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 2f5z_1_D DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TcLNVGcIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.303 177.300 0.005 0.000 1.155 4 P CA 0.000 63.104 63.100 0.006 0.000 0.800 4 P CB 0.000 31.704 31.700 0.006 0.000 0.726 5 I N 0.855 121.428 120.570 0.005 0.000 2.612 5 I HA 0.379 4.549 4.170 -0.000 0.000 0.295 5 I C 0.136 176.256 176.117 0.005 0.000 1.011 5 I CA -0.185 61.117 61.300 0.004 0.000 1.326 5 I CB 1.008 39.009 38.000 0.002 0.000 1.427 5 I HN 0.276 nan 8.210 nan 0.000 0.537 6 D N 2.957 123.361 120.400 0.006 0.000 2.252 6 D HA 0.780 5.420 4.640 -0.000 0.000 0.245 6 D C -0.866 175.438 176.300 0.007 0.000 1.009 6 D CA -0.152 53.853 54.000 0.008 0.000 0.870 6 D CB 2.000 42.806 40.800 0.011 0.000 1.251 6 D HN 0.701 nan 8.370 nan 0.000 0.460 7 A N 1.186 124.010 122.820 0.007 0.000 2.612 7 A HA 0.411 4.731 4.320 -0.000 0.000 0.293 7 A C -0.479 177.109 177.584 0.007 0.000 1.075 7 A CA -0.638 51.403 52.037 0.005 0.000 0.680 7 A CB 1.336 20.328 19.000 -0.013 0.000 1.279 7 A HN 0.480 nan 8.150 nan 0.000 0.411 8 D N -0.472 119.939 120.400 0.018 0.000 2.216 8 D HA 0.174 4.814 4.640 -0.000 0.000 0.208 8 D C 0.097 176.312 176.300 -0.141 0.000 0.960 8 D CA 1.493 55.498 54.000 0.008 0.000 0.861 8 D CB 0.563 41.474 40.800 0.185 0.000 0.985 8 D HN 0.225 nan 8.370 nan 0.000 0.493 9 V N 1.042 120.859 119.914 -0.161 0.000 2.524 9 V HA 0.252 4.372 4.120 -0.000 0.000 0.297 9 V C -0.470 175.547 176.094 -0.129 0.000 1.035 9 V CA -0.580 61.584 62.300 -0.227 0.000 0.867 9 V CB 2.162 33.739 31.823 -0.409 0.000 1.004 9 V HN -0.150 nan 8.190 nan 0.000 0.426 10 T N 4.439 118.938 114.554 -0.091 0.000 2.772 10 T HA 0.524 4.874 4.350 -0.000 0.000 0.288 10 T C -0.256 174.415 174.700 -0.048 0.000 0.994 10 T CA -0.350 61.716 62.100 -0.056 0.000 0.951 10 T CB 1.482 70.336 68.868 -0.023 0.000 0.933 10 T HN 0.335 nan 8.240 nan 0.000 0.447 11 V N 5.508 125.392 119.914 -0.049 0.000 2.383 11 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 11 V C 0.127 176.225 176.094 0.006 0.000 1.036 11 V CA -0.751 61.532 62.300 -0.029 0.000 0.889 11 V CB 0.964 32.764 31.823 -0.037 0.000 0.985 11 V HN 0.800 nan 8.190 nan 0.000 0.459 12 I N 4.973 125.552 120.570 0.016 0.000 2.306 12 I HA 0.716 4.886 4.170 -0.000 0.000 0.288 12 I C 0.719 176.854 176.117 0.030 0.000 1.036 12 I CA 0.048 61.362 61.300 0.023 0.000 1.221 12 I CB 0.929 38.940 38.000 0.019 0.000 1.385 12 I HN 0.867 nan 8.210 nan 0.000 0.472 13 G N 3.751 112.575 108.800 0.041 0.000 2.841 13 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.684 13 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.684 13 G C -0.166 174.785 174.900 0.086 0.000 1.273 13 G CA -0.302 44.826 45.100 0.047 0.000 0.811 13 G HN 0.685 nan 8.290 nan 0.000 0.631 14 S N 0.746 116.498 115.700 0.087 0.000 2.651 14 S HA 0.621 5.091 4.470 -0.000 0.000 0.246 14 S C 1.214 175.898 174.600 0.140 0.000 1.039 14 S CA 0.712 58.996 58.200 0.141 0.000 1.013 14 S CB 0.570 63.812 63.200 0.070 0.000 0.861 14 S HN 1.882 nan 8.310 nan 0.000 0.485 15 G N 2.302 111.171 108.800 0.116 0.000 2.516 15 G HA2 0.434 4.394 3.960 -0.000 0.000 0.276 15 G HA3 0.434 4.394 3.960 -0.000 0.000 0.276 15 G C -1.641 173.384 174.900 0.208 0.000 1.390 15 G CA -1.584 43.590 45.100 0.122 0.000 1.050 15 G HN 0.183 nan 8.290 nan 0.000 0.519 16 P HA -0.132 nan 4.420 nan 0.000 0.216 16 P C 1.977 179.201 177.300 -0.127 0.000 1.154 16 P CA 2.083 65.205 63.100 0.036 0.000 0.865 16 P CB -0.019 31.696 31.700 0.026 0.000 0.789 17 G N -0.830 107.933 108.800 -0.062 0.000 2.404 17 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 17 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 17 G C 1.796 176.643 174.900 -0.089 0.000 1.189 17 G CA 0.891 45.934 45.100 -0.095 0.000 0.789 17 G HN 0.361 nan 8.290 nan 0.000 0.533 18 G N 0.291 109.086 108.800 -0.007 0.000 2.404 18 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 18 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 18 G C 1.726 176.695 174.900 0.115 0.000 1.174 18 G CA 1.325 46.448 45.100 0.039 0.000 0.780 18 G HN 0.591 nan 8.290 nan 0.000 0.537 19 Y N 0.855 121.225 120.300 0.115 0.000 2.293 19 Y HA 0.071 4.621 4.550 -0.000 0.000 0.291 19 Y C 2.352 178.375 175.900 0.205 0.000 1.137 19 Y CA 1.071 59.323 58.100 0.254 0.000 1.202 19 Y CB -0.628 37.852 38.460 0.033 0.000 0.990 19 Y HN 0.010 nan 8.280 nan 0.000 0.537 20 V N 1.208 120.770 119.914 -0.587 0.000 2.379 20 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 20 V C 2.843 178.833 176.094 -0.172 0.000 1.044 20 V CA 1.679 63.685 62.300 -0.490 0.000 1.036 20 V CB -1.304 30.183 31.823 -0.561 0.000 0.664 20 V HN 0.624 nan 8.190 nan 0.000 0.453 21 A N -0.078 122.656 122.820 -0.142 0.000 1.933 21 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 21 A C 2.386 179.929 177.584 -0.067 0.000 1.175 21 A CA 1.985 53.956 52.037 -0.109 0.000 0.628 21 A CB -0.626 18.298 19.000 -0.126 0.000 0.814 21 A HN 0.549 nan 8.150 nan 0.000 0.444 22 A N 0.049 122.851 122.820 -0.030 0.000 1.873 22 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 22 A C 2.115 179.678 177.584 -0.035 0.000 1.186 22 A CA 1.439 53.436 52.037 -0.066 0.000 0.616 22 A CB -0.597 18.315 19.000 -0.146 0.000 0.823 22 A HN 0.469 nan 8.150 nan 0.000 0.442 23 I N -0.620 119.992 120.570 0.069 0.000 2.163 23 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 23 I C 2.560 178.702 176.117 0.041 0.000 1.085 23 I CA 1.943 63.301 61.300 0.096 0.000 1.347 23 I CB -0.199 37.912 38.000 0.184 0.000 1.044 23 I HN 0.271 nan 8.210 nan 0.000 0.408 24 K N 1.469 121.878 120.400 0.015 0.000 2.032 24 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 24 K C 2.066 178.694 176.600 0.047 0.000 1.048 24 K CA 1.801 58.095 56.287 0.011 0.000 0.927 24 K CB -0.469 32.019 32.500 -0.019 0.000 0.712 24 K HN 0.287 nan 8.250 nan 0.000 0.441 25 A N 0.488 123.343 122.820 0.060 0.000 1.908 25 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 25 A C 2.376 180.077 177.584 0.195 0.000 1.181 25 A CA 2.215 54.367 52.037 0.192 0.000 0.627 25 A CB -1.132 17.904 19.000 0.060 0.000 0.818 25 A HN 0.443 nan 8.150 nan 0.000 0.445 26 A N -0.762 122.103 122.820 0.076 0.000 1.933 26 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 26 A C 2.087 179.683 177.584 0.020 0.000 1.175 26 A CA 1.597 53.660 52.037 0.043 0.000 0.628 26 A CB -0.553 18.445 19.000 -0.003 0.000 0.814 26 A HN 0.669 nan 8.150 nan 0.000 0.444 27 Q N -0.617 119.194 119.800 0.019 0.000 2.224 27 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 27 Q C 1.529 177.510 176.000 -0.031 0.000 0.970 27 Q CA 0.845 56.647 55.803 -0.002 0.000 0.865 27 Q CB -0.219 28.523 28.738 0.006 0.000 0.922 27 Q HN 0.647 nan 8.270 nan 0.000 0.445 28 L N -0.775 120.428 121.223 -0.034 0.000 2.599 28 L HA 0.098 4.438 4.340 -0.000 0.000 0.230 28 L C 1.076 177.785 176.870 -0.268 0.000 1.141 28 L CA 0.467 55.232 54.840 -0.125 0.000 0.877 28 L CB 0.045 42.050 42.059 -0.091 0.000 1.009 28 L HN 0.430 nan 8.230 nan 0.000 0.447 29 G N -0.864 107.831 108.800 -0.176 0.000 2.176 29 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.232 29 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.232 29 G C 0.083 174.867 174.900 -0.192 0.000 0.986 29 G CA -0.578 44.403 45.100 -0.198 0.000 0.643 29 G HN 0.115 nan 8.290 nan 0.000 0.522 30 F N 0.794 120.721 119.950 -0.039 0.000 2.389 30 F HA 0.595 5.122 4.527 -0.000 0.000 0.337 30 F C 0.857 176.630 175.800 -0.045 0.000 1.112 30 F CA -0.713 57.262 58.000 -0.042 0.000 1.192 30 F CB 1.142 40.110 39.000 -0.054 0.000 1.185 30 F HN 0.003 nan 8.300 nan 0.000 0.552 31 K N 1.917 122.432 120.400 0.190 0.000 2.338 31 K HA 0.254 4.574 4.320 -0.000 0.000 0.290 31 K C -0.929 175.701 176.600 0.049 0.000 1.069 31 K CA 0.162 56.495 56.287 0.078 0.000 0.941 31 K CB -0.039 32.495 32.500 0.057 0.000 1.023 31 K HN 0.635 nan 8.250 nan 0.000 0.477 32 T N 3.711 118.267 114.554 0.003 0.000 2.824 32 T HA 0.484 4.834 4.350 -0.000 0.000 0.282 32 T C -1.046 173.595 174.700 -0.099 0.000 0.993 32 T CA -0.759 61.309 62.100 -0.054 0.000 0.967 32 T CB 1.412 70.238 68.868 -0.069 0.000 0.960 32 T HN 0.267 nan 8.240 nan 0.000 0.441 33 V N 1.967 121.821 119.914 -0.099 0.000 2.604 33 V HA 0.586 4.705 4.120 -0.000 0.000 0.305 33 V C -0.381 175.649 176.094 -0.108 0.000 1.043 33 V CA -0.856 61.388 62.300 -0.095 0.000 0.888 33 V CB 1.845 33.642 31.823 -0.042 0.000 0.995 33 V HN 1.089 nan 8.190 nan 0.000 0.429 34 C N 6.913 126.144 119.300 -0.116 0.000 2.364 34 C HA 0.687 5.147 4.460 -0.000 0.000 0.324 34 C C -0.372 174.677 174.990 0.098 0.000 1.234 34 C CA -0.505 58.482 59.018 -0.053 0.000 1.417 34 C CB -0.582 27.055 27.740 -0.171 0.000 2.101 34 C HN 0.809 nan 8.230 nan 0.000 0.466 35 I N 4.880 125.508 120.570 0.096 0.000 2.336 35 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 35 I C -0.333 175.858 176.117 0.123 0.000 0.991 35 I CA 0.126 61.502 61.300 0.127 0.000 1.227 35 I CB 1.513 39.554 38.000 0.069 0.000 1.366 35 I HN 0.615 nan 8.210 nan 0.000 0.466 36 E N 5.715 126.018 120.200 0.172 0.000 2.263 36 E HA 0.245 4.595 4.350 -0.000 0.000 0.268 36 E C 0.095 176.754 176.600 0.099 0.000 0.884 36 E CA -0.808 55.662 56.400 0.118 0.000 0.766 36 E CB 1.488 31.269 29.700 0.134 0.000 1.196 36 E HN 0.569 nan 8.360 nan 0.000 0.416 37 K N 2.655 123.065 120.400 0.016 0.000 2.167 37 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 37 K C 0.275 176.908 176.600 0.054 0.000 1.052 37 K CA 0.290 56.596 56.287 0.032 0.000 0.956 37 K CB -0.070 32.406 32.500 -0.040 0.000 0.735 37 K HN 0.224 nan 8.250 nan 0.000 0.451 38 N N 1.841 120.559 118.700 0.029 0.000 2.381 38 N HA 0.009 4.749 4.740 -0.000 0.000 0.254 38 N C 0.634 176.172 175.510 0.046 0.000 1.264 38 N CA -0.155 52.910 53.050 0.025 0.000 0.942 38 N CB 0.643 39.125 38.487 -0.009 0.000 1.190 38 N HN 0.188 nan 8.380 nan 0.000 0.495 39 E N -0.639 119.580 120.200 0.031 0.000 2.204 39 E HA -0.062 4.287 4.350 -0.000 0.000 0.194 39 E C 0.148 176.772 176.600 0.040 0.000 0.989 39 E CA 0.886 57.309 56.400 0.038 0.000 0.824 39 E CB 0.076 29.789 29.700 0.021 0.000 0.756 39 E HN 0.698 nan 8.360 nan 0.000 0.477 40 T N -1.727 112.831 114.554 0.008 0.000 2.930 40 T HA 0.577 4.927 4.350 -0.000 0.000 0.290 40 T C 0.063 174.722 174.700 -0.068 0.000 1.052 40 T CA -0.915 61.168 62.100 -0.028 0.000 1.017 40 T CB 1.660 70.495 68.868 -0.055 0.000 1.137 40 T HN -0.131 nan 8.240 nan 0.000 0.511 41 L N 0.543 121.674 121.223 -0.155 0.000 2.488 41 L HA 0.632 4.972 4.340 -0.000 0.000 0.249 41 L C 1.767 178.501 176.870 -0.227 0.000 1.151 41 L CA 0.055 54.752 54.840 -0.239 0.000 0.806 41 L CB 0.304 42.084 42.059 -0.464 0.000 1.261 41 L HN 1.158 nan 8.230 nan 0.000 0.484 42 G N -0.915 107.749 108.800 -0.226 0.000 2.238 42 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 42 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 42 G C 0.646 175.518 174.900 -0.047 0.000 0.996 42 G CA -0.073 44.924 45.100 -0.173 0.000 0.632 42 G HN 1.425 nan 8.290 nan 0.000 0.503 43 G N -0.750 108.026 108.800 -0.040 0.000 2.575 43 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.267 43 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.267 43 G C 1.049 175.932 174.900 -0.030 0.000 1.264 43 G CA 1.375 46.462 45.100 -0.021 0.000 0.935 43 G HN 1.324 nan 8.290 nan 0.000 0.568 44 T N -0.451 114.090 114.554 -0.023 0.000 2.708 44 T HA -0.194 4.155 4.350 -0.000 0.000 0.266 44 T C 2.463 177.155 174.700 -0.015 0.000 1.037 44 T CA 2.483 64.569 62.100 -0.024 0.000 1.146 44 T CB -0.739 68.119 68.868 -0.017 0.000 0.865 44 T HN 0.994 nan 8.240 nan 0.000 0.435 45 c N 1.243 119.841 118.600 -0.002 0.000 2.393 45 c HA -0.082 4.488 4.570 -0.000 0.000 0.276 45 c C 2.572 176.651 174.090 -0.018 0.000 1.215 45 c CA 0.977 57.305 56.329 -0.001 0.000 1.743 45 c CB -1.342 41.181 42.510 0.022 0.000 2.044 45 c HN 0.490 nan 8.230 nan 0.000 0.464 46 L N 1.603 122.811 121.223 -0.026 0.000 2.072 46 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 46 L C 2.162 179.001 176.870 -0.053 0.000 1.079 46 L CA 2.011 56.820 54.840 -0.051 0.000 0.752 46 L CB -1.138 40.869 42.059 -0.086 0.000 0.906 46 L HN 0.439 nan 8.230 nan 0.000 0.436 47 N N -0.727 117.944 118.700 -0.048 0.000 2.336 47 N HA 0.014 4.754 4.740 -0.000 0.000 0.177 47 N C 1.077 176.569 175.510 -0.030 0.000 1.018 47 N CA 1.568 54.592 53.050 -0.043 0.000 0.878 47 N CB 0.641 39.101 38.487 -0.046 0.000 0.997 47 N HN 0.414 nan 8.380 nan 0.000 0.433 48 V N -3.817 116.082 119.914 -0.025 0.000 3.265 48 V HA 0.615 4.735 4.120 -0.000 0.000 0.346 48 V C 0.526 176.617 176.094 -0.006 0.000 1.447 48 V CA -0.166 62.126 62.300 -0.014 0.000 1.179 48 V CB 0.538 32.352 31.823 -0.015 0.000 1.103 48 V HN 0.108 nan 8.190 nan 0.000 0.530 49 G N -0.155 108.638 108.800 -0.012 0.000 3.259 49 G HA2 0.214 4.173 3.960 -0.000 0.000 0.193 49 G HA3 0.214 4.173 3.960 -0.000 0.000 0.193 49 G C 1.004 175.891 174.900 -0.023 0.000 1.457 49 G CA 0.681 45.777 45.100 -0.005 0.000 0.771 49 G HN 0.252 nan 8.290 nan 0.000 0.765 50 c N 1.110 119.692 118.600 -0.030 0.000 2.318 50 c HA -0.158 4.412 4.570 -0.000 0.000 0.272 50 c C 2.803 176.824 174.090 -0.114 0.000 1.156 50 c CA 0.890 57.174 56.329 -0.075 0.000 1.783 50 c CB -1.384 41.090 42.510 -0.060 0.000 2.023 50 c HN 0.432 nan 8.230 nan 0.000 0.437 51 I N 2.355 122.874 120.570 -0.085 0.000 2.099 51 I HA -0.122 4.048 4.170 -0.000 0.000 0.239 51 I C 0.072 176.141 176.117 -0.079 0.000 1.066 51 I CA 1.762 63.009 61.300 -0.087 0.000 1.324 51 I CB -2.990 34.970 38.000 -0.066 0.000 1.037 51 I HN 0.284 nan 8.210 nan 0.000 0.401 52 P HA -0.071 nan 4.420 nan 0.000 0.219 52 P C 1.838 179.105 177.300 -0.055 0.000 1.150 52 P CA 1.776 64.848 63.100 -0.047 0.000 0.814 52 P CB -0.113 31.572 31.700 -0.026 0.000 0.787 53 S N -0.007 115.660 115.700 -0.056 0.000 2.387 53 S HA -0.077 4.393 4.470 -0.000 0.000 0.226 53 S C 2.004 176.548 174.600 -0.094 0.000 1.026 53 S CA 0.925 59.092 58.200 -0.055 0.000 0.972 53 S CB -0.804 62.384 63.200 -0.020 0.000 0.814 53 S HN -0.016 nan 8.310 nan 0.000 0.477 54 K N 2.178 122.488 120.400 -0.150 0.000 2.097 54 K HA 0.247 4.567 4.320 -0.000 0.000 0.206 54 K C 2.327 178.856 176.600 -0.119 0.000 1.049 54 K CA 1.166 57.334 56.287 -0.198 0.000 0.933 54 K CB -0.899 31.400 32.500 -0.335 0.000 0.717 54 K HN 0.474 nan 8.250 nan 0.000 0.442 55 A N 0.492 123.255 122.820 -0.095 0.000 1.902 55 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 55 A C 2.058 179.599 177.584 -0.071 0.000 1.181 55 A CA 1.371 53.369 52.037 -0.064 0.000 0.623 55 A CB -0.611 18.358 19.000 -0.052 0.000 0.818 55 A HN 0.213 nan 8.150 nan 0.000 0.443 56 L N -0.881 120.282 121.223 -0.099 0.000 2.179 56 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 56 L C 2.462 179.243 176.870 -0.148 0.000 1.096 56 L CA 0.496 55.246 54.840 -0.151 0.000 0.779 56 L CB -0.454 41.475 42.059 -0.217 0.000 0.922 56 L HN 0.352 nan 8.230 nan 0.000 0.443 57 L N -0.269 120.891 121.223 -0.104 0.000 2.046 57 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 57 L C 2.434 179.266 176.870 -0.064 0.000 1.077 57 L CA 1.437 56.240 54.840 -0.062 0.000 0.747 57 L CB -0.631 41.424 42.059 -0.007 0.000 0.896 57 L HN 0.408 nan 8.230 nan 0.000 0.432 58 N N 0.108 118.760 118.700 -0.080 0.000 2.025 58 N HA -0.209 4.531 4.740 -0.000 0.000 0.194 58 N C 1.568 176.988 175.510 -0.149 0.000 1.044 58 N CA 1.601 54.572 53.050 -0.132 0.000 0.851 58 N CB 0.042 38.500 38.487 -0.048 0.000 1.036 58 N HN 0.337 nan 8.380 nan 0.000 0.422 59 N N 0.484 119.170 118.700 -0.024 0.000 2.223 59 N HA -0.119 4.620 4.740 -0.000 0.000 0.185 59 N C 1.772 177.295 175.510 0.022 0.000 1.016 59 N CA 0.666 53.750 53.050 0.058 0.000 0.863 59 N CB -0.669 37.829 38.487 0.018 0.000 0.983 59 N HN 0.217 nan 8.380 nan 0.000 0.429 60 S N 0.305 115.972 115.700 -0.055 0.000 2.356 60 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 60 S C 1.857 176.486 174.600 0.048 0.000 1.032 60 S CA 1.007 59.176 58.200 -0.052 0.000 1.005 60 S CB -0.415 62.701 63.200 -0.141 0.000 0.867 60 S HN 0.492 nan 8.310 nan 0.000 0.449 61 H N -1.103 117.895 119.070 -0.120 0.000 2.321 61 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 61 H C 1.861 177.113 175.328 -0.128 0.000 1.087 61 H CA 2.042 57.997 56.048 -0.155 0.000 1.319 61 H CB -0.338 29.232 29.762 -0.319 0.000 1.379 61 H HN 0.521 nan 8.280 nan 0.000 0.501 62 Y N -0.124 120.052 120.300 -0.206 0.000 2.181 62 Y HA -0.238 4.311 4.550 -0.000 0.000 0.288 62 Y C 2.688 178.407 175.900 -0.302 0.000 1.146 62 Y CA 1.249 59.156 58.100 -0.322 0.000 1.164 62 Y CB -1.304 37.070 38.460 -0.144 0.000 0.982 62 Y HN 0.321 nan 8.280 nan 0.000 0.515 63 Y N 0.037 120.295 120.300 -0.070 0.000 2.128 63 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 63 Y C 2.917 178.766 175.900 -0.085 0.000 1.154 63 Y CA 