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 1zmc_1_C 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 0.000 177.305 177.300 0.009 0.000 1.155 4 P CA 0.000 63.105 63.100 0.009 0.000 0.800 4 P CB 0.000 31.705 31.700 0.009 0.000 0.726 5 I N 1.166 121.742 120.570 0.009 0.000 2.532 5 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 5 I C 0.448 176.570 176.117 0.010 0.000 1.014 5 I CA -0.087 61.218 61.300 0.009 0.000 1.340 5 I CB 1.028 39.033 38.000 0.008 0.000 1.422 5 I HN 0.324 nan 8.210 nan 0.000 0.528 6 D N 3.579 123.985 120.400 0.010 0.000 2.252 6 D HA 0.751 5.391 4.640 -0.000 0.000 0.245 6 D C -0.606 175.701 176.300 0.012 0.000 1.009 6 D CA -0.187 53.820 54.000 0.012 0.000 0.870 6 D CB 2.854 43.663 40.800 0.014 0.000 1.251 6 D HN 0.692 nan 8.370 nan 0.000 0.460 7 A N 1.166 123.993 122.820 0.013 0.000 2.601 7 A HA 0.344 4.664 4.320 -0.000 0.000 0.291 7 A C -0.276 177.317 177.584 0.016 0.000 1.075 7 A CA -0.582 51.462 52.037 0.012 0.000 0.671 7 A CB 1.542 20.539 19.000 -0.005 0.000 1.277 7 A HN 0.402 nan 8.150 nan 0.000 0.417 8 D N -0.581 119.835 120.400 0.027 0.000 2.269 8 D HA 0.181 4.821 4.640 -0.000 0.000 0.220 8 D C 0.126 176.350 176.300 -0.126 0.000 0.962 8 D CA 1.549 55.566 54.000 0.029 0.000 0.884 8 D CB 0.490 41.426 40.800 0.226 0.000 1.023 8 D HN 0.235 nan 8.370 nan 0.000 0.484 9 V N 1.044 120.853 119.914 -0.175 0.000 2.531 9 V HA 0.312 4.432 4.120 -0.000 0.000 0.301 9 V C -0.426 175.584 176.094 -0.141 0.000 1.034 9 V CA -0.456 61.693 62.300 -0.253 0.000 0.865 9 V CB 2.128 33.676 31.823 -0.459 0.000 0.995 9 V HN -0.097 nan 8.190 nan 0.000 0.424 10 T N 4.344 118.837 114.554 -0.101 0.000 2.833 10 T HA 0.459 4.809 4.350 -0.000 0.000 0.297 10 T C -0.389 174.283 174.700 -0.047 0.000 1.015 10 T CA -0.314 61.751 62.100 -0.058 0.000 0.963 10 T CB 1.326 70.180 68.868 -0.024 0.000 0.955 10 T HN 0.332 nan 8.240 nan 0.000 0.449 11 V N 5.622 125.506 119.914 -0.049 0.000 2.364 11 V HA 0.407 4.527 4.120 -0.000 0.000 0.272 11 V C 0.253 176.354 176.094 0.012 0.000 1.036 11 V CA -0.747 61.538 62.300 -0.026 0.000 0.880 11 V CB 0.838 32.639 31.823 -0.036 0.000 0.991 11 V HN 0.805 nan 8.190 nan 0.000 0.460 12 I N 5.121 125.702 120.570 0.018 0.000 2.281 12 I HA 0.663 4.833 4.170 -0.000 0.000 0.293 12 I C 0.803 176.936 176.117 0.027 0.000 1.085 12 I CA 0.181 61.495 61.300 0.023 0.000 1.257 12 I CB 0.627 38.636 38.000 0.014 0.000 1.430 12 I HN 0.868 nan 8.210 nan 0.000 0.489 13 G N 3.592 112.416 108.800 0.041 0.000 3.101 13 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.672 13 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.672 13 G C -0.134 174.815 174.900 0.081 0.000 1.331 13 G CA -0.346 44.779 45.100 0.041 0.000 0.925 13 G HN 0.640 nan 8.290 nan 0.000 0.596 14 S N 1.030 116.769 115.700 0.066 0.000 2.537 14 S HA 0.605 5.075 4.470 -0.000 0.000 0.246 14 S C 1.235 175.887 174.600 0.087 0.000 1.036 14 S CA 0.608 58.867 58.200 0.098 0.000 1.041 14 S CB 0.631 63.809 63.200 -0.037 0.000 0.799 14 S HN 1.779 nan 8.310 nan 0.000 0.456 15 G N 2.209 111.065 108.800 0.094 0.000 2.588 15 G HA2 0.434 4.394 3.960 -0.000 0.000 0.278 15 G HA3 0.434 4.394 3.960 -0.000 0.000 0.278 15 G C -1.657 173.378 174.900 0.225 0.000 1.307 15 G CA -1.698 43.461 45.100 0.097 0.000 1.016 15 G HN 0.175 nan 8.290 nan 0.000 0.503 16 P HA -0.136 nan 4.420 nan 0.000 0.216 16 P C 1.893 179.172 177.300 -0.035 0.000 1.154 16 P CA 2.053 65.239 63.100 0.143 0.000 0.865 16 P CB 0.077 31.819 31.700 0.069 0.000 0.789 17 G N -1.028 107.756 108.800 -0.026 0.000 2.395 17 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.214 17 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.214 17 G C 1.773 176.627 174.900 -0.076 0.000 1.177 17 G CA 0.750 45.800 45.100 -0.084 0.000 0.794 17 G HN 0.342 nan 8.290 nan 0.000 0.532 18 G N 0.554 109.358 108.800 0.007 0.000 2.433 18 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 18 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 18 G C 1.731 176.702 174.900 0.119 0.000 1.186 18 G CA 1.355 46.484 45.100 0.047 0.000 0.779 18 G HN 0.595 nan 8.290 nan 0.000 0.543 19 Y N 0.736 121.102 120.300 0.109 0.000 2.352 19 Y HA 0.097 4.647 4.550 -0.000 0.000 0.292 19 Y C 2.300 178.319 175.900 0.199 0.000 1.136 19 Y CA 1.083 59.336 58.100 0.255 0.000 1.227 19 Y CB -0.407 38.087 38.460 0.056 0.000 0.991 19 Y HN 0.020 nan 8.280 nan 0.000 0.545 20 V N 0.919 120.468 119.914 -0.608 0.000 2.591 20 V HA -0.120 4.000 4.120 -0.000 0.000 0.249 20 V C 2.758 178.722 176.094 -0.217 0.000 1.053 20 V CA 1.327 63.302 62.300 -0.541 0.000 1.068 20 V CB -1.067 30.439 31.823 -0.528 0.000 0.689 20 V HN 0.618 nan 8.190 nan 0.000 0.462 21 A N 0.328 123.051 122.820 -0.162 0.000 1.855 21 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 21 A C 2.455 179.979 177.584 -0.100 0.000 1.191 21 A CA 2.024 53.983 52.037 -0.129 0.000 0.613 21 A CB -0.914 18.009 19.000 -0.129 0.000 0.829 21 A HN 0.524 nan 8.150 nan 0.000 0.442 22 A N 0.177 122.955 122.820 -0.071 0.000 1.859 22 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 22 A C 2.151 179.669 177.584 -0.109 0.000 1.198 22 A CA 1.787 53.748 52.037 -0.125 0.000 0.629 22 A CB -0.853 18.019 19.000 -0.213 0.000 0.830 22 A HN 0.510 nan 8.150 nan 0.000 0.446 23 I N -0.530 120.028 120.570 -0.020 0.000 2.118 23 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 23 I C 2.563 178.676 176.117 -0.006 0.000 1.070 23 I CA 2.121 63.434 61.300 0.022 0.000 1.327 23 I CB -0.283 37.786 38.000 0.115 0.000 1.034 23 I HN 0.340 nan 8.210 nan 0.000 0.405 24 K N 1.617 122.001 120.400 -0.026 0.000 2.209 24 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 24 K C 1.850 178.462 176.600 0.020 0.000 1.048 24 K CA 1.607 57.883 56.287 -0.017 0.000 0.940 24 K CB -0.311 32.162 32.500 -0.045 0.000 0.729 24 K HN 0.332 nan 8.250 nan 0.000 0.451 25 A N 0.474 123.303 122.820 0.015 0.000 1.872 25 A HA 0.077 4.397 4.320 -0.000 0.000 0.214 25 A C 2.395 180.091 177.584 0.188 0.000 1.187 25 A CA 1.662 53.766 52.037 0.111 0.000 0.614 25 A CB -1.038 17.938 19.000 -0.039 0.000 0.826 25 A HN 0.398 nan 8.150 nan 0.000 0.442 26 A N -0.551 122.305 122.820 0.061 0.000 1.933 26 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 26 A C 2.043 179.638 177.584 0.019 0.000 1.175 26 A CA 1.537 53.598 52.037 0.040 0.000 0.628 26 A CB -0.551 18.435 19.000 -0.023 0.000 0.814 26 A HN 0.655 nan 8.150 nan 0.000 0.444 27 Q N -0.656 119.152 119.800 0.013 0.000 2.369 27 Q HA 0.075 4.415 4.340 -0.000 0.000 0.206 27 Q C 1.530 177.516 176.000 -0.023 0.000 0.963 27 Q CA 0.674 56.474 55.803 -0.005 0.000 0.894 27 Q CB -0.156 28.581 28.738 -0.001 0.000 0.965 27 Q HN 0.655 nan 8.270 nan 0.000 0.475 28 L N -1.202 120.013 121.223 -0.015 0.000 2.529 28 L HA 0.176 4.516 4.340 -0.000 0.000 0.223 28 L C 0.760 177.483 176.870 -0.245 0.000 1.113 28 L CA 0.373 55.163 54.840 -0.083 0.000 0.861 28 L CB 0.418 42.476 42.059 -0.002 0.000 1.012 28 L HN 0.320 nan 8.230 nan 0.000 0.461 29 G N 0.151 108.817 108.800 -0.222 0.000 2.618 29 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.180 29 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.180 29 G C -0.656 173.994 174.900 -0.417 0.000 1.092 29 G CA -0.788 44.136 45.100 -0.292 0.000 0.856 29 G HN 0.016 nan 8.290 nan 0.000 0.496 30 F N -0.341 119.583 119.950 -0.044 0.000 2.565 30 F HA 0.615 5.142 4.527 -0.000 0.000 0.313 30 F C 0.372 176.142 175.800 -0.051 0.000 1.091 30 F CA -1.440 56.532 58.000 -0.046 0.000 0.915 30 F CB 2.208 41.173 39.000 -0.058 0.000 1.208 30 F HN 0.071 nan 8.300 nan 0.000 0.453 31 K N 1.910 122.419 120.400 0.183 0.000 2.310 31 K HA 0.406 4.726 4.320 -0.000 0.000 0.290 31 K C -0.929 175.695 176.600 0.041 0.000 1.077 31 K CA 0.119 56.450 56.287 0.072 0.000 0.922 31 K CB 0.223 32.754 32.500 0.052 0.000 1.057 31 K HN 0.679 nan 8.250 nan 0.000 0.479 32 T N 3.383 117.933 114.554 -0.007 0.000 2.779 32 T HA 0.342 4.692 4.350 -0.000 0.000 0.280 32 T C -0.880 173.754 174.700 -0.108 0.000 0.987 32 T CA -0.706 61.352 62.100 -0.071 0.000 0.966 32 T CB 1.446 70.252 68.868 -0.102 0.000 0.933 32 T HN 0.239 nan 8.240 nan 0.000 0.442 33 V N 2.453 122.310 119.914 -0.095 0.000 2.495 33 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 33 V C -0.231 175.819 176.094 -0.073 0.000 1.031 33 V CA -0.829 61.428 62.300 -0.071 0.000 0.871 33 V CB 1.694 33.501 31.823 -0.025 0.000 0.988 33 V HN 1.082 nan 8.190 nan 0.000 0.432 34 C N 7.082 126.352 119.300 -0.051 0.000 2.369 34 C HA 0.697 5.157 4.460 -0.000 0.000 0.322 34 C C -0.319 174.764 174.990 0.154 0.000 1.258 34 C CA -0.555 58.475 59.018 0.021 0.000 1.487 34 C CB -0.265 27.459 27.740 -0.026 0.000 2.165 34 C HN 0.812 nan 8.230 nan 0.000 0.483 35 I N 4.787 125.431 120.570 0.123 0.000 2.336 35 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 35 I C -0.391 175.802 176.117 0.127 0.000 0.991 35 I CA 0.090 61.473 61.300 0.137 0.000 1.227 35 I CB 1.479 39.524 38.000 0.075 0.000 1.366 35 I HN 0.581 nan 8.210 nan 0.000 0.466 36 E N 5.624 125.930 120.200 0.176 0.000 2.241 36 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 36 E C 0.118 176.778 176.600 0.101 0.000 0.882 36 E CA -0.785 55.685 56.400 0.116 0.000 0.769 36 E CB 1.419 31.189 29.700 0.116 0.000 1.185 36 E HN 0.573 nan 8.360 nan 0.000 0.415 37 K N 2.562 122.977 120.400 0.025 0.000 2.366 37 K HA 0.136 4.456 4.320 -0.000 0.000 0.198 37 K C 0.207 176.843 176.600 0.059 0.000 1.044 37 K CA 0.269 56.584 56.287 0.047 0.000 0.973 37 K CB 0.093 32.579 32.500 -0.022 0.000 0.767 37 K HN 0.188 nan 8.250 nan 0.000 0.475 38 N N 2.174 120.891 118.700 0.028 0.000 2.447 38 N HA -0.012 4.728 4.740 -0.000 0.000 0.271 38 N C 0.322 175.853 175.510 0.036 0.000 1.226 38 N CA -0.340 52.721 53.050 0.018 0.000 0.980 38 N CB 0.933 39.408 38.487 -0.020 0.000 1.206 38 N HN 0.306 nan 8.380 nan 0.000 0.558 39 E N -1.530 118.683 120.200 0.022 0.000 2.494 39 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 39 E C -0.297 176.317 176.600 0.022 0.000 1.074 39 E CA 0.091 56.509 56.400 0.029 0.000 0.867 39 E CB -0.231 29.479 29.700 0.017 0.000 0.924 39 E HN 0.604 nan 8.360 nan 0.000 0.502 40 T N -1.818 112.734 114.554 -0.002 0.000 2.816 40 T HA 0.571 4.921 4.350 -0.000 0.000 0.299 40 T C -0.341 174.300 174.700 -0.097 0.000 1.230 40 T CA -0.991 61.083 62.100 -0.044 0.000 1.007 40 T CB 1.496 70.324 68.868 -0.067 0.000 1.289 40 T HN 0.041 nan 8.240 nan 0.000 0.508 41 L N 0.392 121.500 121.223 -0.192 0.000 2.358 41 L HA 0.707 5.047 4.340 -0.000 0.000 0.268 41 L C 1.486 178.178 176.870 -0.297 0.000 1.032 41 L CA -0.184 54.475 54.840 -0.302 0.000 0.805 41 L CB 1.234 42.976 42.059 -0.529 0.000 1.253 41 L HN 1.232 nan 8.230 nan 0.000 0.452 42 G N -0.106 108.511 108.800 -0.305 0.000 2.192 42 G HA2 0.020 3.980 3.960 -0.000 0.000 0.193 42 G HA3 0.020 3.980 3.960 -0.000 0.000 0.193 42 G C 0.586 175.417 174.900 -0.115 0.000 0.999 42 G CA -0.027 44.912 45.100 -0.269 0.000 0.659 42 G HN 1.355 nan 8.290 nan 0.000 0.503 43 G N -0.657 108.092 108.800 -0.086 0.000 2.591 43 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.278 43 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.278 43 G C 1.097 175.962 174.900 -0.057 0.000 1.293 43 G CA 1.161 46.228 45.100 -0.055 0.000 0.930 43 G HN 1.258 nan 8.290 nan 0.000 0.562 44 T N -0.546 113.980 114.554 -0.047 0.000 2.684 44 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 44 T C 2.470 177.150 174.700 -0.034 0.000 1.036 44 T CA 2.504 64.578 62.100 -0.043 0.000 1.148 44 T CB -0.668 68.178 68.868 -0.035 0.000 0.863 44 T HN 0.944 nan 8.240 nan 0.000 0.436 45 c N 0.756 119.342 118.600 -0.024 0.000 2.413 45 c HA 0.009 4.579 4.570 -0.000 0.000 0.276 45 c C 2.582 176.649 174.090 -0.040 0.000 1.236 45 c CA 0.581 56.897 56.329 -0.022 0.000 1.735 45 c CB -1.405 41.105 42.510 0.000 0.000 2.031 45 c HN 0.567 nan 8.230 nan 0.000 0.474 46 L N 0.703 121.894 121.223 -0.054 0.000 2.072 46 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 46 L C 2.342 179.168 176.870 -0.072 0.000 1.079 46 L CA 1.655 56.448 54.840 -0.077 0.000 0.752 46 L CB -0.553 41.433 42.059 -0.122 0.000 0.906 46 L HN 0.520 nan 8.230 nan 0.000 0.436 47 N N -0.531 118.128 118.700 -0.068 0.000 2.278 47 N HA -0.059 4.681 4.740 -0.000 0.000 0.181 47 N C 1.092 176.578 175.510 -0.041 0.000 1.023 47 N CA 1.729 54.745 53.050 -0.057 0.000 0.862 47 N CB 0.351 38.801 38.487 -0.061 0.000 1.003 47 N HN 0.330 nan 8.380 nan 0.000 0.431 48 V N -3.186 116.706 119.914 -0.036 0.000 3.078 48 V HA 0.660 4.780 4.120 -0.000 0.000 0.344 48 V C 0.621 176.707 176.094 -0.013 0.000 1.409 48 V CA -0.147 62.141 62.300 -0.021 0.000 1.146 48 V CB 0.505 32.316 31.823 -0.020 0.000 1.126 48 V HN 0.167 nan 8.190 nan 0.000 0.513 49 G N -0.160 108.627 108.800 -0.022 0.000 3.259 49 G HA2 0.167 4.127 3.960 -0.000 0.000 0.193 49 G HA3 0.167 4.127 3.960 -0.000 0.000 0.193 49 G C 0.997 175.877 174.900 -0.033 0.000 1.457 49 G CA 0.710 45.800 45.100 -0.016 0.000 0.771 49 G HN 0.264 nan 8.290 nan 0.000 0.765 50 c N 1.226 119.799 118.600 -0.044 0.000 2.367 50 c HA -0.077 4.493 4.570 -0.000 0.000 0.276 50 c C 2.794 176.810 174.090 -0.125 0.000 1.195 50 c CA 0.667 56.941 56.329 -0.091 0.000 1.756 50 c CB -1.303 41.157 42.510 -0.083 0.000 2.046 50 c HN 0.412 nan 8.230 nan 0.000 0.453 51 I N 2.527 123.041 120.570 -0.094 0.000 2.090 51 I HA -0.106 4.064 4.170 -0.000 0.000 0.236 51 I C 0.217 176.283 176.117 -0.085 0.000 1.064 51 I CA 1.625 62.869 61.300 -0.094 0.000 1.324 51 I CB -2.956 34.999 38.000 -0.075 0.000 1.044 51 I HN 0.243 nan 8.210 nan 0.000 0.399 52 P HA -0.124 nan 4.420 nan 0.000 0.218 52 P C 1.874 179.138 177.300 -0.059 0.000 1.148 52 P CA 2.109 65.178 63.100 -0.052 0.000 0.822 52 P CB -0.076 31.605 31.700 -0.032 0.000 0.784 53 S N 0.028 115.692 115.700 -0.060 0.000 2.368 53 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 53 S C 2.048 176.593 174.600 -0.093 0.000 1.029 53 S CA 1.015 59.181 58.200 -0.057 0.000 0.988 53 S CB -0.845 62.340 63.200 -0.025 0.000 0.838 53 S HN -0.031 nan 8.310 nan 0.000 0.462 54 K N 1.936 122.245 120.400 -0.150 0.000 2.211 54 K HA 0.299 4.619 4.320 -0.000 0.000 0.203 54 K C 2.273 178.805 176.600 -0.113 0.000 1.050 54 K CA 1.063 57.237 56.287 -0.188 0.000 0.945 54 K CB -0.831 31.470 32.500 -0.331 0.000 0.732 54 K HN 0.517 nan 8.250 nan 0.000 0.451 55 A N 0.610 123.373 122.820 -0.095 0.000 1.855 55 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 55 A C 2.069 179.608 177.584 -0.076 0.000 1.191 55 A CA 1.264 53.261 52.037 -0.067 0.000 0.613 55 A CB -0.674 18.292 19.000 -0.057 0.000 0.829 55 A HN 0.189 nan 8.150 nan 0.000 0.442 56 L N -0.747 120.416 121.223 -0.100 0.000 2.046 56 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 56 L C 2.624 179.411 176.870 -0.139 0.000 1.077 56 L CA 1.117 55.866 54.840 -0.152 0.000 0.747 56 L CB -0.650 41.285 42.059 -0.208 0.000 0.896 56 L HN 0.370 nan 8.230 nan 0.000 0.432 57 L N -0.237 120.931 121.223 -0.093 0.000 2.012 57 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 57 L C 2.501 179.346 176.870 -0.041 0.000 1.073 57 L CA 1.630 56.446 54.840 -0.041 0.000 0.748 57 L CB -0.655 41.412 42.059 0.013 0.000 0.891 57 L HN 0.413 nan 8.230 nan 0.000 0.431 58 N N -0.206 118.452 118.700 -0.069 0.000 2.142 58 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 58 N C 1.553 176.975 175.510 -0.147 0.000 1.023 58 N CA 1.224 54.194 53.050 -0.133 0.000 0.852 58 N CB 0.068 38.507 38.487 -0.080 0.000 0.998 58 N HN 0.361 nan 8.380 nan 0.000 0.424 59 N N 0.553 119.225 118.700 -0.046 0.000 2.188 59 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 59 N C 1.875 177.395 175.510 0.017 0.000 1.018 59 N CA 1.264 54.328 53.050 0.022 0.000 0.858 59 N CB -0.404 38.077 38.487 -0.010 0.000 0.989 59 N HN 0.357 nan 8.380 nan 0.000 0.426 60 S N -0.082 115.592 115.700 -0.042 0.000 2.428 60 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 60 S C 1.793 176.425 174.600 0.053 0.000 1.014 60 S CA 0.549 58.740 58.200 -0.013 0.000 0.957 60 S CB -0.522 62.608 63.200 -0.116 0.000 0.784 60 S HN 0.455 nan 8.310 nan 0.000 0.499 61 H N 0.095 119.108 119.070 -0.095 0.000 2.363 61 H HA -0.068 4.488 4.556 -0.000 0.000 0.301 61 H C 1.517 176.780 175.328 -0.108 0.000 1.074 61 H CA 1.554 57.514 56.048 -0.146 0.000 1.354 61 H CB -0.283 29.288 29.762 -0.318 0.000 1.397 61 H HN 0.450 nan 8.280 nan 0.000 0.516 62 Y N -0.016 120.143 120.300 -0.235 0.000 2.293 62 Y HA -0.192 4.358 4.550 -0.000 0.000 0.291 62 Y C 2.610 178.329 175.900 -0.302 0.000 1.137 62 Y CA 0.960 58.865 58.100 -0.325 0.000 1.202 62 Y CB -1.215 37.170 38.460 -0.126 0.000 0.990 62 Y HN 0.310 nan 8.280 nan 0.000 0.537 63 Y N -0.009 120.248 120.300 -0.072 0.000 2.181 63 Y HA -0.285 4.265 4.550 -0.000 0.000 0.288 63 Y C 2.786 178.648 175.900 -0.064 0.000 1.146 63 Y CA 2.162 60.211 58.100 -0.085 0.000 1.164 63 Y CB -0.880 37.530 38.460 -0.084 0.000 0.982 63 Y HN 0.345 nan 8.280 nan 0.000 0.515 64 H N -0.997 117.884 119.070 -0.314 0.000 2.389 64 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 64 H C 1.697 176.804 175.328 -0.368 0.000 1.081 64 H CA 1.221 57.065 56.048 -0.339 0.000 1.345 64 H CB 0.219 29.869 29.762 -0.187 0.000 1.393 64 H HN 0.285 nan 8.280 nan 0.000 0.520 65 M N 0.275 119.526 119.600 -0.581 0.000 2.254 65 M HA -0.004 4.476 4.480 -0.000 0.000 0.265 65 M C 2.563 178.421 176.300 -0.736 0.000 1.066 65 M CA 1.008 55.913 55.300 -0.659 0.000 1.123 65 M CB -0.904 31.312 32.600 -0.639 0.000 1.388 65 M HN 0.389 nan 8.290 nan 0.000 0.425 66 A N -1.091 121.246 122.820 -0.805 0.000 1.903 66 A HA -0.130 4.190 4.320 -0.000 0.000 0.213 66 A C 2.175 179.575 177.584 -0.306 0.000 1.185 66 A CA 1.135 52.788 52.037 -0.642 0.000 0.628 66 A CB -0.841 17.860 19.000 -0.498 0.000 0.830 66 A HN 0.534 nan 8.150 nan 0.000 0.446 67 H N 0.011 118.790 119.070 -0.485 0.000 2.448 67 H HA 0.078 4.634 4.556 -0.000 0.000 0.292 67 H C 1.411 176.599 175.328 -0.233 0.000 1.035 67 H CA 1.192 56.982 56.048 -0.431 0.000 1.349 67 H CB -0.160 29.059 29.762 -0.905 0.000 1.425 67 H HN 0.413 nan 8.280 nan 0.000 0.539 68 G N -0.760 107.975 108.800 -0.109 0.000 2.624 68 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.217 68 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.217 68 G C 0.917 175.761 174.900 -0.094 0.000 1.506 68 G CA 0.400 45.476 45.100 -0.039 0.000 1.072 68 G HN 0.333 nan 8.290 nan 0.000 0.568 69 T N -1.740 112.783 114.554 -0.052 0.000 3.060 69 T HA 0.021 4.371 4.350 -0.000 0.000 0.249 69 T C 1.671 176.367 174.700 -0.007 0.000 1.079 69 T CA 1.214 63.297 62.100 -0.028 0.000 1.013 69 T CB -0.323 68.541 68.868 -0.005 0.000 0.975 69 T HN 0.464 nan 8.240 nan 0.000 0.518 70 D N 0.367 120.745 120.400 -0.036 0.000 2.087 70 D HA -0.129 4.511 4.640 -0.000 0.000 0.192 70 D C 1.591 177.997 176.300 0.176 0.000 0.993 70 D CA 1.403 55.423 54.000 0.033 0.000 0.828 70 D CB -0.282 40.500 40.800 -0.030 0.000 0.968 70 D HN 0.330 nan 8.370 nan 0.000 0.448 71 F N 0.761 120.655 119.950 -0.094 0.000 2.202 71 F HA 0.017 4.544 4.527 -0.000 0.000 0.301 71 F C 2.434 178.200 175.800 -0.057 0.000 1.082 71 F CA 0.869 58.825 58.000 -0.074 0.000 1.313 71 F CB -1.102 37.849 39.000 -0.082 0.000 1.024 71 F HN 0.058 nan 8.300 nan 0.000 0.495 72 A N -0.142 122.751 122.820 0.122 0.000 1.877 72 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 72 A C 2.358 179.951 177.584 0.016 0.000 1.186 72 A CA 2.082 54.144 52.037 0.042 0.000 0.620 72 A CB -1.259 17.752 19.000 0.019 0.000 0.822 72 A HN 0.393 nan 8.150 nan 0.000 0.443 73 S N -0.442 115.272 115.700 0.024 0.000 2.493 73 S HA -0.122 4.348 4.470 -0.000 0.000 0.243 73 S C 1.516 176.111 174.600 -0.009 0.000 0.991 73 S CA 1.246 59.452 58.200 0.010 0.000 0.957 73 S CB -0.361 62.852 63.200 0.021 0.000 0.756 73 S HN 0.612 nan 8.310 nan 0.000 0.521 74 R N 0.193 120.673 120.500 -0.033 0.000 2.393 74 R HA 0.341 4.681 4.340 -0.000 0.000 0.244 74 R C 1.499 177.740 176.300 -0.099 0.000 0.920 74 R CA 0.364 56.416 56.100 -0.081 0.000 1.076 74 R CB 0.150 30.355 30.300 -0.158 0.000 1.119 74 R HN 0.527 nan 8.270 nan 0.000 0.524 75 G N 1.376 110.135 108.800 -0.069 0.000 2.176 75 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 75 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 75 G C 0.191 175.041 174.900 -0.082 0.000 0.979 75 G CA -0.240 44.821 45.100 -0.064 0.000 0.641 75 G HN 0.260 nan 8.290 nan 0.000 0.530 76 I N 1.932 122.429 120.570 -0.122 0.000 2.291 76 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 76 I C 0.173 176.273 176.117 -0.027 0.000 1.064 76 I CA -0.133 61.089 61.300 -0.131 0.000 1.269 76 I CB 0.686 38.485 38.000 -0.336 0.000 1.418 76 I HN 0.118 nan 8.210 nan 0.000 0.485 77 E N 6.950 127.143 120.200 -0.012 0.000 2.151 77 E HA 0.521 4.871 4.350 -0.000 0.000 0.275 77 E C -0.896 175.717 176.600 0.022 0.000 0.936 77 E CA -0.800 55.605 56.400 0.009 0.000 0.777 77 E CB 2.216 31.914 29.700 -0.003 0.000 1.108 77 E HN 0.416 nan 8.360 nan 0.000 0.401 78 M N 1.523 121.141 119.600 0.030 0.000 2.456 78 M HA 0.124 4.604 4.480 -0.000 0.000 0.324 78 M C 0.986 177.292 176.300 0.010 0.000 1.124 78 M CA -0.151 55.166 55.300 0.028 0.000 0.959 78 M CB 1.924 34.548 32.600 0.041 0.000 1.692 78 M HN 0.565 nan 8.290 nan 0.000 0.444 79 S N 1.076 116.783 115.700 0.012 0.000 2.325 79 S HA 0.073 4.543 4.470 -0.000 0.000 0.213 79 S C 0.500 175.102 174.600 0.003 0.000 1.031 79 S CA 0.479 58.683 58.200 0.006 0.000 0.984 79 S CB -0.140 63.067 63.200 0.011 0.000 0.939 79 S HN 0.764 nan 8.310 nan 0.000 0.438 80 E N -0.192 120.017 120.200 0.015 0.000 2.340 80 E HA 0.554 4.904 4.350 -0.000 0.000 0.273 80 E C -2.129 174.500 176.600 0.048 0.000 0.891 80 E CA -0.843 55.572 56.400 0.024 0.000 0.757 80 E CB 2.486 32.206 29.700 0.034 0.000 1.231 80 E HN 0.189 nan 8.360 nan 0.000 0.439 81 V N 4.509 124.470 119.914 0.079 0.000 2.357 81 V HA 0.446 4.566 4.120 -0.000 0.000 0.281 81 V C -0.132 176.120 176.094 0.264 0.000 1.015 81 V CA -0.637 61.748 62.300 0.142 0.000 0.827 81 V CB 1.265 33.146 31.823 0.097 0.000 1.018 81 V HN 0.595 nan 8.190 nan 0.000 0.432 82 R N 2.661 123.283 120.500 0.203 0.000 2.598 82 R HA 0.657 4.997 4.340 -0.000 0.000 0.279 82 R C -0.973 175.420 176.300 0.155 0.000 0.984 82 R CA -0.994 55.217 56.100 0.185 0.000 0.999 82 R CB 2.316 32.674 30.300 0.096 0.000 1.114 82 R HN 0.518 nan 8.270 nan 0.000 0.493 83 L N 1.960 123.199 121.223 0.027 0.000 2.307 83 L HA 0.312 4.652 4.340 -0.000 0.000 0.282 83 L C -0.568 176.234 176.870 -0.114 0.000 1.051 83 L CA -0.096 54.626 54.840 -0.196 0.000 0.804 83 L CB 1.020 42.770 42.059 -0.516 0.000 1.197 83 L HN 0.439 nan 8.230 nan 0.000 0.431 84 N N 4.896 123.533 118.700 -0.105 0.000 2.898 84 N HA 0.100 4.840 4.740 -0.000 0.000 0.245 84 N C 0.722 176.187 175.510 -0.074 0.000 1.185 84 N CA -0.385 52.629 53.050 -0.061 0.000 0.879 84 N CB 0.351 38.820 38.487 -0.029 0.000 1.157 84 N HN 0.768 nan 8.380 nan 0.000 0.503 85 L N 1.562 122.740 121.223 -0.075 0.000 2.043 85 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 85 L C 0.674 177.530 176.870 -0.023 0.000 1.075 85 L CA 1.977 56.787 54.840 -0.050 0.000 0.752 85 L CB -0.302 41.763 42.059 0.010 0.000 0.891 85 L HN 0.461 nan 8.230 nan 0.000 0.432 86 D N -0.247 120.144 120.400 -0.015 0.000 2.149 86 D HA -0.232 4.408 4.640 -0.000 0.000 0.198 86 D C 2.116 178.408 176.300 -0.014 0.000 0.990 86 D CA 1.311 55.307 54.000 -0.007 0.000 0.839 86 D CB 0.137 40.934 40.800 -0.007 0.000 0.948 86 D HN 0.292 nan 8.370 nan 0.000 0.460 87 K N 0.334 120.722 120.400 -0.021 0.000 2.062 87 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 87 K C 2.112 178.697 176.600 -0.025 0.000 1.051 87 K CA 0.518 56.794 56.287 -0.019 0.000 0.941 87 K CB -0.149 32.341 32.500 -0.016 0.000 0.719 87 K HN -0.009 nan 8.250 nan 0.000 0.440 88 M N -0.305 119.269 119.600 -0.043 0.000 2.117 88 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 88 M C 1.579 177.850 176.300 -0.049 0.000 1.065 88 M CA 1.398 56.665 55.300 -0.056 0.000 1.114 88 M CB 0.044 32.579 32.600 -0.107 0.000 1.361 88 M HN 0.194 nan 8.290 nan 0.000 0.408 89 M N -0.319 119.259 119.600 -0.037 0.000 2.175 89 M HA -0.184 4.296 4.480 -0.000 0.000 0.264 89 M C 1.964 178.254 176.300 -0.016 0.000 1.063 89 M CA 1.621 56.909 55.300 -0.020 0.000 1.119 89 M CB -1.381 31.223 32.600 0.006 0.000 1.377 89 M HN 0.438 nan 8.290 nan 0.000 0.415 90 E N 0.081 120.272 120.200 -0.015 0.000 2.051 90 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 90 E C 2.091 178.682 176.600 -0.015 0.000 0.991 90 E CA 1.190 57.582 56.400 -0.013 0.000 0.799 90 E CB -0.064 29.629 29.700 -0.011 0.000 0.748 90 E HN 0.346 nan 8.360 nan 0.000 0.449 91 Q N 1.417 121.208 119.800 -0.015 0.000 2.112 91 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 91 Q C 2.071 178.060 176.000 -0.018 0.000 0.987 91 Q CA 1.993 57.789 55.803 -0.012 0.000 0.858 91 Q CB -0.271 28.464 28.738 -0.005 0.000 0.905 91 Q HN 0.257 nan 8.270 nan 0.000 0.420 92 K N -0.390 119.994 120.400 -0.025 0.000 1.985 92 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 92 K C 2.213 178.796 176.600 -0.029 0.000 1.047 92 K CA 1.696 57.965 56.287 -0.031 0.000 0.932 92 K CB -0.124 32.354 32.500 -0.036 0.000 0.716 92 K HN 0.091 nan 8.250 nan 0.000 0.439 93 S N 0.425 116.111 115.700 -0.023 0.000 2.374 93 S HA -0.150 4.320 4.470 -0.000 0.000 0.227 93 S C 1.930 176.515 174.600 -0.027 0.000 1.037 93 S CA 1.987 60.173 58.200 -0.023 0.000 1.024 93 S CB -0.533 62.657 63.200 -0.017 0.000 0.861 93 S HN 0.486 nan 8.310 nan 0.000 0.456 94 T N 2.265 116.805 114.554 -0.023 0.000 2.684 94 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 94 T C 2.129 176.811 174.700 -0.030 0.000 1.036 94 T CA 1.363 63.449 62.100 -0.024 0.000 1.148 94 T CB -0.579 68.278 68.868 -0.018 0.000 0.863 94 T HN 0.490 nan 8.240 nan 0.000 0.436 95 A N 0.878 123.680 122.820 -0.030 0.000 1.883 95 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 95 A C 2.605 180.161 177.584 -0.047 0.000 1.186 95 A CA 1.575 53.591 52.037 -0.035 0.000 0.624 95 A CB -1.066 17.914 19.000 -0.034 0.000 0.822 95 A HN 0.358 nan 8.150 nan 0.000 0.444 96 V N 0.371 120.256 119.914 -0.049 0.000 2.261 96 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 96 V C 2.563 178.618 176.094 -0.066 0.000 1.047 96 V CA 2.551 64.815 62.300 -0.059 0.000 1.015 96 V CB -0.738 31.053 31.823 -0.053 0.000 0.642 96 V HN 0.703 nan 8.190 nan 0.000 0.446 97 K N 1.164 121.532 120.400 -0.053 0.000 2.001 97 K HA -0.214 4.106 4.320 -0.000 0.000 0.214 97 K C 2.089 178.653 176.600 -0.061 0.000 1.050 97 K CA 2.150 58.405 56.287 -0.053 0.000 0.934 97 K CB -0.912 31.565 32.500 -0.039 0.000 0.718 97 K HN 0.361 nan 8.250 nan 0.000 0.443 98 A N 0.859 123.646 122.820 -0.054 0.000 1.873 98 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 98 A C 2.320 179.861 177.584 -0.072 0.000 1.193 98 A CA 2.064 54.068 52.037 -0.056 0.000 0.629 98 A CB -0.963 18.010 19.000 -0.045 0.000 0.826 98 A HN 0.379 nan 8.150 nan 0.000 0.447 99 L N -0.066 121.109 121.223 -0.080 0.000 2.131 99 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 99 L C 2.949 179.724 176.870 -0.159 0.000 1.092 99 L CA 1.774 56.551 54.840 -0.106 0.000 0.759 99 L CB -1.012 40.987 42.059 -0.099 0.000 0.903 99 L HN 0.717 nan 8.230 nan 0.000 0.435 100 T N -3.484 110.980 114.554 -0.150 0.000 2.857 100 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 100 T C 1.920 176.513 174.700 -0.178 0.000 1.048 100 T CA 0.965 62.952 62.100 -0.189 0.000 1.139 100 T CB -0.725 68.058 68.868 -0.142 0.000 0.874 100 T HN 0.369 nan 8.240 nan 0.000 0.455 101 G N 1.054 109.785 108.800 -0.116 0.000 2.422 101 G HA2 0.157 4.117 3.960 -0.000 0.000 0.218 101 G HA3 0.157 4.117 3.960 -0.000 0.000 0.218 101 G C 1.679 176.537 174.900 -0.071 0.000 1.140 101 G CA 0.512 45.565 45.100 -0.079 0.000 0.775 101 G HN 0.638 nan 8.290 nan 0.000 0.545 102 G N 1.135 109.880 108.800 -0.091 0.000 2.422 102 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 102 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 102 G C 1.704 176.548 174.900 -0.092 0.000 1.146 102 G CA 0.726 45.791 45.100 -0.058 0.000 0.769 102 G HN 0.450 nan 8.290 nan 0.000 0.547 103 I N 1.120 121.531 120.570 -0.265 0.000 2.439 103 I HA -0.084 4.086 4.170 -0.000 0.000 0.251 103 I C 3.247 179.111 176.117 -0.423 0.000 1.139 103 I CA 0.695 61.710 61.300 -0.474 0.000 1.438 103 I CB -0.218 37.280 38.000 -0.838 0.000 1.085 103 I HN 0.242 nan 8.210 nan 0.000 0.427 104 A N 0.586 123.248 122.820 -0.262 0.000 1.883 104 A HA -0.317 4.003 4.320 -0.000 0.000 0.217 104 A C 2.213 179.825 177.584 0.046 0.000 1.186 104 A CA 2.243 54.217 52.037 -0.106 0.000 0.624 104 A CB -0.992 17.989 19.000 -0.032 0.000 0.822 104 A HN 0.504 nan 8.150 nan 0.000 0.444 105 H N -0.278 118.776 119.070 -0.026 0.000 2.357 105 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 105 H C 1.735 177.103 175.328 0.067 0.000 1.082 105 H CA 1.795 57.856 56.048 0.023 0.000 1.342 105 H CB -0.252 29.512 29.762 0.003 0.000 1.389 105 H HN 0.354 nan 8.280 nan 0.000 0.511 106 L N -0.905 120.347 121.223 0.048 0.000 2.083 106 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 106 L C 1.971 178.957 176.870 0.194 0.000 1.083 106 L CA 0.646 55.532 54.840 0.077 0.000 0.752 106 L CB -0.408 41.744 42.059 0.156 0.000 0.899 106 L HN 0.271 nan 8.230 nan 0.000 0.433 107 F N 0.645 120.578 119.950 -0.028 0.000 2.146 107 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 107 F C 2.603 178.382 175.800 -0.036 0.000 1.096 107 F CA 1.262 59.254 58.000 -0.013 0.000 1.275 107 F CB -0.630 38.364 39.000 -0.010 0.000 1.008 107 F HN 0.033 nan 8.300 nan 0.000 0.480 108 K N 0.359 120.832 120.400 0.122 0.000 2.026 108 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 108 K C 2.194 178.757 176.600 -0.061 0.000 1.048 108 K CA 1.646 57.942 56.287 0.015 0.000 0.929 108 K CB -0.375 32.115 32.500 -0.017 0.000 0.713 108 K HN 0.289 nan 8.250 nan 0.000 0.439 109 Q N 0.467 120.164 119.800 -0.171 0.000 2.077 109 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 109 Q C 0.975 176.941 176.000 -0.057 0.000 0.989 109 Q CA 1.825 57.532 55.803 -0.160 0.000 0.853 109 Q CB -0.046 28.551 28.738 -0.236 0.000 0.907 109 Q HN 0.409 nan 8.270 nan 0.000 0.418 110 N N 0.451 119.139 118.700 -0.021 0.000 2.370 110 N HA 0.019 4.759 4.740 -0.000 0.000 0.198 110 N C -0.598 174.896 175.510 -0.026 0.000 1.156 110 N CA 0.266 53.309 53.050 -0.012 0.000 0.839 110 N CB 0.398 38.890 38.487 0.009 0.000 0.989 110 N HN 0.228 nan 8.380 nan 0.000 0.468 111 K N 0.154 120.540 120.400 -0.024 0.000 3.096 111 K HA -0.130 4.190 4.320 -0.000 0.000 0.266 111 K C -0.713 175.854 176.600 -0.055 0.000 1.043 111 K CA 0.150 56.422 56.287 -0.026 0.000 0.758 111 K CB -1.610 30.879 32.500 -0.019 0.000 1.260 111 K HN -0.013 nan 8.250 nan 0.000 0.481 112 V N 1.299 121.150 119.914 -0.105 0.000 2.546 112 V HA 0.154 4.274 4.120 -0.000 0.000 0.284 112 V C 0.759 176.768 176.094 -0.141 0.000 1.050 112 V CA -0.685 61.475 62.300 -0.233 0.000 0.981 112 V CB 1.757 33.202 31.823 -0.630 0.000 0.990 112 V HN 0.070 nan 8.190 nan 0.000 