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 2oga_1_A DATA FIRST_RESID 7 DATA SEQUENCE TPRVPFLDLK AAYEELRAET DAAIARVLDS GRYLLGPELE GFEAEFAAYC DATA SEQUENCE ETDHAVGVNS GMDALQLALR GLGIGPGDEV IVPSHTYIAS WLAVSATGAT DATA SEQUENCE PVPVEPHEDH PTLDPLLVEK AITPRTRALL PVHLYGHPAD MDALRELADR DATA SEQUENCE HGLHIVEDAA QAHGARYRGR RIGAGSSVAA FSFYPGKNLG CFGDGGAVVT DATA SEQUENCE GDPELAERLR MLRNYGSRQK YSHETKGTNS RLDEMQAAVL RIRLAHLDSW DATA SEQUENCE NGRRSALAAE YLSGLAGLPG IGLPVTAPDT DPVWHLFTVR TERRDELRSH DATA SEQUENCE LDARGIDTLT HYPVPVHLSP AYAGEAPPEG SLPRAESFAR QVLSLPIGPH DATA SEQUENCE LERPQALRVI DAVREWAERV D 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.698 174.700 -0.003 0.000 1.109 7 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 7 T CB 0.000 68.866 68.868 -0.004 0.000 0.612 8 P HA 0.503 nan 4.420 nan 0.000 0.287 8 P C -0.385 176.913 177.300 -0.002 0.000 1.281 8 P CA -0.666 62.433 63.100 -0.003 0.000 0.781 8 P CB 0.542 32.239 31.700 -0.005 0.000 0.903 9 R N 0.879 121.380 120.500 0.002 0.000 2.784 9 R HA 0.275 4.620 4.340 0.009 0.000 0.266 9 R C -0.234 176.071 176.300 0.008 0.000 1.044 9 R CA -0.678 55.424 56.100 0.004 0.000 1.151 9 R CB 0.145 30.451 30.300 0.010 0.000 1.037 9 R HN 0.241 nan 8.270 nan 0.000 0.478 10 V N 4.368 124.289 119.914 0.011 0.000 2.408 10 V HA 0.168 4.294 4.120 0.009 0.000 0.267 10 V C -1.734 174.384 176.094 0.040 0.000 1.047 10 V CA -1.734 60.575 62.300 0.015 0.000 0.937 10 V CB 0.933 32.763 31.823 0.011 0.000 0.999 10 V HN 0.701 nan 8.190 nan 0.000 0.472 11 P HA 0.137 nan 4.420 nan 0.000 0.277 11 P C 0.500 177.860 177.300 0.100 0.000 1.240 11 P CA -0.339 62.805 63.100 0.075 0.000 0.798 11 P CB 0.966 32.695 31.700 0.048 0.000 0.979 12 F N 2.586 122.550 119.950 0.023 0.000 2.146 12 F HA 0.089 4.622 4.527 0.010 0.000 0.298 12 F C 0.603 176.427 175.800 0.040 0.000 1.096 12 F CA 1.329 59.349 58.000 0.033 0.000 1.275 12 F CB 0.130 39.157 39.000 0.046 0.000 1.008 12 F HN 0.189 nan 8.300 nan 0.000 0.480 13 L N 0.648 121.890 121.223 0.033 0.000 2.830 13 L HA 0.252 4.598 4.340 0.009 0.000 0.259 13 L C -1.738 175.162 176.870 0.050 0.000 0.943 13 L CA -0.586 54.236 54.840 -0.030 0.000 0.997 13 L CB 0.764 42.818 42.059 -0.008 0.000 1.427 13 L HN -0.140 nan 8.230 nan 0.000 0.456 14 D N 4.796 125.208 120.400 0.020 0.000 2.393 14 D HA 0.269 4.914 4.640 0.009 0.000 0.232 14 D C 1.038 177.350 176.300 0.020 0.000 1.192 14 D CA -0.072 53.941 54.000 0.021 0.000 0.882 14 D CB 0.833 41.627 40.800 -0.009 0.000 1.038 14 D HN 0.667 nan 8.370 nan 0.000 0.499 15 L N 3.148 124.402 121.223 0.052 0.000 2.156 15 L HA -0.110 4.236 4.340 0.009 0.000 0.208 15 L C 2.209 179.136 176.870 0.095 0.000 1.095 15 L CA 0.695 55.581 54.840 0.076 0.000 0.770 15 L CB -0.319 41.791 42.059 0.085 0.000 0.914 15 L HN 0.281 nan 8.230 nan 0.000 0.439 16 K N 1.254 121.696 120.400 0.070 0.000 2.057 16 K HA -0.093 4.233 4.320 0.009 0.000 0.206 16 K C 2.071 178.669 176.600 -0.004 0.000 1.050 16 K CA 1.505 57.851 56.287 0.099 0.000 0.935 16 K CB -0.340 32.199 32.500 0.065 0.000 0.715 16 K HN 0.163 nan 8.250 nan 0.000 0.439 17 A N 0.757 123.487 122.820 -0.151 0.000 1.948 17 A HA -0.139 4.186 4.320 0.009 0.000 0.220 17 A C 2.398 179.579 177.584 -0.672 0.000 1.177 17 A CA 2.210 53.996 52.037 -0.419 0.000 0.636 17 A CB -1.144 17.584 19.000 -0.453 0.000 0.815 17 A HN 0.474 nan 8.150 nan 0.000 0.449 18 A N -1.354 121.217 122.820 -0.414 0.000 1.902 18 A HA -0.100 4.226 4.320 0.009 0.000 0.217 18 A C 2.165 179.879 177.584 0.216 0.000 1.181 18 A CA 1.774 53.760 52.037 -0.086 0.000 0.623 18 A CB -0.777 18.347 19.000 0.206 0.000 0.818 18 A HN 0.810 nan 8.150 nan 0.000 0.443 19 Y N 0.779 121.146 120.300 0.111 0.000 2.163 19 Y HA -0.123 4.433 4.550 0.009 0.000 0.288 19 Y C 2.202 178.137 175.900 0.057 0.000 1.136 19 Y CA 2.031 60.244 58.100 0.189 0.000 1.147 19 Y CB -0.808 37.762 38.460 0.185 0.000 0.987 19 Y HN 0.396 nan 8.280 nan 0.000 0.509 20 E N 0.907 120.923 120.200 -0.308 0.000 2.065 20 E HA -0.306 4.049 4.350 0.009 0.000 0.201 20 E C 2.260 178.710 176.600 -0.249 0.000 1.016 20 E CA 2.117 58.268 56.400 -0.415 0.000 0.818 20 E CB -0.581 28.956 29.700 -0.272 0.000 0.749 20 E HN 0.669 nan 8.360 nan 0.000 0.453 21 E N -0.619 119.495 120.200 -0.143 0.000 2.171 21 E HA -0.176 4.179 4.350 0.009 0.000 0.197 21 E C 0.783 177.401 176.600 0.031 0.000 0.997 21 E CA 1.258 57.656 56.400 -0.004 0.000 0.810 21 E CB -0.018 29.772 29.700 0.150 0.000 0.738 21 E HN 0.355 nan 8.360 nan 0.000 0.467 22 L N 0.224 121.459 121.223 0.020 0.000 3.288 22 L HA 0.299 4.644 4.340 0.009 0.000 0.293 22 L C 1.567 178.439 176.870 0.003 0.000 1.294 22 L CA -0.422 54.420 54.840 0.004 0.000 1.006 22 L CB 0.290 42.338 42.059 -0.017 0.000 1.407 22 L HN 0.007 nan 8.230 nan 0.000 0.592 23 R N 1.616 122.037 120.500 -0.131 0.000 2.136 23 R HA -0.271 4.075 4.340 0.009 0.000 0.242 23 R C 2.219 178.506 176.300 -0.022 0.000 1.131 23 R CA 2.415 58.373 56.100 -0.238 0.000 0.937 23 R CB -0.120 29.941 30.300 -0.399 0.000 0.863 23 R HN 0.434 nan 8.270 nan 0.000 0.435 24 A N 0.961 123.765 122.820 -0.026 0.000 1.883 24 A HA -0.211 4.114 4.320 0.009 0.000 0.217 24 A C 1.986 179.593 177.584 0.039 0.000 1.186 24 A CA 1.884 53.927 52.037 0.011 0.000 0.624 24 A CB -0.598 18.403 19.000 0.001 0.000 0.822 24 A HN 0.648 nan 8.150 nan 0.000 0.444 25 E N -0.716 119.507 120.200 0.039 0.000 2.051 25 E HA -0.151 4.204 4.350 0.009 0.000 0.192 25 E C 2.081 178.722 176.600 0.069 0.000 0.991 25 E CA 1.565 57.993 56.400 0.046 0.000 0.799 25 E CB -0.629 29.094 29.700 0.039 0.000 0.748 25 E HN 0.578 nan 8.360 nan 0.000 0.449 26 T N 1.842 116.462 114.554 0.111 0.000 2.607 26 T HA -0.181 4.175 4.350 0.009 0.000 0.267 26 T C 1.455 176.237 174.700 0.137 0.000 1.049 26 T CA 1.771 63.975 62.100 0.173 0.000 1.162 26 T CB -0.470 68.607 68.868 0.348 0.000 0.863 26 T HN 0.126 nan 8.240 nan 0.000 0.424 27 D N 1.236 121.726 120.400 0.150 0.000 2.133 27 D HA -0.080 4.565 4.640 0.009 0.000 0.195 27 D C 2.251 178.583 176.300 0.053 0.000 0.997 27 D CA 1.378 55.433 54.000 0.091 0.000 0.840 27 D CB -0.421 40.436 40.800 0.095 0.000 0.947 27 D HN 0.452 nan 8.370 nan 0.000 0.452 28 A N 0.657 123.509 122.820 0.053 0.000 2.014 28 A HA 0.131 4.457 4.320 0.009 0.000 0.218 28 A C 2.269 179.875 177.584 0.037 0.000 1.163 28 A CA 1.569 53.629 52.037 0.038 0.000 0.652 28 A CB -0.345 18.674 19.000 0.032 0.000 0.808 28 A HN 0.222 nan 8.150 nan 0.000 0.449 29 A N -0.040 122.806 122.820 0.044 0.000 1.930 29 A HA 0.009 4.335 4.320 0.009 0.000 0.217 29 A C 2.060 179.666 177.584 0.037 0.000 1.175 29 A CA 1.328 53.387 52.037 0.036 0.000 0.627 29 A CB -0.463 18.557 19.000 0.033 0.000 0.815 29 A HN 0.474 nan 8.150 nan 0.000 0.443 30 I N -0.489 120.106 120.570 0.041 0.000 2.286 30 I HA -0.207 3.968 4.170 0.009 0.000 0.245 30 I C 2.958 179.096 176.117 0.036 0.000 1.104 30 I CA 0.893 62.213 61.300 0.034 0.000 1.397 30 I CB -0.318 37.687 38.000 0.009 0.000 1.072 30 I HN 0.356 nan 8.210 nan 0.000 0.417 31 A N 1.027 123.865 122.820 0.030 0.000 1.902 31 A HA -0.264 4.062 4.320 0.009 0.000 0.217 31 A C 2.425 180.034 177.584 0.043 0.000 1.181 31 A CA 1.875 53.931 52.037 0.032 0.000 0.623 31 A CB -0.690 18.325 19.000 0.025 0.000 0.818 31 A HN 0.384 nan 8.150 nan 0.000 0.443 32 R N -0.328 120.194 120.500 0.037 0.000 2.091 32 R HA -0.117 4.229 4.340 0.009 0.000 0.238 32 R C 1.871 178.198 176.300 0.044 0.000 1.136 32 R CA 1.976 58.096 56.100 0.033 0.000 0.959 32 R CB -0.507 29.808 30.300 0.025 0.000 0.856 32 R HN 0.278 nan 8.270 nan 0.000 0.437 33 V N 1.526 121.478 119.914 0.063 0.000 2.295 33 V HA -0.247 3.878 4.120 0.009 0.000 0.246 33 V C 2.482 178.698 176.094 0.203 0.000 1.049 33 V CA 1.774 64.134 62.300 0.100 0.000 1.024 33 V CB -0.434 31.458 31.823 0.115 0.000 0.648 33 V HN 0.358 nan 8.190 nan 0.000 0.447 34 L N -0.165 121.171 121.223 0.189 0.000 2.043 34 L HA -0.240 4.105 4.340 0.009 0.000 0.212 34 L C 2.270 179.268 176.870 0.213 0.000 1.075 34 L CA 1.737 56.714 54.840 0.229 0.000 0.752 34 L CB -0.655 41.458 42.059 0.089 0.000 0.891 34 L HN 0.380 nan 8.230 nan 0.000 0.432 35 D N -0.948 119.518 120.400 0.111 0.000 2.317 35 D HA -0.092 4.553 4.640 0.009 0.000 0.211 35 D C 2.304 178.623 176.300 0.032 0.000 0.966 35 D CA 1.249 55.290 54.000 0.069 0.000 0.876 35 D CB 0.138 40.961 40.800 0.039 0.000 0.927 35 D HN 0.351 nan 8.370 nan 0.000 0.519 36 S N -0.337 115.363 115.700 -0.001 0.000 2.423 36 S HA -0.023 4.453 4.470 0.009 0.000 0.231 36 S C 1.964 176.452 174.600 -0.186 0.000 1.014 36 S CA 1.268 59.412 58.200 -0.093 0.000 0.965 36 S CB -0.304 62.818 63.200 -0.130 0.000 0.785 36 S HN 0.287 nan 8.310 nan 0.000 0.495 37 G N 0.677 109.324 108.800 -0.256 0.000 2.189 37 G HA2 -0.307 3.658 3.960 0.009 0.000 0.267 37 G HA3 -0.307 3.658 3.960 0.009 0.000 0.267 37 G C 0.137 174.612 174.900 -0.708 0.000 0.975 37 G CA 0.398 45.315 45.100 -0.306 0.000 0.644 37 G HN 0.780 nan 8.290 nan 0.000 0.537 38 R N -0.366 119.564 120.500 -0.949 0.000 2.371 38 R HA 0.679 5.025 4.340 0.009 0.000 0.312 38 R C 0.413 176.217 176.300 -0.827 0.000 0.980 38 R CA -0.874 54.799 56.100 -0.711 0.000 0.867 38 R CB 0.242 30.355 30.300 -0.312 0.000 1.163 38 R HN 0.270 nan 8.270 nan 0.000 0.492 39 Y N 2.942 123.250 120.300 0.014 0.000 2.462 39 Y HA 0.361 4.916 4.550 0.009 0.000 0.253 39 Y C 0.194 176.107 175.900 0.021 0.000 1.095 39 Y CA -0.310 57.799 58.100 0.015 0.000 1.283 39 Y CB 0.946 39.415 38.460 0.016 0.000 1.138 39 Y HN 0.125 nan 8.280 nan 0.000 0.522 40 L N 0.572 121.862 121.223 0.112 0.000 2.422 40 L HA 0.373 4.719 4.340 0.009 0.000 0.264 40 L C -0.639 176.260 176.870 0.049 0.000 0.984 40 L CA -1.082 53.812 54.840 0.090 0.000 0.819 40 L CB 2.467 44.589 42.059 0.104 0.000 1.330 40 L HN 0.061 nan 8.230 nan 0.000 0.410 41 L N 1.968 123.224 121.223 0.054 0.000 3.713 41 L HA -0.245 4.100 4.340 0.009 0.000 0.499 41 L C 0.469 177.353 176.870 0.023 0.000 1.281 41 L CA 0.436 55.303 54.840 0.044 0.000 0.796 41 L CB -1.736 40.349 42.059 0.043 0.000 1.535 41 L HN 0.918 nan 8.230 nan 0.000 0.851 42 G N -0.344 108.468 108.800 0.019 0.000 3.107 42 G HA2 0.676 4.642 3.960 0.009 0.000 0.232 42 G HA3 0.676 4.642 3.960 0.009 0.000 0.232 42 G C -1.839 173.070 174.900 0.015 0.000 1.339 42 G CA 0.019 45.119 45.100 -0.000 0.000 1.033 42 G HN 0.085 nan 8.290 nan 0.000 0.567 43 P HA -0.045 nan 4.420 nan 0.000 0.218 43 P C 1.202 178.520 177.300 0.030 0.000 1.149 43 P CA 1.077 64.185 63.100 0.014 0.000 0.817 43 P CB 0.266 31.966 31.700 0.001 0.000 0.785 44 E N -0.178 120.038 120.200 0.027 0.000 2.072 44 E HA -0.131 4.225 4.350 0.009 0.000 0.191 44 E C 2.091 178.739 176.600 0.081 0.000 0.985 44 E CA 0.663 57.087 56.400 0.041 0.000 0.801 44 E CB -1.089 28.622 29.700 0.018 0.000 0.750 44 E HN 0.192 nan 8.360 nan 0.000 0.452 45 L N 2.035 123.305 121.223 0.077 0.000 1.989 45 L HA -0.183 4.163 4.340 0.009 0.000 0.211 45 L C 2.036 178.993 176.870 0.144 0.000 1.071 45 L CA 1.887 56.801 54.840 0.123 0.000 0.749 45 L CB -0.513 41.605 42.059 0.100 0.000 0.890 45 L HN 0.032 nan 8.230 nan 0.000 0.431 46 E N -0.586 119.670 120.200 0.093 0.000 2.058 46 E HA -0.194 4.161 4.350 0.009 0.000 0.194 46 E C 2.058 178.700 176.600 0.071 0.000 0.997 46 E CA 1.123 57.569 56.400 0.076 0.000 0.801 46 E CB -0.590 29.140 29.700 0.050 0.000 0.746 46 E HN 0.695 nan 8.360 nan 0.000 0.450 47 G N 1.133 109.977 108.800 0.073 0.000 2.446 47 G HA2 -0.292 3.674 3.960 0.009 0.000 0.217 47 G HA3 -0.292 3.674 3.960 0.009 0.000 0.217 47 G C 1.397 176.347 174.900 0.084 0.000 1.168 47 G CA 0.678 45.816 45.100 0.063 0.000 0.771 47 G HN 0.251 nan 8.290 nan 0.000 0.551 48 F N 1.764 121.701 119.950 -0.020 0.000 2.134 48 F HA -0.005 4.527 4.527 0.009 0.000 0.299 48 F C 2.628 178.444 175.800 0.028 0.000 1.097 48 F CA 1.948 59.921 58.000 -0.045 0.000 1.264 48 F CB -0.203 38.722 39.000 -0.125 0.000 1.001 48 F HN 0.287 nan 8.300 nan 0.000 0.479 49 E N 0.431 120.603 120.200 -0.047 0.000 2.051 49 E HA -0.216 4.140 4.350 0.009 0.000 0.192 49 E C 2.427 178.979 176.600 -0.079 0.000 0.991 49 E CA 1.187 57.549 56.400 -0.063 0.000 0.799 49 E CB -0.523 29.231 29.700 0.089 0.000 0.748 49 E HN 0.503 nan 8.360 nan 0.000 0.449 50 A N 1.516 124.308 122.820 -0.046 0.000 1.883 50 A HA -0.273 4.052 4.320 0.009 0.000 0.217 50 A C 1.972 179.512 177.584 -0.074 0.000 1.186 50 A CA 1.806 53.813 52.037 -0.049 0.000 0.624 50 A CB -0.513 18.471 19.000 -0.026 0.000 0.822 50 A HN 0.184 nan 8.150 nan 0.000 0.444 51 E N -1.382 118.763 120.200 -0.091 0.000 2.031 51 E HA -0.166 4.189 4.350 0.009 0.000 0.193 51 E C 1.814 178.368 176.600 -0.076 0.000 0.994 51 E CA 1.319 57.672 56.400 -0.078 0.000 0.800 51 E CB -0.332 29.331 29.700 -0.060 0.000 0.752 51 E HN 0.596 nan 8.360 nan 0.000 0.447 52 F N 1.672 121.338 119.950 -0.473 0.000 2.095 52 F HA -0.217 4.315 4.527 0.009 0.000 0.298 52 F C 2.245 177.945 175.800 -0.168 