2.302 60.350 58.100 -0.086 0.000 1.149 63 Y CB -0.907 37.512 38.460 -0.068 0.000 0.976 63 Y HN 0.313 nan 8.280 nan 0.000 0.505 64 H N -0.334 118.646 119.070 -0.151 0.000 2.352 64 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 64 H C 2.070 177.229 175.328 -0.282 0.000 1.097 64 H CA 1.889 57.822 56.048 -0.192 0.000 1.311 64 H CB -0.102 29.630 29.762 -0.050 0.000 1.377 64 H HN 0.418 nan 8.280 nan 0.000 0.504 65 M N 0.123 119.404 119.600 -0.531 0.000 2.117 65 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 65 M C 2.809 178.654 176.300 -0.759 0.000 1.065 65 M CA 1.594 56.516 55.300 -0.631 0.000 1.114 65 M CB -0.151 32.071 32.600 -0.631 0.000 1.361 65 M HN 0.369 nan 8.290 nan 0.000 0.408 66 A N -1.172 121.109 122.820 -0.899 0.000 1.929 66 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 66 A C 2.025 179.361 177.584 -0.413 0.000 1.176 66 A CA 1.374 52.953 52.037 -0.763 0.000 0.628 66 A CB -0.949 17.681 19.000 -0.616 0.000 0.816 66 A HN 0.542 nan 8.150 nan 0.000 0.444 67 H N -0.202 118.517 119.070 -0.585 0.000 2.448 67 H HA 0.078 4.634 4.556 -0.000 0.000 0.292 67 H C 1.443 176.587 175.328 -0.306 0.000 1.035 67 H CA 1.174 56.927 56.048 -0.492 0.000 1.349 67 H CB -0.097 29.165 29.762 -0.833 0.000 1.425 67 H HN 0.432 nan 8.280 nan 0.000 0.539 68 G N -0.524 108.122 108.800 -0.257 0.000 2.666 68 G HA2 0.026 3.986 3.960 -0.000 0.000 0.207 68 G HA3 0.026 3.986 3.960 -0.000 0.000 0.207 68 G C 1.121 175.910 174.900 -0.185 0.000 1.481 68 G CA 0.558 45.532 45.100 -0.210 0.000 1.071 68 G HN 0.387 nan 8.290 nan 0.000 0.572 69 T N -2.554 111.921 114.554 -0.132 0.000 3.065 69 T HA 0.049 4.399 4.350 -0.000 0.000 0.252 69 T C 1.538 176.223 174.700 -0.026 0.000 1.099 69 T CA 1.169 63.231 62.100 -0.063 0.000 1.063 69 T CB 0.112 68.966 68.868 -0.024 0.000 0.948 69 T HN 0.422 nan 8.240 nan 0.000 0.506 70 D N 0.852 121.223 120.400 -0.048 0.000 2.103 70 D HA -0.164 4.476 4.640 -0.000 0.000 0.190 70 D C 1.494 177.910 176.300 0.193 0.000 0.997 70 D CA 1.281 55.313 54.000 0.054 0.000 0.833 70 D CB -0.163 40.655 40.800 0.030 0.000 0.961 70 D HN 0.313 nan 8.370 nan 0.000 0.447 71 F N 1.278 121.163 119.950 -0.108 0.000 2.171 71 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 71 F C 2.590 178.348 175.800 -0.069 0.000 1.090 71 F CA 0.788 58.737 58.000 -0.085 0.000 1.293 71 F CB -1.153 37.789 39.000 -0.097 0.000 1.013 71 F HN -0.005 nan 8.300 nan 0.000 0.486 72 A N -0.241 122.640 122.820 0.102 0.000 1.933 72 A HA -0.191 4.128 4.320 -0.000 0.000 0.218 72 A C 2.350 179.938 177.584 0.005 0.000 1.175 72 A CA 1.978 54.032 52.037 0.027 0.000 0.628 72 A CB -1.189 17.812 19.000 0.002 0.000 0.814 72 A HN 0.393 nan 8.150 nan 0.000 0.444 73 S N -0.434 115.275 115.700 0.015 0.000 2.507 73 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 73 S C 1.521 176.114 174.600 -0.012 0.000 0.988 73 S CA 1.064 59.267 58.200 0.006 0.000 0.944 73 S CB -0.329 62.883 63.200 0.019 0.000 0.762 73 S HN 0.626 nan 8.310 nan 0.000 0.526 74 R N 0.251 120.729 120.500 -0.037 0.000 2.393 74 R HA 0.348 4.688 4.340 -0.000 0.000 0.244 74 R C 1.311 177.552 176.300 -0.098 0.000 0.920 74 R CA 0.331 56.382 56.100 -0.082 0.000 1.076 74 R CB 0.208 30.415 30.300 -0.156 0.000 1.119 74 R HN 0.505 nan 8.270 nan 0.000 0.524 75 G N 1.630 110.388 108.800 -0.070 0.000 2.136 75 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 75 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 75 G C 0.098 174.949 174.900 -0.081 0.000 0.989 75 G CA -0.298 44.763 45.100 -0.065 0.000 0.682 75 G HN 0.271 nan 8.290 nan 0.000 0.522 76 I N 1.851 122.359 120.570 -0.104 0.000 2.310 76 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 76 I C -0.221 175.891 176.117 -0.009 0.000 1.073 76 I CA -0.682 60.557 61.300 -0.100 0.000 1.216 76 I CB 0.731 38.572 38.000 -0.265 0.000 1.415 76 I HN -0.020 nan 8.210 nan 0.000 0.480 77 E N 7.524 127.717 120.200 -0.011 0.000 2.249 77 E HA 0.578 4.928 4.350 -0.000 0.000 0.280 77 E C -0.604 176.001 176.600 0.008 0.000 1.016 77 E CA -0.332 56.068 56.400 -0.001 0.000 0.830 77 E CB 2.095 31.788 29.700 -0.011 0.000 1.081 77 E HN 0.473 nan 8.360 nan 0.000 0.395 78 M N 0.839 120.443 119.600 0.006 0.000 2.446 78 M HA 0.140 4.620 4.480 -0.000 0.000 0.294 78 M C 1.155 177.449 176.300 -0.011 0.000 1.158 78 M CA -0.595 54.708 55.300 0.005 0.000 0.899 78 M CB 2.200 34.811 32.600 0.018 0.000 1.687 78 M HN 0.531 nan 8.290 nan 0.000 0.455 79 S N 0.954 116.651 115.700 -0.005 0.000 2.523 79 S HA -0.126 4.344 4.470 -0.000 0.000 0.226 79 S C 0.473 175.065 174.600 -0.013 0.000 1.062 79 S CA 1.036 59.232 58.200 -0.007 0.000 1.207 79 S CB -0.201 63.000 63.200 0.001 0.000 1.151 79 S HN 0.811 nan 8.310 nan 0.000 0.408 80 E N 0.084 120.282 120.200 -0.003 0.000 2.260 80 E HA 0.486 4.836 4.350 -0.000 0.000 0.266 80 E C -1.734 174.879 176.600 0.022 0.000 0.887 80 E CA -0.642 55.758 56.400 -0.000 0.000 0.777 80 E CB 2.225 31.935 29.700 0.016 0.000 1.205 80 E HN 0.335 nan 8.360 nan 0.000 0.414 81 V N 5.437 125.361 119.914 0.016 0.000 2.461 81 V HA 0.522 4.642 4.120 -0.000 0.000 0.275 81 V C -0.725 175.480 176.094 0.186 0.000 1.047 81 V CA -0.011 62.327 62.300 0.063 0.000 0.955 81 V CB 0.825 32.635 31.823 -0.021 0.000 0.988 81 V HN 0.691 nan 8.190 nan 0.000 0.471 82 R N 4.625 125.240 120.500 0.192 0.000 2.750 82 R HA 0.588 4.928 4.340 -0.000 0.000 0.281 82 R C -1.400 175.038 176.300 0.229 0.000 0.972 82 R CA -0.943 55.289 56.100 0.219 0.000 0.912 82 R CB 2.071 32.443 30.300 0.120 0.000 1.187 82 R HN 0.713 nan 8.270 nan 0.000 0.464 83 L N 2.301 123.616 121.223 0.153 0.000 2.305 83 L HA 0.332 4.671 4.340 -0.000 0.000 0.281 83 L C -0.607 176.240 176.870 -0.039 0.000 1.085 83 L CA 0.028 54.834 54.840 -0.058 0.000 0.813 83 L CB 0.877 42.719 42.059 -0.361 0.000 1.157 83 L HN 0.511 nan 8.230 nan 0.000 0.436 84 N N 4.671 123.348 118.700 -0.038 0.000 2.800 84 N HA 0.054 4.794 4.740 -0.000 0.000 0.240 84 N C 0.645 176.130 175.510 -0.041 0.000 1.096 84 N CA -0.405 52.632 53.050 -0.022 0.000 0.877 84 N CB 0.508 38.994 38.487 -0.002 0.000 1.138 84 N HN 0.724 nan 8.380 nan 0.000 0.509 85 L N 2.425 123.621 121.223 -0.046 0.000 2.081 85 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 85 L C 1.241 178.105 176.870 -0.010 0.000 1.080 85 L CA 1.879 56.699 54.840 -0.032 0.000 0.754 85 L CB -0.198 41.868 42.059 0.012 0.000 0.893 85 L HN 0.427 nan 8.230 nan 0.000 0.433 86 D N -0.763 119.634 120.400 -0.004 0.000 2.117 86 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 86 D C 2.156 178.453 176.300 -0.006 0.000 0.982 86 D CA 1.042 55.042 54.000 -0.000 0.000 0.828 86 D CB 0.007 40.807 40.800 -0.000 0.000 0.967 86 D HN 0.168 nan 8.370 nan 0.000 0.464 87 K N 0.644 121.039 120.400 -0.009 0.000 2.057 87 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 87 K C 2.051 178.643 176.600 -0.013 0.000 1.049 87 K CA 0.749 57.032 56.287 -0.008 0.000 0.931 87 K CB -0.376 32.122 32.500 -0.004 0.000 0.714 87 K HN 0.080 nan 8.250 nan 0.000 0.440 88 M N -0.648 118.937 119.600 -0.025 0.000 2.117 88 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 88 M C 1.604 177.883 176.300 -0.034 0.000 1.065 88 M CA 1.477 56.754 55.300 -0.038 0.000 1.114 88 M CB -0.009 32.543 32.600 -0.080 0.000 1.361 88 M HN 0.139 nan 8.290 nan 0.000 0.408 89 M N -0.223 119.363 119.600 -0.024 0.000 2.213 89 M HA -0.197 4.283 4.480 -0.000 0.000 0.263 89 M C 1.933 178.227 176.300 -0.009 0.000 1.062 89 M CA 1.568 56.862 55.300 -0.009 0.000 1.105 89 M CB -1.369 31.240 32.600 0.014 0.000 1.385 89 M HN 0.447 nan 8.290 nan 0.000 0.417 90 E N -0.056 120.139 120.200 -0.009 0.000 2.072 90 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 90 E C 2.061 178.655 176.600 -0.011 0.000 0.985 90 E CA 0.970 57.365 56.400 -0.008 0.000 0.801 90 E CB 0.018 29.714 29.700 -0.007 0.000 0.750 90 E HN 0.378 nan 8.360 nan 0.000 0.452 91 Q N 1.526 121.320 119.800 -0.010 0.000 2.084 91 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 91 Q C 2.079 178.071 176.000 -0.014 0.000 0.978 91 Q CA 1.736 57.534 55.803 -0.008 0.000 0.844 91 Q CB -0.230 28.508 28.738 0.000 0.000 0.898 91 Q HN 0.204 nan 8.270 nan 0.000 0.426 92 K N -0.244 120.144 120.400 -0.019 0.000 2.009 92 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 92 K C 2.166 178.752 176.600 -0.024 0.000 1.049 92 K CA 1.759 58.030 56.287 -0.026 0.000 0.929 92 K CB -0.079 32.404 32.500 -0.029 0.000 0.714 92 K HN 0.097 nan 8.250 nan 0.000 0.440 93 S N 0.312 116.000 115.700 -0.019 0.000 2.368 93 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 93 S C 1.917 176.503 174.600 -0.023 0.000 1.030 93 S CA 1.833 60.021 58.200 -0.019 0.000 0.999 93 S CB -0.432 62.760 63.200 -0.014 0.000 0.844 93 S HN 0.468 nan 8.310 nan 0.000 0.459 94 T N 2.283 116.825 114.554 -0.020 0.000 2.720 94 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 94 T C 2.114 176.798 174.700 -0.028 0.000 1.037 94 T CA 1.301 63.388 62.100 -0.022 0.000 1.144 94 T CB -0.478 68.380 68.868 -0.017 0.000 0.864 94 T HN 0.479 nan 8.240 nan 0.000 0.444 95 A N 0.865 123.668 122.820 -0.028 0.000 1.873 95 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 95 A C 2.584 180.141 177.584 -0.044 0.000 1.186 95 A CA 1.294 53.311 52.037 -0.034 0.000 0.616 95 A CB -0.984 17.998 19.000 -0.031 0.000 0.823 95 A HN 0.349 nan 8.150 nan 0.000 0.442 96 V N 0.390 120.278 119.914 -0.044 0.000 2.332 96 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 96 V C 2.553 178.612 176.094 -0.059 0.000 1.055 96 V CA 2.482 64.750 62.300 -0.052 0.000 1.038 96 V CB -0.686 31.111 31.823 -0.044 0.000 0.651 96 V HN 0.681 nan 8.190 nan 0.000 0.450 97 K N 0.095 120.466 120.400 -0.048 0.000 2.026 97 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 97 K C 2.229 178.795 176.600 -0.057 0.000 1.048 97 K CA 1.518 57.776 56.287 -0.048 0.000 0.929 97 K CB -0.335 32.143 32.500 -0.036 0.000 0.713 97 K HN 0.425 nan 8.250 nan 0.000 0.439 98 A N 1.271 124.059 122.820 -0.053 0.000 1.902 98 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 98 A C 2.111 179.650 177.584 -0.076 0.000 1.181 98 A CA 1.308 53.310 52.037 -0.058 0.000 0.623 98 A CB -0.607 18.364 19.000 -0.049 0.000 0.818 98 A HN 0.321 nan 8.150 nan 0.000 0.443 99 L N -0.030 121.143 121.223 -0.082 0.000 2.093 99 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 99 L C 3.050 179.825 176.870 -0.158 0.000 1.085 99 L CA 1.740 56.515 54.840 -0.110 0.000 0.755 99 L CB -0.889 41.110 42.059 -0.100 0.000 0.904 99 L HN 0.688 nan 8.230 nan 0.000 0.435 100 T N -3.013 111.455 114.554 -0.143 0.000 2.708 100 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 100 T C 1.966 176.564 174.700 -0.170 0.000 1.037 100 T CA 1.136 63.132 62.100 -0.173 0.000 1.146 100 T CB -1.101 67.694 68.868 -0.120 0.000 0.865 100 T HN 0.371 nan 8.240 nan 0.000 0.435 101 G N 1.090 109.823 108.800 -0.111 0.000 2.432 101 G HA2 0.082 4.042 3.960 -0.000 0.000 0.219 101 G HA3 0.082 4.042 3.960 -0.000 0.000 0.219 101 G C 1.707 176.558 174.900 -0.082 0.000 1.135 101 G CA 0.699 45.751 45.100 -0.080 0.000 0.767 101 G HN 0.696 nan 8.290 nan 0.000 0.550 102 G N 1.104 109.839 108.800 -0.109 0.000 2.418 102 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 102 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 102 G C 1.738 176.557 174.900 -0.135 0.000 1.158 102 G CA 0.790 45.837 45.100 -0.087 0.000 0.771 102 G HN 0.456 nan 8.290 nan 0.000 0.545 103 I N 1.277 121.655 120.570 -0.320 0.000 2.315 103 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 103 I C 3.277 179.081 176.117 -0.522 0.000 1.117 103 I CA 0.797 61.756 61.300 -0.568 0.000 1.404 103 I CB -0.226 37.217 38.000 -0.930 0.000 1.071 103 I HN 0.244 nan 8.210 nan 0.000 0.419 104 A N 0.433 123.055 122.820 -0.331 0.000 1.883 104 A HA -0.321 3.999 4.320 -0.000 0.000 0.217 104 A C 2.203 179.784 177.584 -0.006 0.000 1.186 104 A CA 2.235 54.179 52.037 -0.155 0.000 0.624 104 A CB -1.053 17.918 19.000 -0.049 0.000 0.822 104 A HN 0.515 nan 8.150 nan 0.000 0.444 105 H N -0.168 118.866 119.070 -0.061 0.000 2.352 105 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 105 H C 1.732 177.081 175.328 0.035 0.000 1.097 105 H CA 2.006 58.052 56.048 -0.004 0.000 1.311 105 H CB -0.260 29.489 29.762 -0.021 0.000 1.377 105 H HN 0.372 nan 8.280 nan 0.000 0.504 106 L N -0.949 120.288 121.223 0.022 0.000 2.131 106 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 106 L C 2.036 179.009 176.870 0.171 0.000 1.092 106 L CA 0.535 55.412 54.840 0.062 0.000 0.759 106 L CB -0.406 41.718 42.059 0.109 0.000 0.903 106 L HN 0.273 nan 8.230 nan 0.000 0.435 107 F N 0.724 120.646 119.950 -0.046 0.000 2.102 107 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 107 F C 2.621 178.391 175.800 -0.049 0.000 1.105 107 F CA 1.305 59.288 58.000 -0.029 0.000 1.239 107 F CB -0.765 38.216 39.000 -0.032 0.000 0.991 107 F HN 0.043 nan 8.300 nan 0.000 0.474 108 K N 0.382 120.850 120.400 0.113 0.000 2.002 108 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 108 K C 2.182 178.742 176.600 -0.067 0.000 1.048 108 K CA 1.730 58.016 56.287 -0.000 0.000 0.930 108 K CB -0.375 32.094 32.500 -0.052 0.000 0.714 108 K HN 0.291 nan 8.250 nan 0.000 0.438 109 Q N 0.266 119.966 119.800 -0.168 0.000 2.135 109 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 109 Q C 0.963 176.939 176.000 -0.038 0.000 0.981 109 Q CA 1.609 57.327 55.803 -0.142 0.000 0.856 109 Q CB 0.028 28.651 28.738 -0.193 0.000 0.902 109 Q HN 0.389 nan 8.270 nan 0.000 0.425 110 N N 0.172 118.874 118.700 0.004 0.000 2.270 110 N HA 0.037 4.777 4.740 -0.000 0.000 0.198 110 N C -0.630 174.877 175.510 -0.005 0.000 1.117 110 N CA 0.215 53.274 53.050 0.015 0.000 0.845 110 N CB 0.513 39.030 38.487 0.050 0.000 0.980 110 N HN 0.195 nan 8.380 nan 0.000 0.486 111 K N 0.131 120.524 120.400 -0.011 0.000 3.125 111 K HA -0.115 4.205 4.320 -0.000 0.000 0.268 111 K C -0.808 175.759 176.600 -0.055 0.000 1.078 111 K CA 0.112 56.386 56.287 -0.022 0.000 0.775 111 K CB -1.655 30.835 32.500 -0.017 0.000 1.253 111 K HN -0.042 nan 8.250 nan 0.000 0.486 112 V N 1.502 121.353 119.914 -0.105 0.000 2.498 112 V HA 0.135 4.254 4.120 -0.000 0.000 0.279 112 V C 0.750 176.730 176.094 -0.191 0.000 1.048 112 V CA -0.655 61.489 62.300 -0.260 0.000 0.967 112 V CB 1.684 33.093 31.823 -0.690 0.000 0.988 112 V HN 0.073 nan 8.190 nan 0.000 0.473 113 V N 5.674 125.506 119.914 -0.138 0.000 2.427 113 V HA 0.149 4.269 4.120 -0.000 0.000 0.268 113 V C 0.370 176.465 176.094 0.001 0.000 1.046 113 V CA -0.306 61.968 62.300 -0.042 0.000 0.970 113 V CB 0.365 32.172 31.823 -0.026 0.000 1.001 113 V HN 0.883 nan 8.190 nan 0.000 0.476 114 H N 4.885 123.936 119.070 -0.031 0.000 2.652 114 H HA 0.522 5.077 4.556 -0.000 0.000 0.298 114 H C -1.060 174.293 175.328 0.042 0.000 1.076 114 H CA -0.737 55.337 56.048 0.044 0.000 1.360 114 H CB 1.311 31.183 29.762 0.182 0.000 1.421 114 H HN 0.466 nan 8.280 nan 0.000 0.464 115 V N 5.652 125.663 119.914 0.162 0.000 2.398 115 V HA 0.038 4.158 4.120 -0.000 0.000 0.286 115 V C 0.188 176.271 176.094 -0.018 0.000 1.026 115 V CA -0.858 61.435 62.300 -0.011 0.000 0.868 115 V CB 1.226 33.069 31.823 0.034 0.000 0.982 115 V HN 0.784 nan 8.190 nan 0.000 0.443 116 N N 3.391 121.993 118.700 -0.163 0.000 2.499 116 N HA 0.674 5.414 4.740 -0.000 0.000 0.281 116 N C -0.102 175.424 175.510 0.027 0.000 1.098 116 N CA 0.885 53.902 53.050 -0.054 0.000 0.979 116 N CB 1.281 39.704 38.487 -0.106 0.000 1.121 116 N HN 1.086 nan 8.380 nan 0.000 0.466 117 G N 1.248 110.093 108.800 0.075 0.000 2.353 117 G HA2 0.032 3.992 3.960 -0.000 0.000 0.308 117 G HA3 0.032 3.992 3.960 -0.000 0.000 0.308 117 G C -2.219 172.758 174.900 0.129 0.000 1.418 117 G CA -1.023 44.138 45.100 0.101 0.000 0.966 117 G HN 0.481 nan 8.290 nan 0.000 0.638 118 Y N 1.515 121.851 120.300 0.060 0.000 2.404 118 Y HA 0.533 5.083 4.550 -0.000 0.000 0.344 118 Y C 0.983 176.921 175.900 0.063 0.000 0.995 118 Y CA 0.531 58.676 58.100 0.075 0.000 1.201 118 Y CB 1.022 39.526 38.460 0.073 0.000 1.151 118 Y HN 0.809 nan 8.280 nan 0.000 0.517 119 G N 5.475 114.343 108.800 0.114 0.000 2.372 119 G HA2 0.404 4.364 3.960 -0.000 0.000 0.283 119 G HA3 0.404 4.364 3.960 -0.000 0.000 0.283 119 G C -1.330 173.679 174.900 0.183 0.000 1.177 119 G CA -0.733 44.442 45.100 0.125 0.000 0.842 119 G HN 0.623 nan 8.290 nan 0.000 0.503 120 K N 2.157 122.642 120.400 0.143 0.000 2.482 120 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 120 K C -0.529 176.111 176.600 0.067 0.000 0.936 120 K CA -0.852 55.505 56.287 0.117 0.000 0.791 120 K CB 1.580 34.147 32.500 0.111 0.000 1.213 120 K HN 0.387 nan 8.250 nan 0.000 0.428 121 I N 4.497 125.096 120.570 0.049 0.000 2.421 121 I HA 0.031 4.201 4.170 -0.000 0.000 0.291 121 I C 1.042 177.174 176.117 0.025 0.000 1.089 121 I CA -0.042 61.277 61.300 0.032 0.000 1.354 121 I CB 1.073 39.088 38.000 0.024 0.000 