0.474 113 V N 4.708 124.560 119.914 -0.103 0.000 2.432 113 V HA 0.196 4.316 4.120 -0.000 0.000 0.271 113 V C -0.039 176.092 176.094 0.061 0.000 1.046 113 V CA -0.480 61.817 62.300 -0.005 0.000 0.945 113 V CB 0.764 32.584 31.823 -0.005 0.000 0.992 113 V HN 0.893 nan 8.190 nan 0.000 0.471 114 H N 5.121 124.213 119.070 0.038 0.000 2.594 114 H HA 0.515 5.071 4.556 -0.000 0.000 0.304 114 H C -0.859 174.515 175.328 0.076 0.000 1.068 114 H CA -0.779 55.338 56.048 0.114 0.000 1.308 114 H CB 1.288 31.195 29.762 0.242 0.000 1.409 114 H HN 0.355 nan 8.280 nan 0.000 0.460 115 V N 6.147 126.179 119.914 0.196 0.000 2.347 115 V HA 0.109 4.229 4.120 -0.000 0.000 0.280 115 V C 0.376 176.472 176.094 0.004 0.000 1.021 115 V CA -0.967 61.339 62.300 0.011 0.000 0.847 115 V CB 0.607 32.465 31.823 0.058 0.000 0.990 115 V HN 0.831 nan 8.190 nan 0.000 0.444 116 N N 4.131 122.742 118.700 -0.148 0.000 2.439 116 N HA 0.579 5.319 4.740 -0.000 0.000 0.243 116 N C 0.027 175.556 175.510 0.032 0.000 1.088 116 N CA 0.589 53.616 53.050 -0.038 0.000 0.940 116 N CB 0.551 38.977 38.487 -0.102 0.000 1.180 116 N HN 0.968 nan 8.380 nan 0.000 0.505 117 G N 1.702 110.551 108.800 0.083 0.000 2.349 117 G HA2 0.134 4.094 3.960 -0.000 0.000 0.294 117 G HA3 0.134 4.094 3.960 -0.000 0.000 0.294 117 G C -2.267 172.724 174.900 0.152 0.000 1.380 117 G CA -0.786 44.380 45.100 0.110 0.000 0.811 117 G HN 0.318 nan 8.290 nan 0.000 0.519 118 Y N 1.891 122.225 120.300 0.058 0.000 2.700 118 Y HA 0.554 5.104 4.550 -0.000 0.000 0.333 118 Y C 0.907 176.845 175.900 0.063 0.000 1.036 118 Y CA -0.273 57.870 58.100 0.072 0.000 1.287 118 Y CB 0.468 38.971 38.460 0.072 0.000 1.132 118 Y HN 0.741 nan 8.280 nan 0.000 0.510 119 G N 4.531 113.401 108.800 0.118 0.000 2.491 119 G HA2 0.257 4.217 3.960 -0.000 0.000 0.242 119 G HA3 0.257 4.217 3.960 -0.000 0.000 0.242 119 G C -1.076 173.918 174.900 0.157 0.000 1.266 119 G CA -0.515 44.654 45.100 0.115 0.000 0.844 119 G HN 0.614 nan 8.290 nan 0.000 0.571 120 K N 1.763 122.242 120.400 0.131 0.000 2.535 120 K HA 0.356 4.676 4.320 -0.000 0.000 0.250 120 K C -0.460 176.180 176.600 0.066 0.000 0.948 120 K CA -0.879 55.477 56.287 0.114 0.000 0.796 120 K CB 1.469 34.042 32.500 0.121 0.000 1.216 120 K HN 0.371 nan 8.250 nan 0.000 0.432 121 I N 5.078 125.677 120.570 0.048 0.000 2.471 121 I HA -0.038 4.132 4.170 -0.000 0.000 0.294 121 I C 1.325 177.459 176.117 0.028 0.000 1.123 121 I CA 0.163 61.483 61.300 0.033 0.000 1.336 121 I CB 0.742 38.757 38.000 0.024 0.000 1.430 121 I HN 0.815 nan 8.210 nan 0.000 0.533 122 T N 1.248 115.819 114.554 0.027 0.000 3.057 122 T HA 0.223 4.573 4.350 -0.000 0.000 0.254 122 T C 0.748 175.458 174.700 0.015 0.000 1.094 122 T CA 0.072 62.185 62.100 0.022 0.000 1.088 122 T CB 0.368 69.250 68.868 0.023 0.000 0.934 122 T HN 0.625 nan 8.240 nan 0.000 0.497 123 G N 0.153 108.962 108.800 0.015 0.000 2.706 123 G HA2 0.451 4.411 3.960 -0.000 0.000 0.297 123 G HA3 0.451 4.411 3.960 -0.000 0.000 0.297 123 G C 0.034 174.940 174.900 0.010 0.000 1.403 123 G CA -0.823 44.284 45.100 0.011 0.000 0.954 123 G HN 0.046 nan 8.290 nan 0.000 0.500 124 K N 0.193 120.597 120.400 0.007 0.000 2.444 124 K HA -0.088 4.232 4.320 -0.000 0.000 0.200 124 K C 0.623 177.228 176.600 0.009 0.000 1.045 124 K CA 1.373 57.662 56.287 0.004 0.000 0.934 124 K CB 0.059 32.559 32.500 0.000 0.000 0.756 124 K HN 0.433 nan 8.250 nan 0.000 0.477 125 N N -0.093 118.614 118.700 0.012 0.000 2.217 125 N HA 0.007 4.747 4.740 -0.000 0.000 0.239 125 N C -1.232 174.287 175.510 0.015 0.000 1.330 125 N CA -0.023 53.036 53.050 0.015 0.000 0.838 125 N CB 1.185 39.681 38.487 0.015 0.000 1.287 125 N HN 0.237 nan 8.380 nan 0.000 0.498 126 Q N 0.796 120.605 119.800 0.015 0.000 2.421 126 Q HA 0.547 4.887 4.340 -0.000 0.000 0.280 126 Q C -1.814 174.198 176.000 0.020 0.000 1.085 126 Q CA -0.565 55.248 55.803 0.017 0.000 0.807 126 Q CB 2.669 31.416 28.738 0.016 0.000 1.405 126 Q HN -0.146 nan 8.270 nan 0.000 0.419 127 V N 1.720 121.647 119.914 0.023 0.000 2.686 127 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 127 V C -0.940 175.175 176.094 0.035 0.000 1.065 127 V CA -0.660 61.658 62.300 0.030 0.000 0.894 127 V CB 2.173 34.014 31.823 0.029 0.000 1.004 127 V HN 0.863 nan 8.190 nan 0.000 0.424 128 T N 3.883 118.463 114.554 0.044 0.000 2.809 128 T HA 0.668 5.018 4.350 -0.000 0.000 0.296 128 T C 0.057 174.798 174.700 0.069 0.000 1.015 128 T CA -0.236 61.893 62.100 0.048 0.000 0.954 128 T CB 1.402 70.295 68.868 0.042 0.000 0.950 128 T HN 0.942 nan 8.240 nan 0.000 0.450 129 A N 3.187 126.046 122.820 0.066 0.000 2.289 129 A HA 0.615 4.935 4.320 -0.000 0.000 0.298 129 A C 0.449 178.082 177.584 0.082 0.000 1.208 129 A CA -0.630 51.459 52.037 0.087 0.000 0.845 129 A CB 0.205 19.248 19.000 0.072 0.000 1.125 129 A HN 0.674 nan 8.150 nan 0.000 0.517 130 T N 4.146 118.767 114.554 0.111 0.000 2.801 130 T HA 0.262 4.612 4.350 -0.000 0.000 0.306 130 T C 0.289 175.040 174.700 0.085 0.000 1.020 130 T CA -0.388 61.760 62.100 0.080 0.000 0.948 130 T CB 0.295 69.201 68.868 0.064 0.000 0.962 130 T HN 0.698 nan 8.240 nan 0.000 0.465 131 K N 1.282 121.716 120.400 0.057 0.000 2.274 131 K HA 0.241 4.561 4.320 -0.000 0.000 0.255 131 K C 1.682 178.311 176.600 0.047 0.000 1.005 131 K CA -0.076 56.240 56.287 0.048 0.000 0.864 131 K CB 0.214 32.728 32.500 0.025 0.000 1.013 131 K HN 0.572 nan 8.250 nan 0.000 0.519 132 A N 1.820 124.665 122.820 0.042 0.000 1.845 132 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 132 A C 1.597 179.193 177.584 0.021 0.000 1.195 132 A CA 2.248 54.306 52.037 0.036 0.000 0.616 132 A CB -1.001 18.018 19.000 0.032 0.000 0.832 132 A HN 0.948 nan 8.150 nan 0.000 0.443 133 D N -2.115 118.295 120.400 0.016 0.000 2.417 133 D HA 0.214 4.854 4.640 -0.000 0.000 0.225 133 D C 1.168 177.473 176.300 0.008 0.000 0.983 133 D CA 1.465 55.471 54.000 0.010 0.000 0.949 133 D CB -0.403 40.402 40.800 0.007 0.000 0.879 133 D HN 0.922 nan 8.370 nan 0.000 0.520 134 G N -1.165 107.641 108.800 0.011 0.000 2.254 134 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.225 134 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.225 134 G C 0.707 175.613 174.900 0.010 0.000 1.003 134 G CA -0.084 45.020 45.100 0.008 0.000 0.622 134 G HN 0.815 nan 8.290 nan 0.000 0.507 135 G N 0.581 109.388 108.800 0.011 0.000 2.614 135 G HA2 0.565 4.525 3.960 -0.000 0.000 0.239 135 G HA3 0.565 4.525 3.960 -0.000 0.000 0.239 135 G C 0.604 175.514 174.900 0.017 0.000 1.240 135 G CA 1.567 46.674 45.100 0.011 0.000 0.842 135 G HN 1.436 nan 8.290 nan 0.000 0.584 136 T N -2.135 112.429 114.554 0.017 0.000 2.819 136 T HA 0.709 5.059 4.350 -0.000 0.000 0.271 136 T C -0.514 174.199 174.700 0.021 0.000 0.986 136 T CA -0.743 61.371 62.100 0.023 0.000 0.989 136 T CB 2.067 70.948 68.868 0.022 0.000 1.396 136 T HN 0.694 nan 8.240 nan 0.000 0.597 137 Q N -0.125 119.690 119.800 0.024 0.000 2.507 137 Q HA 0.494 4.834 4.340 -0.000 0.000 0.242 137 Q C -2.249 173.766 176.000 0.024 0.000 0.911 137 Q CA -0.442 55.373 55.803 0.020 0.000 1.019 137 Q CB 1.416 30.165 28.738 0.019 0.000 1.523 137 Q HN 0.754 nan 8.270 nan 0.000 0.459 138 V N 4.857 124.783 119.914 0.019 0.000 2.532 138 V HA 0.685 4.805 4.120 -0.000 0.000 0.295 138 V C -0.328 175.776 176.094 0.017 0.000 1.041 138 V CA -0.662 61.649 62.300 0.019 0.000 0.926 138 V CB 1.718 33.551 31.823 0.016 0.000 0.992 138 V HN 0.709 nan 8.190 nan 0.000 0.457 139 I N 2.995 123.576 120.570 0.018 0.000 2.468 139 I HA 0.427 4.597 4.170 -0.000 0.000 0.285 139 I C -0.828 175.297 176.117 0.014 0.000 1.039 139 I CA -0.610 60.698 61.300 0.015 0.000 1.074 139 I CB 1.847 39.856 38.000 0.014 0.000 1.228 139 I HN 0.538 nan 8.210 nan 0.000 0.436 140 D N 4.119 124.527 120.400 0.012 0.000 2.232 140 D HA 0.448 5.088 4.640 -0.000 0.000 0.242 140 D C 0.079 176.385 176.300 0.011 0.000 1.093 140 D CA 0.201 54.208 54.000 0.013 0.000 0.845 140 D CB 2.607 43.415 40.800 0.013 0.000 1.124 140 D HN 0.453 nan 8.370 nan 0.000 0.467 141 T N 0.579 115.139 114.554 0.011 0.000 2.900 141 T HA 0.230 4.580 4.350 -0.000 0.000 0.303 141 T C 0.745 175.452 174.700 0.012 0.000 1.142 141 T CA -0.623 61.481 62.100 0.006 0.000 1.007 141 T CB 1.488 70.353 68.868 -0.005 0.000 1.156 141 T HN 0.148 nan 8.240 nan 0.000 0.490 142 K N 1.549 121.956 120.400 0.012 0.000 2.116 142 K HA 0.177 4.497 4.320 -0.000 0.000 0.203 142 K C 0.482 177.101 176.600 0.031 0.000 1.052 142 K CA 0.695 56.997 56.287 0.025 0.000 0.952 142 K CB 0.134 32.656 32.500 0.037 0.000 0.729 142 K HN 0.420 nan 8.250 nan 0.000 0.446 143 N N 0.423 119.127 118.700 0.006 0.000 2.240 143 N HA 0.362 5.102 4.740 -0.000 0.000 0.302 143 N C -1.050 174.478 175.510 0.030 0.000 1.106 143 N CA -0.468 52.612 53.050 0.050 0.000 0.778 143 N CB 2.337 40.823 38.487 -0.002 0.000 1.431 143 N HN -0.084 nan 8.380 nan 0.000 0.479 144 I N 1.551 122.181 120.570 0.099 0.000 2.436 144 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 144 I C -0.836 175.357 176.117 0.126 0.000 1.010 144 I CA -0.889 60.452 61.300 0.069 0.000 1.098 144 I CB 2.041 40.073 38.000 0.054 0.000 1.266 144 I HN 0.187 nan 8.210 nan 0.000 0.434 145 L N 8.221 129.476 121.223 0.054 0.000 2.316 145 L HA 0.548 4.888 4.340 -0.000 0.000 0.280 145 L C -0.634 176.262 176.870 0.044 0.000 1.006 145 L CA -0.124 54.751 54.840 0.058 0.000 0.836 145 L CB 0.970 43.000 42.059 -0.047 0.000 1.221 145 L HN 0.401 nan 8.230 nan 0.000 0.418 146 I N 5.589 126.201 120.570 0.070 0.000 2.363 146 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 146 I C 0.696 176.840 176.117 0.046 0.000 1.075 146 I CA 0.139 61.471 61.300 0.052 0.000 1.333 146 I CB 1.122 39.155 38.000 0.056 0.000 1.415 146 I HN 0.825 nan 8.210 nan 0.000 0.502 147 A N 3.775 126.616 122.820 0.035 0.000 2.795 147 A HA 0.198 4.518 4.320 -0.000 0.000 0.282 147 A C 1.235 178.844 177.584 0.041 0.000 0.964 147 A CA -0.287 51.767 52.037 0.029 0.000 1.045 147 A CB -0.414 18.595 19.000 0.014 0.000 1.174 147 A HN 0.743 nan 8.150 nan 0.000 0.493 148 T N -3.087 111.503 114.554 0.061 0.000 3.051 148 T HA 0.345 4.695 4.350 -0.000 0.000 0.269 148 T C 1.515 176.292 174.700 0.128 0.000 1.127 148 T CA 1.194 63.357 62.100 0.104 0.000 1.107 148 T CB -0.439 68.518 68.868 0.149 0.000 0.898 148 T HN 1.954 nan 8.240 nan 0.000 0.517 149 G N 1.542 110.395 108.800 0.088 0.000 2.547 149 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.271 149 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.271 149 G C 0.072 175.042 174.900 0.116 0.000 1.209 149 G CA 0.490 45.633 45.100 0.070 0.000 0.959 149 G HN 1.559 nan 8.290 nan 0.000 0.563 150 S N -0.658 115.086 115.700 0.073 0.000 2.811 150 S HA 0.859 5.329 4.470 -0.000 0.000 0.311 150 S C -0.559 174.057 174.600 0.028 0.000 1.152 150 S CA 0.410 58.667 58.200 0.095 0.000 0.864 150 S CB 2.410 65.644 63.200 0.056 0.000 1.226 150 S HN 1.791 nan 8.310 nan 0.000 0.541 151 E N -0.694 119.541 120.200 0.057 0.000 2.449 151 E HA 0.618 4.968 4.350 -0.000 0.000 0.278 151 E C -1.443 175.182 176.600 0.041 0.000 0.992 151 E CA -1.294 55.113 56.400 0.010 0.000 0.807 151 E CB 1.328 31.054 29.700 0.044 0.000 1.350 151 E HN 0.397 nan 8.360 nan 0.000 0.462 152 V N 1.455 121.386 119.914 0.030 0.000 2.673 152 V HA 0.070 4.190 4.120 -0.000 0.000 0.303 152 V C 0.125 176.253 176.094 0.056 0.000 1.046 152 V CA 0.284 62.610 62.300 0.043 0.000 1.126 152 V CB 0.986 32.834 31.823 0.042 0.000 0.934 152 V HN 0.709 nan 8.190 nan 0.000 0.487 153 T N 7.928 122.513 114.554 0.052 0.000 2.737 153 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 153 T C -1.980 172.753 174.700 0.055 0.000 0.922 153 T CA -0.612 61.514 62.100 0.043 0.000 1.079 153 T CB 0.849 69.728 68.868 0.019 0.000 0.892 153 T HN 0.619 nan 8.240 nan 0.000 0.514 154 P HA 0.239 nan 4.420 nan 0.000 0.274 154 P C -0.870 176.504 177.300 0.124 0.000 1.237 154 P CA -0.607 62.551 63.100 0.096 0.000 0.793 154 P CB 0.643 32.393 31.700 0.083 0.000 0.977 155 F N 2.854 122.808 119.950 0.006 0.000 2.361 155 F HA 0.424 4.951 4.527 -0.000 0.000 0.364 155 F C -2.251 173.548 175.800 -0.002 0.000 1.120 155 F CA -3.309 54.690 58.000 -0.001 0.000 1.102 155 F CB 0.327 39.328 39.000 0.001 0.000 1.183 155 F HN 0.121 nan 8.300 nan 0.000 0.476 156 P HA 0.215 nan 4.420 nan 0.000 0.264 156 P C 0.569 178.036 177.300 0.278 0.000 1.183 156 P CA 1.400 64.641 63.100 0.235 0.000 0.763 156 P CB 0.588 32.360 31.700 0.121 0.000 0.807 157 G N 2.332 111.209 108.800 0.129 0.000 2.234 157 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 157 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 157 G C 0.109 175.003 174.900 -0.010 0.000 0.987 157 G CA -0.118 45.017 45.100 0.059 0.000 0.625 157 G HN 0.523 nan 8.290 nan 0.000 0.532 158 I N 2.227 122.788 120.570 -0.014 0.000 2.420 158 I HA 0.311 4.481 4.170 -0.000 0.000 0.282 158 I C -0.138 175.968 176.117 -0.019 0.000 1.019 158 I CA -0.584 60.660 61.300 -0.094 0.000 1.130 158 I CB 1.840 39.671 38.000 -0.283 0.000 1.262 158 I HN -0.037 nan 8.210 nan 0.000 0.454 159 T N 6.932 121.475 114.554 -0.018 0.000 2.749 159 T HA 0.432 4.782 4.350 -0.000 0.000 0.295 159 T C 0.350 175.045 174.700 -0.008 0.000 0.936 159 T CA -0.188 61.913 62.100 0.000 0.000 1.060 159 T CB 0.506 69.373 68.868 -0.001 0.000 0.904 159 T HN 0.277 nan 8.240 nan 0.000 0.500 160 I N 4.003 124.577 120.570 0.007 0.000 2.452 160 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 160 I C 0.812 176.926 176.117 -0.005 0.000 1.079 160 I CA -0.153 61.148 61.300 0.001 0.000 1.387 160 I CB 0.695 38.705 38.000 0.017 0.000 1.404 160 I HN 0.741 nan 8.210 nan 0.000 0.522 161 D N 4.079 124.469 120.400 -0.016 0.000 2.433 161 D HA -0.024 4.616 4.640 -0.000 0.000 0.211 161 D C 0.489 176.776 176.300 -0.021 0.000 1.114 161 D CA -0.203 53.786 54.000 -0.018 0.000 0.837 161 D CB 0.227 41.013 40.800 -0.024 0.000 0.984 161 D HN 0.403 nan 8.370 nan 0.000 0.505 162 E N -0.467 119.720 120.200 -0.022 0.000 2.971 162 E HA -0.296 4.054 4.350 -0.000 0.000 0.271 162 E C 0.125 176.703 176.600 -0.038 0.000 1.053 162 E CA 1.490 57.876 56.400 -0.025 0.000 0.817 162 E CB -1.439 28.253 29.700 -0.014 0.000 1.410 162 E HN 0.662 nan 8.360 nan 0.000 0.445 163 D N -0.838 119.534 120.400 -0.047 0.000 3.154 163 D HA 0.044 4.684 4.640 -0.000 0.000 0.278 163 D C 1.782 178.033 176.300 -0.081 0.000 1.460 163 D CA 2.010 55.975 54.000 -0.058 0.000 1.114 163 D CB -0.011 40.760 40.800 -0.049 0.000 1.151 163 D HN 0.120 nan 8.370 nan 0.000 0.376 164 T N -1.783 112.725 114.554 -0.078 0.000 3.000 164 T HA 0.319 4.669 4.350 -0.000 0.000 0.248 164 T C 1.004 175.650 174.700 -0.090 0.000 1.034 164 T CA -0.135 61.908 62.100 -0.094 0.000 1.060 164 T CB 0.286 69.104 68.868 -0.083 0.000 0.983 164 T HN 0.104 nan 8.240 nan 0.000 0.482 165 I N 4.066 124.593 120.570 -0.071 0.000 2.361 165 I HA 0.421 4.591 4.170 -0.000 0.000 0.282 165 I C -0.026 176.063 176.117 -0.047 0.000 1.075 165 I CA -1.077 60.185 61.300 -0.062 0.000 1.205 165 I CB 1.163 39.129 38.000 -0.058 0.000 1.406 165 I HN 0.149 nan 8.210 nan 0.000 0.481 166 V N 2.477 122.362 119.914 -0.049 0.000 3.096 166 V HA 0.767 4.887 4.120 -0.000 0.000 0.319 166 V C 0.339 176.432 176.094 -0.001 0.000 1.082 166 V CA -0.323 61.959 62.300 -0.030 0.000 1.022 166 V CB 1.721 33.516 31.823 -0.047 0.000 1.103 166 V HN 0.628 nan 8.190 nan 0.000 0.455 167 S N 0.367 116.075 115.700 0.013 0.000 2.776 167 S HA 0.406 4.876 4.470 -0.000 0.000 0.306 167 S C 1.294 175.921 174.600 0.044 0.000 1.114 167 S CA 0.086 58.307 58.200 0.035 0.000 0.973 167 S CB 0.973 