 0.000 0.921 527 R CB 0.000 30.315 30.300 0.024 0.000 0.687 527 R HN 0.000 nan 8.270 nan 0.000 0.535