1.413 121 I HN 0.789 nan 8.210 nan 0.000 0.513 122 T N 1.148 115.716 114.554 0.023 0.000 3.069 122 T HA 0.437 4.787 4.350 -0.000 0.000 0.252 122 T C 0.504 175.211 174.700 0.012 0.000 1.053 122 T CA -0.241 61.869 62.100 0.017 0.000 0.964 122 T CB 0.340 69.219 68.868 0.019 0.000 1.005 122 T HN 0.756 nan 8.240 nan 0.000 0.532 123 G N 1.302 110.108 108.800 0.011 0.000 2.519 123 G HA2 0.390 4.350 3.960 -0.000 0.000 0.292 123 G HA3 0.390 4.350 3.960 -0.000 0.000 0.292 123 G C 0.115 175.020 174.900 0.007 0.000 1.507 123 G CA -0.469 44.635 45.100 0.007 0.000 0.806 123 G HN 0.134 nan 8.290 nan 0.000 0.523 124 K N -0.939 119.463 120.400 0.004 0.000 2.360 124 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 124 K C 0.611 177.216 176.600 0.007 0.000 1.046 124 K CA 1.715 58.003 56.287 0.002 0.000 0.940 124 K CB 0.024 32.523 32.500 -0.002 0.000 0.748 124 K HN 0.259 nan 8.250 nan 0.000 0.465 125 N N 0.505 119.211 118.700 0.009 0.000 2.433 125 N HA 0.075 4.815 4.740 -0.000 0.000 0.270 125 N C -1.554 173.963 175.510 0.011 0.000 1.354 125 N CA -0.324 52.733 53.050 0.012 0.000 0.889 125 N CB 1.175 39.669 38.487 0.012 0.000 1.285 125 N HN 0.240 nan 8.380 nan 0.000 0.503 126 Q N 0.636 120.444 119.800 0.013 0.000 2.320 126 Q HA 0.455 4.795 4.340 -0.000 0.000 0.272 126 Q C -2.008 174.003 176.000 0.018 0.000 1.023 126 Q CA -0.612 55.199 55.803 0.014 0.000 0.855 126 Q CB 1.933 30.679 28.738 0.013 0.000 1.367 126 Q HN -0.057 nan 8.270 nan 0.000 0.406 127 V N 2.070 121.996 119.914 0.020 0.000 2.680 127 V HA 0.597 4.717 4.120 -0.000 0.000 0.309 127 V C -0.570 175.544 176.094 0.033 0.000 1.052 127 V CA -0.558 61.760 62.300 0.029 0.000 0.908 127 V CB 2.143 33.983 31.823 0.028 0.000 1.001 127 V HN 0.855 nan 8.190 nan 0.000 0.431 128 T N 3.604 118.184 114.554 0.043 0.000 2.786 128 T HA 0.684 5.034 4.350 -0.000 0.000 0.283 128 T C -0.086 174.654 174.700 0.067 0.000 0.992 128 T CA -0.260 61.867 62.100 0.046 0.000 0.954 128 T CB 1.482 70.374 68.868 0.039 0.000 0.934 128 T HN 0.948 nan 8.240 nan 0.000 0.440 129 A N 3.106 125.963 122.820 0.062 0.000 2.276 129 A HA 0.680 5.000 4.320 -0.000 0.000 0.316 129 A C 0.241 177.872 177.584 0.078 0.000 1.229 129 A CA -0.591 51.495 52.037 0.082 0.000 0.851 129 A CB 0.421 19.459 19.000 0.063 0.000 1.165 129 A HN 0.687 nan 8.150 nan 0.000 0.513 130 T N 3.703 118.322 114.554 0.110 0.000 2.770 130 T HA 0.321 4.671 4.350 -0.000 0.000 0.283 130 T C 0.075 174.831 174.700 0.093 0.000 0.988 130 T CA -0.448 61.702 62.100 0.082 0.000 0.957 130 T CB 0.796 69.704 68.868 0.066 0.000 0.930 130 T HN 0.671 nan 8.240 nan 0.000 0.443 131 K N 1.278 121.714 120.400 0.061 0.000 2.120 131 K HA 0.486 4.806 4.320 -0.000 0.000 0.245 131 K C 1.532 178.163 176.600 0.051 0.000 1.024 131 K CA -0.519 55.801 56.287 0.055 0.000 0.906 131 K CB 0.513 33.031 32.500 0.031 0.000 1.051 131 K HN 0.583 nan 8.250 nan 0.000 0.491 132 A N 1.555 124.405 122.820 0.050 0.000 1.978 132 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 132 A C 1.396 178.995 177.584 0.024 0.000 1.170 132 A CA 2.064 54.125 52.037 0.040 0.000 0.636 132 A CB -0.506 18.517 19.000 0.039 0.000 0.810 132 A HN 0.887 nan 8.150 nan 0.000 0.448 133 D N -1.575 118.838 120.400 0.020 0.000 2.324 133 D HA 0.235 4.875 4.640 -0.000 0.000 0.235 133 D C 1.174 177.481 176.300 0.011 0.000 1.095 133 D CA 0.975 54.983 54.000 0.013 0.000 0.871 133 D CB -0.666 40.140 40.800 0.010 0.000 0.906 133 D HN 0.729 nan 8.370 nan 0.000 0.522 134 G N -0.498 108.310 108.800 0.014 0.000 2.267 134 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.257 134 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.257 134 G C 0.755 175.662 174.900 0.012 0.000 0.998 134 G CA 0.217 45.323 45.100 0.010 0.000 0.620 134 G HN 0.822 nan 8.290 nan 0.000 0.529 135 G N 0.309 109.117 108.800 0.013 0.000 2.554 135 G HA2 0.577 4.537 3.960 -0.000 0.000 0.238 135 G HA3 0.577 4.537 3.960 -0.000 0.000 0.238 135 G C 0.409 175.320 174.900 0.018 0.000 1.259 135 G CA 1.467 46.575 45.100 0.012 0.000 0.843 135 G HN 1.562 nan 8.290 nan 0.000 0.582 136 T N -1.702 112.862 114.554 0.016 0.000 2.916 136 T HA 0.654 5.004 4.350 -0.000 0.000 0.292 136 T C -0.739 173.972 174.700 0.017 0.000 1.064 136 T CA -0.891 61.221 62.100 0.021 0.000 1.011 136 T CB 2.348 71.228 68.868 0.020 0.000 1.152 136 T HN 0.626 nan 8.240 nan 0.000 0.510 137 Q N 1.202 121.014 119.800 0.021 0.000 2.263 137 Q HA 0.583 4.923 4.340 -0.000 0.000 0.266 137 Q C -1.922 174.090 176.000 0.020 0.000 1.002 137 Q CA -0.621 55.191 55.803 0.016 0.000 0.790 137 Q CB 1.861 30.606 28.738 0.013 0.000 1.272 137 Q HN 0.752 nan 8.270 nan 0.000 0.435 138 V N 5.482 125.406 119.914 0.016 0.000 2.539 138 V HA 0.588 4.708 4.120 -0.000 0.000 0.292 138 V C -0.099 176.003 176.094 0.014 0.000 1.045 138 V CA -0.469 61.841 62.300 0.017 0.000 0.945 138 V CB 1.470 33.301 31.823 0.014 0.000 0.993 138 V HN 0.790 nan 8.190 nan 0.000 0.464 139 I N 3.316 123.895 120.570 0.015 0.000 2.468 139 I HA 0.372 4.541 4.170 -0.000 0.000 0.285 139 I C -0.830 175.293 176.117 0.010 0.000 1.039 139 I CA -0.419 60.887 61.300 0.011 0.000 1.074 139 I CB 1.856 39.861 38.000 0.010 0.000 1.228 139 I HN 0.498 nan 8.210 nan 0.000 0.436 140 D N 4.713 125.118 120.400 0.008 0.000 2.317 140 D HA 0.291 4.931 4.640 -0.000 0.000 0.234 140 D C -0.289 176.015 176.300 0.007 0.000 1.112 140 D CA 0.186 54.191 54.000 0.009 0.000 0.840 140 D CB 2.274 43.080 40.800 0.009 0.000 1.078 140 D HN 0.370 nan 8.370 nan 0.000 0.486 141 T N 1.029 115.587 114.554 0.005 0.000 2.900 141 T HA 0.205 4.555 4.350 -0.000 0.000 0.295 141 T C 0.980 175.682 174.700 0.004 0.000 1.044 141 T CA -0.624 61.476 62.100 -0.001 0.000 0.995 141 T CB 1.565 70.427 68.868 -0.011 0.000 1.072 141 T HN 0.136 nan 8.240 nan 0.000 0.473 142 K N 1.939 122.340 120.400 0.002 0.000 2.057 142 K HA 0.106 4.426 4.320 -0.000 0.000 0.206 142 K C 0.553 177.160 176.600 0.012 0.000 1.050 142 K CA 0.949 57.244 56.287 0.012 0.000 0.935 142 K CB 0.104 32.617 32.500 0.022 0.000 0.715 142 K HN 0.424 nan 8.250 nan 0.000 0.439 143 N N 0.148 118.834 118.700 -0.023 0.000 2.240 143 N HA 0.362 5.102 4.740 -0.000 0.000 0.302 143 N C -1.066 174.444 175.510 -0.001 0.000 1.106 143 N CA -0.476 52.578 53.050 0.006 0.000 0.778 143 N CB 2.260 40.698 38.487 -0.080 0.000 1.431 143 N HN -0.084 nan 8.380 nan 0.000 0.479 144 I N 1.645 122.260 120.570 0.076 0.000 2.436 144 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 144 I C -0.862 175.318 176.117 0.105 0.000 1.010 144 I CA -0.888 60.446 61.300 0.056 0.000 1.098 144 I CB 2.024 40.055 38.000 0.051 0.000 1.266 144 I HN 0.171 nan 8.210 nan 0.000 0.434 145 L N 8.440 129.683 121.223 0.034 0.000 2.318 145 L HA 0.537 4.877 4.340 -0.000 0.000 0.277 145 L C -0.582 176.312 176.870 0.039 0.000 1.008 145 L CA -0.163 54.700 54.840 0.038 0.000 0.846 145 L CB 0.864 42.886 42.059 -0.063 0.000 1.220 145 L HN 0.386 nan 8.230 nan 0.000 0.423 146 I N 5.493 126.104 120.570 0.068 0.000 2.379 146 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 146 I C 0.608 176.754 176.117 0.049 0.000 1.063 146 I CA 0.125 61.457 61.300 0.053 0.000 1.351 146 I CB 1.102 39.136 38.000 0.056 0.000 1.410 146 I HN 0.829 nan 8.210 nan 0.000 0.505 147 A N 3.862 126.706 122.820 0.040 0.000 3.176 147 A HA 0.245 4.565 4.320 -0.000 0.000 0.265 147 A C 0.959 178.576 177.584 0.054 0.000 0.936 147 A CA -0.385 51.674 52.037 0.037 0.000 1.033 147 A CB -0.348 18.664 19.000 0.019 0.000 1.158 147 A HN 0.748 nan 8.150 nan 0.000 0.485 148 T N -2.968 111.631 114.554 0.076 0.000 3.160 148 T HA 0.405 4.755 4.350 -0.000 0.000 0.257 148 T C 1.433 176.237 174.700 0.173 0.000 1.147 148 T CA 1.082 63.260 62.100 0.129 0.000 1.064 148 T CB -0.289 68.670 68.868 0.151 0.000 0.949 148 T HN 2.001 nan 8.240 nan 0.000 0.526 149 G N 1.677 110.546 108.800 0.114 0.000 2.547 149 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.271 149 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.271 149 G C 0.016 174.996 174.900 0.134 0.000 1.209 149 G CA 0.379 45.537 45.100 0.096 0.000 0.959 149 G HN 1.607 nan 8.290 nan 0.000 0.563 150 S N -0.695 115.062 115.700 0.095 0.000 2.720 150 S HA 0.832 5.302 4.470 -0.000 0.000 0.287 150 S C -0.695 173.936 174.600 0.050 0.000 1.168 150 S CA 0.408 58.673 58.200 0.109 0.000 0.832 150 S CB 2.454 65.695 63.200 0.068 0.000 1.166 150 S HN 1.869 nan 8.310 nan 0.000 0.493 151 E N -0.593 119.649 120.200 0.069 0.000 2.449 151 E HA 0.624 4.974 4.350 -0.000 0.000 0.278 151 E C -1.467 175.161 176.600 0.047 0.000 0.992 151 E CA -1.295 55.116 56.400 0.018 0.000 0.807 151 E CB 1.369 31.092 29.700 0.039 0.000 1.350 151 E HN 0.418 nan 8.360 nan 0.000 0.462 152 V N 1.465 121.400 119.914 0.034 0.000 2.655 152 V HA 0.089 4.208 4.120 -0.000 0.000 0.300 152 V C 0.119 176.252 176.094 0.065 0.000 1.044 152 V CA 0.245 62.575 62.300 0.049 0.000 1.095 152 V CB 0.986 32.834 31.823 0.041 0.000 0.952 152 V HN 0.692 nan 8.190 nan 0.000 0.485 153 T N 8.071 122.667 114.554 0.071 0.000 2.729 153 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 153 T C -2.002 172.749 174.700 0.085 0.000 0.928 153 T CA -0.623 61.520 62.100 0.071 0.000 1.045 153 T CB 0.859 69.766 68.868 0.065 0.000 0.902 153 T HN 0.614 nan 8.240 nan 0.000 0.500 154 P HA 0.219 nan 4.420 nan 0.000 0.272 154 P C -0.837 176.540 177.300 0.128 0.000 1.223 154 P CA -0.550 62.610 63.100 0.100 0.000 0.784 154 P CB 0.620 32.364 31.700 0.072 0.000 0.923 155 F N 4.347 124.302 119.950 0.008 0.000 2.404 155 F HA 0.377 4.904 4.527 -0.000 0.000 0.354 155 F C -1.962 173.838 175.800 -0.001 0.000 1.122 155 F CA -2.814 55.187 58.000 0.002 0.000 1.080 155 F CB 0.979 39.983 39.000 0.005 0.000 1.131 155 F HN 0.168 nan 8.300 nan 0.000 0.471 156 P HA 0.168 nan 4.420 nan 0.000 0.264 156 P C 0.493 177.821 177.300 0.046 0.000 1.193 156 P CA 1.010 64.038 63.100 -0.120 0.000 0.763 156 P CB 0.894 32.452 31.700 -0.237 0.000 0.810 157 G N 2.621 111.472 108.800 0.084 0.000 2.199 157 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 157 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 157 G C 0.007 174.996 174.900 0.148 0.000 0.982 157 G CA -0.101 45.068 45.100 0.115 0.000 0.632 157 G HN 0.541 nan 8.290 nan 0.000 0.529 158 I N 1.011 121.701 120.570 0.201 0.000 2.545 158 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 158 I C -0.479 175.699 176.117 0.101 0.000 1.040 158 I CA -0.746 60.635 61.300 0.135 0.000 1.068 158 I CB 2.500 40.572 38.000 0.120 0.000 1.251 158 I HN -0.012 nan 8.210 nan 0.000 0.424 159 T N 6.284 120.870 114.554 0.054 0.000 2.812 159 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 159 T C -0.123 174.591 174.700 0.023 0.000 0.990 159 T CA -0.364 61.761 62.100 0.042 0.000 0.960 159 T CB 1.235 70.121 68.868 0.031 0.000 0.948 159 T HN 0.242 nan 8.240 nan 0.000 0.438 160 I N 3.566 124.151 120.570 0.025 0.000 2.496 160 I HA 0.150 4.320 4.170 -0.000 0.000 0.285 160 I C 0.805 176.923 176.117 0.003 0.000 1.080 160 I CA 0.074 61.379 61.300 0.009 0.000 1.404 160 I CB 0.822 38.831 38.000 0.015 0.000 1.403 160 I HN 0.742 nan 8.210 nan 0.000 0.539 161 D N 3.828 124.222 120.400 -0.010 0.000 2.500 161 D HA -0.009 4.631 4.640 -0.000 0.000 0.217 161 D C 0.328 176.617 176.300 -0.019 0.000 1.159 161 D CA -0.133 53.860 54.000 -0.012 0.000 0.828 161 D CB 0.219 41.010 40.800 -0.015 0.000 1.039 161 D HN 0.399 nan 8.370 nan 0.000 0.512 162 E N -0.111 120.075 120.200 -0.023 0.000 2.883 162 E HA -0.241 4.109 4.350 -0.000 0.000 0.271 162 E C 0.094 176.669 176.600 -0.042 0.000 1.049 162 E CA 1.384 57.767 56.400 -0.029 0.000 0.817 162 E CB -1.493 28.196 29.700 -0.019 0.000 1.407 162 E HN 0.601 nan 8.360 nan 0.000 0.434 163 D N -0.795 119.576 120.400 -0.049 0.000 3.136 163 D HA 0.078 4.718 4.640 -0.000 0.000 0.254 163 D C 1.664 177.916 176.300 -0.080 0.000 1.563 163 D CA 2.111 56.076 54.000 -0.058 0.000 1.225 163 D CB -0.183 40.589 40.800 -0.046 0.000 1.079 163 D HN 0.117 nan 8.370 nan 0.000 0.314 164 T N -1.583 112.927 114.554 -0.074 0.000 2.990 164 T HA 0.356 4.706 4.350 -0.000 0.000 0.249 164 T C 0.995 175.642 174.700 -0.089 0.000 1.039 164 T CA -0.138 61.908 62.100 -0.091 0.000 1.036 164 T CB 0.412 69.233 68.868 -0.078 0.000 0.994 164 T HN 0.129 nan 8.240 nan 0.000 0.489 165 I N 3.747 124.276 120.570 -0.069 0.000 2.371 165 I HA 0.481 4.651 4.170 -0.000 0.000 0.282 165 I C -0.374 175.711 176.117 -0.054 0.000 1.031 165 I CA -1.244 60.018 61.300 -0.063 0.000 1.180 165 I CB 1.588 39.560 38.000 -0.046 0.000 1.336 165 I HN 0.104 nan 8.210 nan 0.000 0.467 166 V N 2.684 122.560 119.914 -0.063 0.000 2.881 166 V HA 0.771 4.891 4.120 -0.000 0.000 0.316 166 V C 0.247 176.327 176.094 -0.024 0.000 1.070 166 V CA -0.462 61.809 62.300 -0.047 0.000 0.976 166 V CB 1.692 33.474 31.823 -0.068 0.000 1.038 166 V HN 0.703 nan 8.190 nan 0.000 0.446 167 S N 1.118 116.815 115.700 -0.005 0.000 2.745 167 S HA 0.382 4.852 4.470 -0.000 0.000 0.292 167 S C 1.399 176.014 174.600 0.024 0.000 1.127 167 S CA 0.109 58.318 58.200 0.015 0.000 1.007 167 S CB 1.063 64.275 63.200 0.020 0.000 1.165 167 S HN 1.793 nan 8.310 nan 0.000 0.544 168 S N 0.173 115.898 115.700 0.041 0.000 2.400 168 S HA -0.147 4.323 4.470 -0.000 0.000 0.232 168 S C 1.686 176.316 174.600 0.050 0.000 1.025 168 S CA 1.763 59.998 58.200 0.058 0.000 0.993 168 S CB -1.676 61.561 63.200 0.062 0.000 0.808 168 S HN 0.781 nan 8.310 nan 0.000 0.478 169 T N 2.002 116.573 114.554 0.029 0.000 2.708 169 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 169 T C 2.067 176.780 174.700 0.023 0.000 1.037 169 T CA 1.480 63.592 62.100 0.021 0.000 1.146 169 T CB -1.100 67.771 68.868 0.004 0.000 0.865 169 T HN 0.644 nan 8.240 nan 0.000 0.435 170 G N 0.979 109.784 108.800 0.009 0.000 2.402 170 G HA2 0.010 3.970 3.960 -0.000 0.000 0.216 170 G HA3 0.010 3.970 3.960 -0.000 0.000 0.216 170 G C 1.849 176.750 174.900 0.002 0.000 1.162 170 G CA 0.810 45.906 45.100 -0.007 0.000 0.777 170 G HN 0.567 nan 8.290 nan 0.000 0.539 171 A N 0.616 123.449 122.820 0.021 0.000 1.978 171 A HA 0.062 4.381 4.320 -0.000 0.000 0.220 171 A C 2.288 180.040 177.584 0.279 0.000 1.170 171 A CA 1.106 53.188 52.037 0.075 0.000 0.636 171 A CB -0.366 18.706 19.000 0.120 0.000 0.810 171 A HN 0.366 nan 8.150 nan 0.000 0.448 172 L N -0.612 120.725 121.223 0.190 0.000 2.551 172 L HA 0.005 4.345 4.340 -0.000 0.000 0.228 172 L C 0.950 177.926 176.870 0.178 0.000 1.153 172 L CA 0.709 55.659 54.840 0.183 0.000 0.851 172 L CB 0.115 42.226 42.059 0.086 0.000 0.959 172 L HN 0.258 nan 8.230 nan 0.000 0.451 173 S N -0.603 115.190 115.700 0.155 0.000 3.031 173 S HA 0.309 4.779 4.470 -0.000 0.000 0.253 173 S C 0.321 174.964 174.600 0.073 0.000 0.996 173 S CA -0.526 57.740 58.200 0.110 0.000 1.098 173 S CB 0.345 63.574 63.200 0.047 0.000 1.042 173 S HN 0.083 nan 8.310 nan 0.000 0.593 174 L N 1.769 123.019 121.223 0.045 0.000 2.559 174 L HA 0.091 4.430 4.340 -0.000 0.000 0.282 174 L C 1.363 178.209 176.870 -0.039 0.000 1.232 174 L CA -0.035 54.711 54.840 -0.156 0.000 0.885 174 L CB 0.317 42.006 42.059 -0.617 0.000 1.131 174 L HN 0.021 nan 8.230 nan 0.000 0.498 175 K N 1.910 122.271 120.400 -0.066 0.000 2.459 175 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 175 K C -0.003 176.583 176.600 -0.023 0.000 1.030 175 K CA 0.643 56.916 56.287 -0.024 0.000 1.026 175 K CB 0.078 32.558 32.500 -0.033 0.000 0.809 175 K HN 0.440 nan 8.250 nan 0.000 0.504 176 K N -0.794 119.564 120.400 -0.069 0.000 2.551 176 K HA 0.244 4.564 4.320 -0.000 0.000 0.269 176 K C -1.315 175.220 176.600 -0.109 0.000 0.949 176 K CA -0.717 55.537 56.287 -0.055 0.000 0.849 176 K CB 1.679 34.138 32.500 -0.068 0.000 1.411 176 K HN -0.297 nan 8.250 nan 0.000 0.432 177 V N 4.746 124.653 119.914 -0.012 0.000 2.479 177 V HA 0.189 4.309 4.120 -0.000 0.000 0.281 177 V C -1.763 174.260 176.094 -0.117 0.000 1.031 177 V CA -0.993 61.311 62.300 0.007 0.000 1.038 177 V CB 0.418 32.306 31.823 0.107 0.000 0.981 177 V HN 0.720 nan 8.190 nan 0.000 0.478 178 P HA 0.130 nan 4.420 nan 0.000 0.275 178 P C 0.527 177.757 177.300 -0.117 0.000 1.228 178 P CA -0.235 62.745 63.100 -0.200 0.000 0.786 178 P CB 1.404 32.929 31.700 -0.292 0.000 0.927 179 E N 1.844 121.988 120.200 -0.093 0.000 2.072 179 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 179 E C 0.246 176.804 176.600 -0.070 0.000 0.982 179 E CA 0.994 57.356 56.400 -0.064 0.000 0.803 179 E CB 0.217 29.886 29.700 -0.052 0.000 0.755 179 E HN 0.335 nan 8.360 nan 0.000 0.453 180 K N 0.288 120.635 120.400 -0.089 0.000 2.482 180 K HA 0.361 4.681 4.320 -0.000 0.000 0.251 180 K C -1.509 175.019 176.600 -0.120 0.000 0.936 180 K CA -0.548 55.684 56.287 -0.091 0.000 0.791 180 K CB 1.745 34.201 32.500 -0.072 0.000 1.213 180 K HN 0.005 nan 8.250 nan 0.000 0.428 181 M N 4.283 123.804 119.600 -0.131 0.000 2.327 181 M HA 0.410 4.890 4.480 -0.000 0.000 0.298 181 M