64.193 63.200 0.033 0.000 1.250 167 S HN 1.719 nan 8.310 nan 0.000 0.549 168 S N 0.194 115.928 115.700 0.057 0.000 2.400 168 S HA -0.124 4.346 4.470 -0.000 0.000 0.232 168 S C 1.654 176.290 174.600 0.061 0.000 1.025 168 S CA 1.734 59.976 58.200 0.070 0.000 0.993 168 S CB -1.552 61.688 63.200 0.067 0.000 0.808 168 S HN 0.768 nan 8.310 nan 0.000 0.478 169 T N 1.978 116.555 114.554 0.038 0.000 2.737 169 T HA 0.068 4.418 4.350 -0.000 0.000 0.265 169 T C 2.095 176.814 174.700 0.032 0.000 1.038 169 T CA 1.372 63.489 62.100 0.027 0.000 1.144 169 T CB -1.044 67.829 68.868 0.009 0.000 0.866 169 T HN 0.623 nan 8.240 nan 0.000 0.434 170 G N 1.016 109.829 108.800 0.021 0.000 2.408 170 G HA2 0.008 3.968 3.960 -0.000 0.000 0.217 170 G HA3 0.008 3.968 3.960 -0.000 0.000 0.217 170 G C 1.826 176.739 174.900 0.022 0.000 1.150 170 G CA 0.802 45.906 45.100 0.007 0.000 0.776 170 G HN 0.563 nan 8.290 nan 0.000 0.542 171 A N 0.484 123.333 122.820 0.048 0.000 2.024 171 A HA 0.098 4.418 4.320 -0.000 0.000 0.220 171 A C 2.252 180.016 177.584 0.301 0.000 1.164 171 A CA 0.997 53.105 52.037 0.118 0.000 0.643 171 A CB -0.308 18.781 19.000 0.149 0.000 0.806 171 A HN 0.368 nan 8.150 nan 0.000 0.451 172 L N -0.757 120.583 121.223 0.195 0.000 2.599 172 L HA 0.062 4.402 4.340 -0.000 0.000 0.230 172 L C 0.765 177.743 176.870 0.180 0.000 1.141 172 L CA 0.471 55.422 54.840 0.185 0.000 0.877 172 L CB 0.235 42.347 42.059 0.087 0.000 1.009 172 L HN 0.216 nan 8.230 nan 0.000 0.447 173 S N -0.134 115.665 115.700 0.165 0.000 2.901 173 S HA 0.264 4.734 4.470 -0.000 0.000 0.248 173 S C -0.151 174.503 174.600 0.090 0.000 1.021 173 S CA -0.541 57.732 58.200 0.122 0.000 1.090 173 S CB 0.362 63.595 63.200 0.055 0.000 1.039 173 S HN -0.056 nan 8.310 nan 0.000 0.514 174 L N 2.615 123.902 121.223 0.106 0.000 2.499 174 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 174 L C 1.508 178.363 176.870 -0.025 0.000 1.195 174 L CA 0.500 55.262 54.840 -0.130 0.000 0.882 174 L CB 0.318 41.972 42.059 -0.676 0.000 1.133 174 L HN 0.045 nan 8.230 nan 0.000 0.483 175 K N 2.208 122.571 120.400 -0.063 0.000 2.288 175 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 175 K C 0.262 176.847 176.600 -0.025 0.000 1.048 175 K CA 0.799 57.072 56.287 -0.023 0.000 0.956 175 K CB 0.198 32.677 32.500 -0.035 0.000 0.746 175 K HN 0.392 nan 8.250 nan 0.000 0.461 176 K N 0.342 120.691 120.400 -0.086 0.000 2.477 176 K HA 0.276 4.596 4.320 -0.000 0.000 0.255 176 K C -0.933 175.584 176.600 -0.139 0.000 0.952 176 K CA -0.811 55.433 56.287 -0.072 0.000 0.826 176 K CB 2.786 35.238 32.500 -0.080 0.000 1.331 176 K HN -0.345 nan 8.250 nan 0.000 0.437 177 V N 4.910 124.807 119.914 -0.028 0.000 2.446 177 V HA 0.083 4.203 4.120 -0.000 0.000 0.276 177 V C -1.659 174.357 176.094 -0.129 0.000 1.030 177 V CA -0.979 61.318 62.300 -0.005 0.000 1.033 177 V CB 0.212 32.098 31.823 0.104 0.000 0.993 177 V HN 0.589 nan 8.190 nan 0.000 0.477 178 P HA 0.134 nan 4.420 nan 0.000 0.271 178 P C 0.615 177.842 177.300 -0.123 0.000 1.218 178 P CA -0.210 62.766 63.100 -0.206 0.000 0.780 178 P CB 1.465 32.990 31.700 -0.291 0.000 0.901 179 E N 1.644 121.786 120.200 -0.097 0.000 2.028 179 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 179 E C 0.178 176.733 176.600 -0.075 0.000 0.988 179 E CA 1.074 57.433 56.400 -0.069 0.000 0.799 179 E CB 0.222 29.888 29.700 -0.057 0.000 0.755 179 E HN 0.397 nan 8.360 nan 0.000 0.447 180 K N 0.368 120.716 120.400 -0.087 0.000 2.324 180 K HA 0.412 4.732 4.320 -0.000 0.000 0.253 180 K C -0.921 175.613 176.600 -0.110 0.000 0.932 180 K CA -0.511 55.723 56.287 -0.088 0.000 0.799 180 K CB 2.159 34.617 32.500 -0.069 0.000 1.154 180 K HN 0.034 nan 8.250 nan 0.000 0.425 181 M N 3.034 122.565 119.600 -0.116 0.000 2.324 181 M HA 0.319 4.799 4.480 -0.000 0.000 0.288 181 M C -1.832 174.408 176.300 -0.100 0.000 1.097 181 M CA -0.843 54.381 55.300 -0.126 0.000 0.928 181 M CB 1.857 34.360 32.600 -0.161 0.000 1.648 181 M HN 0.296 nan 8.290 nan 0.000 0.460 182 V N 4.888 124.758 119.914 -0.073 0.000 2.483 182 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 182 V C -0.682 175.405 176.094 -0.011 0.000 1.035 182 V CA -0.665 61.613 62.300 -0.037 0.000 0.896 182 V CB 1.937 33.742 31.823 -0.029 0.000 0.986 182 V HN 0.683 nan 8.190 nan 0.000 0.447 183 V N 5.919 125.854 119.914 0.036 0.000 2.448 183 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 183 V C -0.125 176.040 176.094 0.118 0.000 1.025 183 V CA -0.464 61.888 62.300 0.086 0.000 0.859 183 V CB 1.784 33.695 31.823 0.147 0.000 0.988 183 V HN 0.658 nan 8.190 nan 0.000 0.431 184 I N 4.726 125.369 120.570 0.123 0.000 2.301 184 I HA 0.657 4.827 4.170 -0.000 0.000 0.292 184 I C 0.796 177.021 176.117 0.179 0.000 1.046 184 I CA 0.105 61.505 61.300 0.165 0.000 1.282 184 I CB 0.859 38.984 38.000 0.208 0.000 1.409 184 I HN 0.885 nan 8.210 nan 0.000 0.484 185 G N 4.524 113.432 108.800 0.180 0.000 3.225 185 G HA2 0.102 4.062 3.960 -0.000 0.000 0.686 185 G HA3 0.102 4.062 3.960 -0.000 0.000 0.686 185 G C -0.361 174.649 174.900 0.184 0.000 1.105 185 G CA -0.365 44.833 45.100 0.163 0.000 0.831 185 G HN 0.922 nan 8.290 nan 0.000 0.578 186 A N 1.709 124.624 122.820 0.158 0.000 3.003 186 A HA 0.781 5.101 4.320 -0.000 0.000 0.301 186 A C 1.315 178.978 177.584 0.131 0.000 1.280 186 A CA 1.060 53.202 52.037 0.175 0.000 0.973 186 A CB -0.215 18.855 19.000 0.116 0.000 1.110 186 A HN 2.111 nan 8.150 nan 0.000 0.590 187 G N -1.193 107.699 108.800 0.153 0.000 2.543 187 G HA2 0.381 4.341 3.960 -0.000 0.000 0.290 187 G HA3 0.381 4.341 3.960 -0.000 0.000 0.290 187 G C 1.076 176.101 174.900 0.209 0.000 1.310 187 G CA 0.151 45.348 45.100 0.162 0.000 1.025 187 G HN 0.169 nan 8.290 nan 0.000 0.502 188 V N 0.237 120.282 119.914 0.218 0.000 2.287 188 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 188 V C 2.831 179.061 176.094 0.226 0.000 1.053 188 V CA 1.796 64.238 62.300 0.237 0.000 1.027 188 V CB -0.788 31.159 31.823 0.206 0.000 0.646 188 V HN 0.587 nan 8.190 nan 0.000 0.447 189 I N 0.771 121.452 120.570 0.185 0.000 2.226 189 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 189 I C 2.609 178.845 176.117 0.199 0.000 1.100 189 I CA 1.797 63.198 61.300 0.168 0.000 1.374 189 I CB -0.984 37.094 38.000 0.130 0.000 1.057 189 I HN 0.428 nan 8.210 nan 0.000 0.413 190 G N 0.418 109.346 108.800 0.213 0.000 2.422 190 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 190 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 190 G C 1.693 176.801 174.900 0.347 0.000 1.146 190 G CA 0.797 46.046 45.100 0.249 0.000 0.769 190 G HN 0.254 nan 8.290 nan 0.000 0.547 191 V N 0.609 120.740 119.914 0.362 0.000 2.453 191 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 191 V C 2.623 178.999 176.094 0.470 0.000 1.048 191 V CA 2.003 64.574 62.300 0.452 0.000 1.049 191 V CB -0.444 31.601 31.823 0.369 0.000 0.672 191 V HN 0.445 nan 8.190 nan 0.000 0.457 192 E N 0.303 120.710 120.200 0.345 0.000 2.031 192 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 192 E C 2.271 179.000 176.600 0.215 0.000 0.994 192 E CA 1.329 57.894 56.400 0.276 0.000 0.800 192 E CB -0.243 29.588 29.700 0.218 0.000 0.752 192 E HN 0.464 nan 8.360 nan 0.000 0.447 193 L N 0.502 121.848 121.223 0.205 0.000 2.083 193 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 193 L C 2.587 179.580 176.870 0.205 0.000 1.083 193 L CA 1.214 56.166 54.840 0.186 0.000 0.752 193 L CB -0.663 41.526 42.059 0.217 0.000 0.899 193 L HN 0.255 nan 8.230 nan 0.000 0.433 194 G N -1.426 107.508 108.800 0.223 0.000 2.422 194 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 194 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 194 G C 1.809 176.584 174.900 -0.208 0.000 1.146 194 G CA 0.990 46.088 45.100 -0.003 0.000 0.769 194 G HN 0.343 nan 8.290 nan 0.000 0.547 195 S N -0.603 115.183 115.700 0.143 0.000 2.406 195 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 195 S C 2.505 177.099 174.600 -0.009 0.000 1.020 195 S CA 1.162 59.438 58.200 0.127 0.000 0.965 195 S CB -0.192 63.212 63.200 0.339 0.000 0.798 195 S HN 0.122 nan 8.310 nan 0.000 0.488 196 V N 0.181 120.060 119.914 -0.059 0.000 2.261 196 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 196 V C 1.931 177.800 176.094 -0.376 0.000 1.047 196 V CA 1.992 64.138 62.300 -0.256 0.000 1.015 196 V CB -0.782 30.797 31.823 -0.408 0.000 0.642 196 V HN 0.678 nan 8.190 nan 0.000 0.446 197 W N -0.688 120.554 121.300 -0.098 0.000 2.467 197 W HA -0.078 4.582 4.660 -0.000 0.000 0.275 197 W C 2.617 179.036 176.519 -0.167 0.000 1.239 197 W CA 0.841 58.108 57.345 -0.130 0.000 1.266 197 W CB -0.241 29.139 29.460 -0.134 0.000 1.112 197 W HN 0.170 nan 8.180 nan 0.000 0.576 198 Q N 1.482 121.244 119.800 -0.064 0.000 2.030 198 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 198 Q C 2.007 177.950 176.000 -0.096 0.000 0.986 198 Q CA 1.788 57.500 55.803 -0.152 0.000 0.843 198 Q CB -0.359 28.198 28.738 -0.301 0.000 0.904 198 Q HN 0.314 nan 8.270 nan 0.000 0.420 199 R N -0.050 120.392 120.500 -0.096 0.000 2.127 199 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 199 R C 2.407 178.714 176.300 0.011 0.000 1.134 199 R CA 1.195 57.243 56.100 -0.086 0.000 0.975 199 R CB -0.319 29.957 30.300 -0.040 0.000 0.865 199 R HN 0.279 nan 8.270 nan 0.000 0.447 200 L N -0.752 120.450 121.223 -0.035 0.000 2.552 200 L HA 0.082 4.422 4.340 -0.000 0.000 0.227 200 L C 1.302 178.160 176.870 -0.020 0.000 1.146 200 L CA 0.759 55.550 54.840 -0.081 0.000 0.858 200 L CB 0.104 42.077 42.059 -0.144 0.000 0.969 200 L HN 0.578 nan 8.230 nan 0.000 0.451 201 G N -0.987 107.818 108.800 0.009 0.000 2.367 201 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.181 201 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.181 201 G C 0.323 175.222 174.900 -0.002 0.000 1.000 201 G CA -0.189 44.913 45.100 0.002 0.000 0.693 201 G HN 0.369 nan 8.290 nan 0.000 0.480 202 A N 0.508 123.336 122.820 0.013 0.000 2.351 202 A HA 0.535 4.855 4.320 -0.000 0.000 0.257 202 A C 0.040 177.583 177.584 -0.069 0.000 1.087 202 A CA 0.453 52.476 52.037 -0.023 0.000 0.798 202 A CB 0.487 19.486 19.000 -0.002 0.000 1.033 202 A HN 0.338 nan 8.150 nan 0.000 0.488 203 D N 2.039 122.391 120.400 -0.079 0.000 2.396 203 D HA 0.399 5.039 4.640 -0.000 0.000 0.225 203 D C -0.932 175.289 176.300 -0.131 0.000 1.121 203 D CA 0.019 53.965 54.000 -0.091 0.000 0.853 203 D CB 0.858 41.621 40.800 -0.063 0.000 1.043 203 D HN 0.125 nan 8.370 nan 0.000 0.500 204 V N 3.288 123.081 119.914 -0.203 0.000 2.581 204 V HA 0.513 4.633 4.120 -0.000 0.000 0.303 204 V C 0.274 176.227 176.094 -0.236 0.000 1.041 204 V CA -0.583 61.543 62.300 -0.291 0.000 0.907 204 V CB 2.031 33.508 31.823 -0.576 0.000 0.994 204 V HN 0.571 nan 8.190 nan 0.000 0.442 205 T N 3.304 117.768 114.554 -0.149 0.000 3.031 205 T HA 0.663 5.013 4.350 -0.000 0.000 0.305 205 T C -0.317 174.384 174.700 0.002 0.000 0.985 205 T CA -0.283 61.778 62.100 -0.065 0.000 1.008 205 T CB 1.545 70.394 68.868 -0.031 0.000 1.005 205 T HN 0.975 nan 8.240 nan 0.000 0.444 206 A N 2.936 125.784 122.820 0.047 0.000 2.305 206 A HA 0.804 5.124 4.320 -0.000 0.000 0.322 206 A C -0.279 177.412 177.584 0.179 0.000 1.187 206 A CA -0.583 51.549 52.037 0.158 0.000 0.825 206 A CB 0.737 19.909 19.000 0.287 0.000 1.164 206 A HN 0.672 nan 8.150 nan 0.000 0.498 207 V N 2.347 122.361 119.914 0.166 0.000 2.398 207 V HA 0.501 4.621 4.120 -0.000 0.000 0.286 207 V C -0.319 175.882 176.094 0.178 0.000 1.026 207 V CA -0.329 62.066 62.300 0.158 0.000 0.868 207 V CB 1.327 33.226 31.823 0.127 0.000 0.982 207 V HN 0.993 nan 8.190 nan 0.000 0.443 208 E N 3.019 123.317 120.200 0.163 0.000 2.224 208 E HA 0.369 4.719 4.350 -0.000 0.000 0.265 208 E C -0.032 176.656 176.600 0.147 0.000 0.878 208 E CA -0.647 55.839 56.400 0.143 0.000 0.759 208 E CB 1.432 31.177 29.700 0.074 0.000 1.164 208 E HN 0.392 nan 8.360 nan 0.000 0.414 209 F N 4.382 124.343 119.950 0.018 0.000 2.102 209 F HA 0.118 4.645 4.527 -0.000 0.000 0.298 209 F C 0.378 176.173 175.800 -0.009 0.000 1.105 209 F CA 1.078 59.084 58.000 0.011 0.000 1.239 209 F CB 0.114 39.119 39.000 0.008 0.000 0.991 209 F HN 0.465 nan 8.300 nan 0.000 0.474 210 L N -0.715 120.519 121.223 0.019 0.000 2.475 210 L HA 0.222 4.562 4.340 -0.000 0.000 0.250 210 L C 1.713 178.498 176.870 -0.142 0.000 1.224 210 L CA 0.193 54.974 54.840 -0.099 0.000 0.821 210 L CB -0.021 41.995 42.059 -0.072 0.000 1.141 210 L HN 0.096 nan 8.230 nan 0.000 0.494 211 G N -1.094 107.670 108.800 -0.060 0.000 3.314 211 G HA2 0.113 4.073 3.960 -0.000 0.000 0.238 211 G HA3 0.113 4.073 3.960 -0.000 0.000 0.238 211 G C 0.083 174.992 174.900 0.014 0.000 1.184 211 G CA 0.031 45.113 45.100 -0.030 0.000 0.806 211 G HN 0.726 nan 8.290 nan 0.000 0.536 212 H N -2.023 117.003 119.070 -0.074 0.000 3.016 212 H HA 0.547 5.103 4.556 -0.000 0.000 0.362 212 H C -1.072 174.194 175.328 -0.103 0.000 1.233 212 H CA -0.881 55.105 56.048 -0.102 0.000 1.124 212 H CB 1.230 30.939 29.762 -0.088 0.000 1.850 212 H HN 0.125 nan 8.280 nan 0.000 0.549 213 V N -1.360 118.442 119.914 -0.187 0.000 2.837 213 V HA 0.752 4.872 4.120 -0.000 0.000 0.310 213 V C 1.043 177.178 176.094 0.067 0.000 1.059 213 V CA 0.337 62.515 62.300 -0.202 0.000 1.004 213 V CB 0.787 32.307 31.823 -0.505 0.000 1.045 213 V HN 1.453 nan 8.190 nan 0.000 0.465 214 G N 0.326 109.209 108.800 0.137 0.000 2.184 214 G HA2 0.320 4.280 3.960 -0.000 0.000 0.206 214 G HA3 0.320 4.280 3.960 -0.000 0.000 0.206 214 G C 1.509 176.567 174.900 0.263 0.000 0.995 214 G CA 0.356 45.606 45.100 0.251 0.000 0.651 214 G HN 2.960 nan 8.290 nan 0.000 0.511 215 G N -1.750 107.171 108.800 0.201 0.000 2.632 215 G HA2 0.146 4.106 3.960 -0.000 0.000 0.224 215 G HA3 0.146 4.106 3.960 -0.000 0.000 0.224 215 G C 0.020 175.099 174.900 0.298 0.000 1.341 215 G CA 0.187 45.420 45.100 0.222 0.000 0.880 215 G HN 1.483 nan 8.290 nan 0.000 0.566 216 V N 1.323 121.386 119.914 0.248 0.000 2.546 216 V HA 0.571 4.691 4.120 -0.000 0.000 0.284 216 V C 1.723 177.949 176.094 0.219 0.000 1.050 216 V CA 1.781 64.205 62.300 0.207 0.000 0.981 216 V CB 0.435 32.352 31.823 0.156 0.000 0.990 216 V HN 2.827 nan 8.190 nan 0.000 0.474 217 G N 4.303 113.169 108.800 0.110 0.000 2.258 217 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.233 217 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.233 217 G C 0.330 175.132 174.900 -0.163 0.000 1.006 217 G CA 0.176 45.349 45.100 0.122 0.000 0.620 217 G HN 0.656 nan 8.290 nan 0.000 0.511 218 I N 1.848 122.179 120.570 -0.399 0.000 2.836 218 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 218 I C 0.464 176.185 176.117 -0.659 0.000 1.174 218 I CA -0.037 60.638 61.300 -1.040 0.000 1.405 218 I CB 0.613 38.162 38.000 -0.752 0.000 1.385 218 I HN 0.263 nan 8.210 nan 0.000 0.594 219 D N 5.688 125.671 120.400 -0.695 0.000 2.351 219 D HA 0.065 4.705 4.640 -0.000 0.000 0.251 219 D C 1.015 177.083 176.300 -0.387 0.000 1.137 219 D CA -0.348 53.324 54.000 -0.546 0.000 0.879 219 D CB 0.994 41.319 40.800 -0.791 0.000 1.181 219 D HN 0.364 nan 8.370 nan 0.000 0.448 220 M N 2.359 121.768 119.600 -0.319 0.000 2.108 220 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 220 M C 1.805 178.011 176.300 -0.157 0.000 1.066 220 M CA 1.488 56.649 55.300 -0.231 0.000 1.107 220 M CB -1.057 31.423 32.600 -0.200 0.000 1.356 220 M HN 0.701 nan 8.290 nan 0.000 0.406 221 E N 0.401 120.507 120.200 -0.156 0.000 2.077 221 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 221 E C 1.993 178.544 176.600 -0.081 0.000 0.989 221 E CA 0.995 57.334 56.400 -0.101 0.000 0.800 221 E CB 0.174 29.819 29.700 -0.093 0.000 0.746 221 E HN 0.296 nan 8.360 nan 0.000 0.452 222 I N 1.010 121.506 120.570 -0.123 0.000 2.142 222 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 222 I C 2.677 178.784 176.117 -0.017 0.000 1.078 222 I CA 1.242 62.497 61.300 -0.075 0.000 1.343 222 I CB -1.465 36.455 38.000 -0.132 0.000 1.046 222 I HN 0.209 nan 8.210 nan 0.000 0.405 223 S N 0.688 116.350 115.700 -0.063 0.000 2.365 223 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 223 S C 2.046 176.669 174.600 0.037 0.000 1.039 223 S CA 1.904 60.119 58.200 0.025 0.000 1.033 223 S CB -0.059 63.127 63.200 -0.025 0.000 0.887 223 S HN 0.238 nan 8.310 nan 0.000 0.447 224 K N 1.710 122.101 120.400 -0.014 0.000 2.026 224 K HA 0.081 4.401 4.320 -0.000 0.000 0.208 224 K C 1.977 178.574 176.600 -0.005 0.000 1.048 224 K CA 1.617 57.888 56.287 -0.028 0.000 0.929 224 K CB -0.407 32.074 32.500 -0.033 0.000 0.713 224 K HN 0.366 nan 8.250 nan 0.000 0.439 225 N N -0.304 118.415 118.700 0.030 0.000 2.309 225 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 225 N C 1.519 177.096 175.510 0.112 0.000 1.018 225 N CA 0.714 53.798 53.050 0.057 0.000 0.876 225 N CB -0.231 38.291 38.487 0.059 0.000 0.972 225 N HN 0.116 nan 8.380 nan 0.000 0.434 226 F N 2.200 122.123 119.950 -0.044 0.000 2.113 226 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 226 F C 2.521 178.277 175.800 -0.074 0.000 1.103 226 F CA 1.340 59.316 58.000 -0.039 0.000 1.248 226 F CB -0.680 38.292 39.000 -0.046 0.000 0.999 226 F HN 0.026 nan 8.300 nan 0.000 0.475 227 Q N 0.361 119.975 119.800 -0.310 0.000 2.061 227 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 227 Q C 2.567 178.431 176.000 -0.226 0.000 0.984 227 Q CA 1.880 57.382 55.803 -0.502 0.000 0.846 227 Q CB -0.379 28.085 28.738 -0.458 0.000 0.902 227 Q HN 0.416 nan 8.270 nan 0.000 0.421 228 R N -0.087 120.352 120.500 -0.102 0.000 2.105 228 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 228 R C 2.223 178.530 176.300 0.012 0.000 1.135 228 R CA 1.459 57.546 56.100 -0.022 0.000 0.967 228 R CB -0.147 30.154 30.300 0.001 0.000 0.861 228 R HN 0.376 nan 8.270 nan 0.000 0.442 229 I N 0.278 120.857 120.570 0.015 0.000 2.406 229 I HA -0.235 3.935 4.170 -0.000 0.000 0.249 229 I C 2.065 178.220 176.117 0.063 0.000 1.122 229 I CA 0.762 62.100 61.300 0.063 0.000 1.431 229 I CB -0.056 38.012 38.000 0.113 0.000 1.087 229 I HN 0.179 nan 8.210 nan 0.000 0.424 230 L N 0.076 121.288 121.223 -0.019 0.000 2.083 230 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 230 L C 2.588 179.555 176.870 0.161 0.000 1.083 230 L CA 1.424 56.291 54.840 0.044 0.000 0.752 230 L CB -0.486 41.486 42.059 -0.144 0.000 0.899 230 L HN 0.316 nan 8.230 nan 0.000 0.433 231 Q N -0.033 119.849 119.800 0.136 0.000 2.119 231 Q HA -0.205 4.135 4.340 -0.000 0.000 0.201 231 Q C 1.944 178.014 176.000 0.116 0.000 0.972 231 Q CA 1.313 57.211 55.803 0.158 0.000 0.847 231 Q CB 0.049 28.868 28.738 0.136 0.000 0.903 231 Q HN 0.428 nan 8.270 nan 0.000 0.433 232 K N 0.187 120.645 120.400 0.097 0.000 2.486 232 K HA -0.080 4.240 4.320 -0.000 0.000 0.194 232 K C 1.616 178.275 176.600 0.098 0.000 1.033 232 K CA 0.499 56.839 56.287 0.088 0.000 1.004 232 K CB 0.202 32.751 32.500 0.081 0.000 0.798 232 K HN 0.230 nan 8.250 nan 0.000 0.495 233 Q N -0.952 118.918 119.800 0.117 0.000 2.402 233 Q HA 0.040 4.380 4.340 -0.000 0.000 0.206 233 Q C 0.973 177.013 176.000 0.067 0.000 0.919 233 Q CA 0.692 56.560 55.803 0.109 0.000 0.923 233 Q CB 0.863 29.688 28.738 0.145 0.000 1.048 233 Q HN 0.505 nan 8.270 nan 0.000 0.515 234 G N 0.196 109.050 108.800 0.089 0.000 2.296 234 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.188 234 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.188 234 G C -0.344 174.596 174.900 0.066 0.000 1.000 234 G CA -0.606 44.525 45.100 0.051 0.000 0.672 234 G HN 0.252 nan 8.290 nan 0.000 0.483 235 F N 3.791 123.700 119.950 -0.070 0.000 2.502 235 F HA 0.598 5.125 4.527 -0.000 0.000 0.371 235 F C 0.723 176.359 175.800 -0.272 0.000 1.083 235 F CA -0.686 57.197 58.000 -0.195 0.000 1.174 235 F CB 0.405 39.311 39.000 -0.156 0.000 1.096 235 F HN 0.029 nan 8.300 nan 0.000 0.545 236 K N 5.572 126.028 120.400 0.093 0.000 2.118 236 K HA 0.600 4.920 4.320 -0.000 0.000 0.254 236 K C -1.405 175.025 176.600 -0.285 0.000 0.961 236 K CA -0.545 55.732 56.287 -0.018 0.000 0.876 236 K CB 1.559 34.063 32.500 0.006 0.000 1.077 236 K HN 0.384 nan 8.250 nan 0.000 0.440 237 F N 0.601 120.597 119.950 0.077 0.000 2.588 237 F HA 0.377 4.904 4.527 -0.000 0.000 0.310 237 F C -0.211 175.602 175.800 0.021 0.000 1.082 237 F CA -0.878 57.138 58.000 0.026 0.000 0.929 237 F CB 2.050 40.999 39.000 -0.084 0.000 1.254 237 F HN 0.103 nan 8.300 nan 0.000 0.455 238 K N 4.127 124.658 120.400 0.217 0.000 2.579 238 K HA 0.479 4.799 4.320 -0.000 0.000 0.225 238 K C -1.079 175.587 176.600 0.109 0.000 0.992 238 K CA -0.316 56.048 56.287 0.127 0.000 1.018 238 K CB 1.152 33.708 32.500 0.094 0.000 1.249 238 K HN 0.501 nan 8.250 nan 0.000 0.489 239 L N 1.795 123.059 121.223 0.068 0.000 2.439 239 L HA 0.227 4.567 4.340 -0.000 0.000 0.261 239 L C 0.697 177.555 176.870 -0.020 0.000 1.153 239 L CA -0.567 54.280 54.840 0.012 0.000 0.808 239 L CB 0.288 42.329 42.059 -0.030 0.000 1.126 239 L HN 0.708 nan 8.230 nan 0.000 0.460 240 N N 0.245 118.899 118.700 -0.077 0.000 2.740 240 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 240 N C -0.628 174.827 175.510 -0.091 0.000 1.062 240 N CA 0.872 53.828 53.050 -0.156 0.000 0.704 240 N CB -1.087 37.324 38.487 -0.127 0.000 0.968 240 N HN 0.709 nan 8.380 nan 0.000 0.547 241 T N 0.473 115.026 114.554 -0.002 0.000 2.848 241 T HA 0.348 4.698 4.350 -0.000 0.000 0.285 241 T C 0.195 175.020 174.700 0.208 0.000 0.995 241 T CA -0.696 61.453 62.100 0.081 0.000 0.970 241 T CB 2.846 71.766 68.868 0.086 0.000 0.976 241 T HN 0.119 nan 8.240 nan 0.000 0.441 242 K N 2.733 123.279 120.400 0.242 0.000 2.213 242 K HA 0.551 4.871 4.320 -0.000 0.000 0.270 242 K C -0.841 175.890 176.600 0.219 0.000 1.002 242 K CA -0.607 55.874 56.287 0.324 0.000 0.868 242 K CB 0.957 33.665 32.500 0.346 0.000 1.093 242 K HN 0.351 nan 8.250 nan 0.000 0.454 243 V N 4.832 124.893 119.914 0.245 0.000 2.389 243 V HA -0.000 4.120 4.120 -0.000 0.000 0.264 243 V C 1.512 177.747 176.094 0.235 0.000 1.049 243 V CA -0.030 62.391 62.300 0.202 0.000 0.932 243 V CB 0.776 32.719 31.823 0.201 0.000 1.011 243 V HN 1.065 nan 8.190 nan 0.000 0.475 244 T N 1.774 116.407 114.554 0.131 0.000 2.942 244 T HA 0.314 4.664 4.350 -0.000 0.000 0.265 244 T C 0.820 175.560 174.700 0.066 0.000 1.062 244 T CA 0.721 62.892 62.100 0.119 0.000 1.139 244 T CB 0.246 69.158 68.868 0.073 0.000 0.883 244 T HN 1.073 nan 8.240 nan 0.000 0.468 245 G N -0.286 108.490 108.800 -0.041 0.000 2.320 245 G HA2 0.601 4.561 3.960 -0.000 0.000 0.296 245 G HA3 0.601 4.561 3.960 -0.000 0.000 0.296 245 G C -2.044 172.755 174.900 -0.167 0.000 1.306 245 G CA -0.468 44.545 45.100 -0.146 0.000 0.836 245 G HN 0.858 nan 8.290 nan 0.000 0.517 246 A N -0.673 122.042 122.820 -0.175 0.000 2.566 246 A HA 0.980 5.300 4.320 -0.000 0.000 0.297 246 A C -0.365 177.157 177.584 -0.104 0.000 1.059 246 A CA 0.290 52.243 52.037 -0.139 0.000 0.691 246 A CB 1.678 20.571 19.000 -0.178 0.000 1.282 246 A HN 2.245 nan 8.150 nan 0.000 0.401 247 T N -0.756 113.752 114.554 -0.076 0.000 2.886 247 T HA 0.651 5.001 4.350 -0.000 0.000 0.292 247 T C -0.682 173.986 174.700 -0.054 0.000 1.012 247 T CA -0.756 61.308 62.100 -0.059 0.000 0.982 247 T CB 1.659 70.501 68.868 -0.044 0.000 1.018 247 T HN 0.723 nan 8.240 nan 0.000 0.451 248 K N 2.191 122.560 120.400 -0.050 0.000 2.205 248 K HA 0.373 4.693 4.320 -0.000 0.000 0.279 248 K C -0.299 176.278 176.600 -0.039 0.000 1.027 248 K CA -0.651 55.608 56.287 -0.047 0.000 0.932 248 K CB 0.684 33.156 32.500 -0.047 0.000 1.032 248 K HN 0.612 nan 8.250 nan 0.000 0.466 249 K N 0.862 121.240 120.400 -0.037 0.000 2.139 249 K HA 0.095 4.415 4.320 -0.000 0.000 0.243 249 K C 1.249 177.832 176.600 -0.029 0.000 0.983 249 K CA -0.391 55.877 56.287 -0.031 0.000 0.890 249 K CB 1.379 33.861 32.500 -0.030 0.000 1.090 249 K HN 0.710 nan 8.250 nan 0.000 0.445 250 S N 0.210 115.895 115.700 -0.025 0.000 2.465 250 S HA -0.169 4.301 4.470 -0.000 0.000 0.241 250 S C 1.043 175.628 174.600 -0.024 0.000 1.000 250 S CA 1.663 59.850 58.200 -0.023 0.000 0.964 250 S CB -0.388 62.801 63.200 -0.019 0.000 0.763 250 S HN 0.764 nan 8.310 nan 0.000 0.512 251 D N -0.112 120.273 120.400 -0.025 0.000 2.328 251 D HA 0.253 4.893 4.640 -0.000 0.000 0.221 251 D C 1.444 177.726 176.300 -0.031 0.000 1.072 251 D CA 0.599 54.584 54.000 -0.026 0.000 0.850 251 D CB -0.400 40.385 40.800 -0.025 0.000 0.922 251 D HN 0.576 nan 8.370 nan 0.000 0.516 252 G N 0.297 109.076 108.800 -0.034 0.000 2.268 252 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.240 252 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.240 252 G C 0.421 175.293 174.900 -0.047 0.000 1.010 252 G CA -0.009 45.066 45.100 -0.041 0.000 0.618 252 G HN 0.322 nan 8.290 nan 0.000 0.516 253 K N 0.493 120.867 120.400 -0.043 0.000 2.276 253 K HA 0.550 4.870 4.320 -0.000 0.000 0.259 253 K C 0.479 177.049 176.600 -0.049 0.000 1.001 253 K CA 0.074 56.333 56.287 -0.047 0.000 0.927 253 K CB 0.728 33.203 32.500 -0.040 0.000 0.969 253 K HN 0.431 nan 8.250 nan 0.000 0.490 254 I N 1.396 121.933 120.570 -0.054 0.000 2.436 254 I HA 0.137 4.307 4.170 -0.000 0.000 0.289 254 I C -0.578 175.507 176.117 -0.053 0.000 1.010 254 I CA -0.800 60.466 61.300 -0.058 0.000 1.098 254 I CB 1.954 39.913 38.000 -0.069 0.000 1.266 254 I HN 0.297 nan 8.210 nan 0.000 0.434 255 D N 5.227 125.597 120.400 -0.051 0.000 2.303 255 D HA 0.438 5.078 4.640 -0.000 0.000 0.236 255 D C -0.783 175.486 176.300 -0.052 0.000 1.068 255 D CA -0.027 53.946 54.000 -0.044 0.000 0.830 255 D CB 2.191 42.970 40.800 -0.035 0.000 1.109 255 D HN 0.044 nan 8.370 nan 0.000 0.496 256 V N 2.563 122.449 119.914 -0.046 0.000 2.384 256 V HA 0.363 4.483 4.120 -0.000 0.000 0.287 256 V C 0.110 176.187 176.094 -0.029 0.000 1.020 256 V CA -0.710 61.559 62.300 -0.052 0.000 0.850 256 V CB 1.576 33.371 31.823 -0.048 0.000 0.987 256 V HN 0.472 nan 8.190 nan 0.000 0.436 257 S N 6.407 122.089 115.700 -0.030 0.000 2.499 257 S HA 0.761 5.231 4.470 -0.000 0.000 0.279 257 S C -0.194 174.417 174.600 0.019 0.000 1.219 257 S CA -0.390 57.807 58.200 -0.005 0.000 1.062 257 S CB 0.817 64.014 63.200 -0.005 0.000 0.978 257 S HN 0.727 nan 8.310 nan 0.000 0.489 258 I N -0.299 120.291 120.570 0.033 0.000 2.865 258 I HA 0.749 4.919 4.170 -0.000 0.000 0.302 258 I C -0.852 175.300 176.117 0.059 0.000 1.140 258 I CA -0.846 60.489 61.300 0.059 0.000 1.021 258 I CB 2.224 40.260 38.000 0.061 0.000 1.233 258 I HN 0.437 nan 8.210 nan 0.000 0.427 259 E N 2.364 122.611 120.200 0.078 0.000 2.433 259 E HA 0.711 5.061 4.350 -0.000 0.000 0.273 259 E C -0.994 175.648 176.600 0.071 0.000 0.950 259 E CA -1.371 55.070 56.400 0.068 0.000 0.796 259 E CB 2.283 32.027 29.700 0.074 0.000 1.330 259 E HN 0.851 nan 8.360 nan 0.000 0.455 260 A N 0.533 123.382 122.820 0.049 0.000 2.386 260 A HA 0.467 4.787 4.320 -0.000 0.000 0.248 260 A C 1.012 178.618 177.584 0.037 0.000 1.082 260 A CA 0.586 52.640 52.037 0.028 0.000 0.789 260 A CB 0.521 19.527 19.000 0.010 0.000 1.025 260 A HN 0.742 nan 8.150 nan 0.000 0.490 261 A N 1.444 124.250 122.820 -0.023 0.000 1.883 261 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 261 A C 2.081 179.668 177.584 0.006 0.000 1.186 261 A CA 2.302 54.305 52.037 -0.058 0.000 0.624 261 A CB -1.074 17.628 19.000 -0.497 0.000 0.822 261 A HN 1.785 nan 8.150 nan 0.000 0.444 262 S N -0.573 115.107 115.700 -0.033 0.000 2.906 262 S HA 0.421 4.891 4.470 -0.000 0.000 0.234 262 S C 0.905 175.519 174.600 0.023 0.000 0.973 262 S CA 0.519 58.717 58.200 -0.003 0.000 1.036 262 S CB -1.528 61.659 63.200 -0.022 0.000 0.798 262 S HN 2.073 nan 8.310 nan 0.000 0.498 263 G N -0.548 108.279 108.800 0.043 0.000 2.728 263 G HA2 0.409 4.369 3.960 -0.000 0.000 0.686 263 G HA3 0.409 4.369 3.960 -0.000 0.000 0.686 263 G C 0.299 175.218 174.900 0.032 0.000 1.337 263 G CA -0.560 44.567 45.100 0.045 0.000 0.861 263 G HN 2.065 nan 8.290 nan 0.000 0.597 264 G N 0.548 109.368 108.800 0.033 0.000 2.627 264 G HA2 0.329 4.289 3.960 -0.000 0.000 0.214 264 G HA3 0.329 4.289 3.960 -0.000 0.000 0.214 264 G C 0.492 175.408 174.900 0.027 0.000 1.331 264 G CA 0.888 46.004 45.100 0.026 0.000 0.891 264 G HN 2.324 nan 8.290 nan 0.000 0.539 265 K N -1.532 118.881 120.400 0.021 0.000 3.016 265 K HA -0.059 4.261 4.320 -0.000 0.000 0.262 265 K C 0.864 177.479 176.600 0.025 0.000 1.043 265 K CA 1.386 57.686 56.287 0.021 0.000 0.761 265 K CB -1.557 30.955 32.500 0.020 0.000 1.230 265 K HN 2.329 nan 8.250 nan 0.000 0.485 266 A N 1.592 124.427 122.820 0.024 0.000 2.540 266 A HA 0.056 4.376 4.320 -0.000 0.000 0.264 266 A C 0.134 177.730 177.584 0.021 0.000 1.080 266 A CA 0.741 52.794 52.037 0.025 0.000 0.776 266 A CB 0.035 19.048 19.000 0.022 0.000 1.011 266 A HN 0.485 nan 8.150 nan 0.000 0.514 267 E N 0.805 121.019 120.200 0.022 0.000 2.404 267 E HA 0.743 5.093 4.350 -0.000 0.000 0.264 267 E C -1.344 175.264 176.600 0.013 0.000 0.946 267 E CA -0.965 55.445 56.400 0.017 0.000 0.806 267 E CB 2.262 31.974 29.700 0.019 0.000 1.334 267 E HN 0.364 nan 8.360 nan 0.000 0.429 268 V N 1.620 121.539 119.914 0.007 0.000 2.733 268 V HA 0.418 4.538 4.120 -0.000 0.000 0.306 268 V C -0.938 175.154 176.094 -0.004 0.000 1.084 268 V CA -0.586 61.714 62.300 0.000 0.000 0.905 268 V CB 1.684 33.504 31.823 -0.005 0.000 1.010 268 V HN 0.489 nan 8.190 nan 0.000 0.424 269 I N 2.804 123.369 120.570 -0.009 0.000 2.530 269 I HA 0.603 4.773 4.170 -0.000 0.000 0.297 269 I C -0.186 175.916 176.117 -0.025 0.000 1.011 269 I CA -0.362 60.930 61.300 -0.014 0.000 1.107 269 I CB 2.492 40.486 38.000 -0.011 0.000 1.285 269 I HN 0.511 nan 8.210 nan 0.000 0.436 270 T N 4.424 118.961 114.554 -0.028 0.000 2.807 270 T HA 0.574 4.924 4.350 -0.000 0.000 0.279 270 T C -0.514 174.161 174.700 -0.043 0.000 0.993 270 T CA -0.533 61.546 62.100 -0.035 0.000 0.970 270 T CB 1.173 70.022 68.868 -0.031 0.000 0.950 270 T HN 0.821 nan 8.240 nan 0.000 0.441 271 C N 0.987 120.255 119.300 -0.053 0.000 3.236 271 C HA 0.642 5.102 4.460 -0.000 0.000 0.312 271 C C 0.641 175.586 174.990 -0.074 0.000 1.374 271 C CA -0.820 58.159 59.018 -0.065 0.000 1.455 271 C CB 1.267 28.965 27.740 -0.071 0.000 1.834 271 C HN 0.786 nan 8.230 nan 0.000 0.460 272 D N -0.024 120.322 120.400 -0.090 0.000 2.327 272 D HA 0.161 4.801 4.640 -0.000 0.000 0.205 272 D C 0.133 176.362 176.300 -0.119 0.000 0.989 272 D CA 1.178 55.119 54.000 -0.098 0.000 0.873 272 D CB 0.843 41.581 40.800 -0.104 0.000 0.955 272 D HN 0.419 nan 8.370 nan 0.000 0.515 273 V N 1.535 121.369 119.914 -0.134 0.000 2.760 273 V HA 0.283 4.403 4.120 -0.000 0.000 0.309 273 V C -1.085 174.935 176.094 -0.124 0.000 1.077 273 V CA -0.904 61.306 62.300 -0.151 0.000 0.910 273 V CB 2.974 34.660 31.823 -0.229 0.000 1.008 273 V HN -0.096 nan 8.190 nan 0.000 0.424 274 L N 5.553 126.713 121.223 -0.104 0.000 2.325 274 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 274 L C -0.972 175.861 176.870 -0.062 0.000 1.004 274 L CA -0.407 54.386 54.840 -0.079 0.000 0.823 274 L CB 1.507 43.518 42.059 -0.080 0.000 1.236 274 L HN 0.643 nan 8.230 nan 0.000 0.415 275 L N 6.878 128.081 121.223 -0.033 0.000 