0.000 1.104 52 F CA 1.370 59.101 58.000 -0.448 0.000 1.232 52 F CB -0.778 37.712 39.000 -0.850 0.000 0.987 52 F HN -0.024 nan 8.300 nan 0.000 0.475 53 A N 0.310 123.035 122.820 -0.159 0.000 1.873 53 A HA -0.155 4.171 4.320 0.009 0.000 0.218 53 A C 2.473 179.952 177.584 -0.174 0.000 1.193 53 A CA 2.446 54.373 52.037 -0.183 0.000 0.629 53 A CB -1.650 17.291 19.000 -0.098 0.000 0.826 53 A HN 0.507 nan 8.150 nan 0.000 0.447 54 A N -1.811 120.944 122.820 -0.109 0.000 1.933 54 A HA -0.121 4.205 4.320 0.009 0.000 0.218 54 A C 2.138 179.676 177.584 -0.076 0.000 1.175 54 A CA 1.746 53.733 52.037 -0.082 0.000 0.628 54 A CB -0.826 18.144 19.000 -0.049 0.000 0.814 54 A HN 0.758 nan 8.150 nan 0.000 0.444 55 Y N 0.255 120.438 120.300 -0.195 0.000 2.128 55 Y HA -0.269 4.286 4.550 0.009 0.000 0.284 55 Y C 2.235 177.990 175.900 -0.242 0.000 1.154 55 Y CA 1.682 59.669 58.100 -0.187 0.000 1.149 55 Y CB -0.650 37.719 38.460 -0.151 0.000 0.976 55 Y HN 0.342 nan 8.280 nan 0.000 0.505 56 C N 1.551 120.612 119.300 -0.398 0.000 2.546 56 C HA 0.053 4.519 4.460 0.009 0.000 0.275 56 C C 0.531 175.369 174.990 -0.253 0.000 1.393 56 C CA 0.684 59.456 59.018 -0.411 0.000 1.703 56 C CB -2.182 25.278 27.740 -0.468 0.000 1.710 56 C HN 0.621 nan 8.230 nan 0.000 0.581 57 E N 0.280 120.351 120.200 -0.215 0.000 2.320 57 E HA -0.200 4.156 4.350 0.009 0.000 0.234 57 E C 0.161 176.698 176.600 -0.105 0.000 1.183 57 E CA 0.710 57.025 56.400 -0.142 0.000 0.713 57 E CB -1.448 28.176 29.700 -0.127 0.000 1.226 57 E HN 0.645 nan 8.360 nan 0.000 0.382 58 T N -1.898 112.588 114.554 -0.113 0.000 2.812 58 T HA 0.213 4.569 4.350 0.009 0.000 0.294 58 T C 0.069 174.703 174.700 -0.111 0.000 1.159 58 T CA -0.574 61.479 62.100 -0.079 0.000 1.008 58 T CB 1.656 70.502 68.868 -0.035 0.000 1.289 58 T HN 0.036 nan 8.240 nan 0.000 0.514 59 D N -0.133 120.192 120.400 -0.126 0.000 2.213 59 D HA 0.069 4.715 4.640 0.009 0.000 0.205 59 D C 0.147 176.092 176.300 -0.591 0.000 0.961 59 D CA 0.975 54.764 54.000 -0.352 0.000 0.853 59 D CB 0.245 40.798 40.800 -0.412 0.000 0.967 59 D HN 0.480 nan 8.370 nan 0.000 0.496 60 H N -0.976 118.094 119.070 0.001 0.000 2.961 60 H HA 0.636 5.197 4.556 0.009 0.000 0.371 60 H C -0.945 174.410 175.328 0.046 0.000 1.190 60 H CA -0.787 55.274 56.048 0.022 0.000 1.138 60 H CB 2.386 32.167 29.762 0.033 0.000 1.816 60 H HN -0.117 nan 8.280 nan 0.000 0.551 61 A N 1.743 124.685 122.820 0.204 0.000 2.408 61 A HA 0.539 4.864 4.320 0.009 0.000 0.295 61 A C -1.156 176.560 177.584 0.221 0.000 1.040 61 A CA -0.583 51.588 52.037 0.223 0.000 0.707 61 A CB 1.418 20.550 19.000 0.218 0.000 1.235 61 A HN 0.320 nan 8.150 nan 0.000 0.418 62 V N 2.461 122.517 119.914 0.237 0.000 2.349 62 V HA 0.559 4.685 4.120 0.009 0.000 0.284 62 V C 0.899 177.137 176.094 0.240 0.000 1.014 62 V CA -0.238 62.181 62.300 0.198 0.000 0.826 62 V CB 1.377 33.283 31.823 0.139 0.000 1.009 62 V HN 1.196 nan 8.190 nan 0.000 0.431 63 G N 3.794 112.751 108.800 0.262 0.000 2.378 63 G HA2 0.510 4.475 3.960 0.009 0.000 0.255 63 G HA3 0.510 4.475 3.960 0.009 0.000 0.255 63 G C -0.112 174.910 174.900 0.202 0.000 1.270 63 G CA 0.292 45.574 45.100 0.303 0.000 0.876 63 G HN 0.945 nan 8.290 nan 0.000 0.521 64 V N 0.478 120.506 119.914 0.190 0.000 3.105 64 V HA 0.582 4.708 4.120 0.009 0.000 0.311 64 V C 1.103 177.265 176.094 0.112 0.000 1.282 64 V CA -0.738 61.634 62.300 0.120 0.000 1.065 64 V CB 1.584 33.457 31.823 0.084 0.000 1.136 64 V HN 0.505 nan 8.190 nan 0.000 0.469 65 N N 0.235 118.980 118.700 0.076 0.000 2.416 65 N HA 0.146 4.892 4.740 0.009 0.000 0.177 65 N C 0.330 175.886 175.510 0.077 0.000 1.036 65 N CA 1.010 54.105 53.050 0.075 0.000 0.901 65 N CB 0.186 38.706 38.487 0.056 0.000 0.976 65 N HN 1.177 nan 8.380 nan 0.000 0.444 66 S N -4.038 111.695 115.700 0.056 0.000 2.636 66 S HA 0.462 4.937 4.470 0.009 0.000 0.266 66 S C 0.899 175.502 174.600 0.005 0.000 1.147 66 S CA -0.452 57.776 58.200 0.046 0.000 0.815 66 S CB 0.591 63.828 63.200 0.062 0.000 1.119 66 S HN -0.001 nan 8.310 nan 0.000 0.470 67 G N 0.524 109.320 108.800 -0.008 0.000 2.422 67 G HA2 -0.105 3.861 3.960 0.009 0.000 0.218 67 G HA3 -0.105 3.861 3.960 0.009 0.000 0.218 67 G C 1.173 176.063 174.900 -0.016 0.000 1.140 67 G CA 0.996 46.075 45.100 -0.035 0.000 0.775 67 G HN 0.734 nan 8.290 nan 0.000 0.545 68 M N 0.479 120.085 119.600 0.010 0.000 2.099 68 M HA -0.040 4.446 4.480 0.009 0.000 0.262 68 M C 1.850 178.150 176.300 0.001 0.000 1.067 68 M CA 1.778 57.084 55.300 0.010 0.000 1.124 68 M CB -0.070 32.543 32.600 0.021 0.000 1.353 68 M HN 0.027 nan 8.290 nan 0.000 0.410 69 D N 0.610 121.014 120.400 0.007 0.000 2.178 69 D HA -0.091 4.554 4.640 0.009 0.000 0.201 69 D C 1.929 178.230 176.300 0.002 0.000 0.980 69 D CA 1.442 55.444 54.000 0.004 0.000 0.842 69 D CB -0.255 40.551 40.800 0.010 0.000 0.948 69 D HN 0.510 nan 8.370 nan 0.000 0.472 70 A N 0.645 123.467 122.820 0.002 0.000 1.877 70 A HA -0.132 4.193 4.320 0.009 0.000 0.216 70 A C 2.373 179.948 177.584 -0.015 0.000 1.186 70 A CA 0.926 52.966 52.037 0.006 0.000 0.620 70 A CB -0.759 18.245 19.000 0.006 0.000 0.822 70 A HN 0.199 nan 8.150 nan 0.000 0.443 71 L N -0.978 120.225 121.223 -0.032 0.000 1.994 71 L HA -0.249 4.096 4.340 0.009 0.000 0.208 71 L C 2.935 179.782 176.870 -0.038 0.000 1.071 71 L CA 1.907 56.719 54.840 -0.047 0.000 0.745 71 L CB -0.617 41.410 42.059 -0.052 0.000 0.892 71 L HN 0.576 nan 8.230 nan 0.000 0.431 72 Q N 0.429 120.214 119.800 -0.025 0.000 2.002 72 Q HA -0.238 4.107 4.340 0.009 0.000 0.204 72 Q C 2.375 178.360 176.000 -0.025 0.000 0.988 72 Q CA 1.839 57.629 55.803 -0.022 0.000 0.843 72 Q CB -0.153 28.577 28.738 -0.013 0.000 0.908 72 Q HN 0.500 nan 8.270 nan 0.000 0.420 73 L N 0.099 121.311 121.223 -0.019 0.000 2.131 73 L HA -0.179 4.167 4.340 0.009 0.000 0.210 73 L C 2.579 179.432 176.870 -0.028 0.000 1.092 73 L CA 0.900 55.728 54.840 -0.019 0.000 0.759 73 L CB -0.695 41.361 42.059 -0.006 0.000 0.903 73 L HN 0.303 nan 8.230 nan 0.000 0.435 74 A N 0.453 123.254 122.820 -0.033 0.000 1.873 74 A HA -0.150 4.175 4.320 0.009 0.000 0.215 74 A C 2.268 179.804 177.584 -0.080 0.000 1.186 74 A CA 1.303 53.310 52.037 -0.051 0.000 0.616 74 A CB -0.652 18.318 19.000 -0.050 0.000 0.823 74 A HN 0.325 nan 8.150 nan 0.000 0.442 75 L N -1.134 120.046 121.223 -0.071 0.000 2.012 75 L HA -0.223 4.123 4.340 0.009 0.000 0.210 75 L C 2.808 179.635 176.870 -0.073 0.000 1.073 75 L CA 1.950 56.743 54.840 -0.078 0.000 0.748 75 L CB -0.500 41.525 42.059 -0.056 0.000 0.891 75 L HN 0.459 nan 8.230 nan 0.000 0.431 76 R N 0.225 120.694 120.500 -0.051 0.000 2.080 76 R HA -0.172 4.174 4.340 0.009 0.000 0.236 76 R C 2.259 178.529 176.300 -0.049 0.000 1.137 76 R CA 1.767 57.844 56.100 -0.040 0.000 0.943 76 R CB -0.686 29.598 30.300 -0.027 0.000 0.846 76 R HN 0.395 nan 8.270 nan 0.000 0.431 77 G N 0.373 109.139 108.800 -0.057 0.000 2.479 77 G HA2 -0.198 3.767 3.960 0.009 0.000 0.220 77 G HA3 -0.198 3.767 3.960 0.009 0.000 0.220 77 G C 1.229 176.069 174.900 -0.100 0.000 1.115 77 G CA 0.574 45.636 45.100 -0.064 0.000 0.757 77 G HN 0.295 nan 8.290 nan 0.000 0.560 78 L N 0.181 121.312 121.223 -0.153 0.000 2.611 78 L HA 0.276 4.622 4.340 0.009 0.000 0.229 78 L C 1.892 178.675 176.870 -0.145 0.000 1.137 78 L CA 0.347 55.025 54.840 -0.270 0.000 0.901 78 L CB 0.073 41.792 42.059 -0.567 0.000 1.098 78 L HN 0.336 nan 8.230 nan 0.000 0.456 79 G N 0.602 109.361 108.800 -0.069 0.000 2.136 79 G HA2 -0.237 3.729 3.960 0.009 0.000 0.242 79 G HA3 -0.237 3.729 3.960 0.009 0.000 0.242 79 G C 0.268 175.166 174.900 -0.003 0.000 0.989 79 G CA -0.392 44.697 45.100 -0.018 0.000 0.682 79 G HN 0.196 nan 8.290 nan 0.000 0.522 80 I N 1.030 121.588 120.570 -0.020 0.000 2.441 80 I HA 0.571 4.747 4.170 0.009 0.000 0.287 80 I C 1.097 177.208 176.117 -0.010 0.000 1.049 80 I CA 1.030 62.326 61.300 -0.007 0.000 1.381 80 I CB 0.672 38.661 38.000 -0.017 0.000 1.409 80 I HN 0.347 nan 8.210 nan 0.000 0.523 81 G N 7.342 116.139 108.800 -0.006 0.000 2.578 81 G HA2 0.435 4.400 3.960 0.009 0.000 0.302 81 G HA3 0.435 4.400 3.960 0.009 0.000 0.302 81 G C -3.143 171.753 174.900 -0.007 0.000 1.243 81 G CA -0.697 44.399 45.100 -0.007 0.000 0.843 81 G HN 0.278 nan 8.290 nan 0.000 0.486 82 P HA 0.219 nan 4.420 nan 0.000 0.259 82 P C 0.972 178.268 177.300 -0.006 0.000 1.163 82 P CA 2.077 65.174 63.100 -0.004 0.000 0.760 82 P CB 0.555 32.254 31.700 -0.002 0.000 0.762 83 G N 1.736 110.531 108.800 -0.009 0.000 2.195 83 G HA2 -0.178 3.788 3.960 0.009 0.000 0.246 83 G HA3 -0.178 3.788 3.960 0.009 0.000 0.246 83 G C -0.090 174.801 174.900 -0.016 0.000 0.984 83 G CA -0.196 44.897 45.100 -0.011 0.000 0.633 83 G HN 0.513 nan 8.290 nan 0.000 0.525 84 D N 0.652 121.042 120.400 -0.017 0.000 2.332 84 D HA 0.618 5.264 4.640 0.009 0.000 0.252 84 D C 0.319 176.596 176.300 -0.039 0.000 1.050 84 D CA -0.095 53.891 54.000 -0.022 0.000 0.970 84 D CB 1.094 41.886 40.800 -0.013 0.000 1.141 84 D HN 0.448 nan 8.370 nan 0.000 0.485 85 E N -0.126 120.044 120.200 -0.051 0.000 2.248 85 E HA 0.528 4.883 4.350 0.009 0.000 0.267 85 E C -1.200 175.344 176.600 -0.093 0.000 0.877 85 E CA -0.864 55.489 56.400 -0.079 0.000 0.759 85 E CB 2.487 32.135 29.700 -0.087 0.000 1.182 85 E HN 0.008 nan 8.360 nan 0.000 0.418 86 V N 4.160 123.996 119.914 -0.130 0.000 2.443 86 V HA 0.335 4.461 4.120 0.009 0.000 0.293 86 V C -0.180 175.787 176.094 -0.211 0.000 1.021 86 V CA -0.676 61.538 62.300 -0.144 0.000 0.848 86 V CB 1.359 33.103 31.823 -0.133 0.000 0.998 86 V HN 0.652 nan 8.190 nan 0.000 0.424 87 I N 5.758 126.209 120.570 -0.198 0.000 2.471 87 I HA 0.298 4.473 4.170 0.009 0.000 0.286 87 I C 0.246 176.200 176.117 -0.270 0.000 1.079 87 I CA 0.118 61.275 61.300 -0.238 0.000 1.398 87 I CB 1.182 39.062 38.000 -0.200 0.000 1.403 87 I HN 0.580 nan 8.210 nan 0.000 0.530 88 V N 5.148 124.838 119.914 -0.374 0.000 3.019 88 V HA 0.720 4.846 4.120 0.009 0.000 0.317 88 V C -2.762 173.147 176.094 -0.308 0.000 1.094 88 V CA -2.569 59.485 62.300 -0.410 0.000 1.000 88 V CB 1.560 32.939 31.823 -0.740 0.000 1.060 88 V HN 0.439 nan 8.190 nan 0.000 0.443 89 P HA 0.336 nan 4.420 nan 0.000 0.290 89 P C 0.576 177.943 177.300 0.111 0.000 1.276 89 P CA -0.277 62.785 63.100 -0.063 0.000 0.808 89 P CB 1.579 33.242 31.700 -0.062 0.000 0.966 90 S N 1.010 116.781 115.700 0.120 0.000 2.453 90 S HA -0.125 4.350 4.470 0.009 0.000 0.231 90 S C 0.653 175.417 174.600 0.273 0.000 1.005 90 S CA 0.858 59.224 58.200 0.277 0.000 0.949 90 S CB -0.921 62.352 63.200 0.122 0.000 0.774 90 S HN 0.605 nan 8.310 nan 0.000 0.510 91 H N 0.662 119.760 119.070 0.046 0.000 2.673 91 H HA 0.666 5.227 4.556 0.009 0.000 0.293 91 H C -0.329 174.949 175.328 -0.083 0.000 1.065 91 H CA 0.333 56.346 56.048 -0.058 0.000 1.236 91 H CB 0.721 30.329 29.762 -0.256 0.000 1.389 91 H HN 0.221 nan 8.280 nan 0.000 0.481 92 T N 3.092 117.431 114.554 -0.358 0.000 2.652 92 T HA 0.096 4.452 4.350 0.009 0.000 0.303 92 T C -1.909 172.670 174.700 -0.201 0.000 1.738 92 T CA -0.739 61.205 62.100 -0.259 0.000 0.969 92 T CB -0.069 68.743 68.868 -0.093 0.000 1.778 92 T HN 0.333 nan 8.240 nan 0.000 0.494 93 Y N 2.264 122.383 120.300 -0.303 0.000 2.359 93 Y HA 0.418 4.974 4.550 0.009 0.000 0.330 93 Y C 1.620 177.274 175.900 -0.410 0.000 1.143 93 Y CA -0.564 57.176 58.100 -0.599 0.000 1.318 93 Y CB 0.258 38.494 38.460 -0.373 0.000 1.234 93 Y HN 0.696 nan 8.280 nan 0.000 0.522 94 I N 4.601 124.446 120.570 -1.209 0.000 2.229 94 I HA -0.407 3.768 4.170 0.009 0.000 0.250 94 I C 2.106 177.876 176.117 -0.578 0.000 1.096 94 I CA 2.041 62.803 61.300 -0.895 0.000 1.358 94 I CB -0.321 37.209 38.000 -0.783 0.000 1.047 94 I HN 0.913 nan 8.210 nan 0.000 0.422 95 A N -0.078 122.301 122.820 -0.735 0.000 1.940 95 A HA -0.314 4.011 4.320 0.009 0.000 0.221 95 A C 2.354 179.901 177.584 -0.062 0.000 1.190 95 A CA 2.562 54.463 52.037 -0.228 0.000 0.647 95 A CB -1.080 17.933 19.000 0.022 0.000 0.821 95 A HN 0.583 nan 8.150 nan 0.000 0.457 96 S N -1.203 114.475 115.700 -0.035 0.000 2.365 96 S HA -0.234 4.242 4.470 0.009 0.000 0.225 96 S C 1.556 176.218 174.600 0.104 0.000 1.039 96 S CA 1.613 59.831 58.200 0.031 0.000 1.033 96 S CB -0.537 62.687 63.200 0.041 0.000 0.887 96 S HN 0.811 nan 8.310 nan 0.000 0.447 97 W N 1.673 122.853 121.300 -0.200 0.000 2.409 97 W HA 0.234 4.900 4.660 0.009 0.000 0.299 97 W C 2.088 178.589 176.519 -0.030 0.000 1.203 97 W CA -0.302 56.925 57.345 -0.197 0.000 1.298 97 W CB -1.243 27.944 29.460 -0.455 0.000 1.127 97 W HN 0.199 nan 8.180 nan 0.000 0.528 98 L N 0.285 121.665 121.223 0.261 0.000 2.043 98 L HA -0.260 4.086 4.340 0.009 0.000 0.212 98 L C 2.598 179.526 176.870 0.096 0.000 1.075 98 L CA 1.621 56.573 54.840 0.186 0.000 0.752 98 L CB -1.410 40.685 42.059 0.061 0.000 0.891 98 L HN -0.015 nan 8.230 nan 0.000 0.432 99 A N -0.369 122.481 122.820 0.050 0.000 1.940 99 A