C -1.782 174.439 176.300 -0.131 0.000 1.065 181 M CA -0.834 54.375 55.300 -0.151 0.000 0.916 181 M CB 1.884 34.370 32.600 -0.190 0.000 1.630 181 M HN 0.337 nan 8.290 nan 0.000 0.442 182 V N 4.930 124.775 119.914 -0.114 0.000 2.483 182 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 182 V C -0.748 175.298 176.094 -0.080 0.000 1.035 182 V CA -0.648 61.597 62.300 -0.091 0.000 0.896 182 V CB 1.959 33.733 31.823 -0.082 0.000 0.986 182 V HN 0.693 nan 8.190 nan 0.000 0.447 183 V N 6.193 126.080 119.914 -0.045 0.000 2.409 183 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 183 V C -0.118 175.980 176.094 0.007 0.000 1.020 183 V CA -0.448 61.849 62.300 -0.004 0.000 0.848 183 V CB 1.723 33.584 31.823 0.064 0.000 0.990 183 V HN 0.652 nan 8.190 nan 0.000 0.430 184 I N 4.726 125.282 120.570 -0.023 0.000 2.297 184 I HA 0.660 4.830 4.170 -0.000 0.000 0.291 184 I C 0.775 176.924 176.117 0.054 0.000 1.033 184 I CA 0.073 61.355 61.300 -0.030 0.000 1.253 184 I CB 0.971 38.864 38.000 -0.178 0.000 1.396 184 I HN 0.888 nan 8.210 nan 0.000 0.476 185 G N 4.568 113.429 108.800 0.102 0.000 3.444 185 G HA2 0.103 4.063 3.960 -0.000 0.000 0.685 185 G HA3 0.103 4.063 3.960 -0.000 0.000 0.685 185 G C -0.346 174.646 174.900 0.154 0.000 1.145 185 G CA -0.376 44.802 45.100 0.131 0.000 0.973 185 G HN 0.898 nan 8.290 nan 0.000 0.525 186 A N 1.819 124.731 122.820 0.153 0.000 3.159 186 A HA 0.775 5.095 4.320 -0.000 0.000 0.301 186 A C 1.347 179.020 177.584 0.148 0.000 1.271 186 A CA 1.027 53.179 52.037 0.192 0.000 0.998 186 A CB -0.215 18.914 19.000 0.214 0.000 1.101 186 A HN 2.051 nan 8.150 nan 0.000 0.610 187 G N -1.168 107.725 108.800 0.156 0.000 2.525 187 G HA2 0.373 4.333 3.960 -0.000 0.000 0.287 187 G HA3 0.373 4.333 3.960 -0.000 0.000 0.287 187 G C 1.100 176.129 174.900 0.215 0.000 1.350 187 G CA 0.140 45.338 45.100 0.164 0.000 1.039 187 G HN 0.167 nan 8.290 nan 0.000 0.513 188 V N 0.106 120.156 119.914 0.226 0.000 2.282 188 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 188 V C 2.815 179.046 176.094 0.229 0.000 1.057 188 V CA 1.910 64.358 62.300 0.246 0.000 1.032 188 V CB -0.736 31.216 31.823 0.214 0.000 0.645 188 V HN 0.571 nan 8.190 nan 0.000 0.447 189 I N 0.452 121.134 120.570 0.188 0.000 2.252 189 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 189 I C 2.595 178.827 176.117 0.192 0.000 1.102 189 I CA 1.676 63.077 61.300 0.169 0.000 1.385 189 I CB -0.899 37.179 38.000 0.131 0.000 1.064 189 I HN 0.407 nan 8.210 nan 0.000 0.414 190 G N 0.222 109.142 108.800 0.201 0.000 2.418 190 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 190 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 190 G C 1.740 176.836 174.900 0.328 0.000 1.158 190 G CA 0.687 45.923 45.100 0.227 0.000 0.771 190 G HN 0.226 nan 8.290 nan 0.000 0.545 191 V N 0.642 120.766 119.914 0.350 0.000 2.343 191 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 191 V C 2.755 179.125 176.094 0.460 0.000 1.051 191 V CA 2.277 64.841 62.300 0.441 0.000 1.036 191 V CB -0.340 31.694 31.823 0.352 0.000 0.654 191 V HN 0.496 nan 8.190 nan 0.000 0.451 192 E N -0.201 120.199 120.200 0.333 0.000 2.047 192 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 192 E C 2.235 178.947 176.600 0.186 0.000 0.987 192 E CA 1.264 57.820 56.400 0.259 0.000 0.799 192 E CB -0.181 29.645 29.700 0.210 0.000 0.752 192 E HN 0.486 nan 8.360 nan 0.000 0.449 193 L N 0.370 121.704 121.223 0.184 0.000 2.093 193 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 193 L C 2.563 179.539 176.870 0.176 0.000 1.085 193 L CA 1.023 55.962 54.840 0.165 0.000 0.755 193 L CB -0.613 41.568 42.059 0.204 0.000 0.904 193 L HN 0.239 nan 8.230 nan 0.000 0.435 194 G N -1.155 107.740 108.800 0.157 0.000 2.408 194 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 194 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 194 G C 1.814 176.519 174.900 -0.325 0.000 1.150 194 G CA 0.975 46.002 45.100 -0.122 0.000 0.776 194 G HN 0.320 nan 8.290 nan 0.000 0.542 195 S N -0.511 115.200 115.700 0.019 0.000 2.368 195 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 195 S C 2.543 177.096 174.600 -0.079 0.000 1.029 195 S CA 1.250 59.474 58.200 0.040 0.000 0.988 195 S CB -0.273 63.089 63.200 0.271 0.000 0.838 195 S HN 0.120 nan 8.310 nan 0.000 0.462 196 V N 0.358 120.196 119.914 -0.126 0.000 2.252 196 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 196 V C 2.002 177.825 176.094 -0.450 0.000 1.056 196 V CA 2.176 64.278 62.300 -0.329 0.000 1.022 196 V CB -0.892 30.625 31.823 -0.511 0.000 0.641 196 V HN 0.675 nan 8.190 nan 0.000 0.445 197 W N -0.673 120.550 121.300 -0.128 0.000 2.402 197 W HA -0.123 4.537 4.660 0.000 0.000 0.286 197 W C 2.663 179.072 176.519 -0.183 0.000 1.221 197 W CA 1.078 58.329 57.345 -0.156 0.000 1.257 197 W CB -0.352 29.011 29.460 -0.163 0.000 1.120 197 W HN 0.170 nan 8.180 nan 0.000 0.551 198 Q N 1.431 121.183 119.800 -0.079 0.000 2.084 198 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 198 Q C 1.992 177.939 176.000 -0.088 0.000 0.978 198 Q CA 1.714 57.430 55.803 -0.145 0.000 0.844 198 Q CB -0.295 28.265 28.738 -0.295 0.000 0.898 198 Q HN 0.333 nan 8.270 nan 0.000 0.426 199 R N -0.162 120.277 120.500 -0.101 0.000 2.092 199 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 199 R C 2.365 178.678 176.300 0.021 0.000 1.119 199 R CA 1.003 57.065 56.100 -0.063 0.000 0.970 199 R CB -0.208 30.063 30.300 -0.050 0.000 0.864 199 R HN 0.258 nan 8.270 nan 0.000 0.440 200 L N -0.445 120.730 121.223 -0.081 0.000 2.610 200 L HA 0.101 4.441 4.340 -0.000 0.000 0.232 200 L C 1.147 177.980 176.870 -0.062 0.000 1.149 200 L CA 0.665 55.402 54.840 -0.170 0.000 0.872 200 L CB 0.097 42.002 42.059 -0.257 0.000 0.992 200 L HN 0.566 nan 8.230 nan 0.000 0.447 201 G N -0.828 107.972 108.800 0.000 0.000 2.229 201 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.189 201 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.189 201 G C 0.343 175.247 174.900 0.007 0.000 1.000 201 G CA -0.189 44.915 45.100 0.006 0.000 0.663 201 G HN 0.404 nan 8.290 nan 0.000 0.493 202 A N 0.369 123.202 122.820 0.021 0.000 2.351 202 A HA 0.536 4.856 4.320 -0.000 0.000 0.257 202 A C 0.101 177.652 177.584 -0.056 0.000 1.087 202 A CA 0.530 52.560 52.037 -0.013 0.000 0.798 202 A CB 0.523 19.529 19.000 0.010 0.000 1.033 202 A HN 0.389 nan 8.150 nan 0.000 0.488 203 D N 1.922 122.281 120.400 -0.069 0.000 2.380 203 D HA 0.397 5.037 4.640 -0.000 0.000 0.230 203 D C -0.852 175.375 176.300 -0.123 0.000 1.154 203 D CA 0.068 54.021 54.000 -0.078 0.000 0.859 203 D CB 0.684 41.452 40.800 -0.054 0.000 1.045 203 D HN 0.102 nan 8.370 nan 0.000 0.495 204 V N 3.523 123.324 119.914 -0.188 0.000 2.581 204 V HA 0.548 4.668 4.120 -0.000 0.000 0.303 204 V C 0.330 176.281 176.094 -0.238 0.000 1.041 204 V CA -0.539 61.592 62.300 -0.281 0.000 0.907 204 V CB 2.077 33.570 31.823 -0.551 0.000 0.994 204 V HN 0.590 nan 8.190 nan 0.000 0.442 205 T N 3.270 117.723 114.554 -0.169 0.000 2.921 205 T HA 0.719 5.069 4.350 -0.000 0.000 0.297 205 T C -0.458 174.216 174.700 -0.042 0.000 1.013 205 T CA -0.365 61.680 62.100 -0.090 0.000 0.990 205 T CB 1.723 70.557 68.868 -0.056 0.000 1.023 205 T HN 0.946 nan 8.240 nan 0.000 0.447 206 A N 2.698 125.509 122.820 -0.016 0.000 2.318 206 A HA 0.808 5.128 4.320 -0.000 0.000 0.324 206 A C -0.467 177.173 177.584 0.094 0.000 1.170 206 A CA -0.634 51.446 52.037 0.071 0.000 0.810 206 A CB 0.836 19.941 19.000 0.176 0.000 1.198 206 A HN 0.683 nan 8.150 nan 0.000 0.484 207 V N 2.030 121.996 119.914 0.086 0.000 2.435 207 V HA 0.626 4.746 4.120 -0.000 0.000 0.290 207 V C -0.225 175.942 176.094 0.123 0.000 1.030 207 V CA -0.393 61.962 62.300 0.092 0.000 0.881 207 V CB 1.312 33.166 31.823 0.051 0.000 0.983 207 V HN 1.005 nan 8.190 nan 0.000 0.445 208 E N 2.566 122.844 120.200 0.131 0.000 2.275 208 E HA 0.373 4.723 4.350 -0.000 0.000 0.270 208 E C -0.244 176.445 176.600 0.148 0.000 0.882 208 E CA -0.650 55.833 56.400 0.138 0.000 0.758 208 E CB 1.559 31.315 29.700 0.092 0.000 1.195 208 E HN 0.375 nan 8.360 nan 0.000 0.419 209 F N 4.298 124.278 119.950 0.049 0.000 2.186 209 F HA 0.114 4.641 4.527 -0.000 0.000 0.299 209 F C 0.342 176.154 175.800 0.020 0.000 1.090 209 F CA 0.822 58.849 58.000 0.045 0.000 1.307 209 F CB 0.255 39.291 39.000 0.059 0.000 1.019 209 F HN 0.405 nan 8.300 nan 0.000 0.489 210 L N -0.194 121.085 121.223 0.094 0.000 2.479 210 L HA 0.211 4.551 4.340 -0.000 0.000 0.248 210 L C 1.880 178.700 176.870 -0.083 0.000 1.205 210 L CA 0.589 55.417 54.840 -0.019 0.000 0.817 210 L CB -0.524 41.519 42.059 -0.026 0.000 1.162 210 L HN 0.142 nan 8.230 nan 0.000 0.486 211 G N -0.451 108.333 108.800 -0.027 0.000 3.262 211 G HA2 0.085 4.045 3.960 -0.000 0.000 0.228 211 G HA3 0.085 4.045 3.960 -0.000 0.000 0.228 211 G C 0.278 175.206 174.900 0.047 0.000 1.197 211 G CA 0.176 45.273 45.100 -0.005 0.000 0.819 211 G HN 0.791 nan 8.290 nan 0.000 0.531 212 H N -2.439 116.597 119.070 -0.057 0.000 3.042 212 H HA 0.473 5.029 4.556 -0.000 0.000 0.346 212 H C -1.249 174.032 175.328 -0.079 0.000 1.294 212 H CA -0.704 55.289 56.048 -0.091 0.000 1.141 212 H CB 1.137 30.850 29.762 -0.081 0.000 1.872 212 H HN 0.166 nan 8.280 nan 0.000 0.541 213 V N -1.391 118.446 119.914 -0.129 0.000 2.973 213 V HA 0.748 4.868 4.120 -0.000 0.000 0.314 213 V C 1.134 177.306 176.094 0.130 0.000 1.066 213 V CA 0.322 62.549 62.300 -0.122 0.000 1.021 213 V CB 0.745 32.366 31.823 -0.337 0.000 1.076 213 V HN 1.534 nan 8.190 nan 0.000 0.462 214 G N 0.038 108.948 108.800 0.183 0.000 2.176 214 G HA2 0.281 4.241 3.960 -0.000 0.000 0.232 214 G HA3 0.281 4.241 3.960 -0.000 0.000 0.232 214 G C 1.546 176.629 174.900 0.305 0.000 0.986 214 G CA 0.375 45.656 45.100 0.300 0.000 0.643 214 G HN 3.027 nan 8.290 nan 0.000 0.522 215 G N -1.788 107.144 108.800 0.220 0.000 2.681 215 G HA2 0.251 4.211 3.960 -0.000 0.000 0.220 215 G HA3 0.251 4.211 3.960 -0.000 0.000 0.220 215 G C 0.670 175.773 174.900 0.337 0.000 1.353 215 G CA 1.099 46.344 45.100 0.241 0.000 0.872 215 G HN 2.069 nan 8.290 nan 0.000 0.557 216 V N -1.192 118.883 119.914 0.268 0.000 2.715 216 V HA 0.635 4.755 4.120 -0.000 0.000 0.299 216 V C 1.763 178.008 176.094 0.251 0.000 1.054 216 V CA 1.282 63.723 62.300 0.235 0.000 1.077 216 V CB 0.624 32.550 31.823 0.172 0.000 0.972 216 V HN 3.064 nan 8.190 nan 0.000 0.484 217 G N 3.453 112.340 108.800 0.145 0.000 2.253 217 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.251 217 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.251 217 G C 0.245 175.070 174.900 -0.124 0.000 0.998 217 G CA 0.278 45.460 45.100 0.138 0.000 0.621 217 G HN 1.323 nan 8.290 nan 0.000 0.524 218 I N 1.927 122.305 120.570 -0.319 0.000 2.692 218 I HA 0.350 4.520 4.170 -0.000 0.000 0.284 218 I C 0.579 176.274 176.117 -0.703 0.000 1.159 218 I CA -0.094 60.605 61.300 -1.001 0.000 1.423 218 I CB 0.542 38.103 38.000 -0.731 0.000 1.380 218 I HN 0.271 nan 8.210 nan 0.000 0.580 219 D N 6.271 126.202 120.400 -0.782 0.000 2.425 219 D HA -0.011 4.629 4.640 -0.000 0.000 0.247 219 D C 1.106 177.140 176.300 -0.444 0.000 1.147 219 D CA -0.231 53.403 54.000 -0.610 0.000 0.879 219 D CB 0.928 41.227 40.800 -0.836 0.000 1.179 219 D HN 0.428 nan 8.370 nan 0.000 0.456 220 M N 2.547 121.926 119.600 -0.367 0.000 2.080 220 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 220 M C 1.845 178.026 176.300 -0.198 0.000 1.068 220 M CA 1.582 56.711 55.300 -0.286 0.000 1.109 220 M CB -1.085 31.375 32.600 -0.232 0.000 1.342 220 M HN 0.725 nan 8.290 nan 0.000 0.405 221 E N 0.344 120.433 120.200 -0.185 0.000 2.077 221 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 221 E C 1.985 178.518 176.600 -0.111 0.000 0.989 221 E CA 1.018 57.344 56.400 -0.125 0.000 0.800 221 E CB 0.134 29.770 29.700 -0.107 0.000 0.746 221 E HN 0.300 nan 8.360 nan 0.000 0.452 222 I N 1.126 121.600 120.570 -0.160 0.000 2.163 222 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 222 I C 2.664 178.747 176.117 -0.056 0.000 1.085 222 I CA 1.278 62.509 61.300 -0.115 0.000 1.347 222 I CB -1.420 36.468 38.000 -0.186 0.000 1.044 222 I HN 0.216 nan 8.210 nan 0.000 0.408 223 S N 0.606 116.245 115.700 -0.103 0.000 2.359 223 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 223 S C 2.047 176.654 174.600 0.011 0.000 1.035 223 S CA 1.336 59.538 58.200 0.004 0.000 1.018 223 S CB -0.000 63.179 63.200 -0.034 0.000 0.876 223 S HN 0.267 nan 8.310 nan 0.000 0.448 224 K N 1.476 121.849 120.400 -0.044 0.000 2.026 224 K HA -0.002 4.317 4.320 -0.000 0.000 0.208 224 K C 1.906 178.484 176.600 -0.037 0.000 1.048 224 K CA 1.401 57.653 56.287 -0.059 0.000 0.929 224 K CB -1.094 31.372 32.500 -0.057 0.000 0.713 224 K HN 0.385 nan 8.250 nan 0.000 0.439 225 N N 0.740 119.440 118.700 0.000 0.000 2.166 225 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 225 N C 1.574 177.137 175.510 0.088 0.000 1.019 225 N CA 0.733 53.802 53.050 0.031 0.000 0.856 225 N CB -0.455 38.054 38.487 0.036 0.000 0.993 225 N HN 0.109 nan 8.380 nan 0.000 0.426 226 F N 2.008 121.912 119.950 -0.077 0.000 2.102 226 F HA -0.119 4.408 4.527 0.000 0.000 0.298 226 F C 2.474 178.202 175.800 -0.120 0.000 1.105 226 F CA 1.451 59.407 58.000 -0.074 0.000 1.239 226 F CB -0.819 38.138 39.000 -0.071 0.000 0.991 226 F HN 0.097 nan 8.300 nan 0.000 0.474 227 Q N 0.417 120.029 119.800 -0.314 0.000 2.096 227 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 227 Q C 2.575 178.390 176.000 -0.308 0.000 0.982 227 Q CA 2.097 57.557 55.803 -0.572 0.000 0.850 227 Q CB -0.421 27.992 28.738 -0.542 0.000 0.901 227 Q HN 0.497 nan 8.270 nan 0.000 0.422 228 R N 0.076 120.486 120.500 -0.150 0.000 2.081 228 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 228 R C 2.247 178.535 176.300 -0.020 0.000 1.131 228 R CA 1.615 57.680 56.100 -0.058 0.000 0.960 228 R CB -0.280 30.005 30.300 -0.025 0.000 0.856 228 R HN 0.384 nan 8.270 nan 0.000 0.436 229 I N 0.831 121.394 120.570 -0.012 0.000 2.252 229 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 229 I C 2.224 178.357 176.117 0.026 0.000 1.102 229 I CA 1.096 62.418 61.300 0.036 0.000 1.385 229 I CB -0.189 37.865 38.000 0.090 0.000 1.064 229 I HN 0.236 nan 8.210 nan 0.000 0.414 230 L N -0.022 121.159 121.223 -0.070 0.000 2.046 230 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 230 L C 2.625 179.571 176.870 0.128 0.000 1.077 230 L CA 1.491 56.325 54.840 -0.009 0.000 0.747 230 L CB -0.629 41.301 42.059 -0.215 0.000 0.896 230 L HN 0.321 nan 8.230 nan 0.000 0.432 231 Q N 0.011 119.879 119.800 0.112 0.000 2.124 231 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 231 Q C 2.169 178.236 176.000 0.110 0.000 0.977 231 Q CA 1.485 57.379 55.803 0.152 0.000 0.850 231 Q CB -0.011 28.800 28.738 0.122 0.000 0.901 231 Q HN 0.403 nan 8.270 nan 0.000 0.429 232 K N 0.309 120.760 120.400 0.085 0.000 2.283 232 K HA -0.142 4.178 4.320 -0.000 0.000 0.202 232 K C 1.824 178.480 176.600 0.093 0.000 1.048 232 K CA 0.925 57.261 56.287 0.082 0.000 0.948 232 K CB 0.135 32.680 32.500 0.075 0.000 0.742 232 K HN 0.238 nan 8.250 nan 0.000 0.458 233 Q N -1.088 118.774 119.800 0.103 0.000 2.435 233 Q HA 0.025 4.365 4.340 -0.000 0.000 0.207 233 Q C 0.909 176.951 176.000 0.070 0.000 0.956 233 Q CA 0.776 56.631 55.803 0.087 0.000 0.917 233 Q CB 0.686 29.473 28.738 0.082 0.000 0.997 233 Q HN 0.518 nan 8.270 nan 0.000 0.497 234 G N 0.298 109.157 108.800 0.098 0.000 2.192 234 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.193 234 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.193 234 G C -0.393 174.565 174.900 0.097 0.000 0.999 234 G CA -0.576 44.568 45.100 0.074 0.000 0.659 234 G HN 0.277 nan 8.290 nan 0.000 0.503 235 F N 3.657 123.576 119.950 -0.051 0.000 2.444 235 F HA 0.614 5.141 4.527 -0.000 0.000 0.360 235 F C 0.661 176.316 175.800 -0.241 0.000 1.106 235 F CA -1.077 56.823 58.000 -0.166 0.000 1.170 235 F CB 0.416 39.340 39.000 -0.127 0.000 1.113 235 F HN 0.019 nan 8.300 nan 0.000 0.521 236 K N 5.867 126.337 120.400 0.117 0.000 2.110 236 K HA 0.538 4.858 4.320 -0.000 0.000 0.263 236 K C -1.355 175.064 176.600 -0.302 0.000 0.975 236 K CA -0.451 55.827 56.287 -0.016 0.000 0.895 236 K CB 1.426 33.932 32.500 0.011 0.000 1.060 236 K HN 0.386 nan 8.250 nan 0.000 0.448 237 F N 0.863 120.840 119.950 0.045 0.000 2.576 237 F HA 0.377 4.904 4.527 0.000 0.000 0.313 237 F C -0.013 175.788 175.800 0.001 0.000 1.078 237 F CA -1.029 56.971 58.000 -0.000 0.000 0.921 237 F CB 1.762 40.700 39.000 -0.104 0.000 1.232 237 F HN 0.044 nan 8.300 nan 0.000 0.459 238 K N 4.480 124.993 120.400 0.188 0.000 2.579 238 K HA 0.444 4.764 4.320 -0.000 0.000 0.225 238 K C -0.907 175.751 176.600 0.095 0.000 0.992 238 K CA -0.176 56.174 56.287 0.106 0.000 1.018 238 K CB 1.418 33.959 32.500 0.068 0.000 1.249 238 K HN 0.557 nan 8.250 nan 0.000 0.489 239 L N 1.175 