2.276 275 L HA 0.546 4.886 4.340 -0.000 0.000 0.286 275 L C -1.054 175.842 176.870 0.044 0.000 1.024 275 L CA -0.230 54.613 54.840 0.004 0.000 0.826 275 L CB 1.393 43.467 42.059 0.025 0.000 1.211 275 L HN 0.370 nan 8.230 nan 0.000 0.422 276 V N 5.338 125.284 119.914 0.053 0.000 2.368 276 V HA 0.231 4.351 4.120 -0.000 0.000 0.266 276 V C 0.246 176.409 176.094 0.115 0.000 1.045 276 V CA -0.247 62.114 62.300 0.102 0.000 0.899 276 V CB 0.799 32.687 31.823 0.107 0.000 1.006 276 V HN 0.931 nan 8.190 nan 0.000 0.470 277 C N 6.749 126.130 119.300 0.135 0.000 3.359 277 C HA 0.404 4.864 4.460 -0.000 0.000 0.194 277 C C 1.242 176.303 174.990 0.119 0.000 1.659 277 C CA -0.512 58.579 59.018 0.122 0.000 1.338 277 C CB -0.885 26.936 27.740 0.134 0.000 2.109 277 C HN 0.892 nan 8.230 nan 0.000 0.518 278 I N -0.042 120.591 120.570 0.104 0.000 3.891 278 I HA 0.569 4.739 4.170 -0.000 0.000 0.331 278 I C 0.757 176.894 176.117 0.033 0.000 1.406 278 I CA 0.410 61.746 61.300 0.060 0.000 1.139 278 I CB -0.409 37.593 38.000 0.003 0.000 1.056 278 I HN 0.463 nan 8.210 nan 0.000 0.399 279 G N 1.299 110.131 108.800 0.053 0.000 2.371 279 G HA2 0.065 4.025 3.960 -0.000 0.000 0.663 279 G HA3 0.065 4.025 3.960 -0.000 0.000 0.663 279 G C -1.181 173.744 174.900 0.042 0.000 1.311 279 G CA -1.106 44.020 45.100 0.043 0.000 0.985 279 G HN 0.354 nan 8.290 nan 0.000 0.566 280 R N -0.419 120.103 120.500 0.037 0.000 2.795 280 R HA 0.778 5.118 4.340 -0.000 0.000 0.275 280 R C 0.144 176.465 176.300 0.036 0.000 0.981 280 R CA -0.991 55.132 56.100 0.038 0.000 0.917 280 R CB 2.373 32.694 30.300 0.036 0.000 1.202 280 R HN 0.906 nan 8.270 nan 0.000 0.469 281 R N 0.373 120.903 120.500 0.049 0.000 2.808 281 R HA 0.578 4.918 4.340 -0.000 0.000 0.272 281 R C -3.007 173.342 176.300 0.081 0.000 0.995 281 R CA -2.362 53.769 56.100 0.052 0.000 0.917 281 R CB 1.383 31.711 30.300 0.047 0.000 1.217 281 R HN 0.229 nan 8.270 nan 0.000 0.471 282 P HA -0.004 nan 4.420 nan 0.000 0.267 282 P C -1.341 176.051 177.300 0.153 0.000 1.200 282 P CA 0.002 63.156 63.100 0.091 0.000 0.772 282 P CB 0.242 31.969 31.700 0.046 0.000 0.855 283 F N 2.713 122.667 119.950 0.008 0.000 2.427 283 F HA 0.427 4.954 4.527 -0.000 0.000 0.348 283 F C 0.399 176.207 175.800 0.014 0.000 1.125 283 F CA -0.048 57.961 58.000 0.014 0.000 0.989 283 F CB 1.069 40.074 39.000 0.009 0.000 1.165 283 F HN 0.301 nan 8.300 nan 0.000 0.442 284 T N 1.038 115.290 114.554 -0.503 0.000 3.328 284 T HA 0.167 4.517 4.350 -0.000 0.000 0.305 284 T C 0.221 174.675 174.700 -0.410 0.000 0.939 284 T CA -0.565 61.333 62.100 -0.338 0.000 0.950 284 T CB -0.311 68.469 68.868 -0.145 0.000 1.182 284 T HN 0.488 nan 8.240 nan 0.000 0.545 285 K N 2.822 122.757 120.400 -0.776 0.000 2.437 285 K HA -0.005 4.315 4.320 -0.000 0.000 0.277 285 K C -0.152 176.394 176.600 -0.090 0.000 1.073 285 K CA 0.267 56.303 56.287 -0.419 0.000 1.105 285 K CB -0.055 32.166 32.500 -0.464 0.000 0.881 285 K HN 0.267 nan 8.250 nan 0.000 0.475 286 N N 2.753 121.431 118.700 -0.035 0.000 2.725 286 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 286 N C 0.105 175.688 175.510 0.122 0.000 1.031 286 N CA 0.584 53.657 53.050 0.039 0.000 0.720 286 N CB -0.912 37.583 38.487 0.013 0.000 0.930 286 N HN 0.503 nan 8.380 nan 0.000 0.543 287 L N -0.812 120.440 121.223 0.049 0.000 2.416 287 L HA 0.296 4.636 4.340 -0.000 0.000 0.216 287 L C 1.655 178.548 176.870 0.038 0.000 1.098 287 L CA 1.883 56.755 54.840 0.054 0.000 0.840 287 L CB 0.016 42.074 42.059 -0.002 0.000 0.981 287 L HN 0.547 nan 8.230 nan 0.000 0.462 288 G N -1.383 107.429 108.800 0.019 0.000 2.179 288 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 288 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 288 G C 0.957 175.857 174.900 -0.000 0.000 0.990 288 G CA 0.361 45.468 45.100 0.012 0.000 0.646 288 G HN 0.303 nan 8.290 nan 0.000 0.517 289 L N 0.078 121.297 121.223 -0.008 0.000 2.131 289 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 289 L C 2.728 179.589 176.870 -0.015 0.000 1.092 289 L CA 1.945 56.778 54.840 -0.013 0.000 0.759 289 L CB -0.481 41.566 42.059 -0.020 0.000 0.903 289 L HN 0.283 nan 8.230 nan 0.000 0.435 290 E N 0.279 120.469 120.200 -0.017 0.000 2.070 290 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 290 E C 2.134 178.727 176.600 -0.012 0.000 1.004 290 E CA 1.347 57.737 56.400 -0.016 0.000 0.805 290 E CB -0.173 29.516 29.700 -0.018 0.000 0.744 290 E HN 0.449 nan 8.360 nan 0.000 0.451 291 E N 0.762 120.957 120.200 -0.008 0.000 2.015 291 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 291 E C 2.423 179.019 176.600 -0.006 0.000 0.991 291 E CA 0.693 57.090 56.400 -0.006 0.000 0.802 291 E CB -0.703 28.996 29.700 -0.001 0.000 0.759 291 E HN 0.254 nan 8.360 nan 0.000 0.447 292 L N 0.011 121.230 121.223 -0.006 0.000 2.103 292 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 292 L C 1.483 178.346 176.870 -0.011 0.000 1.080 292 L CA 1.585 56.420 54.840 -0.008 0.000 0.764 292 L CB -0.557 41.497 42.059 -0.008 0.000 0.890 292 L HN 0.471 nan 8.230 nan 0.000 0.435 293 G N -0.321 108.471 108.800 -0.013 0.000 2.151 293 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.156 293 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.156 293 G C -0.050 174.839 174.900 -0.018 0.000 1.017 293 G CA -0.498 44.593 45.100 -0.015 0.000 0.686 293 G HN 0.222 nan 8.290 nan 0.000 0.503 294 I N 2.342 122.901 120.570 -0.018 0.000 2.310 294 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 294 I C 0.735 176.841 176.117 -0.019 0.000 1.073 294 I CA -0.610 60.678 61.300 -0.020 0.000 1.216 294 I CB 0.615 38.604 38.000 -0.019 0.000 1.415 294 I HN 0.404 nan 8.210 nan 0.000 0.480 295 E N 7.397 127.585 120.200 -0.019 0.000 2.289 295 E HA 0.452 4.802 4.350 -0.000 0.000 0.278 295 E C -0.793 175.796 176.600 -0.018 0.000 1.032 295 E CA -0.654 55.735 56.400 -0.018 0.000 0.854 295 E CB 1.389 31.079 29.700 -0.017 0.000 1.046 295 E HN 0.455 nan 8.360 nan 0.000 0.409 296 L N 2.017 123.229 121.223 -0.019 0.000 2.479 296 L HA 0.207 4.547 4.340 -0.000 0.000 0.249 296 L C 0.645 177.505 176.870 -0.016 0.000 1.178 296 L CA -0.870 53.960 54.840 -0.017 0.000 0.811 296 L CB 0.179 42.227 42.059 -0.019 0.000 1.187 296 L HN 0.709 nan 8.230 nan 0.000 0.480 297 D N -0.877 119.514 120.400 -0.014 0.000 2.423 297 D HA 0.215 4.855 4.640 -0.000 0.000 0.255 297 D C -2.073 174.219 176.300 -0.013 0.000 1.174 297 D CA -2.043 51.949 54.000 -0.014 0.000 1.008 297 D CB 0.076 40.868 40.800 -0.014 0.000 1.101 297 D HN 0.131 nan 8.370 nan 0.000 0.516 298 P HA -0.126 nan 4.420 nan 0.000 0.217 298 P C 0.836 178.128 177.300 -0.013 0.000 1.151 298 P CA 1.424 64.516 63.100 -0.012 0.000 0.849 298 P CB 0.105 31.797 31.700 -0.012 0.000 0.787 299 R N -1.539 118.954 120.500 -0.012 0.000 2.325 299 R HA 0.233 4.573 4.340 -0.000 0.000 0.214 299 R C 1.170 177.466 176.300 -0.006 0.000 0.961 299 R CA 0.611 56.705 56.100 -0.010 0.000 1.086 299 R CB -0.646 29.648 30.300 -0.010 0.000 1.037 299 R HN 0.174 nan 8.270 nan 0.000 0.493 300 G N 1.505 110.300 108.800 -0.009 0.000 2.143 300 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.248 300 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.248 300 G C -0.060 174.836 174.900 -0.006 0.000 0.991 300 G CA -0.008 45.086 45.100 -0.009 0.000 0.689 300 G HN 0.307 nan 8.290 nan 0.000 0.522 301 R N -0.619 119.878 120.500 -0.005 0.000 2.536 301 R HA 0.642 4.982 4.340 -0.000 0.000 0.279 301 R C 0.626 176.924 176.300 -0.002 0.000 1.001 301 R CA -0.862 55.238 56.100 -0.000 0.000 1.027 301 R CB 1.133 31.431 30.300 -0.003 0.000 1.096 301 R HN 0.243 nan 8.270 nan 0.000 0.502 302 I N 3.725 124.300 120.570 0.007 0.000 2.379 302 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 302 I C -1.973 174.147 176.117 0.005 0.000 1.063 302 I CA -2.039 59.266 61.300 0.007 0.000 1.351 302 I CB 0.915 38.927 38.000 0.021 0.000 1.410 302 I HN 0.203 nan 8.210 nan 0.000 0.505 303 P HA 0.099 nan 4.420 nan 0.000 0.271 303 P C -0.783 176.501 177.300 -0.026 0.000 1.220 303 P CA -0.015 63.073 63.100 -0.020 0.000 0.768 303 P CB 0.753 32.438 31.700 -0.025 0.000 0.848 304 V N 0.289 120.178 119.914 -0.042 0.000 3.078 304 V HA 0.686 4.806 4.120 -0.000 0.000 0.311 304 V C -0.303 175.720 176.094 -0.118 0.000 1.138 304 V CA -1.112 61.148 62.300 -0.067 0.000 1.007 304 V CB 2.164 33.962 31.823 -0.041 0.000 1.045 304 V HN 0.514 nan 8.190 nan 0.000 0.432 305 N N 0.232 118.853 118.700 -0.131 0.000 2.495 305 N HA 0.235 4.975 4.740 -0.000 0.000 0.294 305 N C 1.256 176.630 175.510 -0.227 0.000 1.276 305 N CA 0.278 53.247 53.050 -0.136 0.000 0.973 305 N CB 0.223 38.656 38.487 -0.090 0.000 1.143 305 N HN 1.012 nan 8.380 nan 0.000 0.589 306 T N -2.443 112.009 114.554 -0.171 0.000 2.977 306 T HA -0.055 4.295 4.350 -0.000 0.000 0.271 306 T C 1.064 175.650 174.700 -0.191 0.000 1.105 306 T CA 0.921 62.899 62.100 -0.202 0.000 1.116 306 T CB -0.254 68.559 68.868 -0.092 0.000 0.878 306 T HN 0.550 nan 8.240 nan 0.000 0.509 307 R N -0.713 119.744 120.500 -0.072 0.000 2.362 307 R HA 0.375 4.715 4.340 -0.000 0.000 0.227 307 R C -0.169 176.336 176.300 0.341 0.000 0.905 307 R CA -0.128 56.058 56.100 0.142 0.000 1.067 307 R CB -0.061 30.349 30.300 0.183 0.000 1.078 307 R HN 0.372 nan 8.270 nan 0.000 0.516 308 F N 0.111 120.143 119.950 0.137 0.000 2.737 308 F HA -0.248 4.279 4.527 -0.000 0.000 0.288 308 F C -0.090 175.799 175.800 0.149 0.000 0.708 308 F CA 0.455 58.554 58.000 0.165 0.000 1.483 308 F CB -1.829 37.289 39.000 0.195 0.000 1.745 308 F HN 0.123 nan 8.300 nan 0.000 0.354 309 Q N 0.197 120.013 119.800 0.026 0.000 2.235 309 Q HA 0.535 4.875 4.340 -0.000 0.000 0.250 309 Q C 0.953 176.852 176.000 -0.168 0.000 0.909 309 Q CA 0.147 55.780 55.803 -0.283 0.000 0.910 309 Q CB 1.807 30.351 28.738 -0.323 0.000 1.223 309 Q HN 0.369 nan 8.270 nan 0.000 0.432 310 T N -1.762 112.677 114.554 -0.192 0.000 2.994 310 T HA 0.179 4.529 4.350 -0.000 0.000 0.322 310 T C 1.060 175.697 174.700 -0.105 0.000 1.199 310 T CA -0.404 61.632 62.100 -0.106 0.000 0.945 310 T CB 0.470 69.293 68.868 -0.075 0.000 1.754 310 T HN 0.578 nan 8.240 nan 0.000 0.571 311 K N -0.588 119.768 120.400 -0.073 0.000 2.147 311 K HA 0.121 4.441 4.320 -0.000 0.000 0.205 311 K C 0.425 176.982 176.600 -0.072 0.000 1.049 311 K CA 0.806 57.056 56.287 -0.062 0.000 0.936 311 K CB -0.396 32.078 32.500 -0.044 0.000 0.722 311 K HN 0.557 nan 8.250 nan 0.000 0.446 312 I N 2.056 122.576 120.570 -0.082 0.000 2.301 312 I HA 0.101 4.271 4.170 -0.000 0.000 0.292 312 I C -1.923 174.110 176.117 -0.140 0.000 1.046 312 I CA -2.151 59.099 61.300 -0.084 0.000 1.282 312 I CB 1.402 39.365 38.000 -0.061 0.000 1.409 312 I HN -0.080 nan 8.210 nan 0.000 0.484 313 P HA -0.215 nan 4.420 nan 0.000 0.218 313 P C 0.734 177.892 177.300 -0.237 0.000 1.147 313 P CA 1.350 64.346 63.100 -0.173 0.000 0.827 313 P CB -0.051 31.601 31.700 -0.081 0.000 0.778 314 N N -1.359 117.258 118.700 -0.138 0.000 2.230 314 N HA 0.038 4.778 4.740 -0.000 0.000 0.202 314 N C 0.007 175.508 175.510 -0.014 0.000 1.119 314 N CA 0.123 53.156 53.050 -0.027 0.000 0.851 314 N CB 0.140 38.650 38.487 0.039 0.000 0.990 314 N HN 0.184 nan 8.380 nan 0.000 0.497 315 I N 1.525 121.981 120.570 -0.189 0.000 2.382 315 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 315 I C -0.973 175.024 176.117 -0.200 0.000 1.002 315 I CA -0.875 60.383 61.300 -0.070 0.000 1.135 315 I CB 0.786 38.761 38.000 -0.041 0.000 1.288 315 I HN -0.163 nan 8.210 nan 0.000 0.448 316 Y N 4.327 124.638 120.300 0.018 0.000 2.587 316 Y HA 0.812 5.362 4.550 -0.000 0.000 0.337 316 Y C 0.213 176.147 175.900 0.056 0.000 1.065 316 Y CA -1.243 56.890 58.100 0.054 0.000 1.126 316 Y CB 1.839 40.335 38.460 0.060 0.000 1.279 316 Y HN 0.532 nan 8.280 nan 0.000 0.489 317 A N 2.304 125.285 122.820 0.269 0.000 2.408 317 A HA 0.833 5.153 4.320 -0.000 0.000 0.295 317 A C -1.164 176.561 177.584 0.234 0.000 1.040 317 A CA -0.553 51.594 52.037 0.184 0.000 0.707 317 A CB 0.642 19.717 19.000 0.126 0.000 1.235 317 A HN 0.775 nan 8.150 nan 0.000 0.418 318 I N -0.654 119.980 120.570 0.107 0.000 3.145 318 I HA 0.976 5.146 4.170 -0.000 0.000 0.313 318 I C 0.562 176.685 176.117 0.011 0.000 1.122 318 I CA -0.195 61.118 61.300 0.021 0.000 0.987 318 I CB 2.004 39.879 38.000 -0.209 0.000 1.236 318 I HN 1.929 nan 8.210 nan 0.000 0.453 319 G N 2.423 111.216 108.800 -0.012 0.000 2.553 319 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 319 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 319 G C 0.088 174.989 174.900 0.002 0.000 1.277 319 G CA 0.558 45.648 45.100 -0.016 0.000 0.910 319 G HN 0.847 nan 8.290 nan 0.000 0.576 320 D N -0.636 119.762 120.400 -0.003 0.000 2.315 320 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 320 D C 2.331 178.645 176.300 0.024 0.000 0.977 320 D CA 1.248 55.251 54.000 0.004 0.000 0.894 320 D CB -0.056 40.751 40.800 0.011 0.000 0.910 320 D HN 0.400 nan 8.370 nan 0.000 0.490 321 V N 0.099 120.037 119.914 0.039 0.000 3.306 321 V HA -0.026 4.094 4.120 -0.000 0.000 0.264 321 V C 0.859 176.978 176.094 0.041 0.000 1.149 321 V CA 0.452 62.781 62.300 0.048 0.000 1.143 321 V CB 0.158 32.016 31.823 0.058 0.000 0.767 321 V HN 0.034 nan 8.190 nan 0.000 0.476 322 V N -2.468 117.472 119.914 0.044 0.000 3.204 322 V HA 0.925 5.045 4.120 -0.000 0.000 0.316 322 V C 0.286 176.375 176.094 -0.008 0.000 1.160 322 V CA -0.785 61.541 62.300 0.043 0.000 1.044 322 V CB 1.104 32.998 31.823 0.118 0.000 1.136 322 V HN 0.108 nan 8.190 nan 0.000 0.455 323 A N -0.181 122.618 122.820 -0.034 0.000 2.386 323 A HA 0.741 5.061 4.320 -0.000 0.000 0.246 323 A C 0.874 178.316 177.584 -0.236 0.000 1.089 323 A CA 0.598 52.575 52.037 -0.100 0.000 0.790 323 A CB -0.569 18.379 19.000 -0.086 0.000 1.042 323 A HN 2.975 nan 8.150 nan 0.000 0.497 324 G N -0.316 108.296 108.800 -0.314 0.000 2.555 324 G HA2 0.141 4.101 3.960 -0.000 0.000 0.686 324 G HA3 0.141 4.101 3.960 -0.000 0.000 0.686 324 G C -2.921 171.801 174.900 -0.296 0.000 1.275 324 G CA -0.419 44.348 45.100 -0.556 0.000 0.871 324 G HN 0.979 nan 8.290 nan 0.000 0.603 325 P HA 0.253 nan 4.420 nan 0.000 0.267 325 P C 0.256 177.482 177.300 -0.124 0.000 1.205 325 P CA 0.093 63.121 63.100 -0.121 0.000 0.765 325 P CB 0.386 32.039 31.700 -0.078 0.000 0.828 326 M N 3.992 123.544 119.600 -0.079 0.000 3.436 326 M HA 0.214 4.694 4.480 -0.000 0.000 0.240 326 M C -0.140 176.110 176.300 -0.083 0.000 1.469 326 M CA 0.369 55.628 55.300 -0.068 0.000 1.622 326 M CB -0.669 31.914 32.600 -0.029 0.000 1.098 326 M HN 0.202 nan 8.290 nan 0.000 0.568 327 L N -0.413 120.716 121.223 -0.158 0.000 2.341 327 L HA 0.635 4.975 4.340 -0.000 0.000 0.267 327 L C 1.168 177.891 176.870 -0.245 0.000 1.009 327 L CA -0.662 54.037 54.840 -0.236 0.000 0.819 327 L CB 1.755 43.530 42.059 -0.474 0.000 1.323 327 L HN 0.504 nan 8.230 nan 0.000 0.425 328 A N 1.005 123.743 122.820 -0.136 0.000 1.865 328 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 328 A C 2.022 179.572 177.584 -0.057 0.000 1.191 328 A CA 2.040 54.052 52.037 -0.043 0.000 0.623 328 A CB -0.989 18.044 19.000 0.055 0.000 0.826 328 A HN 0.968 nan 8.150 nan 0.000 0.444 329 H N -1.107 117.957 119.070 -0.011 0.000 2.489 329 H HA -0.054 4.502 4.556 -0.000 0.000 0.293 329 H C 1.664 176.982 175.328 -0.015 0.000 1.066 329 H CA 1.454 57.490 56.048 -0.019 0.000 1.305 329 H CB -0.313 29.436 29.762 -0.021 0.000 1.386 329 H HN 0.457 nan 8.280 nan 0.000 0.551 330 K N 1.752 121.973 120.400 -0.299 0.000 2.116 330 K HA 0.063 4.383 4.320 -0.000 0.000 