HA -0.153 4.173 4.320 0.009 0.000 0.219 99 A C 2.335 179.927 177.584 0.013 0.000 1.176 99 A CA 1.909 53.956 52.037 0.017 0.000 0.631 99 A CB -0.789 18.207 19.000 -0.007 0.000 0.814 99 A HN 0.221 nan 8.150 nan 0.000 0.446 100 V N -0.143 119.780 119.914 0.015 0.000 2.307 100 V HA -0.203 3.922 4.120 0.009 0.000 0.245 100 V C 2.755 178.862 176.094 0.022 0.000 1.045 100 V CA 2.291 64.585 62.300 -0.009 0.000 1.024 100 V CB -0.838 30.948 31.823 -0.060 0.000 0.651 100 V HN 0.565 nan 8.190 nan 0.000 0.449 101 S N 0.613 116.362 115.700 0.081 0.000 2.382 101 S HA -0.142 4.333 4.470 0.009 0.000 0.228 101 S C 2.204 176.831 174.600 0.045 0.000 1.027 101 S CA 1.281 59.539 58.200 0.096 0.000 0.991 101 S CB -0.520 62.794 63.200 0.191 0.000 0.823 101 S HN 0.642 nan 8.310 nan 0.000 0.469 102 A N 1.593 124.434 122.820 0.035 0.000 2.024 102 A HA -0.122 4.204 4.320 0.009 0.000 0.220 102 A C 2.322 179.908 177.584 0.004 0.000 1.164 102 A CA 1.934 53.979 52.037 0.012 0.000 0.643 102 A CB -1.081 17.924 19.000 0.008 0.000 0.806 102 A HN 0.634 nan 8.150 nan 0.000 0.451 103 T N -4.988 109.567 114.554 0.002 0.000 3.100 103 T HA 0.389 4.744 4.350 0.009 0.000 0.253 103 T C 1.441 176.140 174.700 -0.002 0.000 1.118 103 T CA 1.105 63.202 62.100 -0.005 0.000 1.058 103 T CB 0.108 68.969 68.868 -0.012 0.000 0.953 103 T HN 1.665 nan 8.240 nan 0.000 0.515 104 G N 0.936 109.738 108.800 0.003 0.000 2.175 104 G HA2 -0.040 3.926 3.960 0.009 0.000 0.244 104 G HA3 -0.040 3.926 3.960 0.009 0.000 0.244 104 G C 0.366 175.267 174.900 0.001 0.000 0.982 104 G CA -0.068 45.033 45.100 0.003 0.000 0.641 104 G HN 1.130 nan 8.290 nan 0.000 0.527 105 A N -0.322 122.496 122.820 -0.003 0.000 2.259 105 A HA 0.781 5.107 4.320 0.009 0.000 0.278 105 A C 0.547 178.123 177.584 -0.013 0.000 1.107 105 A CA 0.940 52.968 52.037 -0.014 0.000 0.828 105 A CB 0.526 19.511 19.000 -0.025 0.000 1.111 105 A HN 0.813 nan 8.150 nan 0.000 0.498 106 T N 2.600 117.132 114.554 -0.037 0.000 2.770 106 T HA 0.558 4.914 4.350 0.009 0.000 0.283 106 T C -2.808 171.816 174.700 -0.126 0.000 0.988 106 T CA -1.014 61.056 62.100 -0.050 0.000 0.957 106 T CB 1.273 70.114 68.868 -0.046 0.000 0.930 106 T HN 0.472 nan 8.240 nan 0.000 0.443 107 P HA 0.343 nan 4.420 nan 0.000 0.282 107 P C -0.897 176.102 177.300 -0.501 0.000 1.262 107 P CA -0.456 62.402 63.100 -0.403 0.000 0.773 107 P CB 0.727 32.106 31.700 -0.536 0.000 0.879 108 V N 6.504 126.127 119.914 -0.486 0.000 2.305 108 V HA 0.259 4.385 4.120 0.009 0.000 0.275 108 V C -2.108 173.706 176.094 -0.466 0.000 1.020 108 V CA -2.174 59.884 62.300 -0.403 0.000 0.811 108 V CB 1.366 33.039 31.823 -0.250 0.000 1.031 108 V HN 0.482 nan 8.190 nan 0.000 0.439 109 P HA 0.160 nan 4.420 nan 0.000 0.268 109 P C -0.662 176.500 177.300 -0.229 0.000 1.204 109 P CA 0.240 63.087 63.100 -0.423 0.000 0.768 109 P CB 1.192 32.741 31.700 -0.252 0.000 0.842 110 V N 3.670 123.475 119.914 -0.181 0.000 2.577 110 V HA 0.171 4.296 4.120 0.009 0.000 0.303 110 V C 0.502 176.543 176.094 -0.090 0.000 1.042 110 V CA -0.779 61.441 62.300 -0.134 0.000 0.872 110 V CB 1.849 33.581 31.823 -0.151 0.000 0.998 110 V HN 0.498 nan 8.190 nan 0.000 0.423 111 E N 5.670 125.830 120.200 -0.067 0.000 2.442 111 E HA 0.160 4.516 4.350 0.009 0.000 0.260 111 E C -2.261 174.304 176.600 -0.057 0.000 1.148 111 E CA -0.903 55.479 56.400 -0.031 0.000 0.976 111 E CB 0.694 30.385 29.700 -0.014 0.000 0.967 111 E HN 0.417 nan 8.360 nan 0.000 0.454 112 P HA 0.188 nan 4.420 nan 0.000 0.301 112 P C -0.197 177.089 177.300 -0.023 0.000 1.309 112 P CA -0.481 62.596 63.100 -0.038 0.000 0.782 112 P CB 0.715 32.446 31.700 0.052 0.000 1.282 113 H N -0.664 118.490 119.070 0.141 0.000 2.703 113 H HA 0.018 4.581 4.556 0.011 0.000 0.377 113 H C 1.255 176.685 175.328 0.169 0.000 1.392 113 H CA 0.336 56.467 56.048 0.138 0.000 1.458 113 H CB 0.570 30.429 29.762 0.161 0.000 1.529 113 H HN 0.596 nan 8.280 nan 0.000 0.619 114 E N 0.021 120.383 120.200 0.270 0.000 2.107 114 E HA -0.149 4.207 4.350 0.009 0.000 0.191 114 E C 0.167 176.847 176.600 0.133 0.000 0.982 114 E CA 1.042 57.540 56.400 0.163 0.000 0.809 114 E CB 0.287 30.046 29.700 0.098 0.000 0.756 114 E HN 0.483 nan 8.360 nan 0.000 0.459 115 D N -1.163 119.343 120.400 0.176 0.000 2.433 115 D HA 0.065 4.711 4.640 0.009 0.000 0.211 115 D C -0.460 175.981 176.300 0.234 0.000 1.114 115 D CA 0.205 54.282 54.000 0.127 0.000 0.837 115 D CB 0.501 41.355 40.800 0.089 0.000 0.984 115 D HN 0.141 nan 8.370 nan 0.000 0.505 116 H N 0.751 119.958 119.070 0.228 0.000 2.609 116 H HA 0.191 4.752 4.556 0.009 0.000 0.344 116 H C -2.222 173.307 175.328 0.334 0.000 1.040 116 H CA -1.770 54.407 56.048 0.216 0.000 1.216 116 H CB 2.984 32.787 29.762 0.068 0.000 1.529 116 H HN -0.247 nan 8.280 nan 0.000 0.519 117 P HA -0.024 nan 4.420 nan 0.000 0.279 117 P C -0.054 177.220 177.300 -0.043 0.000 1.451 117 P CA 0.175 63.225 63.100 -0.082 0.000 0.783 117 P CB -0.425 31.165 31.700 -0.183 0.000 1.490 118 T N -3.475 111.194 114.554 0.191 0.000 2.930 118 T HA 0.455 4.811 4.350 0.009 0.000 0.290 118 T C -0.141 174.596 174.700 0.063 0.000 1.052 118 T CA -1.324 60.878 62.100 0.169 0.000 1.017 118 T CB 0.846 69.933 68.868 0.365 0.000 1.137 118 T HN -0.191 nan 8.240 nan 0.000 0.511 119 L N 2.447 123.642 121.223 -0.048 0.000 2.578 119 L HA 0.183 4.529 4.340 0.009 0.000 0.279 119 L C 0.377 177.062 176.870 -0.308 0.000 1.227 119 L CA 0.585 55.337 54.840 -0.147 0.000 0.900 119 L CB -0.163 41.818 42.059 -0.130 0.000 1.144 119 L HN 0.763 nan 8.230 nan 0.000 0.496 120 D N 7.150 127.309 120.400 -0.401 0.000 2.365 120 D HA 0.161 4.806 4.640 0.009 0.000 0.237 120 D C -1.710 174.449 176.300 -0.235 0.000 1.190 120 D CA -2.055 51.611 54.000 -0.556 0.000 0.867 120 D CB 1.337 41.896 40.800 -0.402 0.000 1.050 120 D HN 0.295 nan 8.370 nan 0.000 0.491 121 P HA -0.177 nan 4.420 nan 0.000 0.217 121 P C 1.854 179.125 177.300 -0.048 0.000 1.151 121 P CA 0.813 63.880 63.100 -0.057 0.000 0.849 121 P CB 0.298 32.005 31.700 0.012 0.000 0.787 122 L N -1.585 119.619 121.223 -0.032 0.000 2.083 122 L HA -0.148 4.198 4.340 0.009 0.000 0.209 122 L C 2.423 179.268 176.870 -0.043 0.000 1.083 122 L CA 1.460 56.289 54.840 -0.019 0.000 0.752 122 L CB -0.823 41.240 42.059 0.006 0.000 0.899 122 L HN 0.023 nan 8.230 nan 0.000 0.433 123 L N -1.667 119.514 121.223 -0.070 0.000 2.179 123 L HA -0.102 4.244 4.340 0.009 0.000 0.208 123 L C 2.514 179.326 176.870 -0.097 0.000 1.096 123 L CA 0.223 55.016 54.840 -0.078 0.000 0.779 123 L CB -0.488 41.520 42.059 -0.084 0.000 0.922 123 L HN 0.023 nan 8.230 nan 0.000 0.443 124 V N 0.690 120.537 119.914 -0.112 0.000 2.231 124 V HA -0.354 3.772 4.120 0.009 0.000 0.248 124 V C 2.567 178.571 176.094 -0.150 0.000 1.054 124 V CA 2.330 64.549 62.300 -0.135 0.000 1.015 124 V CB -0.474 31.268 31.823 -0.135 0.000 0.638 124 V HN 0.512 nan 8.190 nan 0.000 0.444 125 E N 0.411 120.530 120.200 -0.135 0.000 2.136 125 E HA -0.301 4.055 4.350 0.009 0.000 0.208 125 E C 2.093 178.617 176.600 -0.126 0.000 1.035 125 E CA 2.011 58.323 56.400 -0.147 0.000 0.838 125 E CB -0.145 29.524 29.700 -0.052 0.000 0.748 125 E HN 0.531 nan 8.360 nan 0.000 0.459 126 K N -0.391 119.957 120.400 -0.087 0.000 2.283 126 K HA -0.028 4.297 4.320 0.009 0.000 0.202 126 K C 1.896 178.446 176.600 -0.084 0.000 1.048 126 K CA 1.034 57.280 56.287 -0.069 0.000 0.948 126 K CB -0.041 32.428 32.500 -0.052 0.000 0.742 126 K HN 0.247 nan 8.250 nan 0.000 0.458 127 A N 1.401 124.155 122.820 -0.110 0.000 2.218 127 A HA 0.130 4.455 4.320 0.009 0.000 0.209 127 A C 1.075 178.583 177.584 -0.126 0.000 1.168 127 A CA -0.224 51.744 52.037 -0.116 0.000 0.804 127 A CB -0.267 18.653 19.000 -0.133 0.000 0.834 127 A HN 0.131 nan 8.150 nan 0.000 0.482 128 I N 1.603 122.082 120.570 -0.152 0.000 2.668 128 I HA 0.050 4.225 4.170 0.009 0.000 0.285 128 I C 0.239 176.298 176.117 -0.096 0.000 1.168 128 I CA 0.422 61.623 61.300 -0.165 0.000 1.424 128 I CB 0.565 38.388 38.000 -0.295 0.000 1.377 128 I HN 0.052 nan 8.210 nan 0.000 0.560 129 T N 7.292 121.798 114.554 -0.080 0.000 2.926 129 T HA 0.337 4.693 4.350 0.009 0.000 0.289 129 T C -1.879 172.800 174.700 -0.036 0.000 1.054 129 T CA -1.110 60.959 62.100 -0.051 0.000 1.015 129 T CB 1.936 70.769 68.868 -0.057 0.000 1.167 129 T HN 0.332 nan 8.240 nan 0.000 0.526 130 P HA 0.168 nan 4.420 nan 0.000 0.242 130 P C 0.994 178.281 177.300 -0.022 0.000 1.197 130 P CA 0.567 63.657 63.100 -0.015 0.000 0.765 130 P CB 0.252 31.945 31.700 -0.011 0.000 0.936 131 R N -1.166 119.315 120.500 -0.031 0.000 2.254 131 R HA 0.102 4.448 4.340 0.009 0.000 0.195 131 R C 0.299 176.575 176.300 -0.041 0.000 0.957 131 R CA 0.335 56.416 56.100 -0.033 0.000 1.024 131 R CB -0.198 30.080 30.300 -0.036 0.000 0.952 131 R HN 0.121 nan 8.270 nan 0.000 0.484 132 T N 1.348 115.870 114.554 -0.053 0.000 2.908 132 T HA 0.054 4.409 4.350 0.009 0.000 0.301 132 T C 0.941 175.611 174.700 -0.050 0.000 1.019 132 T CA 0.191 62.251 62.100 -0.066 0.000 1.152 132 T CB 1.010 69.822 68.868 -0.094 0.000 0.966 132 T HN 0.118 nan 8.240 nan 0.000 0.540 133 R N 0.826 121.302 120.500 -0.041 0.000 2.412 133 R HA 0.510 4.856 4.340 0.009 0.000 0.212 133 R C 0.409 176.714 176.300 0.008 0.000 0.878 133 R CA 0.099 56.191 56.100 -0.013 0.000 1.022 133 R CB 0.304 30.629 30.300 0.043 0.000 1.265 133 R HN 0.671 nan 8.270 nan 0.000 0.620 134 A N 0.930 123.745 122.820 -0.009 0.000 2.609 134 A HA 0.730 5.056 4.320 0.009 0.000 0.291 134 A C -1.418 176.127 177.584 -0.065 0.000 1.096 134 A CA -0.637 51.401 52.037 0.002 0.000 0.684 134 A CB 1.279 20.302 19.000 0.038 0.000 1.282 134 A HN 0.048 nan 8.150 nan 0.000 0.412 135 L N 0.799 121.981 121.223 -0.069 0.000 2.329 135 L HA 0.593 4.938 4.340 0.009 0.000 0.279 135 L C -0.702 176.097 176.870 -0.118 0.000 1.014 135 L CA -0.423 54.351 54.840 -0.110 0.000 0.814 135 L CB 1.746 43.741 42.059 -0.107 0.000 1.257 135 L HN 0.644 nan 8.230 nan 0.000 0.424 136 L N 5.610 126.741 121.223 -0.152 0.000 2.445 136 L HA 0.442 4.788 4.340 0.009 0.000 0.252 136 L C -2.330 174.425 176.870 -0.192 0.000 1.105 136 L CA -1.470 53.272 54.840 -0.164 0.000 0.943 136 L CB 1.385 43.347 42.059 -0.162 0.000 1.277 136 L HN 0.334 nan 8.230 nan 0.000 0.465 137 P HA 0.182 nan 4.420 nan 0.000 0.278 137 P C -0.906 176.173 177.300 -0.368 0.000 1.238 137 P CA -0.171 62.772 63.100 -0.262 0.000 0.794 137 P CB 1.958 33.496 31.700 -0.270 0.000 0.955 138 V N 3.704 123.411 119.914 -0.345 0.000 2.448 138 V HA 0.183 4.309 4.120 0.009 0.000 0.295 138 V C 0.453 176.331 176.094 -0.361 0.000 1.025 138 V CA -0.579 61.509 62.300 -0.352 0.000 0.859 138 V CB 0.944 32.637 31.823 -0.218 0.000 0.988 138 V HN 0.542 nan 8.190 nan 0.000 0.431 139 H N 4.594 123.604 119.070 -0.101 0.000 2.855 139 H HA 0.245 4.807 4.556 0.010 0.000 0.238 139 H C 0.032 175.318 175.328 -0.071 0.000 1.847 139 H CA -0.454 55.562 56.048 -0.054 0.000 1.368 139 H CB 0.447 30.184 29.762 -0.041 0.000 1.758 139 H HN 0.384 nan 8.280 nan 0.000 0.546 140 L N 2.093 123.264 121.223 -0.087 0.000 2.490 140 L HA -0.107 4.238 4.340 0.009 0.000 0.274 140 L C 0.167 176.958 176.870 -0.131 0.000 1.201 140 L CA 0.422 55.096 54.840 -0.276 0.000 0.869 140 L CB -0.123 41.570 42.059 -0.610 0.000 1.123 140 L HN 0.486 nan 8.230 nan 0.000 0.484 141 Y N 2.137 122.523 120.300 0.143 0.000 4.851 141 Y HA -0.221 4.334 4.550 0.009 0.000 0.235 141 Y C 1.471 177.485 175.900 0.191 0.000 0.998 141 Y CA 1.108 59.335 58.100 0.212 0.000 1.980 141 Y CB -2.219 36.356 38.460 0.192 0.000 1.561 141 Y HN 0.909 nan 8.280 nan 0.000 0.585 142 G N -1.580 107.356 108.800 0.227 0.000 2.163 142 G HA2 -0.246 3.719 3.960 0.009 0.000 0.213 142 G HA3 -0.246 3.719 3.960 0.009 0.000 0.213 142 G C -0.221 174.574 174.900 -0.174 0.000 0.991 142 G CA -0.023 45.116 45.100 0.066 0.000 0.653 142 G HN 0.665 nan 8.290 nan 0.000 0.518 143 H N 1.102 120.154 119.070 -0.029 0.000 2.519 143 H HA 0.360 4.921 4.556 0.008 0.000 0.316 143 H C -2.464 172.947 175.328 0.138 0.000 1.065 143 H CA -1.425 54.606 56.048 -0.027 0.000 1.264 143 H CB 1.909 31.583 29.762 -0.146 0.000 1.413 143 H HN 0.110 nan 8.280 nan 0.000 0.465 144 P HA 0.094 nan 4.420 nan 0.000 0.275 144 P C -0.320 177.247 177.300 0.445 0.000 1.227 144 P CA -0.263 62.992 63.100 0.257 0.000 0.781 144 P CB 0.821 32.565 31.700 0.073 0.000 0.906 145 A N 2.143 125.282 122.820 0.532 0.000 2.280 145 A HA 0.189 4.515 4.320 0.009 0.000 0.268 145 A C 0.355 178.007 177.584 0.113 0.000 1.111 145 A CA -0.134 52.070 52.037 0.278 0.000 0.814 145 A CB -0.205 18.848 19.000 0.088 0.000 1.093 145 A HN 0.480 nan 8.150 nan 0.000 0.498 146 D N 1.149 121.609 120.400 0.100 0.000 2.470 146 D HA 0.146 4.792 4.640 0.009 0.000 0.226 146 D C 1.071 177.269 176.300 -0.171 0.000 1.196 146 D CA -0.212 53.816 54.000 0.046 0.000 0.979 146 D CB -0.049 40.845 40.800 0.157 0.000 1.059 146 D HN 0.284 nan 8.370 nan 0.000 0.515 