122.437 121.223 0.065 0.000 2.454 239 L HA 0.271 4.611 4.340 -0.000 0.000 0.256 239 L C 0.872 177.722 176.870 -0.033 0.000 1.136 239 L CA -0.663 54.185 54.840 0.013 0.000 0.804 239 L CB 0.231 42.276 42.059 -0.024 0.000 1.181 239 L HN 0.631 nan 8.230 nan 0.000 0.469 240 N N 0.031 118.674 118.700 -0.096 0.000 2.710 240 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 240 N C -0.570 174.844 175.510 -0.159 0.000 1.059 240 N CA 0.902 53.833 53.050 -0.198 0.000 0.720 240 N CB -1.144 37.252 38.487 -0.151 0.000 0.983 240 N HN 0.679 nan 8.380 nan 0.000 0.544 241 T N 0.386 114.898 114.554 -0.071 0.000 2.861 241 T HA 0.418 4.768 4.350 -0.000 0.000 0.287 241 T C 0.233 175.023 174.700 0.149 0.000 1.003 241 T CA -0.768 61.345 62.100 0.022 0.000 0.977 241 T CB 2.868 71.764 68.868 0.047 0.000 0.996 241 T HN 0.209 nan 8.240 nan 0.000 0.448 242 K N 2.250 122.774 120.400 0.206 0.000 2.182 242 K HA 0.655 4.975 4.320 -0.000 0.000 0.262 242 K C -1.015 175.718 176.600 0.222 0.000 0.957 242 K CA -0.670 55.818 56.287 0.335 0.000 0.842 242 K CB 1.193 33.935 32.500 0.403 0.000 1.099 242 K HN 0.327 nan 8.250 nan 0.000 0.438 243 V N 4.136 124.199 119.914 0.248 0.000 2.432 243 V HA 0.075 4.195 4.120 -0.000 0.000 0.271 243 V C 1.161 177.406 176.094 0.251 0.000 1.046 243 V CA -0.145 62.252 62.300 0.162 0.000 0.945 243 V CB 1.044 32.858 31.823 -0.014 0.000 0.992 243 V HN 1.094 nan 8.190 nan 0.000 0.471 244 T N 0.764 115.412 114.554 0.157 0.000 3.044 244 T HA 0.486 4.836 4.350 -0.000 0.000 0.250 244 T C 0.694 175.481 174.700 0.146 0.000 1.081 244 T CA 0.433 62.623 62.100 0.150 0.000 1.040 244 T CB 0.455 69.380 68.868 0.096 0.000 0.962 244 T HN 1.148 nan 8.240 nan 0.000 0.506 245 G N -0.170 108.700 108.800 0.116 0.000 2.316 245 G HA2 0.580 4.539 3.960 -0.000 0.000 0.296 245 G HA3 0.580 4.539 3.960 -0.000 0.000 0.296 245 G C -2.044 172.868 174.900 0.020 0.000 1.399 245 G CA -0.425 44.730 45.100 0.092 0.000 0.833 245 G HN 0.728 nan 8.290 nan 0.000 0.565 246 A N -0.615 122.211 122.820 0.010 0.000 2.549 246 A HA 0.952 5.272 4.320 -0.000 0.000 0.297 246 A C -0.574 177.005 177.584 -0.009 0.000 1.061 246 A CA -0.343 51.680 52.037 -0.023 0.000 0.690 246 A CB 2.047 21.009 19.000 -0.063 0.000 1.287 246 A HN 1.373 nan 8.150 nan 0.000 0.402 247 T N 2.076 116.621 114.554 -0.016 0.000 2.991 247 T HA 0.359 4.709 4.350 -0.000 0.000 0.303 247 T C -0.604 174.085 174.700 -0.019 0.000 1.015 247 T CA -0.564 61.529 62.100 -0.011 0.000 1.007 247 T CB 1.261 70.126 68.868 -0.005 0.000 1.034 247 T HN 0.617 nan 8.240 nan 0.000 0.446 248 K N 2.561 122.950 120.400 -0.018 0.000 2.270 248 K HA 0.401 4.721 4.320 -0.000 0.000 0.276 248 K C 0.088 176.676 176.600 -0.019 0.000 1.023 248 K CA -0.362 55.911 56.287 -0.023 0.000 0.955 248 K CB 0.875 33.362 32.500 -0.022 0.000 0.975 248 K HN 0.392 nan 8.250 nan 0.000 0.471 249 K N 0.260 120.647 120.400 -0.022 0.000 2.281 249 K HA 0.122 4.442 4.320 -0.000 0.000 0.242 249 K C 1.158 177.747 176.600 -0.019 0.000 0.971 249 K CA -0.482 55.794 56.287 -0.018 0.000 0.834 249 K CB 1.735 34.224 32.500 -0.019 0.000 1.181 249 K HN 0.657 nan 8.250 nan 0.000 0.435 250 S N 0.272 115.963 115.700 -0.015 0.000 2.402 250 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 250 S C 1.215 175.804 174.600 -0.017 0.000 1.030 250 S CA 1.972 60.163 58.200 -0.015 0.000 1.003 250 S CB -0.494 62.699 63.200 -0.012 0.000 0.813 250 S HN 0.786 nan 8.310 nan 0.000 0.477 251 D N 0.592 120.981 120.400 -0.019 0.000 2.363 251 D HA 0.234 4.873 4.640 -0.000 0.000 0.226 251 D C 1.476 177.760 176.300 -0.027 0.000 1.020 251 D CA 0.719 54.707 54.000 -0.021 0.000 0.892 251 D CB -0.818 39.969 40.800 -0.021 0.000 0.900 251 D HN 0.665 nan 8.370 nan 0.000 0.531 252 G N -0.265 108.519 108.800 -0.028 0.000 2.195 252 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 252 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 252 G C 0.348 175.223 174.900 -0.041 0.000 0.984 252 G CA 0.175 45.254 45.100 -0.034 0.000 0.633 252 G HN 0.468 nan 8.290 nan 0.000 0.525 253 K N -0.252 120.124 120.400 -0.039 0.000 2.117 253 K HA 0.722 5.042 4.320 -0.000 0.000 0.240 253 K C 0.087 176.661 176.600 -0.043 0.000 1.031 253 K CA -0.377 55.883 56.287 -0.046 0.000 0.909 253 K CB 0.937 33.412 32.500 -0.042 0.000 1.097 253 K HN 0.224 nan 8.250 nan 0.000 0.492 254 I N 1.108 121.649 120.570 -0.049 0.000 2.465 254 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 254 I C -0.932 175.159 176.117 -0.044 0.000 1.014 254 I CA -0.791 60.481 61.300 -0.047 0.000 1.093 254 I CB 1.960 39.925 38.000 -0.059 0.000 1.267 254 I HN 0.366 nan 8.210 nan 0.000 0.431 255 D N 5.568 125.947 120.400 -0.034 0.000 2.274 255 D HA 0.369 5.009 4.640 -0.000 0.000 0.239 255 D C -0.608 175.674 176.300 -0.031 0.000 1.104 255 D CA -0.043 53.940 54.000 -0.029 0.000 0.840 255 D CB 2.042 42.831 40.800 -0.018 0.000 1.100 255 D HN 0.014 nan 8.370 nan 0.000 0.477 256 V N 2.059 121.951 119.914 -0.036 0.000 2.398 256 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 256 V C 0.345 176.428 176.094 -0.020 0.000 1.026 256 V CA -0.732 61.543 62.300 -0.041 0.000 0.868 256 V CB 1.569 33.355 31.823 -0.062 0.000 0.982 256 V HN 0.563 nan 8.190 nan 0.000 0.443 257 S N 6.834 122.530 115.700 -0.006 0.000 2.451 257 S HA 0.833 5.303 4.470 -0.000 0.000 0.301 257 S C -0.648 173.970 174.600 0.029 0.000 1.116 257 S CA -0.592 57.616 58.200 0.013 0.000 1.093 257 S CB 0.954 64.166 63.200 0.020 0.000 1.017 257 S HN 0.739 nan 8.310 nan 0.000 0.482 258 I N 0.110 120.700 120.570 0.033 0.000 3.042 258 I HA 0.802 4.972 4.170 -0.000 0.000 0.310 258 I C -0.844 175.305 176.117 0.053 0.000 1.117 258 I CA -1.056 60.275 61.300 0.051 0.000 1.003 258 I CB 2.244 40.268 38.000 0.041 0.000 1.228 258 I HN 0.615 nan 8.210 nan 0.000 0.443 259 E N 1.285 121.526 120.200 0.068 0.000 2.449 259 E HA 0.650 5.000 4.350 -0.000 0.000 0.278 259 E C -1.258 175.375 176.600 0.054 0.000 0.992 259 E CA -1.234 55.201 56.400 0.058 0.000 0.807 259 E CB 2.334 32.074 29.700 0.068 0.000 1.350 259 E HN 0.859 nan 8.360 nan 0.000 0.462 260 A N 0.655 123.493 122.820 0.030 0.000 2.425 260 A HA 0.477 4.797 4.320 -0.000 0.000 0.249 260 A C 1.041 178.624 177.584 -0.002 0.000 1.084 260 A CA 0.611 52.648 52.037 -0.000 0.000 0.781 260 A CB 0.524 19.518 19.000 -0.010 0.000 1.019 260 A HN 0.739 nan 8.150 nan 0.000 0.490 261 A N 1.704 124.471 122.820 -0.089 0.000 1.948 261 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 261 A C 2.247 179.807 177.584 -0.040 0.000 1.177 261 A CA 2.414 54.362 52.037 -0.148 0.000 0.636 261 A CB -0.917 17.635 19.000 -0.746 0.000 0.815 261 A HN 1.669 nan 8.150 nan 0.000 0.449 262 S N -1.711 113.954 115.700 -0.058 0.000 2.561 262 S HA 0.420 4.890 4.470 -0.000 0.000 0.225 262 S C 0.961 175.569 174.600 0.015 0.000 0.977 262 S CA 0.687 58.878 58.200 -0.016 0.000 0.926 262 S CB -0.682 62.500 63.200 -0.030 0.000 0.769 262 S HN 2.071 nan 8.310 nan 0.000 0.533 263 G N -0.722 108.092 108.800 0.023 0.000 2.770 263 G HA2 0.483 4.443 3.960 -0.000 0.000 0.686 263 G HA3 0.483 4.443 3.960 -0.000 0.000 0.686 263 G C 0.097 175.010 174.900 0.022 0.000 1.180 263 G CA -0.568 44.551 45.100 0.032 0.000 0.767 263 G HN 1.814 nan 8.290 nan 0.000 0.646 264 G N 0.942 109.757 108.800 0.026 0.000 2.660 264 G HA2 0.358 4.318 3.960 -0.000 0.000 0.247 264 G HA3 0.358 4.318 3.960 -0.000 0.000 0.247 264 G C 0.542 175.453 174.900 0.020 0.000 1.328 264 G CA 0.852 45.964 45.100 0.020 0.000 0.884 264 G HN 2.335 nan 8.290 nan 0.000 0.531 265 K N -1.675 118.734 120.400 0.015 0.000 3.035 265 K HA -0.033 4.287 4.320 -0.000 0.000 0.262 265 K C 0.821 177.433 176.600 0.019 0.000 1.024 265 K CA 1.357 57.653 56.287 0.014 0.000 0.748 265 K CB -1.567 30.940 32.500 0.011 0.000 1.247 265 K HN 2.317 nan 8.250 nan 0.000 0.482 266 A N 1.491 124.324 122.820 0.021 0.000 2.511 266 A HA 0.242 4.562 4.320 -0.000 0.000 0.242 266 A C 0.115 177.710 177.584 0.019 0.000 1.069 266 A CA 0.591 52.643 52.037 0.024 0.000 0.763 266 A CB 0.199 19.214 19.000 0.024 0.000 1.001 266 A HN 0.508 nan 8.150 nan 0.000 0.498 267 E N 0.347 120.558 120.200 0.019 0.000 2.460 267 E HA 0.637 4.987 4.350 -0.000 0.000 0.277 267 E C -1.759 174.848 176.600 0.011 0.000 1.010 267 E CA -0.987 55.421 56.400 0.013 0.000 0.838 267 E CB 2.015 31.722 29.700 0.012 0.000 1.448 267 E HN 0.318 nan 8.360 nan 0.000 0.462 268 V N 1.913 121.830 119.914 0.005 0.000 2.569 268 V HA 0.334 4.454 4.120 -0.000 0.000 0.301 268 V C -0.984 175.106 176.094 -0.007 0.000 1.044 268 V CA -0.751 61.548 62.300 -0.001 0.000 0.874 268 V CB 1.520 33.342 31.823 -0.002 0.000 1.002 268 V HN 0.495 nan 8.190 nan 0.000 0.424 269 I N 3.425 123.987 120.570 -0.013 0.000 2.460 269 I HA 0.573 4.743 4.170 -0.000 0.000 0.298 269 I C 0.407 176.507 176.117 -0.029 0.000 0.989 269 I CA -0.083 61.205 61.300 -0.021 0.000 1.173 269 I CB 2.095 40.081 38.000 -0.024 0.000 1.338 269 I HN 0.528 nan 8.210 nan 0.000 0.456 270 T N 4.958 119.492 114.554 -0.032 0.000 2.856 270 T HA 0.653 5.003 4.350 -0.000 0.000 0.283 270 T C -0.332 174.338 174.700 -0.049 0.000 1.008 270 T CA -0.423 61.654 62.100 -0.038 0.000 0.997 270 T CB 1.675 70.524 68.868 -0.031 0.000 0.992 270 T HN 0.851 nan 8.240 nan 0.000 0.454 271 C N 0.691 119.955 119.300 -0.059 0.000 3.291 271 C HA 0.626 5.086 4.460 -0.000 0.000 0.316 271 C C 0.601 175.542 174.990 -0.080 0.000 1.391 271 C CA -0.800 58.173 59.018 -0.074 0.000 1.394 271 C CB 1.130 28.817 27.740 -0.088 0.000 1.744 271 C HN 0.839 nan 8.230 nan 0.000 0.461 272 D N 0.056 120.398 120.400 -0.097 0.000 2.301 272 D HA 0.146 4.786 4.640 -0.000 0.000 0.206 272 D C 0.129 176.353 176.300 -0.126 0.000 0.979 272 D CA 1.232 55.171 54.000 -0.103 0.000 0.874 272 D CB 0.818 41.553 40.800 -0.108 0.000 0.968 272 D HN 0.421 nan 8.370 nan 0.000 0.510 273 V N 1.687 121.511 119.914 -0.150 0.000 2.686 273 V HA 0.277 4.396 4.120 -0.000 0.000 0.306 273 V C -1.031 174.973 176.094 -0.151 0.000 1.065 273 V CA -0.932 61.266 62.300 -0.170 0.000 0.894 273 V CB 2.875 34.546 31.823 -0.253 0.000 1.004 273 V HN -0.054 nan 8.190 nan 0.000 0.424 274 L N 5.922 127.068 121.223 -0.129 0.000 2.298 274 L HA 0.710 5.050 4.340 -0.000 0.000 0.284 274 L C -0.967 175.840 176.870 -0.106 0.000 1.013 274 L CA -0.352 54.418 54.840 -0.116 0.000 0.824 274 L CB 1.395 43.388 42.059 -0.109 0.000 1.221 274 L HN 0.642 nan 8.230 nan 0.000 0.418 275 L N 6.812 127.978 121.223 -0.094 0.000 2.272 275 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 275 L C -1.001 175.841 176.870 -0.046 0.000 1.032 275 L CA -0.128 54.676 54.840 -0.059 0.000 0.810 275 L CB 1.478 43.518 42.059 -0.032 0.000 1.205 275 L HN 0.401 nan 8.230 nan 0.000 0.422 276 V N 5.474 125.368 119.914 -0.034 0.000 2.304 276 V HA 0.291 4.411 4.120 -0.000 0.000 0.269 276 V C -0.085 176.030 176.094 0.035 0.000 1.036 276 V CA -0.347 61.938 62.300 -0.024 0.000 0.840 276 V CB 0.509 32.321 31.823 -0.018 0.000 1.036 276 V HN 0.991 nan 8.190 nan 0.000 0.466 277 C N 3.823 123.157 119.300 0.057 0.000 3.498 277 C HA 0.491 4.951 4.460 -0.000 0.000 0.218 277 C C 1.055 176.110 174.990 0.109 0.000 1.284 277 C CA -0.819 58.250 59.018 0.086 0.000 1.343 277 C CB -1.213 26.580 27.740 0.089 0.000 1.825 277 C HN 0.850 nan 8.230 nan 0.000 0.518 278 I N -0.217 120.432 120.570 0.132 0.000 3.684 278 I HA 0.623 4.793 4.170 -0.000 0.000 0.304 278 I C 0.869 177.055 176.117 0.115 0.000 1.278 278 I CA 0.776 62.165 61.300 0.148 0.000 1.272 278 I CB -0.113 38.019 38.000 0.221 0.000 1.029 278 I HN 0.790 nan 8.210 nan 0.000 0.458 279 G N 0.914 109.775 108.800 0.102 0.000 2.341 279 G HA2 0.385 4.345 3.960 -0.000 0.000 0.293 279 G HA3 0.385 4.345 3.960 -0.000 0.000 0.293 279 G C -1.527 173.418 174.900 0.075 0.000 1.298 279 G CA -1.122 44.029 45.100 0.084 0.000 0.868 279 G HN 0.174 nan 8.290 nan 0.000 0.540 280 R N -0.543 119.996 120.500 0.066 0.000 2.771 280 R HA 0.751 5.091 4.340 -0.000 0.000 0.274 280 R C -0.257 176.079 176.300 0.060 0.000 0.987 280 R CA -1.001 55.136 56.100 0.062 0.000 0.908 280 R CB 2.730 33.064 30.300 0.056 0.000 1.213 280 R HN 0.899 nan 8.270 nan 0.000 0.468 281 R N 0.437 120.979 120.500 0.069 0.000 2.808 281 R HA 0.564 4.904 4.340 -0.000 0.000 0.272 281 R C -2.934 173.423 176.300 0.095 0.000 0.995 281 R CA -2.184 53.958 56.100 0.069 0.000 0.917 281 R CB 1.796 32.134 30.300 0.064 0.000 1.217 281 R HN 0.271 nan 8.270 nan 0.000 0.471 282 P HA -0.008 nan 4.420 nan 0.000 0.268 282 P C -1.224 176.174 177.300 0.163 0.000 1.205 282 P CA 0.087 63.251 63.100 0.106 0.000 0.771 282 P CB 0.340 32.075 31.700 0.060 0.000 0.858 283 F N 3.410 123.374 119.950 0.022 0.000 2.402 283 F HA 0.409 4.936 4.527 -0.000 0.000 0.355 283 F C 0.366 176.184 175.800 0.030 0.000 1.123 283 F CA -0.146 57.872 58.000 0.029 0.000 1.021 283 F CB 1.281 40.296 39.000 0.026 0.000 1.160 283 F HN 0.318 nan 8.300 nan 0.000 0.451 284 T N 1.436 115.659 114.554 -0.550 0.000 3.475 284 T HA 0.185 4.534 4.350 -0.000 0.000 0.310 284 T C 0.086 174.487 174.700 -0.498 0.000 0.963 284 T CA -0.620 61.235 62.100 -0.408 0.000 0.985 284 T CB -0.351 68.418 68.868 -0.165 0.000 1.198 284 T HN 0.550 nan 8.240 nan 0.000 0.508 285 K N 2.468 122.304 120.400 -0.941 0.000 2.472 285 K HA 0.027 4.347 4.320 -0.000 0.000 0.280 285 K C -0.055 176.462 176.600 -0.139 0.000 1.028 285 K CA 0.187 56.188 56.287 -0.477 0.000 1.045 285 K CB -0.003 32.240 32.500 -0.428 0.000 0.902 285 K HN 0.262 nan 8.250 nan 0.000 0.478 286 N N 2.691 121.351 118.700 -0.067 0.000 2.727 286 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 286 N C 0.090 175.654 175.510 0.090 0.000 1.048 286 N CA 0.545 53.595 53.050 0.001 0.000 0.714 286 N CB -0.795 37.660 38.487 -0.054 0.000 0.959 286 N HN 0.487 nan 8.380 nan 0.000 0.544 287 L N -0.622 120.623 121.223 0.036 0.000 2.477 287 L HA 0.268 4.608 4.340 -0.000 0.000 0.220 287 L C 1.643 178.535 176.870 0.036 0.000 1.106 287 L CA 1.966 56.838 54.840 0.052 0.000 0.851 287 L CB -0.216 41.839 42.059 -0.006 0.000 0.994 287 L HN 0.545 nan 8.230 nan 0.000 0.462 288 G N -1.375 107.433 108.800 0.014 0.000 2.134 288 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.209 288 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.209 288 G C 0.953 175.851 174.900 -0.003 0.000 0.993 288 G CA 0.413 45.518 45.100 0.007 0.000 0.669 288 G HN 0.327 nan 8.290 nan 0.000 0.519 289 L N -0.229 120.987 121.223 -0.011 0.000 2.056 289 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 289 L C 2.573 179.432 176.870 -0.017 0.000 1.078 289 L CA 2.073 56.903 54.840 -0.016 0.000 0.749 289 L CB -0.351 41.694 42.059 -0.024 0.000 0.901 289 L HN 0.488 nan 8.230 nan 0.000 0.433 290 E N 0.540 120.728 120.200 -0.020 0.000 2.051 290 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 290 E C 2.055 178.646 176.600 -0.015 0.000 0.991 290 E CA 1.282 57.671 56.400 -0.019 0.000 0.799 290 E CB 0.087 29.774 29.700 -0.020 0.000 0.748 290 E HN 0.266 nan 8.360 nan 0.000 0.449 291 E N 0.323 120.515 120.200 -0.013 0.000 2.130 291 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 291 E C 1.771 178.365 176.600 -0.009 0.000 0.998 291 E CA 0.881 57.275 56.400 -0.010 0.000 0.806 291 E CB -0.303 29.393 29.700 -0.007 0.000 0.738 291 E HN 0.302 nan 8.360 nan 0.000 0.459 292 L N -0.917 120.300 121.223 -0.009 0.000 2.395 292 L HA 0.200 4.540 4.340 -0.000 0.000 0.218 292 L C 1.629 178.491 176.870 -0.014 0.000 1.130 292 L CA 1.520 56.354 54.840 -0.010 0.000 0.826 292 L CB -0.234 41.819 42.059 -0.009 0.000 0.941 292 L HN 0.408 nan 8.230 nan 0.000 0.451 293 G N -0.690 108.101 108.800 -0.015 0.000 2.157 293 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.239 293 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.239 293 G C 0.452 175.340 174.900 -0.020 0.000 0.982 293 G CA 0.099 45.189 45.100 -0.017 0.000 0.650 293 G HN 0.271 nan 8.290 nan 0.000 0.527 294 I N 2.129 122.687 120.570 -0.020 0.000 2.308 294 I HA 0.215 4.385 4.170 -0.000 0.000 0.293 294 I C 0.264 176.368 176.117 -0.021 0.000 1.078 294 I CA -0.539 60.748 61.300 -0.022 0.000 1.292 294 I CB 0.599 38.587 38.000 -0.021 0.000 1.423 294 I HN 0.046 nan 8.210 nan 0.000 0.493 295 E N 6.826 127.013 120.200 -0.022 0.000 2.354 295 E HA 0.357 4.707 4.350 -0.000 0.000 0.269 295 E C -0.280 176.308 176.600 -0.020 0.000 1.036 295 E CA -0.358 56.030 56.400 -0.021 0.000 0.876 295 E CB 1.765 31.453 29.700 -0.020 0.000 1.009 295 E HN 0.478 nan 8.360 nan 0.000 0.416 296 L N 2.207 123.418 121.223 -0.020 0.000 2.399 296 L HA 0.160 4.500 4.340 -0.000 0.000 0.265 296 L C 0.752 177.612 176.870 -0.017 0.000 1.089 296 L CA -0.947 53.882 54.840 -0.018 0.000 0.802 296 L CB 0.708 42.755 42.059 -0.020 0.000 1.180 296 L HN 0.527 nan 8.230 nan 0.000 0.454 297 D N 1.490 121.881 120.400 -0.015 0.000 2.411 297 D HA 0.124 4.764 4.640 -0.000 0.000 0.251 297 D C -1.863 174.429 176.300 -0.013 0.000 1.201 297 D CA -1.830 52.161 54.000 -0.015 0.000 0.996 297 D CB 0.013 40.803 40.800 -0.016 0.000 1.101 297 D HN 0.228 nan 8.370 nan 0.000 0.504 298 P HA -0.133 nan 4.420 nan 0.000 0.221 298 P C 0.709 178.003 177.300 -0.010 0.000 1.145 298 P CA 1.025 64.118 63.100 -0.012 0.000 0.795 298 P CB 0.183 31.876 31.700 -0.012 0.000 0.775 299 R N -1.072 119.423 120.500 -0.008 0.000 2.388 299 R HA 0.292 4.632 4.340 -0.000 0.000 0.247 299 R C 1.259 177.560 176.300 0.002 0.000 0.931 299 R CA 0.525 56.623 56.100 -0.003 0.000 1.082 299 R CB -0.261 30.038 30.300 -0.002 0.000 1.135 299 R HN 0.175 nan 8.270 nan 0.000 0.525 300 G N 1.438 110.236 108.800 -0.003 0.000 2.159 300 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.256 300 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.256 300 G C 0.019 174.920 174.900 0.001 0.000 0.977 300 G CA -0.014 45.084 45.100 -0.003 0.000 0.652 300 G HN 0.215 nan 8.290 nan 0.000 0.531 301 R N -0.429 120.072 120.500 0.002 0.000 2.577 301 R HA 0.695 5.035 4.340 -0.000 0.000 0.269 301 R C 0.910 177.211 176.300 0.002 0.000 1.084 301 R CA -0.456 55.648 56.100 0.007 0.000 1.163 301 R CB 0.539 30.841 30.300 0.003 0.000 1.100 301 R HN 0.287 nan 8.270 nan 0.000 0.547 302 I N 3.401 123.979 120.570 0.012 0.000 2.325 302 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 302 I C -1.942 174.178 176.117 0.006 0.000 1.019 302 I CA -2.135 59.170 61.300 0.009 0.000 1.302 302 I CB 1.374 39.387 38.000 0.022 0.000 1.401 302 I HN 0.246 nan 8.210 nan 0.000 0.485 303 P HA 0.077 nan 4.420 nan 0.000 0.266 303 P C -0.790 176.492 177.300 -0.030 0.000 1.215 303 P CA -0.016 63.069 63.100 -0.025 0.000 0.763 303 P CB 0.539 32.221 31.700 -0.030 0.000 0.806 304 V N 0.737 120.624 119.914 -0.046 0.000 3.040 304 V HA 0.690 4.809 4.120 -0.000 0.000 0.312 304 V C -0.126 175.885 176.094 -0.138 0.000 1.115 304 V CA -1.161 61.099 62.300 -0.067 0.000 0.998 304 V CB 2.158 33.980 31.823 -0.002 0.000 1.042 304 V HN 0.463 nan 8.190 nan 0.000 0.433 305 N N 0.272 118.885 118.700 -0.146 0.000 2.495 305 N HA 0.239 4.979 4.740 -0.000 0.000 0.294 305 N C 1.291 176.652 175.510 -0.248 0.000 1.276 305 N CA 0.218 53.175 53.050 -0.155 0.000 0.973 305 N CB -0.068 38.360 38.487 -0.098 0.000 1.143 305 N HN 0.966 nan 8.380 nan 0.000 0.589 306 T N -2.578 111.873 114.554 -0.172 0.000 2.946 306 T HA -0.091 4.259 4.350 -0.000 0.000 0.271 306 T C 0.994 175.606 174.700 -0.147 0.000 1.104 306 T CA 1.024 63.015 62.100 -0.182 0.000 1.114 306 T CB -0.300 68.523 68.868 -0.074 0.000 0.867 306 T HN 0.535 nan 8.240 nan 0.000 0.513 307 R N -0.843 119.631 120.500 -0.044 0.000 2.432 307 R HA 0.385 4.724 4.340 -0.000 0.000 0.260 307 R C -0.217 176.339 176.300 0.426 0.000 0.935 307 R CA -0.167 56.048 56.100 0.191 0.000 1.080 307 R CB 0.052 30.476 30.300 0.208 0.000 1.155 307 R HN 0.395 nan 8.270 nan 0.000 0.531 308 F N 0.224 120.256 119.950 0.136 0.000 2.965 308 F HA -0.269 4.258 4.527 -0.000 0.000 0.287 308 F C -0.159 175.721 175.800 0.134 0.000 0.790 308 F CA 0.492 58.586 58.000 0.157 0.000 1.279 308 F CB -1.890 37.226 39.000 0.193 0.000 1.409 308 F HN 0.136 nan 8.300 nan 0.000 0.446 309 Q N 0.269 120.080 119.800 0.017 0.000 2.235 309 Q HA 0.521 4.861 4.340 -0.000 0.000 0.250 309 Q C 0.911 176.806 176.000 -0.176 0.000 0.909 309 Q CA 0.018 55.620 55.803 -0.336 0.000 0.910 309 Q CB 1.676 30.148 28.738 -0.443 0.000 1.223 309 Q HN 0.354 nan 8.270 nan 0.000 0.432 310 T N -1.777 112.669 114.554 -0.180 0.000 2.793 310 T HA 0.092 4.442 4.350 -0.000 0.000 0.299 310 T C 1.024 175.657 174.700 -0.112 0.000 1.038 310 T CA -0.453 61.588 62.100 -0.098 0.000 0.948 310 T CB 0.432 69.259 68.868 -0.069 0.000 1.231 310 T HN 0.748 nan 8.240 nan 0.000 0.538 311 K N -0.324 120.030 120.400 -0.077 0.000 2.362 311 K HA 0.084 4.404 4.320 -0.000 0.000 0.200 311 K C 0.490 177.045 176.600 -0.076 0.000 1.046 311 K CA 0.891 57.136 56.287 -0.070 0.000 0.952 311 K CB -0.479 31.992 32.500 -0.049 0.000 0.753 311 K HN 0.597 nan 8.250 nan 0.000 0.466 312 I N 3.763 124.282 120.570 -0.086 0.000 2.310 312 I HA 0.107 4.277 4.170 -0.000 0.000 0.287 312 I C -1.526 174.511 176.117 -0.135 0.000 1.073 312 I CA -2.628 58.623 61.300 -0.081 0.000 1.216 312 I CB 1.295 39.261 38.000 -0.057 0.000 1.415 312 I HN -0.062 nan 8.210 nan 0.000 0.480 313 P HA -0.273 nan 4.420 nan 0.000 0.222 313 P C 0.665 177.813 177.300 -0.255 0.000 1.154 313 P CA 1.792 64.781 63.100 -0.184 0.000 0.874 313 P CB -0.097 31.549 31.700 -0.091 0.000 0.787 314 N N -0.824 117.796 118.700 -0.135 0.000 2.280 314 N HA 0.043 4.783 4.740 -0.000 0.000 0.192 314 N C 0.380 175.894 175.510 0.007 0.000 1.109 314 N CA -0.066 52.974 53.050 -0.017 0.000 0.855 314 N CB -0.051 38.461 38.487 0.042 0.000 0.974 314 N HN 0.234 nan 8.380 nan 0.000 0.482 315 I N 1.616 122.097 120.570 -0.149 0.000 2.330 315 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 315 I C -0.826 175.200 176.117 -0.151 0.000 1.001 315 I CA -0.830 60.444 61.300 -0.044 0.000 1.193 315 I CB 0.567 38.548 38.000 -0.032 0.000 1.345 315 I HN -0.158 nan 8.210 nan 0.000 0.461 316 Y N 4.447 124.755 120.300 0.013 0.000 2.567 316 Y HA 0.825 5.375 4.550 -0.000 0.000 0.333 316 Y C 0.279 176.209 175.900 0.050 0.000 1.106 316 Y CA -1.024 57.104 58.100 0.047 0.000 1.157 316 Y CB 1.810 40.296 38.460 0.044 0.000 1.277 316 Y HN 0.552 nan 8.280 nan 0.000 0.490 317 A N 1.669 124.651 122.820 0.271 0.000 2.520 317 A HA 0.866 5.186 4.320 -0.000 0.000 0.298 317 A C -1.304 176.412 177.584 0.220 0.000 1.051 317 A CA -0.564 51.582 52.037 0.182 0.000 0.690 317 A CB 1.060 20.138 19.000 0.131 0.000 1.281 317 A HN 0.778 nan 8.150 nan 0.000 0.402 318 I N -1.451 119.182 120.570 0.104 0.000 3.279 318 I HA 0.962 5.132 4.170 -0.000 0.000 0.315 318 I C 0.512 176.647 176.117 0.029 0.000 1.225 318 I CA -0.297 61.021 61.300 0.030 0.000 0.947 318 I CB 1.795 39.692 38.000 -0.172 0.000 1.293 318 I HN 2.137 nan 8.210 nan 0.000 0.468 319 G N 1.909 110.716 108.800 0.012 0.000 2.542 319 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.235 319 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.235 319 G C -0.037 174.882 174.900 0.032 0.000 1.286 319 G CA 0.560 45.667 45.100 0.011 0.000 0.904 319 G HN 0.861 nan 8.290 nan 0.000 0.577 320 D N -0.627 119.789 120.400 0.025 0.000 2.354 320 D HA 0.019 4.659 4.640 -0.000 0.000 0.216 320 D C 2.298 178.626 176.300 0.047 0.000 0.970 320 D CA 1.161 55.179 54.000 0.031 0.000 0.905 320 D CB 0.057 40.878 40.800 0.035 0.000 0.903 320 D HN 0.415 nan 8.370 nan 0.000 0.508 321 V N 0.094 120.042 119.914 0.058 0.000 3.306 321 V HA -0.005 4.115 4.120 -0.000 0.000 0.264 321 V C 0.740 176.868 176.094 0.056 0.000 1.149 321 V CA 0.395 62.732 62.300 0.062 0.000 1.143 321 V CB 0.149 32.013 31.823 0.068 0.000 0.767 321 V HN 0.026 nan 8.190 nan 0.000 0.476 322 V N -2.418 117.536 119.914 0.065 0.000 3.158 322 V HA 0.916 5.036 4.120 -0.000 0.000 0.315 322 V C 0.328 176.436 176.094 0.022 0.000 1.148 322 V CA -0.902 61.438 62.300 0.067 0.000 1.042 322 V CB 1.064 32.980 31.823 0.154 0.000 1.101 322 V HN 0.149 nan 8.190 nan 0.000 0.448 323 A N 0.171 122.982 122.820 -0.014 0.000 2.536 323 A HA 0.613 4.933 4.320 -0.000 0.000 0.234 323 A C 0.982 178.455 177.584 -0.185 0.000 1.076 323 A CA 0.910 52.894 52.037 -0.088 0.000 0.769 323 A CB -0.862 18.072 19.000 -0.110 0.000 1.020 323 A HN 2.999 nan 8.150 nan 0.000 0.508 324 G N 0.355 109.007 108.800 -0.248 0.000 2.525 324 G HA2 0.166 4.126 3.960 -0.000 0.000 0.685 324 G HA3 0.166 4.126 3.960 -0.000 0.000 0.685 324 G C -3.156 171.641 174.900 -0.173 0.000 1.290 324 G CA -0.525 44.346 45.100 -0.382 0.000 0.915 324 G HN 0.832 nan 8.290 nan 0.000 0.548 325 P HA 0.315 nan 4.420 nan 0.000 0.263 325 P C 0.449 177.719 177.300 -0.050 0.000 1.195 325 P CA 0.252 63.324 63.100 -0.046 0.000 0.762 325 P CB 0.290 31.980 31.700 -0.017 0.000 0.799 326 M N 4.257 123.841 119.600 -0.026 0.000 3.237 326 M HA 0.168 4.648 4.480 -0.000 0.000 0.266 326 M C -0.374 175.900 176.300 -0.044 0.000 1.456 326 M CA 0.584 55.871 55.300 -0.022 0.000 1.593 326 M CB -0.720 31.885 32.600 0.009 0.000 1.129 326 M HN 0.212 nan 8.290 nan 0.000 0.547 327 L N -0.380 120.776 121.223 -0.111 0.000 2.371 327 L HA 0.603 4.943 4.340 -0.000 0.000 0.262 327 L C 1.045 177.779 176.870 -0.227 0.000 1.006 327 L CA -0.615 54.105 54.840 -0.201 0.000 0.818 327 L CB 1.868 43.683 42.059 -0.406 0.000 1.354 327 L HN 0.506 nan 8.230 nan 0.000 0.415 328 A N 0.970 123.706 122.820 -0.140 0.000 1.851 328 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 328 A C 2.020 179.561 177.584 -0.071 0.000 1.195 328 A CA 1.955 53.961 52.037 -0.050 0.000 0.622 328 A CB -0.924 18.108 19.000 0.053 0.000 0.831 328 A HN 0.958 nan 8.150 nan 0.000 0.444 329 H N -0.832 118.236 119.070 -0.004 0.000 2.456 329 H HA -0.086 4.470 4.556 -0.000 0.000 0.296 329 H C 1.752 177.072 175.328 -0.013 0.000 1.079 329 H CA 1.465 57.503 56.048 -0.017 0.000 1.322 329 H CB -0.409 29.343 29.762 -0.017 0.000 1.388 329 H HN 0.458 nan 8.280 nan 0.000 0.538 330 K N 1.871 122.078 120.400 -0.321 0.000 2.025 330 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 330 K C 2.390 178.958 176.600 -0.053 0.000 1.049 330 K CA 1.271 57.490 56.287 -0.114 0.000 0.933 330 K CB -0.397 32.038 32.500 -0.109 0.000 0.714 330 K HN 0.299 nan 8.250 nan 0.000 0.438 331 A N 1.779 124.551 122.820 -0.079 0.000 1.883 331 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 331 A C 2.019 179.541 177.584 -0.103 0.000 1.186 331 A CA 1.941 53.936 52.037 -0.070 0.000 0.624 331 A CB -0.531 18.436 19.000 -0.054 0.000 0.822 331 A HN 0.561 nan 8.150 nan 0.000 0.444 332 E N -0.383 119.759 120.200 -0.097 0.000 2.051 332 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 332 E C 1.677 178.204 176.600 -0.122 0.000 0.991 332 E CA 1.330 57.654 56.400 -0.127 0.000 0.799 332 E CB -0.320 29.319 29.700 -0.103 0.000 0.748 332 E HN 0.574 nan 8.360 nan 0.000 0.449 333 D N 0.690 121.039 120.400 -0.085 0.000 2.123 333 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 333 D C 1.754 177.960 176.300 -0.156 0.000 0.992 333 D CA 1.056 55.002 54.000 -0.090 0.000 0.833 333 D CB -0.051 40.717 40.800 -0.053 0.000 0.954 333 D HN 0.211 nan 8.370 nan 0.000 0.455 334 E N -0.266 119.814 120.200 -0.201 0.000 2.110 334 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 334 E C 2.214 178.542 176.600 -0.453 0.000 0.988 334 E CA 0.954 57.093 56.400 -0.437 0.000 0.804 334 E CB -0.210 29.215 29.700 -0.459 0.000 0.745 334 E HN 0.309 nan 8.360 nan 0.000 0.458 335 G N 1.303 109.930 108.800 -0.287 0.000 2.418 335 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 335 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 335 G C 1.597 176.376 174.900 -0.203 0.000 1.158 335 G CA 0.573 45.530 45.100 -0.237 0.000 0.771 335 G HN 0.112 nan 8.290 nan 0.000 0.545 336 I N 1.443 121.912 120.570 -0.168 0.000 2.142 336 I HA -0.147 4.023 4.170 -0.000 0.000 0.240 336 I C 2.758 178.813 176.117 -0.102 0.000 1.078 336 I CA 1.346 62.576 61.300 -0.117 0.000 1.343 336 I CB -0.221 37.725 38.000 -0.091 0.000 1.046 336 I HN 0.332 nan 8.210 nan 0.000 0.405 337 I N -1.748 118.751 120.570 -0.118 0.000 2.546 337 I HA -0.230 3.940 4.170 -0.000 0.000 0.255 337 I C 2.764 178.844 176.117 -0.062 0.000 1.163 337 I CA 1.038 62.301 61.300 -0.061 0.000 1.457 337 I CB -0.829 37.161 38.000 -0.016 0.000 1.092 337 I HN 0.324 nan 8.210 nan 0.000 0.434 338 C N 1.888 121.079 119.300 -0.181 0.000 2.453 338 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 338 C C 2.955 177.830 174.990 -0.190 0.000 1.262 338 C CA 1.319 60.237 59.018 -0.166 0.000 1.718 338 C CB -0.973 26.588 27.740 -0.299 0.000 2.031 338 C HN 0.604 nan 8.230 nan 0.000 0.480 339 V N -0.686 119.120 119.914 -0.181 0.000 2.591 339 V HA -0.049 4.071 4.120 -0.000 0.000 0.249 339 V C 2.205 178.303 176.094 0.007 0.000 1.053 339 V CA 2.174 64.386 62.300 -0.146 0.000 1.068 339 V CB -1.114 30.642 31.823 -0.111 0.000 0.689 339 V HN 0.604 nan 8.190 nan 0.000 0.462 340 E N 1.471 121.675 120.200 0.006 0.000 2.110 340 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 340 E C 2.290 178.924 176.600 0.057 0.000 0.988 340 E CA 1.398 57.822 56.400 0.041 0.000 0.804 340 E CB -0.572 29.138 29.700 0.018 0.000 0.745 340 E HN 0.730 nan 8.360 nan 0.000 0.458 341 G N 0.935 109.760 108.800 0.042 0.000 2.418 341 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.217 341 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.217 341 G C 1.534 176.482 174.900 0.080 0.000 1.158 341 G CA 0.627 45.772 45.100 0.075 0.000 0.771 341 G HN 0.109 nan 8.290 nan 0.000 0.545 342 M N 0.838 120.442 119.600 0.007 0.000 2.202 342 M HA -0.007 4.473 4.480 -0.000 0.000 0.262 342 M C 2.552 178.999 176.300 0.246 0.000 1.063 342 M CA 1.203 56.515 55.300 0.021 0.000 1.097 342 M CB -0.036 32.408 32.600 -0.260 0.000 1.382 342 M HN 0.287 nan 8.290 nan 0.000 0.413 343 A N -0.278 122.707 122.820 0.275 0.000 2.291 343 A HA 0.417 4.737 4.320 -0.000 0.000 0.220 343 A C 1.555 179.196 177.584 0.095 0.000 1.262 343 A CA 0.642 52.801 52.037 0.204 0.000 0.867 343 A CB -0.957 18.095 19.000 0.088 0.000 0.888 343 A HN 0.671 nan 8.150 nan 0.000 0.487 344 G N -1.813 107.049 108.800 0.103 0.000 2.176 344 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.253 344 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.253 344 G C 0.830 175.764 174.900 0.057 0.000 0.979 344 G CA 0.334 45.477 45.100 0.072 0.000 0.641 344 G HN 1.388 nan 8.290 nan 0.000 0.530 345 G N -0.003 108.832 108.800 0.057 0.000 2.653 345 G HA2 0.691 4.651 3.960 -0.000 0.000 0.265 345 G HA3 0.691 4.651 3.960 -0.000 0.000 0.265 345 G C 0.610 175.544 174.900 0.056 0.000 1.237 345 G CA 0.462 45.589 45.100 0.045 0.000 0.946 345 G HN 1.536 nan 8.290 nan 0.000 0.522 346 A N -1.394 121.456 122.820 0.049 0.000 2.322 346 A HA 0.553 4.873 4.320 -0.000 0.000 0.269 346 A C -0.356 177.281 177.584 0.088 0.000 1.094 346 A CA -0.277 51.798 52.037 0.063 0.000 0.807 346 A CB 0.987 20.013 19.000 0.044 0.000 1.047 346 A HN 0.895 nan 8.150 nan 0.000 0.487 347 V N 4.317 124.303 119.914 0.120 0.000 2.349 347 V HA 0.372 4.492 4.120 -0.000 0.000 0.284 347 V C -0.452 175.750 176.094 0.180 0.000 1.014 347 V CA -0.294 62.099 62.300 0.156 0.000 0.826 347 V CB 0.789 32.728 31.823 0.193 0.000 1.009 347 V HN 0.959 nan 8.190 nan 0.000 0.431 348 H N 5.226 124.327 119.070 0.051 0.000 2.877 348 H HA 0.670 5.226 4.556 -0.000 0.000 0.347 348 H C -2.054 173.259 175.328 -0.024 0.000 1.042 348 H CA -0.569 55.486 56.048 0.013 0.000 1.276 348 H CB 2.409 32.165 29.762 -0.010 0.000 1.681 348 H HN 0.596 nan 8.280 nan 0.000 0.521 349 I N 4.546 124.834 120.570 -0.471 0.000 2.569 349 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 349 I C -1.472 174.265 176.117 -0.633 0.000 1.088 349 I CA -0.442 60.598 61.300 -0.433 0.000 1.047 349 I CB 1.894 39.649 38.000 -0.409 0.000 1.237 349 I HN 0.559 nan 8.210 nan 0.000 0.421 350 D N 5.808 125.955 120.400 -0.422 0.000 2.460 350 D HA 0.217 4.857 4.640 -0.000 0.000 0.232 350 D C 0.112 176.278 176.300 -0.224 0.000 1.079 350 D CA -0.071 53.776 54.000 -0.256 0.000 0.864 350 D CB 0.488 41.267 40.800 -0.037 0.000 1.048 350 D HN 0.462 nan 8.370 nan 0.000 0.523 351 Y N 2.313 122.610 120.300 -0.004 0.000 2.497 351 Y HA -0.101 4.449 4.550 -0.000 0.000 0.292 351 Y C 2.097 178.015 175.900 0.031 0.000 1.137 351 Y CA 0.696 58.807 58.100 0.018 0.000 1.285 351 Y CB -0.360 38.112 38.460 0.019 0.000 0.991 351 Y HN 0.400 nan 8.280 nan 0.000 0.556 352 N N -0.706 118.077 118.700 0.140 0.000 2.520 352 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 352 N C 0.684 176.243 175.510 0.082 0.000 1.068 352 N CA 1.017 54.135 53.050 0.113 0.000 0.911 352 N CB -0.243 38.299 38.487 0.092 0.000 0.961 352 N HN 0.204 nan 8.380 nan 0.000 0.446 353 C N 0.165 119.497 119.300 0.054 0.000 2.780 353 C HA 0.371 4.831 4.460 -0.000 0.000 0.287 353 C C 0.633 175.642 174.990 0.032 0.000 1.288 353 C CA -0.870 58.168 59.018 0.034 0.000 1.713 353 C CB -1.392 26.357 27.740 0.016 0.000 1.955 353 C HN 0.283 nan 8.230 nan 0.000 0.613 354 V N 2.054 122.007 119.914 0.065 0.000 2.432 354 V HA 0.565 4.685 4.120 -0.000 0.000 0.275 354 V C -2.333 173.791 176.094 0.050 0.000 1.043 354 V CA -1.600 60.757 62.300 0.095 0.000 0.925 354 V CB 1.143 33.060 31.823 0.156 0.000 0.985 354 V HN 0.120 nan 8.190 nan 0.000 0.466 355 P HA 0.416 nan 4.420 nan 0.000 0.276 355 P C -0.570 176.609 177.300 -0.201 0.000 1.252 355 P CA -0.258 62.745 63.100 -0.162 0.000 0.802 355 P CB 1.391 32.957 31.700 -0.222 0.000 1.035 356 S N -0.346 114.998 115.700 -0.594 0.000 2.526 356 S HA 0.601 5.071 4.470 -0.000 0.000 0.293 356 S C -0.507 173.622 174.600 -0.784 0.000 1.092 356 S CA -0.568 57.175 58.200 -0.761 0.000 0.980 356 S CB 1.419 63.773 63.200 -1.410 0.000 1.048 356 S HN 0.270 nan 8.310 nan 0.000 0.483 357 V N 2.988 122.601 119.914 -0.502 0.000 2.925 357 V