0.203 330 K C 2.241 178.801 176.600 -0.067 0.000 1.052 330 K CA 0.997 57.208 56.287 -0.128 0.000 0.952 330 K CB -0.207 32.192 32.500 -0.167 0.000 0.729 330 K HN 0.308 nan 8.250 nan 0.000 0.446 331 A N 1.462 124.224 122.820 -0.097 0.000 1.898 331 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 331 A C 1.971 179.489 177.584 -0.110 0.000 1.181 331 A CA 1.415 53.400 52.037 -0.086 0.000 0.620 331 A CB -0.345 18.616 19.000 -0.065 0.000 0.819 331 A HN 0.470 nan 8.150 nan 0.000 0.442 332 E N -0.181 119.964 120.200 -0.092 0.000 2.047 332 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 332 E C 1.615 178.144 176.600 -0.118 0.000 0.987 332 E CA 1.260 57.591 56.400 -0.115 0.000 0.799 332 E CB -0.248 29.399 29.700 -0.088 0.000 0.752 332 E HN 0.539 nan 8.360 nan 0.000 0.449 333 D N 0.768 121.123 120.400 -0.074 0.000 2.104 333 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 333 D C 1.756 177.973 176.300 -0.138 0.000 0.994 333 D CA 1.157 55.116 54.000 -0.068 0.000 0.830 333 D CB -0.084 40.708 40.800 -0.014 0.000 0.959 333 D HN 0.210 nan 8.370 nan 0.000 0.452 334 E N -0.181 119.896 120.200 -0.204 0.000 2.118 334 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 334 E C 2.198 178.478 176.600 -0.533 0.000 0.992 334 E CA 1.027 57.118 56.400 -0.516 0.000 0.804 334 E CB -0.248 29.073 29.700 -0.632 0.000 0.741 334 E HN 0.332 nan 8.360 nan 0.000 0.458 335 G N 1.495 110.097 108.800 -0.331 0.000 2.433 335 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 335 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 335 G C 1.620 176.390 174.900 -0.216 0.000 1.186 335 G CA 0.521 45.462 45.100 -0.264 0.000 0.779 335 G HN 0.106 nan 8.290 nan 0.000 0.543 336 I N 1.555 122.023 120.570 -0.171 0.000 2.163 336 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 336 I C 2.745 178.804 176.117 -0.097 0.000 1.085 336 I CA 1.444 62.673 61.300 -0.118 0.000 1.347 336 I CB -0.185 37.760 38.000 -0.091 0.000 1.044 336 I HN 0.360 nan 8.210 nan 0.000 0.408 337 I N -2.050 118.459 120.570 -0.101 0.000 2.830 337 I HA -0.217 3.953 4.170 -0.000 0.000 0.263 337 I C 2.651 178.748 176.117 -0.033 0.000 1.230 337 I CA 0.931 62.207 61.300 -0.040 0.000 1.480 337 I CB -0.715 37.291 38.000 0.011 0.000 1.095 337 I HN 0.308 nan 8.210 nan 0.000 0.455 338 C N 0.768 119.983 119.300 -0.142 0.000 2.486 338 C HA 0.025 4.485 4.460 -0.000 0.000 0.279 338 C C 2.783 177.666 174.990 -0.179 0.000 1.302 338 C CA 0.677 59.625 59.018 -0.117 0.000 1.720 338 C CB -0.670 26.925 27.740 -0.242 0.000 2.030 338 C HN 0.465 nan 8.230 nan 0.000 0.490 339 V N 1.114 120.916 119.914 -0.186 0.000 2.407 339 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 339 V C 2.456 178.532 176.094 -0.031 0.000 1.055 339 V CA 2.364 64.565 62.300 -0.165 0.000 1.049 339 V CB -0.723 31.029 31.823 -0.119 0.000 0.662 339 V HN 0.605 nan 8.190 nan 0.000 0.455 340 E N -0.070 120.124 120.200 -0.009 0.000 2.204 340 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 340 E C 2.234 178.865 176.600 0.050 0.000 0.990 340 E CA 1.053 57.474 56.400 0.034 0.000 0.821 340 E CB -0.330 29.383 29.700 0.021 0.000 0.750 340 E HN 0.678 nan 8.360 nan 0.000 0.477 341 G N 0.973 109.795 108.800 0.037 0.000 2.394 341 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 341 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 341 G C 1.545 176.486 174.900 0.068 0.000 1.165 341 G CA 0.261 45.404 45.100 0.071 0.000 0.784 341 G HN 0.076 nan 8.290 nan 0.000 0.535 342 M N 0.969 120.561 119.600 -0.014 0.000 2.202 342 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 342 M C 2.611 179.031 176.300 0.200 0.000 1.063 342 M CA 1.361 56.659 55.300 -0.003 0.000 1.097 342 M CB -0.079 32.360 32.600 -0.268 0.000 1.382 342 M HN 0.295 nan 8.290 nan 0.000 0.413 343 A N -0.614 122.348 122.820 0.236 0.000 2.278 343 A HA 0.416 4.736 4.320 -0.000 0.000 0.212 343 A C 1.637 179.278 177.584 0.095 0.000 1.213 343 A CA 0.753 52.915 52.037 0.208 0.000 0.840 343 A CB -0.730 18.357 19.000 0.144 0.000 0.866 343 A HN 0.668 nan 8.150 nan 0.000 0.489 344 G N -1.619 107.237 108.800 0.094 0.000 2.258 344 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.233 344 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.233 344 G C 0.961 175.893 174.900 0.054 0.000 1.006 344 G CA 0.158 45.298 45.100 0.066 0.000 0.620 344 G HN 1.443 nan 8.290 nan 0.000 0.511 345 G N 0.612 109.442 108.800 0.050 0.000 2.716 345 G HA2 0.594 4.554 3.960 -0.000 0.000 0.251 345 G HA3 0.594 4.554 3.960 -0.000 0.000 0.251 345 G C 0.694 175.626 174.900 0.054 0.000 1.224 345 G CA 0.743 45.868 45.100 0.042 0.000 0.891 345 G HN 1.610 nan 8.290 nan 0.000 0.561 346 A N -1.376 121.473 122.820 0.048 0.000 2.304 346 A HA 0.572 4.892 4.320 -0.000 0.000 0.271 346 A C -0.269 177.369 177.584 0.089 0.000 1.091 346 A CA -0.293 51.781 52.037 0.061 0.000 0.812 346 A CB 0.972 19.996 19.000 0.040 0.000 1.056 346 A HN 0.975 nan 8.150 nan 0.000 0.489 347 V N 3.440 123.426 119.914 0.121 0.000 2.407 347 V HA 0.437 4.557 4.120 -0.000 0.000 0.291 347 V C -0.415 175.798 176.094 0.199 0.000 1.018 347 V CA -0.326 62.070 62.300 0.161 0.000 0.842 347 V CB 1.097 33.035 31.823 0.192 0.000 0.996 347 V HN 0.960 nan 8.190 nan 0.000 0.426 348 H N 4.853 123.957 119.070 0.058 0.000 2.966 348 H HA 0.658 5.214 4.556 -0.000 0.000 0.347 348 H C -2.083 173.236 175.328 -0.015 0.000 1.048 348 H CA -0.493 55.561 56.048 0.011 0.000 1.295 348 H CB 2.413 32.168 29.762 -0.012 0.000 1.744 348 H HN 0.640 nan 8.280 nan 0.000 0.513 349 I N 4.423 124.728 120.570 -0.441 0.000 2.656 349 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 349 I C -1.543 174.159 176.117 -0.691 0.000 1.144 349 I CA -0.300 60.749 61.300 -0.419 0.000 1.038 349 I CB 1.957 39.798 38.000 -0.265 0.000 1.244 349 I HN 0.522 nan 8.210 nan 0.000 0.420 350 D N 5.917 126.014 120.400 -0.505 0.000 2.461 350 D HA 0.213 4.853 4.640 -0.000 0.000 0.240 350 D C 0.012 176.126 176.300 -0.311 0.000 1.094 350 D CA -0.145 53.621 54.000 -0.391 0.000 0.868 350 D CB 0.617 41.324 40.800 -0.156 0.000 1.062 350 D HN 0.437 nan 8.370 nan 0.000 0.530 351 Y N 2.030 122.320 120.300 -0.017 0.000 2.716 351 Y HA -0.081 4.469 4.550 -0.000 0.000 0.302 351 Y C 1.992 177.901 175.900 0.014 0.000 1.160 351 Y CA 0.445 58.547 58.100 0.003 0.000 1.362 351 Y CB -0.531 37.933 38.460 0.007 0.000 0.988 351 Y HN 0.379 nan 8.280 nan 0.000 0.546 352 N N -1.073 117.678 118.700 0.086 0.000 2.416 352 N HA -0.072 4.668 4.740 -0.000 0.000 0.177 352 N C 0.952 176.495 175.510 0.055 0.000 1.036 352 N CA 0.880 53.977 53.050 0.079 0.000 0.901 352 N CB -0.131 38.388 38.487 0.053 0.000 0.976 352 N HN 0.190 nan 8.380 nan 0.000 0.444 353 C N -0.329 118.988 119.300 0.028 0.000 2.791 353 C HA 0.365 4.825 4.460 -0.000 0.000 0.270 353 C C 0.783 175.784 174.990 0.019 0.000 1.257 353 C CA -0.823 58.202 59.018 0.011 0.000 1.699 353 C CB -1.059 26.672 27.740 -0.014 0.000 1.904 353 C HN 0.219 nan 8.230 nan 0.000 0.603 354 V N 4.924 124.873 119.914 0.059 0.000 2.408 354 V HA 0.377 4.497 4.120 -0.000 0.000 0.267 354 V C -1.955 174.165 176.094 0.044 0.000 1.047 354 V CA -1.496 60.862 62.300 0.096 0.000 0.937 354 V CB 0.939 32.851 31.823 0.149 0.000 0.999 354 V HN 0.205 nan 8.190 nan 0.000 0.472 355 P HA 0.337 nan 4.420 nan 0.000 0.274 355 P C -0.720 176.453 177.300 -0.212 0.000 1.256 355 P CA -0.298 62.698 63.100 -0.173 0.000 0.795 355 P CB 1.074 32.635 31.700 -0.231 0.000 1.038 356 S N -0.609 114.716 115.700 -0.625 0.000 2.538 356 S HA 0.521 4.991 4.470 -0.000 0.000 0.288 356 S C -0.684 173.458 174.600 -0.764 0.000 1.108 356 S CA -0.537 57.192 58.200 -0.785 0.000 0.971 356 S CB 1.338 63.611 63.200 -1.545 0.000 1.041 356 S HN 0.238 nan 8.310 nan 0.000 0.483 357 V N 3.783 123.429 119.914 -0.448 0.000 2.709 357 V HA 0.564 4.684 4.120 -0.000 0.000 0.308 357 V C -0.895 175.021 176.094 -0.296 0.000 1.062 357 V CA -0.618 61.402 62.300 -0.466 0.000 0.901 357 V CB 1.887 33.313 31.823 -0.662 0.000 1.003 357 V HN 0.821 nan 8.190 nan 0.000 0.425 358 I N 4.123 124.522 120.570 -0.286 0.000 2.382 358 I HA 0.331 4.501 4.170 -0.000 0.000 0.285 358 I C -0.631 175.418 176.117 -0.114 0.000 1.007 358 I CA -0.452 60.818 61.300 -0.050 0.000 1.142 358 I CB 1.513 39.491 38.000 -0.037 0.000 1.289 358 I HN 0.641 nan 8.210 nan 0.000 0.453 359 Y N 4.078 124.386 120.300 0.013 0.000 2.547 359 Y HA 0.023 4.573 4.550 -0.000 0.000 0.325 359 Y C 1.814 177.739 175.900 0.041 0.000 1.165 359 Y CA -0.505 57.594 58.100 -0.001 0.000 1.300 359 Y CB -0.836 37.617 38.460 -0.011 0.000 1.126 359 Y HN 0.555 nan 8.280 nan 0.000 0.513 360 T N -2.615 112.061 114.554 0.204 0.000 3.141 360 T HA 0.078 4.428 4.350 -0.000 0.000 0.391 360 T C -0.412 174.393 174.700 0.174 0.000 1.170 360 T CA -0.215 62.038 62.100 0.255 0.000 1.054 360 T CB 0.431 69.551 68.868 0.421 0.000 1.487 360 T HN 0.397 nan 8.240 nan 0.000 0.530 361 H N 1.090 120.235 119.070 0.125 0.000 3.277 361 H HA 0.382 4.938 4.556 -0.000 0.000 0.329 361 H C -2.770 172.637 175.328 0.132 0.000 1.034 361 H CA -1.413 54.647 56.048 0.020 0.000 1.530 361 H CB 1.252 30.944 29.762 -0.116 0.000 1.837 361 H HN 0.486 nan 8.280 nan 0.000 0.493 362 P HA 0.011 nan 4.420 nan 0.000 0.269 362 P C -0.482 176.762 177.300 -0.095 0.000 1.215 362 P CA -0.052 62.964 63.100 -0.140 0.000 0.780 362 P CB 1.599 33.288 31.700 -0.018 0.000 0.898 363 E N 0.094 120.142 120.200 -0.254 0.000 2.314 363 E HA 0.420 4.770 4.350 -0.000 0.000 0.262 363 E C -0.556 175.897 176.600 -0.244 0.000 1.093 363 E CA -0.981 55.281 56.400 -0.231 0.000 0.908 363 E CB 0.896 30.420 29.700 -0.293 0.000 1.091 363 E HN 0.192 nan 8.360 nan 0.000 0.425 364 V N 0.387 120.131 119.914 -0.284 0.000 2.638 364 V HA 0.716 4.836 4.120 -0.000 0.000 0.306 364 V C -0.711 175.318 176.094 -0.108 0.000 1.052 364 V CA -0.795 61.377 62.300 -0.214 0.000 0.885 364 V CB 1.489 33.078 31.823 -0.391 0.000 0.999 364 V HN 0.782 nan 8.190 nan 0.000 0.424 365 A N 4.141 126.972 122.820 0.018 0.000 2.520 365 A HA 1.015 5.335 4.320 -0.000 0.000 0.298 365 A C -1.593 176.081 177.584 0.149 0.000 1.051 365 A CA -0.609 51.390 52.037 -0.063 0.000 0.690 365 A CB 1.750 20.629 19.000 -0.202 0.000 1.281 365 A HN 1.665 nan 8.150 nan 0.000 0.402 366 W N 0.315 121.530 121.300 -0.141 0.000 3.146 366 W HA 0.736 5.396 4.660 -0.000 0.000 0.319 366 W C -2.121 174.297 176.519 -0.169 0.000 1.258 366 W CA -1.100 56.125 57.345 -0.201 0.000 1.189 366 W CB 1.030 30.363 29.460 -0.213 0.000 1.412 366 W HN 1.081 nan 8.180 nan 0.000 0.567 367 V N 2.870 122.763 119.914 -0.035 0.000 3.077 367 V HA 0.846 4.966 4.120 -0.000 0.000 0.299 367 V C 0.155 176.260 176.094 0.018 0.000 1.276 367 V CA 0.460 62.740 62.300 -0.034 0.000 0.993 367 V CB 1.327 33.107 31.823 -0.072 0.000 1.076 367 V HN 2.284 nan 8.190 nan 0.000 0.434 368 G N 5.362 114.207 108.800 0.076 0.000 2.512 368 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.210 368 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.210 368 G C -0.779 174.202 174.900 0.134 0.000 1.295 368 G CA -0.012 45.135 45.100 0.079 0.000 0.934 368 G HN 0.946 nan 8.290 nan 0.000 0.554 369 K N 0.452 120.924 120.400 0.121 0.000 2.118 369 K HA 0.637 4.957 4.320 -0.000 0.000 0.254 369 K C 0.694 177.414 176.600 0.201 0.000 0.961 369 K CA 0.041 56.401 56.287 0.122 0.000 0.876 369 K CB 1.664 34.185 32.500 0.035 0.000 1.077 369 K HN 0.895 nan 8.250 nan 0.000 0.440 370 S N -0.173 115.575 115.700 0.079 0.000 2.632 370 S HA 0.048 4.518 4.470 -0.000 0.000 0.267 370 S C 1.130 175.598 174.600 -0.220 0.000 1.276 370 S CA -0.548 57.581 58.200 -0.119 0.000 0.998 370 S CB 1.485 64.564 63.200 -0.202 0.000 0.953 370 S HN 0.810 nan 8.310 nan 0.000 0.547 371 E N 0.468 120.471 120.200 -0.329 0.000 2.110 371 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 371 E C 1.402 177.862 176.600 -0.233 0.000 0.988 371 E CA 1.389 57.586 56.400 -0.339 0.000 0.804 371 E CB -0.166 29.398 29.700 -0.227 0.000 0.745 371 E HN 0.760 nan 8.360 nan 0.000 0.458 372 E N 0.586 120.678 120.200 -0.180 0.000 2.110 372 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 372 E C 2.023 178.564 176.600 -0.097 0.000 0.988 372 E CA 1.271 57.598 56.400 -0.121 0.000 0.804 372 E CB -0.106 29.513 29.700 -0.134 0.000 0.745 372 E HN 0.386 nan 8.360 nan 0.000 0.458 373 Q N -0.192 119.543 119.800 -0.107 0.000 2.079 373 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 373 Q C 2.259 178.214 176.000 -0.074 0.000 0.974 373 Q CA 0.883 56.646 55.803 -0.067 0.000 0.840 373 Q CB -0.109 28.605 28.738 -0.040 0.000 0.898 373 Q HN 0.304 nan 8.270 nan 0.000 0.430 374 L N 0.551 121.683 121.223 -0.152 0.000 2.046 374 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 374 L C 2.307 179.156 176.870 -0.035 0.000 1.077 374 L CA 1.268 56.011 54.840 -0.162 0.000 0.747 374 L CB -0.352 41.415 42.059 -0.486 0.000 0.896 374 L HN 0.150 nan 8.230 nan 0.000 0.432 375 K N -0.074 120.317 120.400 -0.015 0.000 2.057 375 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 375 K C 2.055 178.676 176.600 0.036 0.000 1.049 375 K CA 1.465 57.796 56.287 0.073 0.000 0.931 375 K CB -0.053 32.489 32.500 0.070 0.000 0.714 375 K HN 0.089 nan 8.250 nan 0.000 0.440 376 E N 1.559 121.762 120.200 0.005 0.000 2.110 376 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 376 E C 1.068 177.676 176.600 0.014 0.000 0.988 376 E CA 1.561 57.964 56.400 0.006 0.000 0.804 376 E CB 0.072 29.768 29.700 -0.006 0.000 0.745 376 E HN 0.285 nan 8.360 nan 0.000 0.458 377 E N -1.138 119.071 120.200 0.014 0.000 2.502 377 E HA 0.136 4.486 4.350 -0.000 0.000 0.194 377 E C 0.735 177.356 176.600 0.034 0.000 1.062 377 E CA 0.354 56.767 56.400 0.021 0.000 0.867 377 E CB 0.134 29.844 29.700 0.017 0.000 0.888 377 E HN 0.412 nan 8.360 nan 0.000 0.510 378 G N 1.699 110.528 108.800 0.047 0.000 2.176 378 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 378 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 378 G C 0.111 175.057 174.900 0.076 0.000 1.024 378 G CA -0.190 44.944 45.100 0.057 0.000 0.755 378 G HN 0.128 nan 8.290 nan 0.000 0.507 379 I N 0.441 121.075 120.570 0.107 0.000 2.474 379 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 379 I C 0.703 176.956 176.117 0.227 0.000 1.048 379 I CA -1.173 60.209 61.300 0.137 0.000 1.383 379 I CB 1.312 39.381 38.000 0.115 0.000 1.412 379 I HN 0.327 nan 8.210 nan 0.000 0.531 380 E N 7.427 127.715 120.200 0.147 0.000 2.052 380 E HA 0.270 4.620 4.350 -0.000 0.000 0.283 380 E C -1.229 175.456 176.600 0.142 0.000 1.071 380 E CA -0.202 56.251 56.400 0.089 0.000 0.851 380 E CB 0.150 29.868 29.700 0.030 0.000 1.066 380 E HN 0.370 nan 8.360 nan 0.000 0.396 381 Y N 1.402 121.705 120.300 0.005 0.000 2.630 381 Y HA 0.683 5.233 4.550 -0.000 0.000 0.337 381 Y C -0.764 175.137 175.900 0.003 0.000 1.051 381 Y CA -1.474 56.631 58.100 0.008 0.000 1.121 381 Y CB 1.203 39.672 38.460 0.013 0.000 1.299 381 Y HN 0.125 nan 8.280 nan 0.000 0.498 382 K N 1.333 121.817 120.400 0.139 0.000 2.259 382 K HA 0.720 5.040 4.320 -0.000 0.000 0.252 382 K C -1.638 175.056 176.600 0.157 0.000 0.936 382 K CA -1.119 55.196 56.287 0.048 0.000 0.810 382 K CB 2.808 35.327 32.500 0.031 0.000 1.143 382 K HN 0.518 nan 8.250 nan 0.000 0.427 383 V N 1.181 121.153 119.914 0.097 0.000 2.459 383 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 383 V C 0.090 176.228 176.094 0.074 0.000 1.029 383 V CA -0.771 61.602 62.300 0.121 0.000 0.874 383 V CB 1.750 33.646 31.823 0.122 0.000 0.985 383 V HN 0.948 nan 8.190 nan 0.000 0.438 384 G N 3.590 112.434 108.800 0.073 0.000 2.609 384 