147 M N 1.612 120.824 119.600 -0.646 0.000 2.117 147 M HA -0.130 4.356 4.480 0.009 0.000 0.262 147 M C 1.246 177.399 176.300 -0.246 0.000 1.065 147 M CA 1.155 56.132 55.300 -0.539 0.000 1.114 147 M CB -0.641 31.482 32.600 -0.794 0.000 1.361 147 M HN 0.280 nan 8.290 nan 0.000 0.408 148 D N 0.554 120.889 120.400 -0.108 0.000 2.092 148 D HA -0.088 4.557 4.640 0.009 0.000 0.193 148 D C 2.048 178.374 176.300 0.045 0.000 0.994 148 D CA 1.924 55.977 54.000 0.089 0.000 0.828 148 D CB -0.204 40.741 40.800 0.243 0.000 0.963 148 D HN 0.330 nan 8.370 nan 0.000 0.450 149 A N 0.469 123.319 122.820 0.050 0.000 1.883 149 A HA -0.150 4.175 4.320 0.009 0.000 0.217 149 A C 2.430 180.020 177.584 0.010 0.000 1.186 149 A CA 1.188 53.248 52.037 0.038 0.000 0.624 149 A CB -0.909 18.123 19.000 0.053 0.000 0.822 149 A HN 0.244 nan 8.150 nan 0.000 0.444 150 L N -1.113 120.098 121.223 -0.021 0.000 2.046 150 L HA -0.218 4.128 4.340 0.009 0.000 0.208 150 L C 2.901 179.755 176.870 -0.027 0.000 1.077 150 L CA 1.621 56.437 54.840 -0.039 0.000 0.747 150 L CB -0.534 41.483 42.059 -0.070 0.000 0.896 150 L HN 0.363 nan 8.230 nan 0.000 0.432 151 R N 0.195 120.679 120.500 -0.026 0.000 2.066 151 R HA -0.214 4.131 4.340 0.009 0.000 0.232 151 R C 2.237 178.543 176.300 0.009 0.000 1.131 151 R CA 1.681 57.775 56.100 -0.010 0.000 0.955 151 R CB -0.421 29.875 30.300 -0.007 0.000 0.851 151 R HN 0.436 nan 8.270 nan 0.000 0.432 152 E N 1.139 121.349 120.200 0.018 0.000 2.065 152 E HA -0.261 4.094 4.350 0.009 0.000 0.201 152 E C 1.859 178.486 176.600 0.045 0.000 1.016 152 E CA 1.452 57.867 56.400 0.026 0.000 0.818 152 E CB -0.284 29.434 29.700 0.030 0.000 0.749 152 E HN 0.111 nan 8.360 nan 0.000 0.453 153 L N 0.752 122.010 121.223 0.058 0.000 2.012 153 L HA -0.121 4.224 4.340 0.009 0.000 0.210 153 L C 2.493 179.474 176.870 0.185 0.000 1.073 153 L CA 2.299 57.211 54.840 0.120 0.000 0.748 153 L CB -1.274 40.804 42.059 0.031 0.000 0.891 153 L HN 0.382 nan 8.230 nan 0.000 0.431 154 A N -0.926 121.934 122.820 0.066 0.000 1.858 154 A HA -0.228 4.097 4.320 0.009 0.000 0.216 154 A C 2.006 179.616 177.584 0.044 0.000 1.190 154 A CA 1.846 53.908 52.037 0.041 0.000 0.617 154 A CB -0.873 18.124 19.000 -0.005 0.000 0.827 154 A HN 0.484 nan 8.150 nan 0.000 0.443 155 D N -0.619 119.794 120.400 0.021 0.000 2.158 155 D HA -0.167 4.479 4.640 0.009 0.000 0.197 155 D C 2.111 178.397 176.300 -0.023 0.000 0.995 155 D CA 1.349 55.346 54.000 -0.005 0.000 0.846 155 D CB -0.307 40.490 40.800 -0.005 0.000 0.941 155 D HN 0.448 nan 8.370 nan 0.000 0.456 156 R N -0.610 119.879 120.500 -0.018 0.000 2.066 156 R HA -0.079 4.266 4.340 0.009 0.000 0.232 156 R C 1.788 177.935 176.300 -0.255 0.000 1.131 156 R CA 1.083 57.093 56.100 -0.151 0.000 0.955 156 R CB -0.147 30.017 30.300 -0.226 0.000 0.851 156 R HN 0.340 nan 8.270 nan 0.000 0.432 157 H N -1.417 117.623 119.070 -0.051 0.000 2.539 157 H HA 0.255 4.817 4.556 0.009 0.000 0.267 157 H C 0.657 175.939 175.328 -0.078 0.000 0.982 157 H CA 0.535 56.548 56.048 -0.059 0.000 1.146 157 H CB 0.603 30.330 29.762 -0.059 0.000 1.382 157 H HN 0.420 nan 8.280 nan 0.000 0.577 158 G N 1.113 109.913 108.800 0.000 0.000 2.314 158 G HA2 -0.274 3.692 3.960 0.009 0.000 0.292 158 G HA3 -0.274 3.692 3.960 0.009 0.000 0.292 158 G C -0.244 174.577 174.900 -0.131 0.000 1.059 158 G CA 0.110 45.167 45.100 -0.071 0.000 0.982 158 G HN 0.307 nan 8.290 nan 0.000 0.505 159 L N 0.131 121.292 121.223 -0.104 0.000 2.334 159 L HA 0.599 4.945 4.340 0.009 0.000 0.270 159 L C 0.726 177.497 176.870 -0.165 0.000 1.018 159 L CA -1.363 53.394 54.840 -0.140 0.000 0.811 159 L CB 1.223 43.243 42.059 -0.066 0.000 1.271 159 L HN 0.182 nan 8.230 nan 0.000 0.443 160 H N 1.691 120.742 119.070 -0.031 0.000 2.495 160 H HA 0.543 5.104 4.556 0.009 0.000 0.350 160 H C -0.640 174.658 175.328 -0.050 0.000 1.202 160 H CA -0.313 55.715 56.048 -0.034 0.000 1.322 160 H CB 2.199 31.939 29.762 -0.036 0.000 1.544 160 H HN 0.334 nan 8.280 nan 0.000 0.565 161 I N 1.910 122.540 120.570 0.099 0.000 2.439 161 I HA 0.137 4.313 4.170 0.009 0.000 0.285 161 I C -0.647 175.459 176.117 -0.017 0.000 1.021 161 I CA -0.624 60.681 61.300 0.009 0.000 1.091 161 I CB 1.918 39.907 38.000 -0.019 0.000 1.242 161 I HN 0.044 nan 8.210 nan 0.000 0.439 162 V N 6.071 125.953 119.914 -0.054 0.000 2.350 162 V HA 0.287 4.413 4.120 0.009 0.000 0.285 162 V C -0.070 175.951 176.094 -0.122 0.000 1.014 162 V CA -0.639 61.614 62.300 -0.079 0.000 0.831 162 V CB 1.574 33.348 31.823 -0.082 0.000 1.000 162 V HN 0.674 nan 8.190 nan 0.000 0.433 163 E N 2.828 122.948 120.200 -0.133 0.000 2.283 163 E HA 0.227 4.583 4.350 0.009 0.000 0.278 163 E C -0.636 175.816 176.600 -0.247 0.000 1.027 163 E CA -0.429 55.848 56.400 -0.203 0.000 0.843 163 E CB 1.178 30.811 29.700 -0.111 0.000 1.062 163 E HN 0.564 nan 8.360 nan 0.000 0.401 164 D N 2.373 122.600 120.400 -0.289 0.000 2.456 164 D HA 0.209 4.855 4.640 0.009 0.000 0.219 164 D C -0.515 175.618 176.300 -0.278 0.000 1.126 164 D CA -0.308 53.537 54.000 -0.258 0.000 0.890 164 D CB 0.735 41.420 40.800 -0.191 0.000 1.025 164 D HN 0.463 nan 8.370 nan 0.000 0.511 165 A N 3.076 125.664 122.820 -0.387 0.000 2.545 165 A HA 0.464 4.790 4.320 0.009 0.000 0.277 165 A C 1.737 179.076 177.584 -0.408 0.000 1.301 165 A CA 0.312 52.120 52.037 -0.382 0.000 0.935 165 A CB 0.090 18.633 19.000 -0.762 0.000 1.093 165 A HN 0.522 nan 8.150 nan 0.000 0.519 166 A N -0.167 122.483 122.820 -0.283 0.000 2.076 166 A HA -0.171 4.154 4.320 0.009 0.000 0.220 166 A C 1.679 179.238 177.584 -0.042 0.000 1.160 166 A CA 1.576 53.526 52.037 -0.144 0.000 0.653 166 A CB -0.223 18.721 19.000 -0.092 0.000 0.801 166 A HN 0.609 nan 8.150 nan 0.000 0.455 167 Q N -2.030 117.719 119.800 -0.084 0.000 2.155 167 Q HA 0.462 4.808 4.340 0.009 0.000 0.220 167 Q C 0.388 176.468 176.000 0.133 0.000 0.819 167 Q CA 0.385 56.110 55.803 -0.130 0.000 1.032 167 Q CB 0.785 29.430 28.738 -0.154 0.000 1.151 167 Q HN 0.524 nan 8.270 nan 0.000 0.487 168 A N -0.058 122.864 122.820 0.170 0.000 2.594 168 A HA 0.217 4.542 4.320 0.009 0.000 0.292 168 A C -0.847 176.951 177.584 0.357 0.000 1.026 168 A CA -0.496 51.670 52.037 0.214 0.000 0.983 168 A CB -0.147 18.925 19.000 0.121 0.000 1.233 168 A HN 0.281 nan 8.150 nan 0.000 0.519 169 H N -0.042 119.309 119.070 0.469 0.000 3.145 169 H HA 0.342 4.904 4.556 0.009 0.000 0.288 169 H C 1.541 177.136 175.328 0.445 0.000 0.969 169 H CA 1.696 58.082 56.048 0.563 0.000 1.444 169 H CB 0.234 30.301 29.762 0.508 0.000 1.500 169 H HN 0.712 nan 8.280 nan 0.000 0.552 170 G N 1.463 110.565 108.800 0.504 0.000 2.195 170 G HA2 -0.253 3.713 3.960 0.009 0.000 0.246 170 G HA3 -0.253 3.713 3.960 0.009 0.000 0.246 170 G C 0.668 175.646 174.900 0.131 0.000 0.984 170 G CA -0.070 45.217 45.100 0.311 0.000 0.633 170 G HN 0.949 nan 8.290 nan 0.000 0.525 171 A N 0.005 122.906 122.820 0.135 0.000 2.448 171 A HA 0.704 5.030 4.320 0.009 0.000 0.239 171 A C 0.749 178.332 177.584 -0.002 0.000 1.080 171 A CA 0.645 52.709 52.037 0.045 0.000 0.779 171 A CB 0.284 19.284 19.000 0.000 0.000 1.026 171 A HN 0.609 nan 8.150 nan 0.000 0.499 172 R N -0.728 119.770 120.500 -0.004 0.000 2.750 172 R HA 0.487 4.833 4.340 0.009 0.000 0.281 172 R C -1.814 174.512 176.300 0.044 0.000 0.972 172 R CA -0.493 55.606 56.100 -0.000 0.000 0.912 172 R CB 1.986 32.274 30.300 -0.020 0.000 1.187 172 R HN 0.754 nan 8.270 nan 0.000 0.464 173 Y N 1.544 121.804 120.300 -0.067 0.000 2.326 173 Y HA 0.264 4.821 4.550 0.012 0.000 0.329 173 Y C -0.016 175.866 175.900 -0.031 0.000 0.973 173 Y CA -0.575 57.497 58.100 -0.047 0.000 1.162 173 Y CB 1.025 39.450 38.460 -0.058 0.000 1.147 173 Y HN 0.716 nan 8.280 nan 0.000 0.456 174 R N 4.542 124.687 120.500 -0.592 0.000 3.531 174 R HA -0.220 4.126 4.340 0.009 0.000 0.280 174 R C 0.992 177.196 176.300 -0.159 0.000 1.130 174 R CA 1.081 56.933 56.100 -0.414 0.000 0.757 174 R CB -1.636 28.383 30.300 -0.468 0.000 1.218 174 R HN 1.494 nan 8.270 nan 0.000 0.454 175 G N -0.485 108.245 108.800 -0.115 0.000 2.205 175 G HA2 -0.369 3.596 3.960 0.009 0.000 0.261 175 G HA3 -0.369 3.596 3.960 0.009 0.000 0.261 175 G C 0.159 175.033 174.900 -0.044 0.000 0.980 175 G CA 0.703 45.765 45.100 -0.064 0.000 0.632 175 G HN 0.386 nan 8.290 nan 0.000 0.533 176 R N 0.604 121.091 120.500 -0.021 0.000 2.532 176 R HA 0.492 4.838 4.340 0.009 0.000 0.295 176 R C 0.600 176.887 176.300 -0.021 0.000 0.968 176 R CA -0.933 55.158 56.100 -0.015 0.000 0.916 176 R CB 1.020 31.333 30.300 0.020 0.000 1.124 176 R HN 0.236 nan 8.270 nan 0.000 0.463 177 R N 1.654 122.109 120.500 -0.074 0.000 2.734 177 R HA 0.103 4.449 4.340 0.009 0.000 0.266 177 R C 0.450 176.720 176.300 -0.049 0.000 1.044 177 R CA -0.308 55.732 56.100 -0.100 0.000 1.128 177 R CB 0.339 30.504 30.300 -0.224 0.000 1.010 177 R HN 0.353 nan 8.270 nan 0.000 0.461 178 I N 1.902 122.453 120.570 -0.031 0.000 2.587 178 I HA -0.017 4.158 4.170 0.009 0.000 0.284 178 I C 1.447 177.617 176.117 0.088 0.000 1.134 178 I CA 1.161 62.448 61.300 -0.021 0.000 1.410 178 I CB 0.113 38.070 38.000 -0.071 0.000 1.392 178 I HN 1.024 nan 8.210 nan 0.000 0.545 179 G N 4.841 113.678 108.800 0.063 0.000 2.144 179 G HA2 -0.112 3.853 3.960 0.009 0.000 0.218 179 G HA3 -0.112 3.853 3.960 0.009 0.000 0.218 179 G C 0.421 175.334 174.900 0.022 0.000 0.988 179 G CA -0.018 45.142 45.100 0.101 0.000 0.659 179 G HN 0.966 nan 8.290 nan 0.000 0.522 180 A N -0.190 122.626 122.820 -0.007 0.000 2.332 180 A HA 0.851 5.177 4.320 0.009 0.000 0.258 180 A C 1.999 179.581 177.584 -0.004 0.000 1.087 180 A CA 1.613 53.634 52.037 -0.026 0.000 0.802 180 A CB 0.198 19.179 19.000 -0.032 0.000 1.042 180 A HN 2.308 nan 8.150 nan 0.000 0.489 181 G N 0.828 109.622 108.800 -0.010 0.000 2.665 181 G HA2 -0.344 3.621 3.960 0.009 0.000 0.326 181 G HA3 -0.344 3.621 3.960 0.009 0.000 0.326 181 G C 1.434 176.348 174.900 0.023 0.000 1.231 181 G CA 1.958 47.061 45.100 0.005 0.000 0.992 181 G HN 2.283 nan 8.290 nan 0.000 0.549 182 S N 0.412 116.127 115.700 0.026 0.000 2.650 182 S HA 0.456 4.931 4.470 0.009 0.000 0.219 182 S C 1.132 175.752 174.600 0.034 0.000 0.960 182 S CA 1.084 59.305 58.200 0.034 0.000 0.925 182 S CB -0.128 63.090 63.200 0.031 0.000 0.775 182 S HN 1.023 nan 8.310 nan 0.000 0.525 183 S N 1.087 116.805 115.700 0.030 0.000 2.576 183 S HA 0.343 4.819 4.470 0.009 0.000 0.272 183 S C -0.162 174.459 174.600 0.036 0.000 1.352 183 S CA -0.404 57.813 58.200 0.028 0.000 1.021 183 S CB 1.102 64.320 63.200 0.030 0.000 0.887 183 S HN 0.305 nan 8.310 nan 0.000 0.542 184 V N 1.953 121.879 119.914 0.021 0.000 2.340 184 V HA 0.630 4.756 4.120 0.009 0.000 0.277 184 V C -0.108 175.980 176.094 -0.010 0.000 1.017 184 V CA -0.442 61.866 62.300 0.012 0.000 0.820 184 V CB 0.578 32.393 31.823 -0.013 0.000 1.028 184 V HN 0.944 nan 8.190 nan 0.000 0.436 185 A N 3.698 126.525 122.820 0.011 0.000 2.371 185 A HA 0.978 5.304 4.320 0.009 0.000 0.311 185 A C -0.152 177.359 177.584 -0.122 0.000 1.068 185 A CA -0.342 51.636 52.037 -0.097 0.000 0.744 185 A CB 1.741 20.657 19.000 -0.140 0.000 1.239 185 A HN 1.137 nan 8.150 nan 0.000 0.435 186 A N 1.503 124.149 122.820 -0.290 0.000 2.304 186 A HA 0.838 5.163 4.320 0.009 0.000 0.323 186 A C -0.971 176.323 177.584 -0.483 0.000 1.195 186 A CA -0.271 51.640 52.037 -0.209 0.000 0.826 186 A CB 0.172 19.090 19.000 -0.136 0.000 1.184 186 A HN 0.686 nan 8.150 nan 0.000 0.496 187 F N 0.545 120.432 119.950 -0.104 0.000 2.579 187 F HA 0.667 5.199 4.527 0.009 0.000 0.324 187 F C 0.732 176.288 175.800 -0.407 0.000 1.058 187 F CA -0.409 57.433 58.000 -0.264 0.000 0.944 187 F CB 2.446 41.312 39.000 -0.223 0.000 1.245 187 F HN 0.510 nan 8.300 nan 0.000 0.477 188 S N 0.536 116.166 115.700 -0.117 0.000 2.537 188 S HA 0.614 5.090 4.470 0.009 0.000 0.301 188 S C -0.684 173.851 174.600 -0.109 0.000 1.092 188 S CA -0.404 57.714 58.200 -0.137 0.000 1.048 188 S CB 0.536 63.758 63.200 0.037 0.000 1.053 188 S HN 0.432 nan 8.310 nan 0.000 0.501 189 F N 2.635 122.720 119.950 0.225 0.000 2.735 189 F HA 0.299 4.831 4.527 0.009 0.000 0.304 189 F C 0.151 175.985 175.800 0.057 0.000 1.119 189 F CA -1.180 56.865 58.000 0.075 0.000 1.280 189 F CB -0.742 38.212 39.000 -0.076 0.000 0.994 189 F HN 0.679 nan 8.300 nan 0.000 0.520 190 Y N 4.389 124.761 120.300 0.119 0.000 2.811 190 Y HA 0.057 4.613 4.550 0.009 0.000 0.334 190 Y C -1.284 174.663 175.900 0.078 0.000 1.247 190 Y CA -1.664 56.486 58.100 0.083 0.000 1.526 190 Y CB 0.691 39.191 38.460 0.067 0.000 1.284 190 Y HN -0.071 nan 8.280 nan 0.000 0.586 191 P HA -0.223 nan 4.420 nan 0.000 0.219 191 P C 1.068 178.275 177.300 -0.155 0.000 1.153 191 P CA 2.571 65.457 63.100 -0.357 0.000 0.865 191 P CB -0.069 31.415 31.700 -0.360 0.000 0.788 192 G N -1.963 106.781 108.800 -0.093 0.000 2.985 192 G HA2 -0.029 3.936 3.960 0.009 0.000 0.209 192 G HA3 -0.029 3.936 3.960 