HA 0.584 4.704 4.120 -0.000 0.000 0.311 357 V C -1.049 174.844 176.094 -0.335 0.000 1.104 357 V CA -0.650 61.352 62.300 -0.496 0.000 0.954 357 V CB 1.953 33.381 31.823 -0.659 0.000 1.022 357 V HN 0.821 nan 8.190 nan 0.000 0.427 358 I N 3.131 123.507 120.570 -0.324 0.000 2.439 358 I HA 0.353 4.523 4.170 -0.000 0.000 0.285 358 I C -0.831 175.194 176.117 -0.154 0.000 1.021 358 I CA -0.440 60.816 61.300 -0.074 0.000 1.091 358 I CB 1.898 39.881 38.000 -0.028 0.000 1.242 358 I HN 0.636 nan 8.210 nan 0.000 0.439 359 Y N 3.704 124.013 120.300 0.016 0.000 2.547 359 Y HA 0.051 4.601 4.550 -0.000 0.000 0.325 359 Y C 1.705 177.626 175.900 0.036 0.000 1.165 359 Y CA -0.510 57.592 58.100 0.002 0.000 1.300 359 Y CB -0.565 37.890 38.460 -0.008 0.000 1.126 359 Y HN 0.528 nan 8.280 nan 0.000 0.513 360 T N -2.722 111.951 114.554 0.200 0.000 2.715 360 T HA 0.110 4.460 4.350 -0.000 0.000 0.320 360 T C -0.523 174.268 174.700 0.153 0.000 1.046 360 T CA -0.436 61.804 62.100 0.234 0.000 0.983 360 T CB 0.823 69.933 68.868 0.404 0.000 1.183 360 T HN 0.391 nan 8.240 nan 0.000 0.522 361 H N 1.219 120.337 119.070 0.079 0.000 2.906 361 H HA 0.439 4.995 4.556 -0.000 0.000 0.324 361 H C -2.654 172.739 175.328 0.107 0.000 0.973 361 H CA -1.793 54.245 56.048 -0.017 0.000 1.321 361 H CB 1.320 30.961 29.762 -0.200 0.000 1.535 361 H HN 0.475 nan 8.280 nan 0.000 0.518 362 P HA 0.032 nan 4.420 nan 0.000 0.270 362 P C -0.493 176.714 177.300 -0.155 0.000 1.223 362 P CA -0.145 62.752 63.100 -0.337 0.000 0.785 362 P CB 1.623 33.228 31.700 -0.158 0.000 0.923 363 E N -0.132 119.915 120.200 -0.254 0.000 2.342 363 E HA 0.415 4.765 4.350 -0.000 0.000 0.257 363 E C -0.573 175.864 176.600 -0.273 0.000 1.150 363 E CA -0.895 55.366 56.400 -0.231 0.000 0.926 363 E CB 0.884 30.433 29.700 -0.252 0.000 1.074 363 E HN 0.197 nan 8.360 nan 0.000 0.449 364 V N 0.245 119.976 119.914 -0.306 0.000 2.760 364 V HA 0.757 4.877 4.120 -0.000 0.000 0.309 364 V C -0.856 175.183 176.094 -0.092 0.000 1.077 364 V CA -0.787 61.377 62.300 -0.227 0.000 0.910 364 V CB 1.619 33.183 31.823 -0.432 0.000 1.008 364 V HN 0.788 nan 8.190 nan 0.000 0.424 365 A N 3.734 126.598 122.820 0.073 0.000 2.566 365 A HA 0.976 5.296 4.320 -0.000 0.000 0.297 365 A C -1.756 175.953 177.584 0.208 0.000 1.059 365 A CA -0.591 51.431 52.037 -0.025 0.000 0.691 365 A CB 1.610 20.498 19.000 -0.187 0.000 1.282 365 A HN 1.777 nan 8.150 nan 0.000 0.401 366 W N 0.101 121.330 121.300 -0.118 0.000 3.066 366 W HA 0.756 5.416 4.660 -0.000 0.000 0.330 366 W C -2.004 174.426 176.519 -0.148 0.000 1.253 366 W CA -1.110 56.130 57.345 -0.174 0.000 1.187 366 W CB 1.130 30.510 29.460 -0.133 0.000 1.434 366 W HN 1.096 nan 8.180 nan 0.000 0.572 367 V N 2.657 122.567 119.914 -0.007 0.000 2.969 367 V HA 0.839 4.959 4.120 -0.000 0.000 0.304 367 V C 0.226 176.337 176.094 0.028 0.000 1.192 367 V CA 0.485 62.777 62.300 -0.013 0.000 0.962 367 V CB 1.321 33.114 31.823 -0.050 0.000 1.045 367 V HN 2.233 nan 8.190 nan 0.000 0.428 368 G N 5.419 114.272 108.800 0.088 0.000 2.484 368 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.225 368 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.225 368 G C -0.889 174.100 174.900 0.148 0.000 1.250 368 G CA -0.050 45.106 45.100 0.093 0.000 0.926 368 G HN 0.885 nan 8.290 nan 0.000 0.581 369 K N 0.805 121.281 120.400 0.127 0.000 2.123 369 K HA 0.662 4.982 4.320 -0.000 0.000 0.259 369 K C 0.760 177.476 176.600 0.193 0.000 0.960 369 K CA 0.127 56.489 56.287 0.126 0.000 0.872 369 K CB 1.599 34.124 32.500 0.041 0.000 1.079 369 K HN 1.049 nan 8.250 nan 0.000 0.440 370 S N 0.214 115.953 115.700 0.066 0.000 2.707 370 S HA 0.209 4.679 4.470 -0.000 0.000 0.276 370 S C 0.996 175.436 174.600 -0.266 0.000 1.179 370 S CA -0.570 57.524 58.200 -0.177 0.000 0.992 370 S CB 1.179 64.227 63.200 -0.253 0.000 1.030 370 S HN 0.545 nan 8.310 nan 0.000 0.554 371 E N 0.527 120.506 120.200 -0.368 0.000 2.106 371 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 371 E C 1.729 178.227 176.600 -0.169 0.000 0.984 371 E CA 1.372 57.559 56.400 -0.355 0.000 0.806 371 E CB -0.186 29.399 29.700 -0.192 0.000 0.750 371 E HN 0.691 nan 8.360 nan 0.000 0.458 372 E N 0.980 121.091 120.200 -0.148 0.000 2.110 372 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 372 E C 1.985 178.554 176.600 -0.052 0.000 0.988 372 E CA 1.112 57.461 56.400 -0.085 0.000 0.804 372 E CB -0.117 29.515 29.700 -0.113 0.000 0.745 372 E HN 0.281 nan 8.360 nan 0.000 0.458 373 Q N -0.110 119.652 119.800 -0.065 0.000 2.079 373 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 373 Q C 2.255 178.249 176.000 -0.010 0.000 0.974 373 Q CA 0.945 56.734 55.803 -0.023 0.000 0.840 373 Q CB -0.129 28.606 28.738 -0.004 0.000 0.898 373 Q HN 0.282 nan 8.270 nan 0.000 0.430 374 L N 0.616 121.809 121.223 -0.050 0.000 2.046 374 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 374 L C 2.309 179.235 176.870 0.094 0.000 1.077 374 L CA 1.296 56.134 54.840 -0.004 0.000 0.747 374 L CB -0.379 41.592 42.059 -0.146 0.000 0.896 374 L HN 0.151 nan 8.230 nan 0.000 0.432 375 K N 0.262 120.728 120.400 0.111 0.000 2.026 375 K HA -0.212 4.107 4.320 -0.000 0.000 0.208 375 K C 2.005 178.643 176.600 0.064 0.000 1.048 375 K CA 1.838 58.197 56.287 0.120 0.000 0.929 375 K CB -0.178 32.384 32.500 0.104 0.000 0.713 375 K HN 0.482 nan 8.250 nan 0.000 0.439 376 E N 1.036 121.260 120.200 0.039 0.000 2.204 376 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 376 E C 1.242 177.862 176.600 0.033 0.000 0.989 376 E CA 1.136 57.553 56.400 0.029 0.000 0.824 376 E CB -0.046 29.665 29.700 0.019 0.000 0.756 376 E HN 0.369 nan 8.360 nan 0.000 0.477 377 E N 0.253 120.477 120.200 0.040 0.000 2.371 377 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 377 E C 0.801 177.429 176.600 0.046 0.000 1.012 377 E CA 0.353 56.778 56.400 0.041 0.000 0.860 377 E CB 0.293 30.018 29.700 0.042 0.000 0.811 377 E HN 0.515 nan 8.360 nan 0.000 0.502 378 G N 1.438 110.272 108.800 0.056 0.000 2.142 378 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.225 378 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.225 378 G C 0.011 174.951 174.900 0.066 0.000 1.015 378 G CA -0.285 44.847 45.100 0.053 0.000 0.716 378 G HN 0.096 nan 8.290 nan 0.000 0.508 379 I N 0.690 121.320 120.570 0.100 0.000 2.353 379 I HA 0.382 4.552 4.170 -0.000 0.000 0.293 379 I C 0.361 176.585 176.117 0.179 0.000 0.992 379 I CA -1.078 60.296 61.300 0.124 0.000 1.268 379 I CB 1.331 39.406 38.000 0.125 0.000 1.387 379 I HN 0.012 nan 8.210 nan 0.000 0.478 380 E N 6.433 126.699 120.200 0.110 0.000 2.229 380 E HA 0.327 4.677 4.350 -0.000 0.000 0.283 380 E C -1.013 175.655 176.600 0.113 0.000 1.030 380 E CA -0.084 56.341 56.400 0.042 0.000 0.836 380 E CB 1.370 31.068 29.700 -0.004 0.000 1.068 380 E HN 0.492 nan 8.360 nan 0.000 0.401 381 Y N -0.013 120.292 120.300 0.008 0.000 2.644 381 Y HA 0.594 5.144 4.550 -0.000 0.000 0.338 381 Y C -0.616 175.288 175.900 0.006 0.000 1.119 381 Y CA -1.378 56.729 58.100 0.012 0.000 1.060 381 Y CB 1.059 39.530 38.460 0.018 0.000 1.294 381 Y HN 0.255 nan 8.280 nan 0.000 0.472 382 K N 0.678 121.202 120.400 0.208 0.000 2.350 382 K HA 0.878 5.198 4.320 -0.000 0.000 0.241 382 K C -1.829 174.908 176.600 0.229 0.000 0.994 382 K CA -1.073 55.281 56.287 0.111 0.000 0.839 382 K CB 2.603 35.136 32.500 0.054 0.000 1.244 382 K HN 0.531 nan 8.250 nan 0.000 0.443 383 V N 0.293 120.296 119.914 0.149 0.000 2.680 383 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 383 V C -0.177 175.968 176.094 0.084 0.000 1.052 383 V CA -0.658 61.726 62.300 0.139 0.000 0.908 383 V CB 1.820 33.727 31.823 0.139 0.000 1.001 383 V HN 0.985 nan 8.190 nan 0.000 0.431 384 G N 2.969 111.812 108.800 0.073 0.000 2.643 384 G HA2 0.740 4.700 3.960 -0.000 0.000 0.305 384 G HA3 0.740 4.700 3.960 -0.000 0.000 0.305 384 G C -1.216 173.718 174.900 0.057 0.000 1.387 384 G CA -0.646 44.491 45.100 0.061 0.000 0.982 384 G HN 0.594 nan 8.290 nan 0.000 0.501 385 K N 0.652 121.092 120.400 0.067 0.000 2.477 385 K HA 0.609 4.929 4.320 -0.000 0.000 0.255 385 K C -2.057 174.567 176.600 0.041 0.000 0.952 385 K CA -0.833 55.474 56.287 0.033 0.000 0.826 385 K CB 3.105 35.601 32.500 -0.007 0.000 1.331 385 K HN 0.390 nan 8.250 nan 0.000 0.437 386 F N 3.538 123.355 119.950 -0.221 0.000 2.607 386 F HA 0.324 4.851 4.527 -0.000 0.000 0.322 386 F C -2.607 172.903 175.800 -0.482 0.000 1.176 386 F CA -1.770 56.022 58.000 -0.346 0.000 0.977 386 F CB 1.907 40.746 39.000 -0.268 0.000 1.242 386 F HN 0.281 nan 8.300 nan 0.000 0.465 387 P HA 0.179 nan 4.420 nan 0.000 0.284 387 P C 0.314 177.359 177.300 -0.424 0.000 1.253 387 P CA -0.121 62.605 63.100 -0.623 0.000 0.800 387 P CB 1.020 32.288 31.700 -0.721 0.000 0.961 388 F N 1.723 121.639 119.950 -0.056 0.000 2.546 388 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 388 F C 2.510 178.317 175.800 0.012 0.000 1.120 388 F CA 1.375 59.400 58.000 0.041 0.000 1.456 388 F CB -1.075 37.949 39.000 0.041 0.000 1.088 388 F HN 0.361 nan 8.300 nan 0.000 0.572 389 A N -0.262 122.596 122.820 0.062 0.000 2.070 389 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 389 A C 2.189 179.799 177.584 0.044 0.000 1.159 389 A CA 1.459 53.526 52.037 0.050 0.000 0.656 389 A CB -0.818 18.184 19.000 0.003 0.000 0.800 389 A HN 0.238 nan 8.150 nan 0.000 0.453 390 A N -0.639 122.154 122.820 -0.045 0.000 2.387 390 A HA 0.186 4.506 4.320 -0.000 0.000 0.234 390 A C 0.702 178.470 177.584 0.307 0.000 1.253 390 A CA -0.253 51.813 52.037 0.048 0.000 0.894 390 A CB -0.290 18.584 19.000 -0.210 0.000 0.963 390 A HN 0.483 nan 8.150 nan 0.000 0.508 391 N N 0.209 119.107 118.700 0.330 0.000 2.434 391 N HA 0.137 4.877 4.740 -0.000 0.000 0.272 391 N C 0.526 176.176 175.510 0.234 0.000 1.040 391 N CA 0.147 53.410 53.050 0.355 0.000 0.956 391 N CB 1.253 39.983 38.487 0.405 0.000 1.108 391 N HN 0.062 nan 8.380 nan 0.000 0.481 392 S N 3.516 119.326 115.700 0.183 0.000 2.359 392 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 392 S C 1.734 176.372 174.600 0.063 0.000 1.035 392 S CA 1.031 59.301 58.200 0.117 0.000 1.018 392 S CB -0.117 63.134 63.200 0.086 0.000 0.876 392 S HN 0.666 nan 8.310 nan 0.000 0.448 393 R N 0.914 121.434 120.500 0.034 0.000 2.081 393 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 393 R C 2.414 178.756 176.300 0.070 0.000 1.131 393 R CA 1.271 57.387 56.100 0.027 0.000 0.960 393 R CB -0.471 29.838 30.300 0.015 0.000 0.856 393 R HN 0.381 nan 8.270 nan 0.000 0.436 394 A N 1.136 124.030 122.820 0.123 0.000 1.883 394 A HA -0.233 4.086 4.320 -0.000 0.000 0.217 394 A C 2.061 179.710 177.584 0.110 0.000 1.186 394 A CA 1.888 53.997 52.037 0.120 0.000 0.624 394 A CB -0.467 18.663 19.000 0.217 0.000 0.822 394 A HN 0.261 nan 8.150 nan 0.000 0.444 395 K N -0.482 119.991 120.400 0.121 0.000 2.057 395 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 395 K C 1.949 178.597 176.600 0.080 0.000 1.049 395 K CA 2.199 58.548 56.287 0.103 0.000 0.931 395 K CB -0.821 31.744 32.500 0.109 0.000 0.714 395 K HN 0.428 nan 8.250 nan 0.000 0.440 396 T N 1.032 115.628 114.554 0.070 0.000 2.833 396 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 396 T C 1.247 175.976 174.700 0.048 0.000 1.054 396 T CA 1.460 63.591 62.100 0.052 0.000 1.135 396 T CB -0.261 68.629 68.868 0.038 0.000 0.869 396 T HN 0.246 nan 8.240 nan 0.000 0.466 397 N N 0.643 119.378 118.700 0.058 0.000 2.422 397 N HA 0.279 5.019 4.740 -0.000 0.000 0.181 397 N C 1.013 176.569 175.510 0.076 0.000 1.080 397 N CA 0.704 53.791 53.050 0.062 0.000 0.893 397 N CB 0.058 38.588 38.487 0.071 0.000 0.973 397 N HN 0.411 nan 8.380 nan 0.000 0.456 398 A N 0.748 123.615 122.820 0.078 0.000 3.009 398 A HA -0.190 4.130 4.320 -0.000 0.000 0.264 398 A C -0.235 177.414 177.584 0.108 0.000 1.408 398 A CA 0.891 52.979 52.037 0.085 0.000 0.789 398 A CB -2.077 16.967 19.000 0.074 0.000 1.040 398 A HN 0.295 nan 8.150 nan 0.000 0.576 399 D N -0.069 120.396 120.400 0.108 0.000 2.363 399 D HA 0.499 5.139 4.640 -0.000 0.000 0.258 399 D C 0.888 177.232 176.300 0.074 0.000 1.259 399 D CA 0.544 54.617 54.000 0.121 0.000 0.921 399 D CB 0.421 41.315 40.800 0.156 0.000 1.201 399 D HN 0.560 nan 8.370 nan 0.000 0.524 400 T N -1.090 113.520 114.554 0.094 0.000 3.129 400 T HA 0.229 4.579 4.350 -0.000 0.000 0.267 400 T C 0.397 175.176 174.700 0.132 0.000 1.018 400 T CA -0.569 61.605 62.100 0.122 0.000 0.903 400 T CB 0.121 69.063 68.868 0.123 0.000 1.067 400 T HN 0.016 nan 8.240 nan 0.000 0.549 401 D N 1.983 122.435 120.400 0.086 0.000 2.382 401 D HA 0.495 5.135 4.640 -0.000 0.000 0.240 401 D C 1.216 177.608 176.300 0.154 0.000 1.146 401 D CA 1.555 55.611 54.000 0.093 0.000 0.897 401 D CB 0.716 41.554 40.800 0.062 0.000 1.197 401 D HN 0.603 nan 8.370 nan 0.000 0.432 402 G N -0.130 108.766 108.800 0.159 0.000 2.660 402 G HA2 0.084 4.044 3.960 -0.000 0.000 0.215 402 G HA3 0.084 4.044 3.960 -0.000 0.000 0.215 402 G C -0.465 174.573 174.900 0.230 0.000 1.345 402 G CA 0.061 45.294 45.100 0.222 0.000 0.877 402 G HN 0.790 nan 8.290 nan 0.000 0.549 403 M N -3.351 116.375 119.600 0.210 0.000 2.949 403 M HA 0.748 5.228 4.480 -0.000 0.000 0.270 403 M C -1.304 174.981 176.300 -0.026 0.000 1.221 403 M CA -1.196 54.065 55.300 -0.064 0.000 0.818 403 M CB 1.756 34.300 32.600 -0.093 0.000 1.635 403 M HN 1.034 nan 8.290 nan 0.000 0.492 404 V N 1.527 121.358 119.914 -0.138 0.000 2.459 404 V HA 0.624 4.744 4.120 -0.000 0.000 0.295 404 V C -0.821 175.300 176.094 0.044 0.000 1.029 404 V CA -0.435 61.876 62.300 0.018 0.000 0.874 404 V CB 1.827 33.661 31.823 0.020 0.000 0.985 404 V HN 0.786 nan 8.190 nan 0.000 0.438 405 K N 5.324 125.790 120.400 0.111 0.000 2.413 405 K HA 0.608 4.928 4.320 -0.000 0.000 0.257 405 K C -1.440 175.254 176.600 0.156 0.000 0.946 405 K CA -0.595 55.754 56.287 0.103 0.000 0.823 405 K CB 1.187 33.734 32.500 0.079 0.000 1.109 405 K HN 0.477 nan 8.250 nan 0.000 0.427 406 I N 5.848 126.476 120.570 0.097 0.000 2.404 406 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 406 I C -0.401 175.771 176.117 0.091 0.000 0.992 406 I CA -0.850 60.501 61.300 0.084 0.000 1.149 406 I CB 1.460 39.453 38.000 -0.012 0.000 1.315 406 I HN 0.617 nan 8.210 nan 0.000 0.446 407 L N 5.423 126.703 121.223 0.096 0.000 2.287 407 L HA 0.681 5.021 4.340 -0.000 0.000 0.287 407 L C 0.429 177.344 176.870 0.076 0.000 1.022 407 L CA -0.436 54.442 54.840 0.064 0.000 0.814 407 L CB 1.781 43.800 42.059 -0.068 0.000 1.217 407 L HN 0.684 nan 8.230 nan 0.000 0.420 408 G N 1.590 110.463 108.800 0.120 0.000 2.482 408 G HA2 0.347 4.307 3.960 -0.000 0.000 0.317 408 G HA3 0.347 4.307 3.960 -0.000 0.000 0.317 408 G C -1.188 173.794 174.900 0.138 0.000 1.241 408 G CA -0.384 44.777 45.100 0.101 0.000 0.967 408 G HN 0.390 nan 8.290 nan 0.000 0.482 409 Q N 0.830 120.694 119.800 0.107 0.000 2.311 409 Q HA 0.042 4.381 4.340 -0.000 0.000 0.272 409 Q C 1.404 177.456 176.000 0.086 0.000 1.012 409 Q CA 0.036 55.905 55.803 0.110 0.000 0.891 409 Q CB 1.272 30.058 28.738 0.080 0.000 1.201 409 Q HN 0.721 nan 8.270 nan 0.000 0.391 410 K N 1.926 122.374 120.400 0.080 0.000 2.113 410 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 410 K C 1.381 177.996 176.600 0.026 0.000 1.047 410 K CA 2.097 58.407 56.287 0.038 0.000 0.928 410 K CB 0.296 32.798 32.500 0.003 0.000 0.716 410 K HN 0.493 nan 8.250 nan 0.000 0.446 411 S N -1.331 114.387 115.700 0.030 0.000 2.506 411 S HA -0.045 4.425 4.470 -0.000 0.000 0.230 411 S C 1.710 176.327 174.600 0.028 0.000 1.066 411 S CA 0.891 59.104 58.200 0.023 0.000 0.940 411 S CB 0.467 63.679 63.200 0.020 0.000 0.818 411 S HN 0.607 nan 8.310 nan 0.000 0.518 412 T N -1.100 113.475 114.554 0.035 0.000 3.100 412 T HA 0.121 4.471 4.350 -0.000 0.000 0.253 412 T C 0.522 175.245 174.700 0.038 0.000 1.118 412 T CA 0.961 63.082 62.100 0.035 0.000 1.058 412 T CB -0.244 68.647 68.868 0.038 0.000 0.953 412 T HN 0.184 nan 8.240 nan 0.000 0.515 413 D N 0.216 120.641 120.400 0.042 0.000 3.079 413 D HA -0.174 4.466 4.640 -0.000 0.000 0.214 413 D C 0.089 176.415 176.300 0.043 0.000 1.145 413 D CA 0.682 54.706 54.000 0.041 0.000 0.958 413 D CB -1.264 39.557 40.800 0.036 0.000 1.117 413 D HN 0.557 nan 8.370 nan 0.000 0.416 414 R N 0.077 120.606 120.500 0.049 0.000 2.449 414 R HA 0.365 4.704 4.340 -0.000 0.000 0.296 414 R C -0.493 175.841 176.300 0.057 0.000 1.047 414 R CA -0.173 55.959 56.100 0.053 0.000 1.018 414 R CB 0.610 30.943 30.300 0.055 0.000 0.962 414 R HN -0.007 nan 8.270 nan 0.000 0.428 415 V N 7.777 127.725 119.914 0.056 0.000 2.529 415 V HA 0.010 4.130 4.120 -0.000 0.000 0.292 415 V C 1.216 177.349 176.094 0.065 0.000 1.028 415 V CA 0.288 62.623 62.300 0.057 0.000 1.074 415 V CB 0.675 32.537 31.823 0.064 0.000 0.958 415 V HN 0.787 nan 8.190 nan 0.000 0.481 416 L N 3.828 125.087 121.223 0.060 0.000 2.575 416 L HA 0.530 4.870 4.340 -0.000 0.000 0.228 416 L C 0.969 177.872 176.870 0.056 0.000 1.075 416 L CA 0.582 55.454 54.840 0.054 0.000 0.867 416 L CB 0.431 42.513 42.059 0.038 0.000 1.097 416 L HN 0.800 nan 8.230 nan 0.000 0.485 417 G N -0.007 108.830 108.800 0.062 0.000 2.702 417 G HA2 0.649 4.609 3.960 -0.000 0.000 0.296 417 G HA3 0.649 4.609 3.960 -0.000 0.000 0.296 417 G C -2.011 172.897 174.900 0.014 0.000 1.463 417 G CA 0.001 45.128 45.100 0.045 0.000 0.890 417 G HN -0.016 nan 8.290 nan 0.000 0.534 418 A N 1.787 124.509 122.820 -0.162 0.000 2.374 418 A HA 0.867 5.187 4.320 -0.000 0.000 0.305 418 A C -1.032 176.357 177.584 -0.325 0.000 1.053 418 A CA -0.724 51.298 52.037 -0.024 0.000 0.726 418 A CB 1.230 20.360 19.000 0.215 0.000 1.229 418 A HN 0.759 nan 8.150 nan 0.000 0.431 419 H N 2.342 121.510 119.070 0.164 0.000 2.744 419 H HA 0.476 5.032 4.556 -0.000 0.000 0.339 419 H C -1.311 174.098 175.328 0.135 0.000 1.004 419 H CA -0.231 55.905 56.048 0.147 0.000 1.257 419 H CB 1.603 31.380 29.762 0.024 0.000 1.552 419 H HN 0.553 nan 8.280 nan 0.000 0.522 420 I N 3.990 124.691 120.570 0.220 0.000 2.436 420 I HA 0.177 4.347 4.170 -0.000 0.000 0.289 420 I C -0.752 175.453 176.117 0.146 0.000 1.010 420 I CA -0.847 60.573 61.300 0.200 0.000 1.098 420 I CB 2.293 40.395 38.000 0.170 0.000 1.266 420 I HN 0.206 nan 8.210 nan 0.000 0.434 421 L N 6.637 127.966 121.223 0.178 0.000 2.372 421 L HA 0.977 5.317 4.340 -0.000 0.000 0.273 421 L C -0.186 176.773 176.870 0.148 0.000 0.989 421 L CA 0.374 55.262 54.840 0.080 0.000 0.841 421 L CB 1.033 43.130 42.059 0.063 0.000 1.225 421 L HN 0.830 nan 8.230 nan 0.000 0.414 422 G N 4.215 112.977 108.800 -0.063 0.000 2.350 422 G HA2 0.156 4.116 3.960 -0.000 0.000 0.282 422 G HA3 0.156 4.116 3.960 -0.000 0.000 0.282 422 G C -3.366 171.205 174.900 -0.549 0.000 1.314 422 G CA -0.514 44.402 45.100 -0.307 0.000 0.915 422 G HN 0.486 nan 8.290 nan 0.000 0.499 423 P HA 0.327 nan 4.420 nan 0.000 0.268 423 P C 1.080 178.118 177.300 -0.436 0.000 1.205 423 P CA 1.825 64.611 63.100 -0.525 0.000 0.771 423 P CB 0.800 32.249 31.700 -0.419 0.000 0.858 424 G N 2.486 111.147 108.800 -0.232 0.000 2.180 424 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 424 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 424 G C 1.145 175.963 174.900 -0.135 0.000 0.989 424 G CA 0.593 45.607 45.100 -0.144 0.000 0.692 424 G HN 0.729 nan 8.290 nan 0.000 0.526 425 A N -0.012 122.706 122.820 -0.170 0.000 1.908 425 A HA 0.192 4.511 4.320 -0.000 0.000 0.218 425 A C 2.847 180.323 177.584 -0.180 0.000 1.181 425 A CA 2.317 54.276 52.037 -0.129 0.000 0.627 425 A CB -1.039 17.884 19.000 -0.129 0.000 0.818 425 A HN 1.615 nan 8.150 nan 0.000 0.445 426 G N -0.661 107.990 108.800 -0.247 0.000 2.440 426 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 426 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 426 G C 1.422 176.206 174.900 -0.194 0.000 1.154 426 G CA 1.077 45.994 45.100 -0.304 0.000 0.767 426 G HN 0.501 nan 8.290 nan 0.000 0.552 427 E N -0.137 119.984 120.200 -0.131 0.000 2.076 427 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 427 E C 2.365 178.886 176.600 -0.131 0.000 0.979 427 E CA 0.437 56.776 56.400 -0.101 0.000 0.807 427 E CB -0.449 29.215 29.700 -0.060 0.000 0.761 427 E HN 0.494 nan 8.360 nan 0.000 0.454 428 M N 0.717 120.233 119.600 -0.139 0.000 2.202 428 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 428 M C 2.183 178.299 176.300 -0.306 0.000 1.063 428 M CA 0.995 56.178 55.300 -0.196 0.000 1.097 428 M CB 0.017 32.543 32.600 -0.124 0.000 1.382 428 M HN -0.035 nan 8.290 nan 0.000 0.413 429 V N 1.378 121.146 119.914 -0.243 0.000 2.867 429 V HA -0.241 3.879 4.120 -0.000 0.000 0.260 429 V C 1.677 177.634 176.094 -0.229 0.000 1.099 429 V CA 1.753 63.905 62.300 -0.246 0.000 1.122 429 V CB -0.836 30.861 31.823 -0.210 0.000 0.708 429 V HN 0.575 nan 8.190 nan 0.000 0.490 430 N N 0.072 118.649 118.700 -0.204 0.000 2.270 430 N HA -0.169 4.571 4.740 -0.000 0.000 0.181 430 N C 1.779 177.208 175.510 -0.134 0.000 1.016 430 N CA 1.481 54.439 53.050 -0.152 0.000 0.870 430 N CB -0.108 38.303 38.487 -0.126 0.000 0.979 430 N HN 0.712 nan 8.380 nan 0.000 0.431 431 E N 1.310 121.393 120.200 -0.195 0.000 2.051 431 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 431 E C 1.880 178.401 176.600 -0.131 0.000 0.991 431 E CA 1.122 57.425 56.400 -0.162 0.000 0.799 431 E CB 0.006 29.559 29.700 -0.245 0.000 0.748 431 E HN 0.276 nan 8.360 nan 0.000 0.449 432 A N 1.217 123.850 122.820 -0.311 0.000 1.902 432 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 432 A C 2.416 180.021 177.584 0.035 0.000 1.181 432 A CA 1.907 53.907 52.037 -0.061 0.000 0.623 432 A CB -0.840 18.078 19.000 -0.136 0.000 0.818 432 A HN 0.438 nan 8.150 nan 0.000 0.443 433 A N -0.493 122.307 122.820 -0.033 0.000 1.902 433 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 433 A C 2.120 179.727 177.584 0.038 0.000 1.181 433 A CA 1.731 53.765 52.037 -0.005 0.000 0.623 433 A CB -0.629 18.343 19.000 -0.046 0.000 0.818 433 A HN 0.745 nan 8.150 nan 0.000 0.443 434 L N -0.063 121.189 121.223 0.047 0.000 2.042 434 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 434 L C 2.623 179.619 176.870 0.210 0.000 1.076 434 L CA 2.284 57.195 54.840 0.119 0.000 0.749 434 L CB -0.959 41.168 42.059 0.114 0.000 0.893 434 L HN 0.349 nan 8.230 nan 0.000 0.432 435 A N -0.368 122.564 122.820 0.187 0.000 1.883 435 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 435 A C 2.259 179.959 177.584 0.193 0.000 1.186 435 A CA 2.069 54.236 52.037 0.216 0.000 0.624 435 A CB -0.943 18.208 19.000 0.252 0.000 0.822 435 A HN 0.512 nan 8.150 nan 0.000 0.444 436 L N -1.095 120.213 121.223 0.143 0.000 2.141 436 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 436 L C 2.569 179.486 176.870 0.079 0.000 1.094 436 L CA 1.667 56.570 54.840 0.105 0.000 0.763 436 L CB -0.618 41.488 42.059 0.079 0.000 0.908 436 L HN 0.412 nan 8.230 nan 0.000 0.437 437 E N -0.097 120.136 120.200 0.055 0.000 2.204 437 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 437 E C 1.523 178.059 176.600 -0.108 0.000 0.989 437 E CA 1.233 57.609 56.400 -0.039 0.000 0.824 437 E CB -0.086 29.561 29.700 -0.088 0.000 0.756 437 E HN 0.404 nan 8.360 nan 0.000 0.477 438 Y N -0.721 119.596 120.300 0.028 0.000 2.461 438 Y HA 0.247 4.797 4.550 -0.000 0.000 0.277 438 Y C 1.320 177.236 175.900 0.027 0.000 1.182 438 Y CA 0.520 58.634 58.100 0.024 0.000 1.276 438 Y CB 0.525 39.000 38.460 0.025 0.000 1.087 438 Y HN 0.130 nan 8.280 nan 0.000 0.519 439 G N 0.724 109.610 108.800 0.144 0.000 2.305 439 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.287 439 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.287 439 G C 0.464 175.433 174.900 0.114 0.000 1.036 439 G CA 0.076 45.241 45.100 0.107 0.000 0.887 439 G HN 0.650 nan 8.290 nan 0.000 0.505 440 A N -0.242 122.658 122.820 0.133 0.000 2.507 440 A HA 0.662 4.982 4.320 -0.000 0.000 0.235 440 A C 1.102 178.727 177.584 0.069 0.000 1.070 440 A CA 0.979 53.076 52.037 0.101 0.000 0.768 440 A CB 0.336 19.403 19.000 0.111 0.000 1.011 440 A HN 2.092 nan 8.150 nan 0.000 0.502 441 S N -0.021 115.707 115.700 0.047 0.000 2.690 441 S HA 0.310 4.780 4.470 -0.000 0.000 0.291 441 S C 0.974 175.581 174.600 0.013 0.000 1.138 441 S CA -0.163 58.057 58.200 0.034 0.000 1.013 441 S CB 0.837 64.055 63.200 0.030 0.000 1.053 441 S HN 0.734 nan 8.310 nan 0.000 0.539 442 C N 0.662 119.963 119.300 0.002 0.000 2.425 442 C HA -0.016 4.443 4.460 -0.000 0.000 0.277 442 C C 2.651 177.619 174.990 -0.037 0.000 1.280 442 C CA 1.040 60.036 59.018 -0.035 0.000 1.744 442 C CB -1.580 26.145 27.740 -0.025 0.000 1.989 442 C HN 1.079 nan 8.230 nan 0.000 0.491 443 E N 1.064 121.260 120.200 -0.007 0.000 2.077 443 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 443 E C 1.497 178.090 176.600 -0.012 0.000 0.989 443 E CA 1.259 57.656 56.400 -0.006 0.000 0.800 443 E CB -0.122 29.585 29.700 0.011 0.000 0.746 443 E HN 0.561 nan 8.360 nan 0.000 0.452 444 D N 0.509 120.907 120.400 -0.003 0.000 2.116 444 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 444 D C 2.048 178.352 176.300 0.006 0.000 0.998 444 D CA 1.233 55.232 54.000 -0.001 0.000 0.836 444 D CB -0.219 40.584 40.800 0.006 0.000 0.951 444 D HN 0.341 nan 8.370 nan 0.000 0.449 445 I N 1.158 121.728 120.570 0.000 0.000 2.252 445 I HA -0.191 3.978 4.170 -0.000 0.000 0.245 445 I C 2.526 178.648 176.117 0.009 0.000 1.102 445 I CA 0.874 62.187 61.300 0.022 0.000 1.385 445 I CB -0.190 37.763 38.000 -0.080 0.000 1.064 445 I HN -0.099 nan 8.210 nan 0.000 0.414 446 A N 0.556 123.340 122.820 -0.060 0.000 2.019 446 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 446 A C 2.248 179.815 177.584 -0.029 0.000 1.164 446 A CA 1.250 53.241 52.037 -0.077 0.000 0.644 446 A CB -0.352 18.599 19.000 -0.083 0.000 0.805 446 A HN 0.233 nan 8.150 nan 0.000 0.449 447 R N -0.415 120.080 120.500 -0.009 0.000 2.193 447 R HA 0.078 4.418 4.340 -0.000 0.000 0.213 447 R C 0.310 176.624 176.300 0.023 0.000 1.055 447 R CA 0.194 56.290 56.100 -0.006 0.000 0.995 447 R CB -0.901 29.390 30.300 -0.015 0.000 0.893 447 R HN 0.358 nan 8.270 nan 0.000 0.459 448 V N 1.522 121.476 119.914 0.067 0.000 2.572 448 V HA -0.030 4.090 4.120 -0.000 0.000 0.291 448 V C 0.719 176.898 176.094 0.142 0.000 1.039 448 V CA -0.761 61.578 62.300 0.065 0.000 1.055 448 V CB 1.214 33.060 31.823 0.038 0.000 0.969 448 V HN 0.261 nan 8.190 nan 0.000 0.482 449 C N 7.155 126.485 119.300 0.050 0.000 2.540 449 C HA 0.345 4.805 4.460 -0.000 0.000 0.377 449 C C 0.384 175.411 174.990 0.061 0.000 1.274 449 C CA -0.418 58.645 59.018 0.075 0.000 1.718 449 C CB -1.800 25.953 27.740 0.021 0.000 2.391 449 C HN 0.900 nan 8.230 nan 0.000 0.565 450 H N 3.498 122.578 119.070 0.018 0.000 2.467 450 H HA 0.553 5.109 4.556 -0.000 0.000 0.331 450 H C 0.629 175.986 175.328 0.048 0.000 1.120 450 H CA 0.566 56.634 56.048 0.034 0.000 1.270 450 H CB 1.242 31.029 29.762 0.042 0.000 1.466 450 H HN 0.903 nan 8.280 nan 0.000 0.504 451 A N 1.991 124.895 122.820 0.140 0.000 2.466 451 A HA 0.233 4.553 4.320 -0.000 0.000 0.238 451 A C -0.460 177.213 177.584 0.149 0.000 1.074 451 A CA 0.186 52.291 52.037 0.114 0.000 0.774 451 A CB -0.210 18.828 19.000 0.064 0.000 1.015 451 A HN 0.902 nan 8.150 nan 0.000 0.498 452 H N 1.526 120.626 119.070 0.050 0.000 2.589 452 H HA 0.635 5.191 4.556 -0.000 0.000 0.351 452 H C -2.604 172.750 175.328 0.042 0.000 1.074 452 H CA -1.459 54.618 56.048 0.047 0.000 1.203 452 H CB 1.586 31.370 29.762 0.037 0.000 1.558 452 H HN 0.580 nan 8.280 nan 0.000 0.522 453 P HA 0.296 nan 4.420 nan 0.000 0.300 453 P C -1.286 175.899 177.300 -0.191 0.000 1.326 453 P CA -0.572 62.136 63.100 -0.655 0.000 0.844 453 P CB 1.766 33.066 31.700 -0.668 0.000 0.992 454 T N -1.077 113.429 114.554 -0.080 0.000 2.896 454 T HA 0.359 4.709 4.350 -0.000 0.000 0.297 454 T C 1.175 175.920 174.700 0.075 0.000 1.108 454 T CA -0.921 61.190 62.100 0.017 0.000 1.004 454 T CB 0.954 69.857 68.868 0.059 0.000 1.159 454 T HN 0.121 nan 8.240 nan 0.000 0.499 455 L N 1.425 122.716 121.223 0.113 0.000 2.191 455 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 455 L C 2.997 180.016 176.870 0.248 0.000 1.103 455 L CA 1.537 56.515 54.840 0.231 0.000 0.769 455 L CB -0.643 41.513 42.059 0.162 0.000 0.908 455 L HN 0.951 nan 8.230 nan 0.000 0.438 456 S N -0.649 115.154 115.700 0.171 0.000 2.469 456 S HA -0.185 4.285 4.470 -0.000 0.000 0.238 456 S C 1.611 176.264 174.600 0.088 0.000 0.998 456 S CA 0.932 59.248 58.200 0.193 0.000 0.957 456 S CB -0.315 63.047 63.200 0.270 0.000 0.764 456 S HN 0.499 nan 8.310 nan 0.000 0.514 457 E N 1.471 121.682 120.200 0.018 0.000 2.204 457 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 457 E C 2.321 178.718 176.600 -0.338 0.000 0.990 457 E CA 0.984 57.290 56.400 -0.157 0.000 0.821 457 E CB -0.397 29.266 29.700 -0.062 0.000 0.750 457 E HN 0.781 nan 8.360 nan 0.000 0.477 458 A N 0.763 123.434 122.820 -0.247 0.000 1.969 458 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 458 A C 1.900 179.316 177.584 -0.280 0.000 1.169 458 A CA 0.851 52.623 52.037 -0.441 0.000 0.635 458 A CB -0.532 18.228 19.000 -0.400 0.000 0.810 458 A HN 0.335 nan 8.150 nan 0.000 0.445 459 F N 0.482 120.284 119.950 -0.248 0.000 2.163 459 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 459 F C 2.302 177.953 175.800 -0.248 0.000 1.094 459 F CA 1.716 59.615 58.000 -0.168 0.000 1.290 459 F CB -0.245 38.720 39.000 -0.059 0.000 1.017 459 F HN 0.194 nan 8.300 nan 0.000 0.483 460 R N 0.455 120.708 120.500 -0.412 0.000 2.081 460 R HA -0.140 4.199 4.340 -0.000 0.000 0.235 460 R C 2.138 178.180 176.300 -0.429 0.000 1.131 460 R CA 1.788 57.547 56.100 -0.570 0.000 0.960 460 R CB -0.383 29.426 30.300 -0.818 0.000 0.856 460 R HN 0.322 nan 8.270 nan 0.000 0.436 461 E N 0.069 119.980 120.200 -0.482 0.000 2.106 461 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 461 E C 1.874 178.344 176.600 -0.217 0.000 0.984 461 E CA 1.112 57.245 56.400 -0.445 0.000 0.806 461 E CB -0.061 29.013 29.700 -1.043 0.000 0.750 461 E HN 0.449 nan 8.360 nan 0.000 0.458 462 A N 1.900 124.592 122.820 -0.213 0.000 1.930 462 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 462 A C 1.926 179.439 177.584 -0.119 0.000 1.175 462 A CA 1.131 53.129 52.037 -0.066 0.000 0.627 462 A CB -0.382 18.585 19.000 -0.056 0.000 0.815 462 A HN 0.159 nan 8.150 nan 0.000 0.443 463 N N -0.363 118.181 118.700 -0.261 0.000 2.188 463 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 463 N C 1.699 177.148 175.510 -0.103 0.000 1.018 463 N CA 1.444 54.359 53.050 -0.225 0.000 0.858 463 N CB -0.282 37.989 38.487 -0.359 0.000 0.989 463 N HN 0.427 nan 8.380 nan 0.000 0.426 464 L N 1.658 122.822 121.223 -0.097 0.000 1.994 464 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 464 L C 2.269 179.192 176.870 0.089 0.000 1.071 464 L CA 1.672 56.506 54.840 -0.010 0.000 0.745 464 L CB -0.910 41.125 42.059 -0.040 0.000 0.892 464 L HN 0.067 nan 8.230 nan 0.000 0.431 465 A N -0.455 122.418 122.820 0.088 0.000 1.940 465 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 465 A C 2.436 180.072 177.584 0.086 0.000 1.176 465 A CA 2.075 54.189 52.037 0.127 0.000 0.631 465 A CB -1.230 17.862 19.000 0.152 0.000 0.814 465 A HN 0.622 nan 8.150 nan 0.000 0.446 466 A N -1.455 121.397 122.820 0.052 0.000 1.930 466 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 466 A C 2.455 180.068 177.584 0.047 0.000 1.175 466 A CA 2.054 54.116 52.037 0.042 0.000 0.627 466 A CB -0.701 18.312 19.000 0.023 0.000 0.815 466 A HN 0.484 nan 8.150 nan 0.000 0.443 467 S N -2.051 113.685 115.700 0.060 0.000 2.356 467 S HA 0.011 4.481 4.470 -0.000 0.000 0.219 467 S C 1.634 176.312 174.600 0.131 0.000 1.036 467 S CA 1.171 59.418 58.200 0.079 0.000 0.965 467 S CB -0.342 62.900 63.200 0.069 0.000 0.864 467 S HN 0.559 nan 8.310 nan 0.000 0.471 468 F N 0.950 120.897 119.950 -0.006 0.000 2.387 468 F HA 0.322 4.849 4.527 -0.000 0.000 0.294 468 F C 1.628 177.431 175.800 0.004 0.000 1.093 468 F CA 1.334 59.333 58.000 -0.002 0.000 1.420 468 F CB 0.137 39.135 39.000 -0.004 0.000 1.086 468 F HN 0.384 nan 8.300 nan 0.000 0.531 469 G N 0.578 109.363 108.800 -0.025 0.000 2.352 469 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.204 469 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.204 469 G C 0.054 174.942 174.900 -0.020 0.000 1.004 469 G CA 0.011 45.044 45.100 -0.112 0.000 0.648 469 G HN 0.570 nan 8.290 nan 0.000 0.491 470 K N 0.223 120.686 120.400 0.105 0.000 2.527 470 K HA 0.725 5.045 4.320 -0.000 0.000 0.260 470 K C -0.028 176.745 176.600 0.289 0.000 0.937 470 K CA -0.142 56.253 56.287 0.180 0.000 0.826 470 K CB 1.944 34.520 32.500 0.127 0.000 1.359 470 K HN 0.601 nan 8.250 nan 0.000 0.434 471 S N 1.518 117.369 115.700 0.251 0.000 2.694 471 S HA 0.361 4.831 4.470 -0.000 0.000 0.278 471 S C 1.023 175.748 174.600 0.209 0.000 1.152 471 S CA -0.938 57.405 58.200 0.238 0.000 1.010 471 S CB 0.406 63.828 63.200 0.370 0.000 1.104 471 S HN 0.573 nan 8.310 nan 0.000 0.547 472 I N 0.893 121.558 120.570 0.160 0.000 2.494 472 I HA 0.048 4.218 4.170 -0.000 0.000 0.250 472 I C 1.323 177.549 176.117 0.182 0.000 1.112 472 I CA 0.795 62.167 61.300 0.121 0.000 1.438 472 I CB -1.319 36.709 38.000 0.046 0.000 1.111 472 I HN 0.632 nan 8.210 nan 0.000 0.431 473 N N -0.170 118.713 118.700 0.306 0.000 2.314 473 N HA 0.093 4.833 4.740 -0.000 0.000 0.200 473 N C -0.199 175.579 175.510 0.447 0.000 1.135 473 N CA 0.173 53.449 53.050 0.376 0.000 0.835 473 N CB 0.913 39.657 38.487 0.429 0.000 0.989 473 N HN 0.165 nan 8.380 nan 0.000 0.478 474 F N 0.000 120.067 119.950 0.194 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 474 F CB 0.000 38.774 39.000 -0.377 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574