0.009 0.000 0.209 192 G C 0.603 175.754 174.900 0.418 0.000 1.165 192 G CA -0.042 45.211 45.100 0.254 0.000 0.776 192 G HN 0.157 nan 8.290 nan 0.000 0.541 193 K N 0.405 121.034 120.400 0.381 0.000 2.118 193 K HA 0.190 4.516 4.320 0.009 0.000 0.240 193 K C 0.893 177.660 176.600 0.277 0.000 1.035 193 K CA -0.701 55.798 56.287 0.352 0.000 0.899 193 K CB 0.316 32.984 32.500 0.280 0.000 1.085 193 K HN -0.152 nan 8.250 nan 0.000 0.498 194 N N -0.093 118.789 118.700 0.302 0.000 2.205 194 N HA -0.157 4.589 4.740 0.009 0.000 0.186 194 N C 0.025 175.581 175.510 0.077 0.000 1.015 194 N CA 0.828 54.032 53.050 0.258 0.000 0.862 194 N CB -0.038 38.658 38.487 0.349 0.000 0.986 194 N HN 0.194 nan 8.380 nan 0.000 0.429 195 L N 0.290 121.373 121.223 -0.234 0.000 2.366 195 L HA 0.610 4.956 4.340 0.009 0.000 0.266 195 L C 0.001 176.799 176.870 -0.120 0.000 1.010 195 L CA -0.520 54.160 54.840 -0.266 0.000 0.879 195 L CB 0.853 42.667 42.059 -0.408 0.000 1.228 195 L HN -0.008 nan 8.230 nan 0.000 0.439 196 G N 2.328 111.083 108.800 -0.075 0.000 2.685 196 G HA2 0.698 4.663 3.960 0.009 0.000 0.298 196 G HA3 0.698 4.663 3.960 0.009 0.000 0.298 196 G C -0.649 174.089 174.900 -0.269 0.000 1.277 196 G CA -0.078 44.975 45.100 -0.078 0.000 0.986 196 G HN 0.861 nan 8.290 nan 0.000 0.487 197 C N -2.833 116.268 119.300 -0.332 0.000 3.455 197 C HA 0.774 5.239 4.460 0.009 0.000 0.357 197 C C 0.156 174.729 174.990 -0.696 0.000 3.109 197 C CA -0.944 57.731 59.018 -0.571 0.000 1.483 197 C CB 0.029 27.543 27.740 -0.377 0.000 3.542 197 C HN 0.523 nan 8.230 nan 0.000 0.511 198 F N 1.546 121.432 119.950 -0.107 0.000 2.837 198 F HA 0.614 5.147 4.527 0.010 0.000 0.298 198 F C 1.134 176.876 175.800 -0.097 0.000 1.161 198 F CA 0.614 58.544 58.000 -0.117 0.000 1.353 198 F CB 0.261 39.174 39.000 -0.146 0.000 0.951 198 F HN 1.161 nan 8.300 nan 0.000 0.508 199 G N -1.161 107.639 108.800 0.001 0.000 2.341 199 G HA2 0.113 4.078 3.960 0.009 0.000 0.299 199 G HA3 0.113 4.078 3.960 0.009 0.000 0.299 199 G C -1.948 172.962 174.900 0.017 0.000 1.274 199 G CA -0.869 44.239 45.100 0.014 0.000 0.853 199 G HN -0.165 nan 8.290 nan 0.000 0.493 200 D N -0.095 120.345 120.400 0.066 0.000 2.313 200 D HA 0.593 5.239 4.640 0.009 0.000 0.247 200 D C 0.489 176.857 176.300 0.114 0.000 1.094 200 D CA 1.231 55.303 54.000 0.119 0.000 0.925 200 D CB 1.589 42.469 40.800 0.133 0.000 1.188 200 D HN 0.961 nan 8.370 nan 0.000 0.430 201 G N -1.268 107.622 108.800 0.150 0.000 2.368 201 G HA2 0.560 4.526 3.960 0.009 0.000 0.293 201 G HA3 0.560 4.526 3.960 0.009 0.000 0.293 201 G C -1.003 173.977 174.900 0.134 0.000 1.467 201 G CA -0.158 45.055 45.100 0.189 0.000 0.804 201 G HN 0.674 nan 8.290 nan 0.000 0.535 202 G N -1.613 107.256 108.800 0.115 0.000 2.488 202 G HA2 1.002 4.968 3.960 0.009 0.000 0.301 202 G HA3 1.002 4.968 3.960 0.009 0.000 0.301 202 G C -1.084 173.812 174.900 -0.008 0.000 1.339 202 G CA 0.536 45.473 45.100 -0.273 0.000 0.803 202 G HN 2.242 nan 8.290 nan 0.000 0.482 203 A N -1.449 121.363 122.820 -0.013 0.000 2.608 203 A HA 0.819 5.144 4.320 0.009 0.000 0.292 203 A C -1.614 176.165 177.584 0.324 0.000 1.066 203 A CA -0.443 51.770 52.037 0.294 0.000 0.676 203 A CB 1.566 20.915 19.000 0.581 0.000 1.277 203 A HN 1.695 nan 8.150 nan 0.000 0.413 204 V N 0.942 121.038 119.914 0.303 0.000 2.604 204 V HA 0.702 4.828 4.120 0.009 0.000 0.305 204 V C -0.151 176.120 176.094 0.295 0.000 1.043 204 V CA -0.484 61.969 62.300 0.255 0.000 0.888 204 V CB 1.556 33.456 31.823 0.129 0.000 0.995 204 V HN 1.386 nan 8.190 nan 0.000 0.429 205 V N 1.226 121.320 119.914 0.300 0.000 2.628 205 V HA 1.010 5.136 4.120 0.009 0.000 0.306 205 V C -0.411 175.777 176.094 0.156 0.000 1.045 205 V CA -0.248 62.191 62.300 0.231 0.000 0.905 205 V CB 1.722 33.665 31.823 0.200 0.000 0.997 205 V HN 0.998 nan 8.190 nan 0.000 0.436 206 T N 1.862 116.503 114.554 0.146 0.000 2.830 206 T HA 0.606 4.961 4.350 0.009 0.000 0.322 206 T C 0.582 175.394 174.700 0.187 0.000 1.501 206 T CA 0.249 62.417 62.100 0.114 0.000 1.036 206 T CB 1.608 70.511 68.868 0.058 0.000 1.379 206 T HN 1.356 nan 8.240 nan 0.000 0.493 207 G N 1.119 110.004 108.800 0.141 0.000 3.189 207 G HA2 0.203 4.169 3.960 0.009 0.000 0.225 207 G HA3 0.203 4.169 3.960 0.009 0.000 0.225 207 G C 0.044 175.052 174.900 0.180 0.000 1.159 207 G CA -0.055 45.150 45.100 0.175 0.000 0.763 207 G HN 0.654 nan 8.290 nan 0.000 0.549 208 D N 0.716 121.167 120.400 0.086 0.000 2.373 208 D HA 0.254 4.900 4.640 0.009 0.000 0.227 208 D C -1.120 175.055 176.300 -0.209 0.000 1.091 208 D CA -2.402 51.589 54.000 -0.015 0.000 0.840 208 D CB 2.444 43.231 40.800 -0.021 0.000 1.060 208 D HN -0.027 nan 8.370 nan 0.000 0.502 209 P HA -0.184 nan 4.420 nan 0.000 0.215 209 P C 1.085 178.252 177.300 -0.221 0.000 1.153 209 P CA 1.064 63.976 63.100 -0.313 0.000 0.853 209 P CB 0.564 32.247 31.700 -0.028 0.000 0.788 210 E N -0.065 120.067 120.200 -0.114 0.000 2.047 210 E HA -0.156 4.200 4.350 0.009 0.000 0.191 210 E C 1.984 178.532 176.600 -0.087 0.000 0.987 210 E CA 0.745 57.100 56.400 -0.075 0.000 0.799 210 E CB -1.297 28.379 29.700 -0.039 0.000 0.752 210 E HN 0.012 nan 8.360 nan 0.000 0.449 211 L N 0.589 121.753 121.223 -0.098 0.000 1.989 211 L HA -0.052 4.293 4.340 0.009 0.000 0.211 211 L C 2.293 179.102 176.870 -0.103 0.000 1.071 211 L CA 2.416 57.203 54.840 -0.088 0.000 0.749 211 L CB -1.296 40.716 42.059 -0.079 0.000 0.890 211 L HN 0.212 nan 8.230 nan 0.000 0.431 212 A N -0.749 121.961 122.820 -0.185 0.000 1.903 212 A HA -0.332 3.994 4.320 0.009 0.000 0.219 212 A C 2.293 179.817 177.584 -0.099 0.000 1.191 212 A CA 2.133 54.057 52.037 -0.187 0.000 0.638 212 A CB -0.890 17.828 19.000 -0.469 0.000 0.823 212 A HN 0.587 nan 8.150 nan 0.000 0.451 213 E N -0.309 119.828 120.200 -0.105 0.000 2.077 213 E HA -0.165 4.191 4.350 0.009 0.000 0.193 213 E C 2.215 178.800 176.600 -0.024 0.000 0.989 213 E CA 1.399 57.771 56.400 -0.046 0.000 0.800 213 E CB -0.154 29.524 29.700 -0.036 0.000 0.746 213 E HN 0.610 nan 8.360 nan 0.000 0.452 214 R N -0.172 120.308 120.500 -0.033 0.000 2.091 214 R HA -0.119 4.227 4.340 0.009 0.000 0.238 214 R C 2.516 178.811 176.300 -0.008 0.000 1.136 214 R CA 1.458 57.547 56.100 -0.018 0.000 0.959 214 R CB -0.467 29.817 30.300 -0.027 0.000 0.856 214 R HN 0.258 nan 8.270 nan 0.000 0.437 215 L N 0.199 121.414 121.223 -0.012 0.000 2.017 215 L HA -0.192 4.153 4.340 0.009 0.000 0.208 215 L C 2.629 179.511 176.870 0.020 0.000 1.073 215 L CA 1.480 56.322 54.840 0.005 0.000 0.745 215 L CB -0.400 41.666 42.059 0.012 0.000 0.894 215 L HN 0.152 nan 8.230 nan 0.000 0.432 216 R N -0.520 119.994 120.500 0.023 0.000 2.105 216 R HA -0.172 4.174 4.340 0.009 0.000 0.239 216 R C 2.300 178.622 176.300 0.035 0.000 1.135 216 R CA 1.559 57.681 56.100 0.036 0.000 0.967 216 R CB -0.283 30.038 30.300 0.036 0.000 0.861 216 R HN 0.372 nan 8.270 nan 0.000 0.442 217 M N 0.010 119.627 119.600 0.028 0.000 2.156 217 M HA -0.117 4.369 4.480 0.009 0.000 0.264 217 M C 2.167 178.493 176.300 0.043 0.000 1.067 217 M CA 1.450 56.774 55.300 0.040 0.000 1.131 217 M CB -0.175 32.445 32.600 0.033 0.000 1.368 217 M HN 0.112 nan 8.290 nan 0.000 0.416 218 L N 0.276 121.512 121.223 0.023 0.000 2.083 218 L HA -0.203 4.143 4.340 0.009 0.000 0.209 218 L C 2.652 179.510 176.870 -0.020 0.000 1.083 218 L CA 1.380 56.224 54.840 0.006 0.000 0.752 218 L CB -0.576 41.481 42.059 -0.003 0.000 0.899 218 L HN 0.374 nan 8.230 nan 0.000 0.433 219 R N -0.685 119.810 120.500 -0.007 0.000 2.236 219 R HA -0.072 4.274 4.340 0.009 0.000 0.208 219 R C 0.896 177.170 176.300 -0.043 0.000 1.036 219 R CA 1.010 57.096 56.100 -0.023 0.000 1.001 219 R CB -0.323 29.988 30.300 0.018 0.000 0.896 219 R HN 0.130 nan 8.270 nan 0.000 0.464 220 N N 0.043 118.746 118.700 0.003 0.000 2.660 220 N HA 0.072 4.817 4.740 0.009 0.000 0.316 220 N C -1.355 174.278 175.510 0.205 0.000 1.774 220 N CA -0.741 52.354 53.050 0.074 0.000 0.946 220 N CB -0.229 38.318 38.487 0.100 0.000 1.322 220 N HN 0.303 nan 8.380 nan 0.000 0.492 221 Y N -0.607 119.761 120.300 0.113 0.000 3.825 221 Y HA -0.279 4.277 4.550 0.010 0.000 0.221 221 Y C 1.345 177.384 175.900 0.231 0.000 1.195 221 Y CA 0.785 58.988 58.100 0.173 0.000 1.699 221 Y CB -1.507 37.109 38.460 0.260 0.000 1.531 221 Y HN 0.445 nan 8.280 nan 0.000 0.640 222 G N 0.211 109.143 108.800 0.220 0.000 2.273 222 G HA2 -0.211 3.755 3.960 0.009 0.000 0.280 222 G HA3 -0.211 3.755 3.960 0.009 0.000 0.280 222 G C -0.006 174.979 174.900 0.142 0.000 1.047 222 G CA 0.574 45.775 45.100 0.168 0.000 0.869 222 G HN 0.560 nan 8.290 nan 0.000 0.502 223 S N -1.349 114.422 115.700 0.118 0.000 2.536 223 S HA 0.729 5.205 4.470 0.009 0.000 0.298 223 S C 1.104 175.714 174.600 0.017 0.000 1.083 223 S CA -0.233 57.983 58.200 0.028 0.000 0.995 223 S CB 1.401 64.609 63.200 0.015 0.000 1.058 223 S HN 0.687 nan 8.310 nan 0.000 0.488 224 R N 1.655 122.147 120.500 -0.014 0.000 2.517 224 R HA 0.340 4.686 4.340 0.009 0.000 0.265 224 R C 0.177 176.458 176.300 -0.031 0.000 0.921 224 R CA -0.266 55.828 56.100 -0.010 0.000 1.054 224 R CB 0.404 30.703 30.300 -0.002 0.000 1.340 224 R HN 0.517 nan 8.270 nan 0.000 0.551 225 Q N 1.866 121.631 119.800 -0.058 0.000 2.323 225 Q HA 0.281 4.627 4.340 0.009 0.000 0.271 225 Q C -1.443 174.476 176.000 -0.135 0.000 1.048 225 Q CA -0.860 54.896 55.803 -0.078 0.000 0.792 225 Q CB 2.516 31.218 28.738 -0.060 0.000 1.280 225 Q HN 0.066 nan 8.270 nan 0.000 0.441 226 K N 3.084 123.374 120.400 -0.184 0.000 2.472 226 K HA -0.075 4.250 4.320 0.009 0.000 0.280 226 K C -0.905 175.493 176.600 -0.336 0.000 1.028 226 K CA 0.788 56.864 56.287 -0.352 0.000 1.045 226 K CB 0.038 32.221 32.500 -0.528 0.000 0.902 226 K HN 0.823 nan 8.250 nan 0.000 0.478 227 Y N -0.119 120.069 120.300 -0.187 0.000 4.879 227 Y HA -0.289 4.267 4.550 0.009 0.000 0.247 227 Y C 0.071 175.750 175.900 -0.368 0.000 0.985 227 Y CA 0.276 58.252 58.100 -0.205 0.000 2.000 227 Y CB -1.664 36.782 38.460 -0.024 0.000 1.519 227 Y HN 0.523 nan 8.280 nan 0.000 0.613 228 S N 1.293 116.778 115.700 -0.358 0.000 2.475 228 S HA 0.267 4.743 4.470 0.009 0.000 0.249 228 S C -0.214 174.184 174.600 -0.337 0.000 1.298 228 S CA -0.629 57.427 58.200 -0.240 0.000 1.125 228 S CB -0.018 63.123 63.200 -0.100 0.000 1.054 228 S HN 0.269 nan 8.310 nan 0.000 0.484 229 H N 3.664 122.785 119.070 0.085 0.000 3.092 229 H HA 0.158 4.720 4.556 0.009 0.000 0.263 229 H C 0.989 176.355 175.328 0.063 0.000 1.611 229 H CA -0.015 56.084 56.048 0.086 0.000 1.457 229 H CB 0.250 30.065 29.762 0.089 0.000 1.731 229 H HN 0.706 nan 8.280 nan 0.000 0.532 230 E N 1.312 121.569 120.200 0.094 0.000 2.153 230 E HA -0.085 4.271 4.350 0.009 0.000 0.194 230 E C 0.725 177.372 176.600 0.079 0.000 0.988 230 E CA 1.188 57.629 56.400 0.068 0.000 0.811 230 E CB 0.441 30.163 29.700 0.037 0.000 0.746 230 E HN 0.600 nan 8.360 nan 0.000 0.466 231 T N -2.400 112.214 114.554 0.101 0.000 2.841 231 T HA 0.365 4.721 4.350 0.009 0.000 0.296 231 T C -0.767 173.999 174.700 0.109 0.000 1.166 231 T CA -1.136 61.014 62.100 0.084 0.000 1.007 231 T CB 1.967 70.869 68.868 0.058 0.000 1.253 231 T HN -0.238 nan 8.240 nan 0.000 0.511 232 K N 0.285 120.732 120.400 0.078 0.000 2.326 232 K HA 0.583 4.908 4.320 0.009 0.000 0.275 232 K C 0.384 177.027 176.600 0.072 0.000 1.018 232 K CA -0.170 56.163 56.287 0.077 0.000 0.962 232 K CB 0.753 33.281 32.500 0.047 0.000 0.953 232 K HN 0.867 nan 8.250 nan 0.000 0.475 233 G N 0.288 109.138 108.800 0.082 0.000 2.749 233 G HA2 0.456 4.421 3.960 0.009 0.000 0.300 233 G HA3 0.456 4.421 3.960 0.009 0.000 0.300 233 G C -1.176 173.683 174.900 -0.067 0.000 1.352 233 G CA -0.255 44.861 45.100 0.027 0.000 0.789 233 G HN 0.500 nan 8.290 nan 0.000 0.509 234 T N -1.415 113.018 114.554 -0.202 0.000 2.591 234 T HA 0.542 4.897 4.350 0.009 0.000 0.274 234 T C -1.481 172.841 174.700 -0.630 0.000 0.945 234 T CA -0.599 61.280 62.100 -0.369 0.000 1.087 234 T CB 1.732 70.496 68.868 -0.174 0.000 1.416 234 T HN 0.571 nan 8.240 nan 0.000 0.514 235 N N 1.361 119.769 118.700 -0.488 0.000 2.569 235 N HA 0.443 5.189 4.740 0.009 0.000 0.254 235 N C -1.685 173.748 175.510 -0.127 0.000 1.004 235 N CA -0.221 52.621 53.050 -0.346 0.000 0.904 235 N CB 1.180 39.521 38.487 -0.244 0.000 1.165 235 N HN 0.409 nan 8.380 nan 0.000 0.513 236 S N 3.855 119.511 115.700 -0.073 0.000 2.356 236 S HA 0.455 4.931 4.470 0.009 0.000 0.171 236 S C -0.952 173.664 174.600 0.026 0.000 1.399 236 S CA -0.714 57.478 58.200 -0.013 0.000 1.225 236 S CB -0.083 63.110 63.200 -0.011 0.000 1.271 236 S HN 0.566 nan 8.310 nan 0.000 0.427 237 R N 1.233 121.760 120.500 0.044 0.000 2.873 237 R HA 0.662 5.008 4.340 0.009 0.000 0.264 237 R C -1.246 175.103 176.300 0.083 0.000 1.026 237 R CA -1.087 55.055 56.100 0.070 0.000 1.002 237 R CB 1.183 31.526 30.300 0.072 0.000 1.174 237 R HN 0.366 nan 8.270 nan 0.000 0.488 238 L N 1.957 123.239 121.223 0.098 0.000 2.262 238 L HA 0.296 4.642 4.340 0.009 0.000 0.288 238 L C -0.909 175.997 176.870 0.061 0.000 1.035 238 L CA -0.415 54.480 54.840 0.091 0.000 0.820 238 L CB 0.864 43.002 42.059 0.132 0.000 1.204 238 L HN 0.457 nan 8.230 nan 0.000 0.424 239 D N 3.733 124.161 120.400 0.048 0.000 2.478 239 D HA -0.044 4.601 4.640 0.009 0.000 0.234 239 D C 0.978 177.297 176.300 0.032 0.000 1.154 239 D CA 0.067 54.098 54.000 0.052 0.000 0.874 239 D CB 0.857 41.686 40.800 0.049 0.000 1.198 239 D HN 0.555 nan 8.370 nan 0.000 0.455 240 E N 1.069 121.308 120.200 0.065 0.000 2.085 240 E HA -0.201 4.154 4.350 0.009 0.000 0.194 240 E C 1.821 178.441 176.600 0.033 0.000 0.994 240 E CA 0.738 57.169 56.400 0.052 0.000 0.801 240 E CB -0.134 29.615 29.700 0.081 0.000 0.743 240 E HN 0.550 nan 8.360 nan 0.000 0.453 241 M N 0.505 120.142 119.600 0.062 0.000 2.080 241 M HA -0.234 4.252 4.480 0.009 0.000 0.260 241 M C 2.027 178.325 176.300 -0.005 0.000 1.068 241 M CA 1.509 56.836 55.300 0.045 0.000 1.109 241 M CB 0.118 32.750 32.600 0.053 0.000 1.342 241 M HN -0.071 nan 8.290 nan 0.000 0.405 242 Q N -0.021 119.756 119.800 -0.037 0.000 2.083 242 Q HA -0.032 4.313 4.340 0.009 0.000 0.198 242 Q C 2.192 178.032 176.000 -0.267 0.000 0.969 242 Q CA 1.788 57.520 55.803 -0.118 0.000 0.838 242 Q CB -0.818 27.860 28.738 -0.100 0.000 0.900 242 Q HN 0.681 nan 8.270 nan 0.000 0.436 243 A N 1.275 123.943 122.820 -0.253 0.000 1.940 243 A HA -0.116 4.210 4.320 0.009 0.000 0.219 243 A C 2.345 179.752 177.584 -0.295 0.000 1.176 243 A CA 1.989 53.788 52.037 -0.397 0.000 0.631 243 A CB -0.718 18.175 19.000 -0.179 0.000 0.814 243 A HN 0.357 nan 8.150 nan 0.000 0.446 244 A N -0.501 122.238 122.820 -0.135 0.000 1.883 244 A HA -0.057 4.269 4.320 0.009 0.000 0.217 244 A C 2.248 179.772 177.584 -0.101 0.000 1.186 244 A CA 1.950 53.944 52.037 -0.073 0.000 0.624 244 A CB -1.030 17.960 19.000 -0.016 0.000 0.822 244 A HN 0.423 nan 8.150 nan 0.000 0.444 245 V N 0.036 119.875 119.914 -0.125 0.000 2.295 245 V HA -0.275 3.850 4.120 0.009 0.000 0.246 245 V C 2.566 178.506 176.094 -0.257 0.000 1.049 245 V CA 2.043 64.266 62.300 -0.129 0.000 1.024 245 V CB -0.831 30.932 31.823 -0.100 0.000 0.648 245 V HN 0.576 nan 8.190 nan 0.000 0.447 246 L N -0.517 120.434 121.223 -0.454 0.000 2.127 246 L HA -0.208 4.137 4.340 0.009 0.000 0.211 246 L C 2.759 179.435 176.870 -0.322 0.000 1.089 246 L CA 1.628 56.079 54.840 -0.649 0.000 0.757 246 L CB -0.614 40.567 42.059 -1.463 0.000 0.899 246 L HN 0.275 nan 8.230 nan 0.000 0.434 247 R N -0.056 120.343 120.500 -0.168 0.000 2.081 247 R HA -0.145 4.200 4.340 0.009 0.000 0.235 247 R C 2.263 178.546 176.300 -0.028 0.000 1.131 247 R CA 1.420 57.541 56.100 0.036 0.000 0.960 247 R CB -0.449 29.882 30.300 0.051 0.000 0.856 247 R HN 0.335 nan 8.270 nan 0.000 0.436 248 I N 0.459 120.988 120.570 -0.067 0.000 2.163 248 I HA -0.241 3.934 4.170 0.009 0.000 0.240 248 I C 2.517 178.580 176.117 -0.091 0.000 1.081 248 I CA 1.107 62.381 61.300 -0.043 0.000 1.353 248 I CB -0.221 37.749 38.000 -0.051 0.000 1.054 248 I HN 0.070 nan 8.210 nan 0.000 0.407 249 R N 0.380 120.753 120.500 -0.212 0.000 2.103 249 R HA -0.201 4.145 4.340 0.009 0.000 0.242 249 R C 2.250 178.371 176.300 -0.300 0.000 1.142 249 R CA 1.331 57.228 56.100 -0.339 0.000 0.960 249 R CB -1.113 28.996 30.300 -0.319 0.000 0.858 249 R HN 0.292 nan 8.270 nan 0.000 0.439 250 L N 1.007 122.104 121.223 -0.210 0.000 2.042 250 L HA -0.090 4.255 4.340 0.009 0.000 0.210 250 L C 2.205 178.927 176.870 -0.247 0.000 1.076 250 L CA 2.027 56.730 54.840 -0.230 0.000 0.749 250 L CB -0.758 41.237 42.059 -0.107 0.000 0.893 250 L HN 0.156 nan 8.230 nan 0.000 0.432 251 A N -2.050 120.681 122.820 -0.149 0.000 2.125 251 A HA -0.176 4.150 4.320 0.009 0.000 0.219 251 A C 1.769 179.127 177.584 -0.377 0.000 1.156 251 A CA 1.498 53.418 52.037 -0.195 0.000 0.671 251 A CB -0.821 18.089 19.000 -0.149 0.000 0.794 251 A HN 0.751 nan 8.150 nan 0.000 0.459 252 H N -2.117 116.714 119.070 -0.399 0.000 2.755 252 H HA 0.145 4.707 4.556 0.009 0.000 0.273 252 H C 1.496 176.484 175.328 -0.567 0.000 1.055 252 H CA -0.021 55.693 56.048 -0.558 0.000 1.191 252 H CB 0.368 29.525 29.762 -1.009 0.000 1.536 252 H HN 0.390 nan 8.280 nan 0.000 0.529 253 L N 1.627 122.682 121.223 -0.280 0.000 1.989 253 L HA -0.163 4.182 4.340 0.009 0.000 0.211 253 L C 1.664 178.586 176.870 0.086 0.000 1.071 253 L CA 1.804 56.582 54.840 -0.103 0.000 0.749 253 L CB -0.408 41.560 42.059 -0.152 0.000 0.890 253 L HN 0.049 nan 8.230 nan 0.000 0.431 254 D N -1.088 119.371 120.400 0.098 0.000 2.104 254 D HA -0.204 4.441 4.640 0.009 0.000 0.194 254 D C 2.448 178.839 176.300 0.152 0.000 0.994 254 D CA 1.631 55.733 54.000 0.170 0.000 0.830 254 D CB -0.277 40.623 40.800 0.166 0.000 0.959 254 D HN 0.512 nan 8.370 nan 0.000 0.452 255 S N -0.408 115.358 115.700 0.110 0.000 2.356 255 S HA -0.179 4.297 4.470 0.009 0.000 0.223 255 S C 2.005 176.803 174.600 0.330 0.000 1.032 255 S CA 1.073 59.379 58.200 0.177 0.000 1.005 255 S CB -0.583 62.703 63.200 0.144 0.000 0.867 255 S HN 0.268 nan 8.310 nan 0.000 0.449 256 W N 2.426 123.760 121.300 0.057 0.000 2.358 256 W HA 0.139 4.804 4.660 0.008 0.000 0.303 256 W C 2.375 178.918 176.519 0.040 0.000 1.208 256 W CA 0.456 57.809 57.345 0.014 0.000 1.274 256 W CB -1.542 27.922 29.460 0.006 0.000 1.138 256 W HN 0.374 nan 8.180 nan 0.000 0.515 257 N N -0.291 118.600 118.700 0.319 0.000 2.166 257 N HA -0.111 4.635 4.740 0.009 0.000 0.186 257 N C 2.029 177.671 175.510 0.219 0.000 1.019 257 N CA 1.829 55.038 53.050 0.267 0.000 0.856 257 N CB -1.141 37.507 38.487 0.268 0.000 0.993 257 N HN 0.208 nan 8.380 nan 0.000 0.426 258 G N 1.271 110.185 108.800 0.190 0.000 2.440 258 G HA2 -0.263 3.703 3.960 0.009 0.000 0.218 258 G HA3 -0.263 3.703 3.960 0.009 0.000 0.218 258 G C 1.670 176.626 174.900 0.094 0.000 1.154 258 G CA 0.522 45.706 45.100 0.140 0.000 0.767 258 G HN 0.333 nan 8.290 nan 0.000 0.552 259 R N 0.015 120.562 120.500 0.079 0.000 2.081 259 R HA 0.019 4.364 4.340 0.009 0.000 0.235 259 R C 2.767 179.046 176.300 -0.034 0.000 1.131 259 R CA 1.106 57.200 56.100 -0.010 0.000 0.960 259 R CB -0.331 29.919 30.300 -0.082 0.000 0.856 259 R HN 0.267 nan 8.270 nan 0.000 0.436 260 R N 0.489 121.006 120.500 0.029 0.000 2.091 260 R HA -0.087 4.258 4.340 0.009 0.000 0.238 260 R C 2.413 178.706 176.300 -0.011 0.000 1.136 260 R CA 1.869 57.994 56.100 0.040 0.000 0.959 260 R CB -0.265 30.148 30.300 0.189 0.000 0.856 260 R HN 0.175 nan 8.270 nan 0.000 0.437 261 S N 0.809 116.564 115.700 0.092 0.000 2.399 261 S HA -0.144 4.332 4.470 0.009 0.000 0.231 261 S C 2.076 176.628 174.600 -0.080 0.000 1.022 261 S CA 1.169 59.412 58.200 0.072 0.000 0.983 261 S CB -0.154 63.184 63.200 0.230 0.000 0.803 261 S HN 0.473 nan 8.310 nan 0.000 0.480 262 A N 1.671 124.442 122.820 -0.083 0.000 1.872 262 A HA 0.095 4.421 4.320 0.009 0.000 0.214 262 A C 2.131 179.568 177.584 -0.245 0.000 1.187 262 A CA 0.977 52.938 52.037 -0.127 0.000 0.614 262 A CB -0.709 18.230 19.000 -0.101 0.000 0.826 262 A HN 0.433 nan 8.150 nan 0.000 0.442 263 L N -0.538 120.506 121.223 -0.299 0.000 2.083 263 L HA -0.188 4.157 4.340 0.009 0.000 0.209 263 L C 3.045 179.524 176.870 -0.651 0.000 1.083 263 L CA 1.063 55.608 54.840 -0.493 0.000 0.752 263 L CB -0.525 41.275 42.059 -0.432 0.000 0.899 263 L HN 0.421 nan 8.230 nan 0.000 0.433 264 A N 0.070 122.549 122.820 -0.567 0.000 1.877 264 A HA -0.169 4.157 4.320 0.009 0.000 0.216 264 A C 2.568 179.882 177.584 -0.451 0.000 1.186 264 A CA 1.733 53.323 52.037 -0.745 0.000 0.620 264 A CB -0.803 17.231 19.000 -1.610 0.000 0.822 264 A HN 0.381 nan 8.150 nan 0.000 0.443 265 A N -0.219 122.422 122.820 -0.299 0.000 1.908 265 A HA -0.212 4.114 4.320 0.009 0.000 0.218 265 A C 1.914 179.405 177.584 -0.155 0.000 1.181 265 A CA 1.808 53.763 52.037 -0.136 0.000 0.627 265 A CB -0.610 18.346 19.000 -0.073 0.000 0.818 265 A HN 0.648 nan 8.150 nan 0.000 0.445 266 E N -1.322 118.717 120.200 -0.270 0.000 2.038 266 E HA -0.232 4.124 4.350 0.009 0.000 0.195 266 E C 1.921 178.368 176.600 -0.255 0.000 1.000 266 E CA 1.704 57.930 56.400 -0.290 0.000 0.803 266 E CB -0.368 29.085 29.700 -0.413 0.000 0.750 266 E HN 0.737 nan 8.360 nan 0.000 0.448 267 Y N 0.724 120.810 120.300 -0.357 0.000 2.128 267 Y HA -0.209 4.346 4.550 0.009 0.000 0.284 267 Y C 2.247 178.075 175.900 -0.120 0.000 1.154 267 Y CA 0.989 58.860 58.100 -0.381 0.000 1.149 267 Y CB -0.685 37.154 38.460 -1.035 0.000 0.976 267 Y HN 0.029 nan 8.280 nan 0.000 0.505 268 L N -0.694 120.605 121.223 0.126 0.000 2.042 268 L HA -0.270 4.076 4.340 0.009 0.000 0.210 268 L C 2.659 179.598 176.870 0.115 0.000 1.076 268 L CA 1.911 56.866 54.840 0.192 0.000 0.749 268 L CB -0.787 41.386 42.059 0.191 0.000 0.893 268 L HN 0.293 nan 8.230 nan 0.000 0.432 269 S N -0.200 115.532 115.700 0.053 0.000 2.362 269 S HA -0.074 4.402 4.470 0.009 0.000 0.221 269 S C 2.069 176.692 174.600 0.039 0.000 1.032 269 S CA 0.854 59.076 58.200 0.037 0.000 0.973 269 S CB -0.698 62.506 63.200 0.006 0.000 0.849 269 S HN 0.386 nan 8.310 nan 0.000 0.465 270 G N 0.854 109.670 108.800 0.027 0.000 2.509 270 G HA2 0.120 4.085 3.960 0.009 0.000 0.218 270 G HA3 0.120 4.085 3.960 0.009 0.000 0.218 270 G C 1.179 176.126 174.900 0.078 0.000 1.124 270 G CA 0.627 45.749 45.100 0.038 0.000 0.776 270 G HN 0.557 nan 8.290 nan 0.000 0.547 271 L N 0.233 121.520 121.223 0.107 0.000 2.959 271 L HA 0.423 4.769 4.340 0.009 0.000 0.259 271 L C 1.332 178.267 176.870 0.108 0.000 1.185 271 L CA -0.611 54.301 54.840 0.120 0.000 0.998 271 L CB 0.423 42.578 42.059 0.160 0.000 1.337 271 L HN 0.151 nan 8.230 nan 0.000 0.555 272 A N 0.082 122.958 122.820 0.092 0.000 2.466 272 A HA 0.423 4.748 4.320 0.009 0.000 0.238 272 A C 1.452 179.076 177.584 0.067 0.000 1.074 272 A CA 0.686 52.772 52.037 0.081 0.000 0.774 272 A CB -0.182 18.860 19.000 0.070 0.000 1.015 272 A HN 0.568 nan 8.150 nan 0.000 0.498 273 G N -0.118 108.718 108.800 0.060 0.000 2.305 273 G HA2 -0.193 3.773 3.960 0.009 0.000 0.287 273 G HA3 -0.193 3.773 3.960 0.009 0.000 0.287 273 G C -0.119 174.809 174.900 0.047 0.000 1.036 273 G CA 0.609 45.738 45.100 0.047 0.000 0.887 273 G HN 0.776 nan 8.290 nan 0.000 0.505 274 L N 0.084 121.343 121.223 0.060 0.000 2.265 274 L HA 0.273 4.618 4.340 0.009 0.000 0.289 274 L C -0.119 176.785 176.870 0.056 0.000 1.033 274 L CA -2.102 52.777 54.840 0.064 0.000 0.814 274 L CB 1.184 43.300 42.059 0.094 0.000 1.203 274 L HN -0.011 nan 8.230 nan 0.000 0.423 275 P HA -0.261 nan 4.420 nan 0.000 0.227 275 P C 0.891 178.211 177.300 0.034 0.000 0.791 275 P CA 1.592 64.703 63.100 0.019 0.000 1.075 275 P CB 0.003 31.696 31.700 -0.012 0.000 0.728 276 G N -0.950 107.880 108.800 0.051 0.000 3.678 276 G HA2 0.397 4.363 3.960 0.009 0.000 0.287 276 G HA3 0.397 4.363 3.960 0.009 0.000 0.287 276 G C 0.092 175.063 174.900 0.117 0.000 1.280 276 G CA -0.144 45.001 45.100 0.076 0.000 1.118 276 G HN 0.176 nan 8.290 nan 0.000 0.563 277 I N 1.719 122.350 120.570 0.103 0.000 2.382 277 I HA 0.322 4.497 4.170 0.009 0.000 0.285 277 I C 0.475 176.628 176.117 0.060 0.000 1.007 277 I CA -0.650 60.711 61.300 0.102 0.000 1.142 277 I CB 1.345 39.424 38.000 0.133 0.000 1.289 277 I HN 0.065 nan 8.210 nan 0.000 0.453 278 G N 7.486 116.302 108.800 0.026 0.000 2.327 278 G HA2 0.558 4.524 3.960 0.009 0.000 0.302 278 G HA3 0.558 4.524 3.960 0.009 0.000 0.302 278 G C -0.298 174.595 174.900 -0.012 0.000 1.113 278 G CA -0.394 44.704 45.100 -0.003 0.000 0.921 278 G HN 0.487 nan 8.290 nan 0.000 0.425 279 L N 3.967 125.202 121.223 0.020 0.000 2.375 279 L HA 0.351 4.697 4.340 0.009 0.000 0.271 279 L C -1.612 175.259 176.870 0.001 0.000 1.107 279 L CA -1.927 52.929 54.840 0.026 0.000 0.806 279 L CB 1.609 43.742 42.059 0.123 0.000 1.146 279 L HN 0.352 nan 8.230 nan 0.000 0.447 280 P HA 0.076 nan 4.420 nan 0.000 0.268 280 P C -0.709 176.661 177.300 0.116 0.000 1.204 280 P CA -0.133 62.957 63.100 -0.016 0.000 0.768 280 P CB 0.726 32.427 31.700 0.001 0.000 0.842 281 V N 3.297 123.234 119.914 0.038 0.000 2.539 281 V HA 0.293 4.419 4.120 0.009 0.000 0.292 281 V C 0.712 176.883 176.094 0.129 0.000 1.045 281 V CA -0.138 62.238 62.300 0.126 0.000 0.945 281 V CB 1.535 33.438 31.823 0.134 0.000 0.993 281 V HN 0.511 nan 8.190 nan 0.000 0.464 282 T N 4.204 118.912 114.554 0.257 0.000 2.853 282 T HA 0.527 4.883 4.350 0.009 0.000 0.317 282 T C 0.341 175.173 174.700 0.219 0.000 1.059 282 T CA -0.129 62.175 62.100 0.339 0.000 0.954 282 T CB 0.791 69.895 68.868 0.393 0.000 0.994 282 T HN 0.966 nan 8.240 nan 0.000 0.479 283 A N 6.217 129.147 122.820 0.183 0.000 2.555 283 A HA 0.404 4.729 4.320 0.009 0.000 0.233 283 A C -1.968 175.622 177.584 0.010 0.000 1.060 283 A CA -0.928 51.077 52.037 -0.054 0.000 0.759 283 A CB -0.257 18.531 19.000 -0.353 0.000 0.995 283 A HN 0.458 nan 8.150 nan 0.000 0.506 284 P HA 0.195 nan 4.420 nan 0.000 0.271 284 P C -0.556 176.700 177.300 -0.074 0.000 1.218 284 P CA 0.227 63.310 63.100 -0.027 0.000 0.780 284 P CB 0.471 32.150 31.700 -0.034 0.000 0.901 285 D N -2.083 118.259 120.400 -0.095 0.000 3.070 285 D HA -0.098 4.548 4.640 0.009 0.000 0.210 285 D C 0.104 176.260 176.300 -0.240 0.000 1.103 285 D CA 1.458 55.334 54.000 -0.206 0.000 0.980 285 D CB -2.026 38.574 40.800 -0.334 0.000 1.100 285 D HN 0.621 nan 8.370 nan 0.000 0.423 286 T N -2.280 112.226 114.554 -0.080 0.000 2.887 286 T HA 0.566 4.922 4.350 0.009 0.000 0.288 286 T C -0.725 173.984 174.700 0.014 0.000 1.021 286 T CA -0.752 61.344 62.100 -0.005 0.000 1.000 286 T CB 3.002 71.935 68.868 0.109 0.000 1.034 286 T HN -0.148 nan 8.240 nan 0.000 0.467 287 D N 3.895 124.299 120.400 0.005 0.000 2.404 287 D HA 0.311 4.957 4.640 0.009 0.000 0.267 287 D C -2.508 173.770 176.300 -0.038 0.000 1.194 287 D CA -1.139 52.869 54.000 0.014 0.000 0.910 287 D CB 1.816 42.628 40.800 0.020 0.000 1.090 287 D HN 0.409 nan 8.370 nan 0.000 0.511 288 P HA 0.009 nan 4.420 nan 0.000 0.274 288 P C 0.946 178.086 177.300 -0.268 0.000 1.231 288 P CA -0.354 62.471 63.100 -0.457 0.000 0.790 288 P CB 1.286 32.223 31.700 -1.271 0.000 0.951 289 V N -3.339 116.449 119.914 -0.210 0.000 3.427 289 V HA 0.272 4.398 4.120 0.009 0.000 0.305 289 V C -0.205 176.035 176.094 0.243 0.000 1.412 289 V CA -0.605 61.754 62.300 0.099 0.000 1.086 289 V CB -1.864 30.083 31.823 0.207 0.000 0.964 289 V HN 0.528 nan 8.190 nan 0.000 0.439 290 W N 1.486 122.844 121.300 0.097 0.000 7.193 290 W HA -0.240 4.424 4.660 0.007 0.000 0.423 290 W C 1.610 178.253 176.519 0.207 0.000 1.702 290 W CA 1.206 58.657 57.345 0.176 0.000 1.167 290 W CB -2.482 27.102 29.460 0.206 0.000 2.934 290 W HN 0.610 nan 8.180 nan 0.000 1.576 291 H N -0.396 118.857 119.070 0.305 0.000 2.387 291 H HA -0.019 4.542 4.556 0.009 0.000 0.299 291 H C 0.641 176.117 175.328 0.248 0.000 1.099 291 H CA 1.790 57.998 56.048 0.268 0.000 1.315 291 H CB 0.380 30.290 29.762 0.247 0.000 1.380 291 H HN 0.327 nan 8.280 nan 0.000 0.513 292 L N 0.253 121.578 121.223 0.171 0.000 2.422 292 L HA 0.216 4.562 4.340 0.009 0.000 0.264 292 L C -1.340 175.703 176.870 0.288 0.000 0.984 292 L CA -0.917 53.972 54.840 0.082 0.000 0.819 292 L CB 2.568 44.606 42.059 -0.035 0.000 1.330 292 L HN -0.029 nan 8.230 nan 0.000 0.410 293 F N 2.333 122.349 119.950 0.110 0.000 2.334 293 F HA 0.492 5.023 4.527 0.007 0.000 0.367 293 F C 0.269 176.060 175.800 -0.016 0.000 1.115 293 F CA -0.406 57.676 58.000 0.137 0.000 1.116 293 F CB 1.051 40.039 39.000 -0.020 0.000 1.230 293 F HN 0.418 nan 8.300 nan 0.000 0.484 294 T N 4.349 118.602 114.554 -0.503 0.000 2.807 294 T HA 0.697 5.053 4.350 0.009 0.000 0.279 294 T C -0.525 173.946 174.700 -0.382 0.000 0.993 294 T CA -0.696 61.170 62.100 -0.391 0.000 0.970 294 T CB 1.159 69.741 68.868 -0.476 0.000 0.950 294 T HN 0.519 nan 8.240 nan 0.000 0.441 295 V N 1.258 121.049 119.914 -0.205 0.000 2.769 295 V HA 0.818 4.943 4.120 0.009 0.000 0.312 295 V C -0.387 175.653 176.094 -0.091 0.000 1.058 295 V CA -1.358 60.869 62.300 -0.122 0.000 0.952 295 V CB 1.446 33.248 31.823 -0.035 0.000 1.019 295 V HN 1.014 nan 8.190 nan 0.000 0.445 296 R N 1.023 121.476 120.500 -0.078 0.000 2.686 296 R HA 0.816 5.161 4.340 0.009 0.000 0.286 296 R C -0.789 175.488 176.300 -0.038 0.000 0.969 296 R CA -0.371 55.678 56.100 -0.085 0.000 0.898 296 R CB 2.239 32.441 30.300 -0.163 0.000 1.183 296 R HN 1.015 nan 8.270 nan 0.000 0.456 297 T N 0.406 114.948 114.554 -0.020 0.000 2.802 297 T HA 0.183 4.539 4.350 0.009 0.000 0.311 297 T C -1.676 173.048 174.700 0.039 0.000 1.405 297 T CA -0.821 61.301 62.100 0.037 0.000 1.016 297 T CB 1.387 70.314 68.868 0.099 0.000 1.352 297 T HN 0.509 nan 8.240 nan 0.000 0.498 298 E N 2.566 122.810 120.200 0.073 0.000 2.227 298 E HA 0.470 4.825 4.350 0.009 0.000 0.282 298 E C -0.227 176.451 176.600 0.130 0.000 1.015 298 E CA -0.658 55.783 56.400 0.069 0.000 0.823 298 E CB 1.053 30.785 29.700 0.053 0.000 1.081 298 E HN 0.721 nan 8.360 nan 0.000 0.396 299 R N 1.234 121.799 120.500 0.108 0.000 3.328 299 R HA -0.145 4.200 4.340 0.009 0.000 0.287 299 R C 1.148 177.500 176.300 0.087 0.000 1.126 299 R CA 0.355 56.547 56.100 0.155 0.000 0.764 299 R CB -1.534 28.946 30.300 0.299 0.000 1.380 299 R HN 0.523 nan 8.270 nan 0.000 0.428 300 R N 1.413 121.918 120.500 0.008 0.000 2.115 300 R HA -0.118 4.227 4.340 0.009 0.000 0.230 300 R C 0.676 176.913 176.300 -0.105 0.000 1.111 300 R CA 1.920 57.973 56.100 -0.079 0.000 0.976 300 R CB 0.129 30.396 30.300 -0.055 0.000 0.870 300 R HN 0.253 nan 8.270 nan 0.000 0.445 301 D N 0.921 121.295 120.400 -0.043 0.000 2.178 301 D HA -0.126 4.519 4.640 0.009 0.000 0.202 301 D C 1.719 177.991 176.300 -0.047 0.000 0.974 301 D CA 0.999 54.973 54.000 -0.042 0.000 0.841 301 D CB -0.053 40.742 40.800 -0.009 0.000 0.953 301 D HN 0.444 nan 8.370 nan 0.000 0.478 302 E N 0.127 120.323 120.200 -0.006 0.000 2.015 302 E HA -0.149 4.207 4.350 0.009 0.000 0.191 302 E C 2.119 178.617 176.600 -0.170 0.000 0.991 302 E CA 0.372 56.812 56.400 0.066 0.000 0.802 302 E CB -0.158 29.737 29.700 0.326 0.000 0.759 302 E HN 0.101 nan 8.360 nan 0.000 0.447 303 L N 1.724 122.572 121.223 -0.625 0.000 2.081 303 L HA -0.228 4.117 4.340 0.009 0.000 0.212 303 L C 2.347 178.901 176.870 -0.527 0.000 1.080 303 L CA 1.822 55.915 54.840 -1.245 0.000 0.754 303 L CB -0.417 40.795 42.059 -1.411 0.000 0.893 303 L HN -0.026 nan 8.230 nan 0.000 0.433 304 R N -0.919 119.397 120.500 -0.306 0.000 2.070 304 R HA -0.143 4.203 4.340 0.009 0.000 0.233 304 R C 2.242 178.469 176.300 -0.122 0.000 1.137 304 R CA 1.774 57.765 56.100 -0.182 0.000 0.945 304 R CB -0.349 29.872 30.300 -0.132 0.000 0.845 304 R HN 0.488 nan 8.270 nan 0.000 0.430 305 S N -0.186 115.470 115.700 -0.074 0.000 2.383 305 S HA -0.212 4.263 4.470 0.009 0.000 0.229 305 S C 1.661 176.271 174.600 0.018 0.000 1.030 305 S CA 1.615 59.807 58.200 -0.013 0.000 1.002 305 S CB -0.564 62.654 63.200 0.031 0.000 0.829 305 S HN 0.550 nan 8.310 nan 0.000 0.467 306 H N 1.738 120.752 119.070 -0.094 0.000 2.321 306 H HA 0.047 4.609 4.556 0.009 0.000 0.300 306 H C 1.782 177.080 175.328 -0.050 0.000 1.087 306 H CA 1.594 57.614 56.048 -0.047 0.000 1.319 306 H CB -0.489 29.216 29.762 -0.094 0.000 1.379 306 H HN 0.304 nan 8.280 nan 0.000 0.501 307 L N -0.313 120.728 121.223 -0.304 0.000 2.109 307 L HA -0.092 4.253 4.340 0.009 0.000 0.207 307 L C 2.320 179.085 176.870 -0.175 0.000 1.086 307 L CA 1.355 56.017 54.840 -0.295 0.000 0.760 307 L CB -0.479 41.468 42.059 -0.186 0.000 0.910 307 L HN 0.317 nan 8.230 nan 0.000 0.437 308 D N 0.697 121.027 120.400 -0.116 0.000 2.123 308 D HA -0.206 4.440 4.640 0.009 0.000 0.196 308 D C 2.159 178.423 176.300 -0.060 0.000 0.992 308 D CA 1.595 55.555 54.000 -0.067 0.000 0.833 308 D CB 0.165 40.938 40.800 -0.045 0.000 0.954 308 D HN 0.233 nan 8.370 nan 0.000 0.455 309 A N 0.095 122.878 122.820 -0.062 0.000 1.972 309 A HA -0.114 4.212 4.320 0.009 0.000 0.219 309 A C 1.983 179.532 177.584 -0.059 0.000 1.169 309 A CA 1.027 53.045 52.037 -0.032 0.000 0.635 309 A CB -0.330 18.686 19.000 0.027 0.000 0.810 309 A HN 0.067 nan 8.150 nan 0.000 0.446 310 R N -0.646 119.771 120.500 -0.138 0.000 2.325 310 R HA 0.135 4.480 4.340 0.009 0.000 0.214 310 R C 1.088 177.346 176.300 -0.070 0.000 0.961 310 R CA 0.240 56.268 56.100 -0.120 0.000 1.086 310 R CB -1.351 28.822 30.300 -0.212 0.000 1.037 310 R HN 0.831 nan 8.270 nan 0.000 0.493 311 G N 1.439 110.207 108.800 -0.054 0.000 2.246 311 G HA2 -0.272 3.694 3.960 0.009 0.000 0.273 311 G HA3 -0.272 3.694 3.960 0.009 0.000 0.273 311 G C -0.079 174.806 174.900 -0.024 0.000 1.055 311 G CA 0.033 45.115 45.100 -0.029 0.000 0.851 311 G HN 0.323 nan 8.290 nan 0.000 0.500 312 I N 0.579 121.127 120.570 -0.036 0.000 2.418 312 I HA 0.298 4.473 4.170 0.009 0.000 0.287 312 I C -0.698 175.424 176.117 0.008 0.000 1.008 312 I CA -0.960 60.333 61.300 -0.012 0.000 1.104 312 I CB 1.593 39.573 38.000 -0.033 0.000 1.264 312 I HN -0.079 nan 8.210 nan 0.000 0.438 313 D N 5.100 125.534 120.400 0.057 0.000 2.312 313 D HA 0.338 4.983 4.640 0.009 0.000 0.252 313 D C 0.194 176.593 176.300 0.165 0.000 1.150 313 D CA 0.211 54.262 54.000 0.086 0.000 0.870 313 D CB 1.411 42.294 40.800 0.138 0.000 1.153 313 D HN 0.590 nan 8.370 nan 0.000 0.457 314 T N -0.552 114.024 114.554 0.037 0.000 2.888 314 T HA 0.825 5.181 4.350 0.009 0.000 0.288 314 T C -0.268 174.228 174.700 -0.340 0.000 1.063 314 T CA -0.897 61.200 62.100 -0.006 0.000 1.010 314 T CB 1.450 70.311 68.868 -0.013 0.000 1.214 314 T HN 0.236 nan 8.240 nan 0.000 0.533 315 L N -0.263 120.649 121.223 -0.518 0.000 2.469 315 L HA 0.622 4.967 4.340 0.009 0.000 0.256 315 L C -0.937 175.666 176.870 -0.445 0.000 1.006 315 L CA -0.965 53.499 54.840 -0.626 0.000 0.832 315 L CB 2.965 44.385 42.059 -1.066 0.000 1.421 315 L HN 0.845 nan 8.230 nan 0.000 0.410 316 T N -0.485 113.771 114.554 -0.495 0.000 2.786 316 T HA 0.450 4.806 4.350 0.009 0.000 0.283 316 T C -1.067 173.288 174.700 -0.574 0.000 0.992 316 T CA -0.433 61.456 62.100 -0.352 0.000 0.954 316 T CB 0.526 69.292 68.868 -0.169 0.000 0.934 316 T HN 0.383 nan 8.240 nan 0.000 0.440 317 H N 2.646 121.547 119.070 -0.281 0.000 2.736 317 H HA 0.466 5.028 4.556 0.009 0.000 0.271 317 H C -1.178 173.940 175.328 -0.350 0.000 1.184 317 H CA -0.384 55.188 56.048 -0.793 0.000 1.378 317 H CB 0.266 29.576 29.762 -0.752 0.000 1.428 317 H HN 0.539 nan 8.280 nan 0.000 0.500 318 Y N 1.599 122.079 120.300 0.299 0.000 2.499 318 Y HA 0.249 4.804 4.550 0.010 0.000 0.347 318 Y C -1.693 174.267 175.900 0.100 0.000 0.987 318 Y CA -2.892 55.290 58.100 0.136 0.000 1.044 318 Y CB 1.593 40.122 38.460 0.115 0.000 1.245 318 Y HN 0.365 nan 8.280 nan 0.000 0.461 319 P HA -0.074 nan 4.420 nan 0.000 0.222 319 P C -0.151 177.198 177.300 0.082 0.000 1.147 319 P CA 1.141 64.294 63.100 0.087 0.000 0.790 319 P CB 0.712 32.432 31.700 0.033 0.000 0.780 320 V N 1.943 121.908 119.914 0.085 0.000 2.623 320 V HA 0.308 4.434 4.120 0.009 0.000 0.304 320 V C -2.463 173.627 176.094 -0.008 0.000 1.054 320 V CA -2.066 60.241 62.300 0.012 0.000 0.882 320 V CB 2.385 34.183 31.823 -0.041 0.000 1.002 320 V HN -0.107 nan 8.190 nan 0.000 0.424 321 P HA 0.166 nan 4.420 nan 0.000 0.271 321 P C 1.145 178.305 177.300 -0.233 0.000 1.216 321 P CA 0.077 63.168 63.100 -0.015 0.000 0.776 321 P CB 1.142 32.925 31.700 0.138 0.000 0.881 322 V N 2.760 122.480 119.914 -0.322 0.000 2.250 322 V HA -0.325 3.800 4.120 0.009 0.000 0.253 322 V C 2.554 178.251 176.094 -0.663 0.000 1.065 322 V CA 2.552 64.417 62.300 -0.725 0.000 1.039 322 V CB -1.812 29.107 31.823 -1.505 0.000 0.647 322 V HN 0.767 nan 8.190 nan 0.000 0.446 323 H N 0.250 119.018 119.070 -0.504 0.000 2.460 323 H HA -0.137 4.424 4.556 0.009 0.000 0.297 323 H C 1.811 177.101 175.328 -0.063 0.000 1.103 323 H CA 1.785 57.731 56.048 -0.169 0.000 1.292 323 H CB -0.575 29.246 29.762 0.098 0.000 1.376 323 H HN 0.447 nan 8.280 nan 0.000 0.531 324 L N 2.201 123.028 121.223 -0.661 0.000 2.592 324 L HA 0.098 4.443 4.340 0.009 0.000 0.227 324 L C 0.766 177.505 176.870 -0.219 0.000 1.127 324 L CA 0.050 54.639 54.840 -0.418 0.000 0.884 324 L CB -0.003 41.784 42.059 -0.452 0.000 1.065 324 L HN 0.194 nan 8.230 nan 0.000 0.457 325 S N -1.069 114.511 115.700 -0.200 0.000 2.565 325 S HA 0.277 4.753 4.470 0.009 0.000 0.274 325 S C -1.663 172.887 174.600 -0.083 0.000 1.309 325 S CA -1.265 56.853 58.200 -0.137 0.000 1.043 325 S CB 1.325 64.430 63.200 -0.158 0.000 0.939 325 S HN -0.133 nan 8.310 nan 0.000 0.504 326 P HA -0.127 nan 4.420 nan 0.000 0.216 326 P C 1.542 178.791 177.300 -0.086 0.000 1.150 326 P CA 1.906 64.967 63.100 -0.065 0.000 0.843 326 P CB -0.274 31.389 31.700 -0.061 0.000 0.787 327 A N -2.145 120.602 122.820 -0.121 0.000 1.986 327 A HA -0.202 4.124 4.320 0.009 0.000 0.220 327 A C 1.661 179.039 177.584 -0.343 0.000 1.171 327 A CA 1.661 53.560 52.037 -0.230 0.000 0.640 327 A CB -1.466 17.375 19.000 -0.264 0.000 0.811 327 A HN 0.256 nan 8.150 nan 0.000 0.451 328 Y N -2.662 117.585 120.300 -0.087 0.000 2.432 328 Y HA 0.383 4.939 4.550 0.010 0.000 0.252 328 Y C 2.376 178.276 175.900 0.000 0.000 1.097 328 Y CA -0.089 57.998 58.100 -0.020 0.000 1.250 328 Y CB 0.021 38.470 38.460 -0.018 0.000 1.245 328 Y HN 0.265 nan 8.280 nan 0.000 0.522 329 A N 0.806 123.678 122.820 0.087 0.000 1.906 329 A HA -0.351 3.975 4.320 0.009 0.000 0.222 329 A C 2.490 180.124 177.584 0.084 0.000 1.282 329 A CA 2.548 54.620 52.037 0.058 0.000 0.675 329 A CB -1.529 17.473 19.000 0.002 0.000 0.838 329 A HN 0.514 nan 8.150 nan 0.000 0.469 330 G N -0.626 108.208 108.800 0.056 0.000 2.479 330 G HA2 -0.153 3.813 3.960 0.009 0.000 0.220 330 G HA3 -0.153 3.813 3.960 0.009 0.000 0.220 330 G C 1.231 176.182 174.900 0.084 0.000 1.115 330 G CA 1.378 46.509 45.100 0.051 0.000 0.757 330 G HN 0.889 nan 8.290 nan 0.000 0.560 331 E N -0.988 119.300 120.200 0.146 0.000 2.601 331 E HA 0.559 4.915 4.350 0.009 0.000 0.219 331 E C 0.961 177.687 176.600 0.210 0.000 0.964 331 E CA 0.141 56.643 56.400 0.169 0.000 1.050 331 E CB 0.463 30.277 29.700 0.190 0.000 1.068 331 E HN 0.267 nan 8.360 nan 0.000 0.496 332 A N 1.879 124.851 122.820 0.252 0.000 2.326 332 A HA 0.644 4.969 4.320 0.009 0.000 0.303 332 A C -2.477 175.225 177.584 0.196 0.000 1.164 332 A CA -1.521 50.681 52.037 0.274 0.000 0.929 332 A CB 0.087 19.340 19.000 0.421 0.000 1.363 332 A HN 0.037 nan 8.150 nan 0.000 0.498 333 P HA 0.290 nan 4.420 nan 0.000 0.271 333 P C -2.534 174.886 177.300 0.200 0.000 1.218 333 P CA -0.820 62.353 63.100 0.123 0.000 0.780 333 P CB -0.078 31.638 31.700 0.027 0.000 0.901 334 P HA 0.093 nan 4.420 nan 0.000 0.275 334 P C -0.065 177.342 177.300 0.178 0.000 1.228 334 P CA -0.166 63.018 63.100 0.139 0.000 0.786 334 P CB 0.503 32.252 31.700 0.081 0.000 0.927 335 E N 0.799 121.102 120.200 0.171 0.000 2.534 335 E HA 0.099 4.455 4.350 0.009 0.000 0.264 335 E C 1.152 177.831 176.600 0.131 0.000 0.981 335 E CA 1.278 57.790 56.400 0.186 0.000 0.948 335 E CB -0.453 29.307 29.700 0.099 0.000 0.934 335 E HN 0.797 nan 8.360 nan 0.000 0.459 336 G N 2.328 111.209 108.800 0.135 0.000 2.213 336 G HA2 -0.327 3.639 3.960 0.009 0.000 0.236 336 G HA3 -0.327 3.639 3.960 0.009 0.000 0.236 336 G C 0.735 175.663 174.900 0.047 0.000 0.991 336 G CA 0.580 45.726 45.100 0.077 0.000 0.629 336 G HN 0.740 nan 8.290 nan 0.000 0.517 337 S N -0.581 115.139 115.700 0.034 0.000 2.556 337 S HA 0.601 5.077 4.470 0.009 0.000 0.216 337 S C 0.709 175.271 174.600 -0.063 0.000 0.970 337 S CA 0.273 58.467 58.200 -0.010 0.000 0.912 337 S CB 0.306 63.503 63.200 -0.005 0.000 0.790 337 S HN 0.556 nan 8.310 nan 0.000 0.504 338 L N 1.740 122.903 121.223 -0.100 0.000 2.551 338 L HA 0.362 4.707 4.340 0.009 0.000 0.248 338 L C -2.181 174.680 176.870 -0.015 0.000 1.509 338 L CA -1.692 53.061 54.840 -0.144 0.000 0.842 338 L CB 1.799 43.593 42.059 -0.442 0.000 1.087 338 L HN -0.030 nan 8.230 nan 0.000 0.512 339 P HA -0.149 nan 4.420 nan 0.000 0.216 339 P C 1.395 178.743 177.300 0.081 0.000 1.150 339 P CA 1.338 64.473 63.100 0.057 0.000 0.837 339 P CB 0.289 32.012 31.700 0.037 0.000 0.786 340 R N -0.102 120.448 120.500 0.084 0.000 2.062 340 R HA -0.014 4.332 4.340 0.009 0.000 0.231 340 R C 2.570 179.003 176.300 0.221 0.000 1.136 340 R CA 1.576 57.757 56.100 0.136 0.000 0.948 340 R CB -1.157 29.232 30.300 0.148 0.000 0.845 340 R HN 0.119 nan 8.270 nan 0.000 0.430 341 A N 1.367 124.303 122.820 0.194 0.000 1.908 341 A HA -0.227 4.099 4.320 0.009 0.000 0.218 341 A C 1.895 179.660 177.584 0.302 0.000 1.181 341 A CA 1.650 53.846 52.037 0.265 0.000 0.627 341 A CB -0.403 18.755 19.000 0.263 0.000 0.818 341 A HN 0.363 nan 8.150 nan 0.000 0.445 342 E N -0.734 119.620 120.200 0.255 0.000 2.106 342 E HA -0.123 4.233 4.350 0.009 0.000 0.192 342 E C 2.226 178.920 176.600 0.157 0.000 0.984 342 E CA 1.140 57.673 56.400 0.222 0.000 0.806 342 E CB -0.155 29.664 29.700 0.199 0.000 0.750 342 E HN 0.581 nan 8.360 nan 0.000 0.458 343 S N -0.290 115.486 115.700 0.127 0.000 2.371 343 S HA -0.092 4.384 4.470 0.009 0.000 0.224 343 S C 1.659 176.285 174.600 0.043 0.000 1.029 343 S CA 0.593 58.825 58.200 0.053 0.000 0.978 343 S CB -0.211 62.987 63.200 -0.003 0.000 0.833 343 S HN 0.195 nan 8.310 nan 0.000 0.466 344 F N 2.048 121.980 119.950 -0.031 0.000 2.095 344 F HA -0.077 4.455 4.527 0.009 0.000 0.298 344 F C 2.614 178.446 175.800 0.053 0.000 1.104 344 F CA 1.332 59.290 58.000 -0.070 0.000 1.232 344 F CB -0.625 38.142 39.000 -0.387 0.000 0.987 344 F HN 0.292 nan 8.300 nan 0.000 0.475 345 A N 0.392 123.407 122.820 0.325 0.000 2.024 345 A HA -0.216 4.110 4.320 0.009 0.000 0.220 345 A C 2.106 179.775 177.584 0.141 0.000 1.164 345 A CA 1.861 54.045 52.037 0.246 0.000 0.643 345 A CB -0.759 18.373 19.000 0.220 0.000 0.806 345 A HN 0.560 nan 8.150 nan 0.000 0.451 346 R N -1.489 119.073 120.500 0.104 0.000 2.290 346 R HA 0.203 4.548 4.340 0.009 0.000 0.197 346 R C 1.430 177.749 176.300 0.032 0.000 0.913 346 R CA 0.781 56.915 56.100 0.058 0.000 1.040 346 R CB -0.115 30.212 30.300 0.047 0.000 0.992 346 R HN 0.516 nan 8.270 nan 0.000 0.500 347 Q N 1.130 120.944 119.800 0.022 0.000 2.402 347 Q HA 0.131 4.477 4.340 0.009 0.000 0.231 347 Q C 0.487 176.477 176.000 -0.018 0.000 0.888 347 Q CA 0.209 56.001 55.803 -0.018 0.000 0.938 347 Q CB 1.336 30.027 28.738 -0.078 0.000 1.086 347 Q HN 0.266 nan 8.270 nan 0.000 0.543 348 V N 0.171 120.106 119.914 0.035 0.000 2.811 348 V HA 0.369 4.495 4.120 0.009 0.000 0.302 348 V C -0.383 175.706 176.094 -0.008 0.000 1.063 348 V CA -0.564 61.761 62.300 0.041 0.000 1.088 348 V CB 0.824 32.746 31.823 0.165 0.000 0.982 348 V HN 0.046 nan 8.190 nan 0.000 0.485 349 L N 3.517 124.717 121.223 -0.038 0.000 2.505 349 L HA 0.613 4.959 4.340 0.009 0.000 0.266 349 L C -0.113 176.745 176.870 -0.019 0.000 0.954 349 L CA 0.193 55.002 54.840 -0.053 0.000 0.852 349 L CB 2.330 44.340 42.059 -0.083 0.000 1.282 349 L HN 0.853 nan 8.230 nan 0.000 0.403 350 S N 5.127 120.856 115.700 0.048 0.000 2.438 350 S HA 0.662 5.138 4.470 0.009 0.000 0.293 350 S C -0.344 174.469 174.600 0.355 0.000 1.141 350 S CA -0.486 57.844 58.200 0.217 0.000 1.080 350 S CB 0.415 63.886 63.200 0.451 0.000 0.978 350 S HN 0.465 nan 8.310 nan 0.000 0.479 351 L N 4.397 125.759 121.223 0.232 0.000 2.357 351 L HA 0.429 4.775 4.340 0.009 0.000 0.273 351 L C -2.252 174.646 176.870 0.047 0.000 1.080 351 L CA -2.576 52.327 54.840 0.105 0.000 0.803 351 L CB 0.255 42.198 42.059 -0.194 0.000 1.174 351 L HN 0.292 nan 8.230 nan 0.000 0.443 352 P HA 0.136 nan 4.420 nan 0.000 0.264 352 P C -0.717 176.505 177.300 -0.130 0.000 1.183 352 P CA 0.566 63.536 63.100 -0.216 0.000 0.763 352 P CB 0.653 32.315 31.700 -0.062 0.000 0.807 353 I N 1.307 121.705 120.570 -0.287 0.000 2.828 353 I HA 0.689 4.865 4.170 0.009 0.000 0.295 353 I C -0.815 175.184 176.117 -0.196 0.000 1.459 353 I CA -0.193 61.021 61.300 -0.142 0.000 1.015 353 I CB 2.056 40.065 38.000 0.014 0.000 1.345 353 I HN 0.626 nan 8.210 nan 0.000 0.449 354 G N 5.129 113.847 108.800 -0.137 0.000 2.340 354 G HA2 0.244 4.210 3.960 0.009 0.000 0.300 354 G HA3 0.244 4.210 3.960 0.009 0.000 0.300 354 G C -3.038 171.732 174.900 -0.216 0.000 1.488 354 G CA -0.472 44.547 45.100 -0.136 0.000 0.878 354 G HN 0.337 nan 8.290 nan 0.000 0.618 355 P HA 0.081 nan 4.420 nan 0.000 0.247 355 P C 0.360 177.037 177.300 -1.039 0.000 1.225 355 P CA 0.917 63.621 63.100 -0.661 0.000 0.768 355 P CB -0.197 30.936 31.700 -0.945 0.000 1.020 356 H N -1.945 116.927 119.070 -0.329 0.000 3.078 356 H HA 0.271 4.833 4.556 0.010 0.000 0.263 356 H C 0.231 175.447 175.328 -0.187 0.000 1.177 356 H CA -0.603 55.276 56.048 -0.281 0.000 1.128 356 H CB 0.401 29.987 29.762 -0.293 0.000 1.623 356 H HN 0.008 nan 8.280 nan 0.000 0.592 357 L N 1.979 123.127 121.223 -0.125 0.000 2.305 357 L HA 0.258 4.604 4.340 0.009 0.000 0.281 357 L C -0.060 176.739 176.870 -0.118 0.000 1.085 357 L CA -0.208 54.567 54.840 -0.108 0.000 0.813 357 L CB 0.892 42.875 42.059 -0.128 0.000 1.157 357 L HN 0.085 nan 8.230 nan 0.000 0.436 358 E N 3.294 123.439 120.200 -0.093 0.000 2.277 358 E HA 0.306 4.661 4.350 0.009 0.000 0.274 358 E C 0.689 177.221 176.600 -0.114 0.000 1.022 358 E CA -0.442 55.901 56.400 -0.095 0.000 0.853 358 E CB 1.148 30.808 29.700 -0.068 0.000 1.086 358 E HN 0.509 nan 8.360 nan 0.000 0.397 359 R N 2.210 122.637 120.500 -0.122 0.000 2.133 359 R HA -0.184 4.162 4.340 0.009 0.000 0.245 359 R C -0.857 175.373 176.300 -0.117 0.000 1.137 359 R CA 1.969 57.986 56.100 -0.139 0.000 0.947 359 R CB -1.357 28.873 30.300 -0.118 0.000 0.865 359 R HN 0.487 nan 8.270 nan 0.000 0.437 360 P HA -0.154 nan 4.420 nan 0.000 0.216 360 P C 0.863 178.130 177.300 -0.055 0.000 1.150 360 P CA 1.514 64.577 63.100 -0.061 0.000 0.837 360 P CB -0.076 31.596 31.700 -0.046 0.000 0.786 361 Q N -0.323 119.441 119.800 -0.060 0.000 2.083 361 Q HA 0.007 4.353 4.340 0.009 0.000 0.198 361 Q C 2.386 178.361 176.000 -0.043 0.000 0.969 361 Q CA 1.458 57.235 55.803 -0.043 0.000 0.838 361 Q CB -0.877 27.838 28.738 -0.038 0.000 0.900 361 Q HN 0.141 nan 8.270 nan 0.000 0.436 362 A N 1.248 124.011 122.820 -0.094 0.000 1.908 362 A HA -0.189 4.137 4.320 0.009 0.000 0.218 362 A C 2.102 179.632 177.584 -0.090 0.000 1.181 362 A CA 1.314 53.267 52.037 -0.140 0.000 0.627 362 A CB -0.688 18.090 19.000 -0.370 0.000 0.818 362 A HN 0.360 nan 8.150 nan 0.000 0.445 363 L N 1.041 122.205 121.223 -0.100 0.000 2.042 363 L HA -0.214 4.131 4.340 0.009 0.000 0.210 363 L C 2.608 179.472 176.870 -0.009 0.000 1.076 363 L CA 2.602 57.406 54.840 -0.060 0.000 0.749 363 L CB -0.608 41.414 42.059 -0.063 0.000 0.893 363 L HN 0.580 nan 8.230 nan 0.000 0.432 364 R N -1.650 118.846 120.500 -0.006 0.000 2.115 364 R HA -0.060 4.285 4.340 0.009 0.000 0.230 364 R C 1.928 178.245 176.300 0.028 0.000 1.111 364 R CA 1.440 57.545 56.100 0.008 0.000 0.976 364 R CB -1.284 29.015 30.300 -0.002 0.000 0.870 364 R HN 0.314 nan 8.270 nan 0.000 0.445 365 V N 2.138 122.084 119.914 0.053 0.000 2.295 365 V HA -0.219 3.907 4.120 0.009 0.000 0.246 365 V C 2.468 178.626 176.094 0.105 0.000 1.049 365 V CA 1.744 64.094 62.300 0.083 0.000 1.024 365 V CB -0.384 31.542 31.823 0.172 0.000 0.648 365 V HN 0.238 nan 8.190 nan 0.000 0.447 366 I N 0.240 120.894 120.570 0.141 0.000 2.127 366 I HA -0.278 3.898 4.170 0.009 0.000 0.241 366 I C 2.352 178.526 176.117 0.095 0.000 1.075 366 I CA 1.866 63.243 61.300 0.128 0.000 1.334 366 I CB -0.598 37.457 38.000 0.092 0.000 1.040 366 I HN 0.354 nan 8.210 nan 0.000 0.405 367 D N 1.117 121.559 120.400 0.070 0.000 2.133 367 D HA -0.210 4.436 4.640 0.009 0.000 0.195 367 D C 2.221 178.589 176.300 0.114 0.000 0.997 367 D CA 1.721 55.767 54.000 0.076 0.000 0.840 367 D CB -0.326 40.505 40.800 0.053 0.000 0.947 367 D HN 0.424 nan 8.370 nan 0.000 0.452 368 A N 0.885 123.764 122.820 0.097 0.000 1.877 368 A HA -0.136 4.190 4.320 0.009 0.000 0.216 368 A C 2.622 180.370 177.584 0.272 0.000 1.186 368 A CA 1.413 53.525 52.037 0.126 0.000 0.620 368 A CB -0.834 18.124 19.000 -0.070 0.000 0.822 368 A HN 0.146 nan 8.150 nan 0.000 0.443 369 V N 0.110 120.132 119.914 0.179 0.000 2.287 369 V HA -0.296 3.830 4.120 0.009 0.000 0.248 369 V C 2.673 178.933 176.094 0.277 0.000 1.053 369 V CA 2.299 64.732 62.300 0.223 0.000 1.027 369 V CB -0.864 31.035 31.823 0.126 0.000 0.646 369 V HN 0.501 nan 8.190 nan 0.000 0.447 370 R N -0.396 120.222 120.500 0.196 0.000 2.080 370 R HA -0.230 4.116 4.340 0.009 0.000 0.236 370 R C 2.440 178.834 176.300 0.157 0.000 1.137 370 R CA 2.014 58.207 56.100 0.155 0.000 0.943 370 R CB -0.481 29.884 30.300 0.109 0.000 0.846 370 R HN 0.681 nan 8.270 nan 0.000 0.431 371 E N -0.199 120.112 120.200 0.186 0.000 2.048 371 E HA -0.278 4.078 4.350 0.009 0.000 0.202 371 E C 1.791 178.465 176.600 0.125 0.000 1.021 371 E CA 1.898 58.398 56.400 0.166 0.000 0.825 371 E CB -0.318 29.538 29.700 0.261 0.000 0.756 371 E HN 0.366 nan 8.360 nan 0.000 0.454 372 W N 0.927 122.245 121.300 0.030 0.000 2.315 372 W HA -0.266 4.399 4.660 0.008 0.000 0.323 372 W C 2.472 178.950 176.519 -0.069 0.000 1.233 372 W CA 2.927 60.183 57.345 -0.149 0.000 1.267 372 W CB -0.823 28.623 29.460 -0.023 0.000 1.160 372 W HN 0.250 nan 8.180 nan 0.000 0.474 373 A N -0.093 122.837 122.820 0.183 0.000 1.986 373 A HA -0.256 4.070 4.320 0.009 0.000 0.220 373 A C 1.707 179.222 177.584 -0.115 0.000 1.171 373 A CA 2.066 54.114 52.037 0.018 0.000 0.640 373 A CB -0.796 18.294 19.000 0.150 0.000 0.811 373 A HN 0.566 nan 8.150 nan 0.000 0.451 374 E N -0.338 119.817 120.200 -0.075 0.000 2.479 374 E HA 0.005 4.361 4.350 0.009 0.000 0.193 374 E C 0.492 177.017 176.600 -0.126 0.000 1.049 374 E CA -0.344 56.008 56.400 -0.080 0.000 0.870 374 E CB -0.035 29.651 29.700 -0.023 0.000 0.944 374 E HN 0.753 nan 8.360 nan 0.000 0.492 375 R N 0.954 121.327 120.500 -0.211 0.000 2.697 375 R HA 0.085 4.430 4.340 0.009 0.000 0.265 375 R C 0.199 176.385 176.300 -0.190 0.000 1.009 375 R CA -0.300 55.667 56.100 -0.222 0.000 1.099 375 R CB 0.438 30.520 30.300 -0.364 0.000 0.965 375 R HN -0.140 nan 8.270 nan 0.000 0.428 376 V N 3.329 123.161 119.914 -0.137 0.000 2.585 376 V HA 0.043 4.169 4.120 0.009 0.000 0.296 376 V C -0.405 175.616 176.094 -0.121 0.000 1.035 376 V CA 0.801 63.037 62.300 -0.107 0.000 1.084 376 V CB 0.695 32.474 31.823 -0.073 0.000 0.953 376 V HN 0.932 nan 8.190 nan 0.000 0.483 377 D N 0.000 120.336 120.400 -0.107 0.000 6.856 377 D HA 0.000 4.646 4.640 0.009 0.000 0.175 377 D CA 0.000 53.940 54.000 -0.100 0.000 0.868 377 D CB 0.000 40.725 40.800 -0.126 0.000 0.688 377 D HN 0.000 nan 8.370 nan 0.000 0.683