G HA2 0.701 4.661 3.960 -0.000 0.000 0.308 384 G HA3 0.701 4.661 3.960 -0.000 0.000 0.308 384 G C -1.023 173.917 174.900 0.066 0.000 1.369 384 G CA -0.641 44.497 45.100 0.062 0.000 0.958 384 G HN 0.609 nan 8.290 nan 0.000 0.499 385 K N 1.020 121.469 120.400 0.082 0.000 2.371 385 K HA 0.591 4.911 4.320 -0.000 0.000 0.251 385 K C -1.963 174.683 176.600 0.076 0.000 0.934 385 K CA -0.772 55.547 56.287 0.054 0.000 0.798 385 K CB 2.897 35.407 32.500 0.017 0.000 1.204 385 K HN 0.383 nan 8.250 nan 0.000 0.427 386 F N 4.227 124.069 119.950 -0.179 0.000 2.585 386 F HA 0.356 4.883 4.527 -0.000 0.000 0.319 386 F C -2.601 172.953 175.800 -0.410 0.000 1.165 386 F CA -1.962 55.868 58.000 -0.284 0.000 0.949 386 F CB 1.887 40.746 39.000 -0.234 0.000 1.218 386 F HN 0.311 nan 8.300 nan 0.000 0.453 387 P HA 0.210 nan 4.420 nan 0.000 0.288 387 P C 0.311 177.295 177.300 -0.525 0.000 1.267 387 P CA -0.180 62.521 63.100 -0.664 0.000 0.815 387 P CB 1.058 32.322 31.700 -0.726 0.000 0.989 388 F N 1.802 121.686 119.950 -0.110 0.000 2.408 388 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 388 F C 2.479 178.264 175.800 -0.026 0.000 1.090 388 F CA 1.470 59.473 58.000 0.005 0.000 1.427 388 F CB -1.053 37.963 39.000 0.027 0.000 1.070 388 F HN 0.368 nan 8.300 nan 0.000 0.549 389 A N -0.434 122.405 122.820 0.031 0.000 2.121 389 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 389 A C 2.137 179.718 177.584 -0.004 0.000 1.154 389 A CA 1.353 53.399 52.037 0.016 0.000 0.679 389 A CB -0.771 18.209 19.000 -0.032 0.000 0.795 389 A HN 0.236 nan 8.150 nan 0.000 0.458 390 A N -0.764 121.992 122.820 -0.106 0.000 2.390 390 A HA 0.206 4.526 4.320 -0.000 0.000 0.232 390 A C 0.669 178.389 177.584 0.226 0.000 1.233 390 A CA -0.307 51.718 52.037 -0.019 0.000 0.907 390 A CB -0.226 18.603 19.000 -0.285 0.000 0.967 390 A HN 0.478 nan 8.150 nan 0.000 0.512 391 N N 0.131 118.990 118.700 0.266 0.000 2.472 391 N HA 0.148 4.888 4.740 -0.000 0.000 0.277 391 N C 0.517 176.164 175.510 0.228 0.000 1.081 391 N CA 0.093 53.344 53.050 0.335 0.000 0.973 391 N CB 1.227 39.949 38.487 0.392 0.000 1.105 391 N HN 0.077 nan 8.380 nan 0.000 0.470 392 S N 3.246 119.060 115.700 0.190 0.000 2.356 392 S HA -0.102 4.368 4.470 -0.000 0.000 0.223 392 S C 1.742 176.379 174.600 0.063 0.000 1.032 392 S CA 0.873 59.143 58.200 0.116 0.000 1.005 392 S CB -0.096 63.153 63.200 0.082 0.000 0.867 392 S HN 0.640 nan 8.310 nan 0.000 0.449 393 R N 0.908 121.435 120.500 0.044 0.000 2.092 393 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 393 R C 2.360 178.706 176.300 0.077 0.000 1.119 393 R CA 1.112 57.234 56.100 0.036 0.000 0.970 393 R CB -0.392 29.926 30.300 0.030 0.000 0.864 393 R HN 0.384 nan 8.270 nan 0.000 0.440 394 A N 1.209 124.109 122.820 0.133 0.000 1.865 394 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 394 A C 2.046 179.696 177.584 0.109 0.000 1.191 394 A CA 1.784 53.902 52.037 0.136 0.000 0.623 394 A CB -0.460 18.694 19.000 0.257 0.000 0.826 394 A HN 0.191 nan 8.150 nan 0.000 0.444 395 K N -0.564 119.906 120.400 0.117 0.000 2.057 395 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 395 K C 2.007 178.650 176.600 0.073 0.000 1.049 395 K CA 2.165 58.509 56.287 0.094 0.000 0.931 395 K CB -0.922 31.637 32.500 0.099 0.000 0.714 395 K HN 0.434 nan 8.250 nan 0.000 0.440 396 T N 0.981 115.574 114.554 0.065 0.000 2.788 396 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 396 T C 1.196 175.923 174.700 0.045 0.000 1.044 396 T CA 1.401 63.529 62.100 0.047 0.000 1.139 396 T CB -0.247 68.641 68.868 0.033 0.000 0.867 396 T HN 0.241 nan 8.240 nan 0.000 0.454 397 N N 0.884 119.617 118.700 0.055 0.000 2.463 397 N HA 0.246 4.986 4.740 -0.000 0.000 0.181 397 N C 0.850 176.402 175.510 0.070 0.000 1.078 397 N CA 0.632 53.719 53.050 0.061 0.000 0.902 397 N CB -0.139 38.390 38.487 0.069 0.000 0.970 397 N HN 0.402 nan 8.380 nan 0.000 0.451 398 A N 0.997 123.859 122.820 0.069 0.000 2.578 398 A HA -0.192 4.128 4.320 -0.000 0.000 0.298 398 A C -0.285 177.351 177.584 0.086 0.000 1.472 398 A CA 0.979 53.058 52.037 0.071 0.000 0.734 398 A CB -1.877 17.159 19.000 0.059 0.000 1.091 398 A HN 0.295 nan 8.150 nan 0.000 0.426 399 D N -0.219 120.234 120.400 0.088 0.000 2.668 399 D HA 0.367 5.007 4.640 -0.000 0.000 0.247 399 D C 0.745 177.081 176.300 0.060 0.000 1.268 399 D CA 0.557 54.615 54.000 0.098 0.000 0.842 399 D CB 0.092 40.967 40.800 0.126 0.000 1.399 399 D HN 0.654 nan 8.370 nan 0.000 0.530 400 T N -1.460 113.142 114.554 0.080 0.000 3.174 400 T HA 0.237 4.587 4.350 -0.000 0.000 0.269 400 T C 0.399 175.171 174.700 0.119 0.000 1.017 400 T CA -0.547 61.617 62.100 0.107 0.000 0.899 400 T CB 0.146 69.082 68.868 0.113 0.000 1.077 400 T HN -0.029 nan 8.240 nan 0.000 0.552 401 D N 2.068 122.517 120.400 0.083 0.000 2.378 401 D HA 0.462 5.102 4.640 -0.000 0.000 0.238 401 D C 1.297 177.690 176.300 0.155 0.000 1.180 401 D CA 1.545 55.605 54.000 0.100 0.000 0.895 401 D CB 0.422 41.278 40.800 0.094 0.000 1.192 401 D HN 0.602 nan 8.370 nan 0.000 0.438 402 G N -0.179 108.721 108.800 0.167 0.000 2.693 402 G HA2 0.012 3.972 3.960 -0.000 0.000 0.226 402 G HA3 0.012 3.972 3.960 -0.000 0.000 0.226 402 G C -0.328 174.738 174.900 0.277 0.000 1.354 402 G CA 0.254 45.492 45.100 0.231 0.000 0.873 402 G HN 0.798 nan 8.290 nan 0.000 0.562 403 M N -3.325 116.422 119.600 0.245 0.000 2.880 403 M HA 0.761 5.241 4.480 -0.000 0.000 0.269 403 M C -1.098 175.214 176.300 0.021 0.000 1.248 403 M CA -1.210 54.081 55.300 -0.016 0.000 0.821 403 M CB 1.836 34.387 32.600 -0.082 0.000 1.650 403 M HN 0.950 nan 8.290 nan 0.000 0.479 404 V N 1.495 121.346 119.914 -0.106 0.000 2.459 404 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 404 V C -0.727 175.407 176.094 0.066 0.000 1.029 404 V CA -0.470 61.854 62.300 0.041 0.000 0.874 404 V CB 1.727 33.568 31.823 0.030 0.000 0.985 404 V HN 0.776 nan 8.190 nan 0.000 0.438 405 K N 5.197 125.675 120.400 0.131 0.000 2.502 405 K HA 0.575 4.895 4.320 -0.000 0.000 0.254 405 K C -1.571 175.129 176.600 0.167 0.000 0.947 405 K CA -0.612 55.746 56.287 0.118 0.000 0.834 405 K CB 1.263 33.819 32.500 0.094 0.000 1.112 405 K HN 0.478 nan 8.250 nan 0.000 0.427 406 I N 5.662 126.296 120.570 0.106 0.000 2.441 406 I HA 0.352 4.522 4.170 -0.000 0.000 0.295 406 I C -0.362 175.823 176.117 0.113 0.000 0.994 406 I CA -0.926 60.433 61.300 0.098 0.000 1.144 406 I CB 1.521 39.515 38.000 -0.010 0.000 1.314 406 I HN 0.599 nan 8.210 nan 0.000 0.445 407 L N 5.338 126.637 121.223 0.128 0.000 2.319 407 L HA 0.668 5.008 4.340 -0.000 0.000 0.281 407 L C 0.378 177.312 176.870 0.107 0.000 1.005 407 L CA -0.380 54.532 54.840 0.120 0.000 0.828 407 L CB 1.838 43.917 42.059 0.032 0.000 1.227 407 L HN 0.692 nan 8.230 nan 0.000 0.415 408 G N 1.701 110.582 108.800 0.136 0.000 2.448 408 G HA2 0.462 4.422 3.960 -0.000 0.000 0.324 408 G HA3 0.462 4.422 3.960 -0.000 0.000 0.324 408 G C -1.280 173.700 174.900 0.134 0.000 1.203 408 G CA -0.450 44.714 45.100 0.106 0.000 0.954 408 G HN 0.512 nan 8.290 nan 0.000 0.480 409 Q N 0.583 120.444 119.800 0.101 0.000 2.296 409 Q HA 0.200 4.540 4.340 -0.000 0.000 0.262 409 Q C 1.548 177.593 176.000 0.076 0.000 0.981 409 Q CA -0.266 55.597 55.803 0.100 0.000 0.905 409 Q CB 1.067 29.850 28.738 0.075 0.000 1.186 409 Q HN 0.625 nan 8.270 nan 0.000 0.399 410 K N 1.849 122.292 120.400 0.070 0.000 2.063 410 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 410 K C 1.659 178.275 176.600 0.026 0.000 1.048 410 K CA 2.089 58.397 56.287 0.035 0.000 0.928 410 K CB 0.013 32.520 32.500 0.012 0.000 0.713 410 K HN 0.740 nan 8.250 nan 0.000 0.442 411 S N -1.000 114.719 115.700 0.031 0.000 2.377 411 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 411 S C 1.966 176.582 174.600 0.027 0.000 1.030 411 S CA 1.213 59.428 58.200 0.025 0.000 0.970 411 S CB -0.385 62.829 63.200 0.025 0.000 0.830 411 S HN 0.503 nan 8.310 nan 0.000 0.473 412 T N -2.757 111.817 114.554 0.034 0.000 3.023 412 T HA 0.232 4.582 4.350 -0.000 0.000 0.253 412 T C 0.500 175.222 174.700 0.037 0.000 1.038 412 T CA 0.654 62.774 62.100 0.034 0.000 0.962 412 T CB -0.251 68.639 68.868 0.037 0.000 1.018 412 T HN 0.289 nan 8.240 nan 0.000 0.521 413 D N 0.885 121.309 120.400 0.040 0.000 3.077 413 D HA -0.202 4.438 4.640 -0.000 0.000 0.217 413 D C 0.192 176.519 176.300 0.045 0.000 1.162 413 D CA 0.746 54.771 54.000 0.041 0.000 0.943 413 D CB -1.415 39.407 40.800 0.036 0.000 1.122 413 D HN 0.725 nan 8.370 nan 0.000 0.413 414 R N -0.176 120.354 120.500 0.050 0.000 2.537 414 R HA 0.329 4.669 4.340 -0.000 0.000 0.280 414 R C -0.216 176.121 176.300 0.060 0.000 1.058 414 R CA -0.312 55.821 56.100 0.055 0.000 1.057 414 R CB 0.681 31.014 30.300 0.056 0.000 0.973 414 R HN -0.018 nan 8.270 nan 0.000 0.438 415 V N 7.865 127.816 119.914 0.062 0.000 2.421 415 V HA -0.027 4.093 4.120 -0.000 0.000 0.271 415 V C 1.243 177.379 176.094 0.070 0.000 1.031 415 V CA 0.342 62.682 62.300 0.067 0.000 1.032 415 V CB 0.577 32.447 31.823 0.078 0.000 1.009 415 V HN 0.824 nan 8.190 nan 0.000 0.477 416 L N 4.082 125.346 121.223 0.067 0.000 2.354 416 L HA 0.434 4.774 4.340 -0.000 0.000 0.212 416 L C 1.102 178.010 176.870 0.063 0.000 1.091 416 L CA 0.725 55.599 54.840 0.056 0.000 0.828 416 L CB 0.124 42.205 42.059 0.037 0.000 0.973 416 L HN 0.771 nan 8.230 nan 0.000 0.461 417 G N -0.244 108.606 108.800 0.082 0.000 2.759 417 G HA2 0.656 4.616 3.960 -0.000 0.000 0.297 417 G HA3 0.656 4.616 3.960 -0.000 0.000 0.297 417 G C -1.889 173.072 174.900 0.102 0.000 1.434 417 G CA -0.076 45.081 45.100 0.095 0.000 0.980 417 G HN -0.009 nan 8.290 nan 0.000 0.531 418 A N 2.179 124.974 122.820 -0.042 0.000 2.343 418 A HA 0.848 5.168 4.320 -0.000 0.000 0.308 418 A C -0.960 176.478 177.584 -0.243 0.000 1.092 418 A CA -0.704 51.362 52.037 0.049 0.000 0.751 418 A CB 1.073 20.196 19.000 0.205 0.000 1.203 418 A HN 0.750 nan 8.150 nan 0.000 0.452 419 H N 2.392 121.574 119.070 0.187 0.000 2.689 419 H HA 0.482 5.038 4.556 -0.000 0.000 0.346 419 H C -1.347 174.073 175.328 0.154 0.000 1.037 419 H CA -0.298 55.849 56.048 0.166 0.000 1.234 419 H CB 1.777 31.569 29.762 0.050 0.000 1.572 419 H HN 0.555 nan 8.280 nan 0.000 0.524 420 I N 4.129 124.839 120.570 0.233 0.000 2.447 420 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 420 I C -0.825 175.385 176.117 0.156 0.000 1.023 420 I CA -0.759 60.668 61.300 0.211 0.000 1.083 420 I CB 2.230 40.337 38.000 0.177 0.000 1.245 420 I HN 0.185 nan 8.210 nan 0.000 0.434 421 L N 7.023 128.362 121.223 0.194 0.000 2.319 421 L HA 0.990 5.330 4.340 -0.000 0.000 0.281 421 L C -0.015 176.956 176.870 0.168 0.000 1.005 421 L CA 0.433 55.336 54.840 0.106 0.000 0.828 421 L CB 0.971 43.089 42.059 0.099 0.000 1.227 421 L HN 0.822 nan 8.230 nan 0.000 0.415 422 G N 4.434 113.206 108.800 -0.045 0.000 2.340 422 G HA2 0.119 4.079 3.960 -0.000 0.000 0.282 422 G HA3 0.119 4.079 3.960 -0.000 0.000 0.282 422 G C -3.346 171.230 174.900 -0.540 0.000 1.312 422 G CA -0.548 44.369 45.100 -0.305 0.000 0.942 422 G HN 0.498 nan 8.290 nan 0.000 0.495 423 P HA 0.382 nan 4.420 nan 0.000 0.276 423 P C 0.982 178.001 177.300 -0.467 0.000 1.230 423 P CA 1.689 64.426 63.100 -0.605 0.000 0.776 423 P CB 0.964 32.365 31.700 -0.498 0.000 0.888 424 G N 2.916 111.543 108.800 -0.288 0.000 2.168 424 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 1.115 175.925 174.900 -0.151 0.000 0.977 424 G CA 0.527 45.525 45.100 -0.169 0.000 0.659 424 G HN 0.690 nan 8.290 nan 0.000 0.533 425 A N 0.204 122.909 122.820 -0.190 0.000 1.892 425 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 425 A C 2.918 180.383 177.584 -0.198 0.000 1.188 425 A CA 2.571 54.521 52.037 -0.145 0.000 0.631 425 A CB -1.182 17.725 19.000 -0.156 0.000 0.822 425 A HN 1.709 nan 8.150 nan 0.000 0.447 426 G N -0.793 107.843 108.800 -0.273 0.000 2.442 426 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 426 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 426 G C 1.401 176.170 174.900 -0.218 0.000 1.141 426 G CA 1.127 46.027 45.100 -0.333 0.000 0.763 426 G HN 0.548 nan 8.290 nan 0.000 0.554 427 E N -0.361 119.747 120.200 -0.153 0.000 2.190 427 E HA 0.084 4.434 4.350 -0.000 0.000 0.191 427 E C 2.361 178.874 176.600 -0.144 0.000 0.978 427 E CA 0.089 56.419 56.400 -0.118 0.000 0.839 427 E CB -0.299 29.358 29.700 -0.072 0.000 0.787 427 E HN 0.467 nan 8.360 nan 0.000 0.473 428 M N 0.728 120.234 119.600 -0.157 0.000 2.108 428 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 428 M C 2.257 178.350 176.300 -0.346 0.000 1.066 428 M CA 1.045 56.212 55.300 -0.221 0.000 1.107 428 M CB -0.049 32.458 32.600 -0.154 0.000 1.356 428 M HN -0.038 nan 8.290 nan 0.000 0.406 429 V N 1.376 121.125 119.914 -0.276 0.000 2.828 429 V HA -0.259 3.861 4.120 -0.000 0.000 0.260 429 V C 1.587 177.538 176.094 -0.238 0.000 1.101 429 V CA 1.749 63.889 62.300 -0.266 0.000 1.123 429 V CB -0.865 30.822 31.823 -0.226 0.000 0.704 429 V HN 0.548 nan 8.190 nan 0.000 0.493 430 N N -0.230 118.341 118.700 -0.215 0.000 2.416 430 N HA -0.106 4.634 4.740 -0.000 0.000 0.177 430 N C 1.739 177.164 175.510 -0.142 0.000 1.036 430 N CA 1.101 54.054 53.050 -0.163 0.000 0.901 430 N CB 0.061 38.465 38.487 -0.137 0.000 0.976 430 N HN 0.686 nan 8.380 nan 0.000 0.444 431 E N 1.113 121.190 120.200 -0.204 0.000 2.112 431 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 431 E C 1.751 178.289 176.600 -0.104 0.000 0.979 431 E CA 0.464 56.774 56.400 -0.150 0.000 0.814 431 E CB 0.138 29.714 29.700 -0.206 0.000 0.762 431 E HN 0.234 nan 8.360 nan 0.000 0.460 432 A N 1.188 123.858 122.820 -0.250 0.000 1.930 432 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 432 A C 2.336 179.935 177.584 0.025 0.000 1.175 432 A CA 1.519 53.552 52.037 -0.006 0.000 0.627 432 A CB -0.540 18.426 19.000 -0.057 0.000 0.815 432 A HN 0.375 nan 8.150 nan 0.000 0.443 433 A N -0.581 122.209 122.820 -0.050 0.000 1.969 433 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 433 A C 2.080 179.647 177.584 -0.029 0.000 1.169 433 A CA 1.600 53.612 52.037 -0.042 0.000 0.635 433 A CB -0.506 18.448 19.000 -0.076 0.000 0.810 433 A HN 0.602 nan 8.150 nan 0.000 0.445 434 L N -0.109 121.107 121.223 -0.013 0.000 2.027 434 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 434 L C 2.681 179.598 176.870 0.077 0.000 1.074 434 L CA 2.144 56.989 54.840 0.008 0.000 0.745 434 L CB -1.036 41.059 42.059 0.060 0.000 0.898 434 L HN 0.345 nan 8.230 nan 0.000 0.433 435 A N -0.487 122.420 122.820 0.145 0.000 1.873 435 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 435 A C 2.245 179.918 177.584 0.149 0.000 1.193 435 A CA 2.286 54.443 52.037 0.200 0.000 0.629 435 A CB -1.187 17.951 19.000 0.230 0.000 0.826 435 A HN 0.442 nan 8.150 nan 0.000 0.447 436 L N -0.041 121.237 121.223 0.092 0.000 2.043 436 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 436 L C 2.441 179.317 176.870 0.011 0.000 1.075 436 L CA 2.055 56.929 54.840 0.056 0.000 0.752 436 L CB -0.683 41.399 42.059 0.038 0.000 0.891 436 L HN 0.407 nan 8.230 nan 0.000 0.432 437 E N -1.457 118.699 120.200 -0.073 0.000 2.204 437 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 437 E C 1.820 178.281 176.600 -0.231 0.000 0.990 437 E CA 1.206 57.489 56.400 -0.195 0.000 0.821 437 E CB -0.161 29.323 29.700 -0.360 0.000 0.750 437 E HN 0.557 nan 8.360 nan 0.000 0.477 438 Y N -0.366 119.951 120.300 0.029 0.000 2.457 438 Y HA 0.243 4.793 4.550 -0.000 0.000 0.263 438 Y C 1.556 177.472 175.900 0.027 0.000 1.164 438 Y CA 0.363 58.477 58.100 0.024 0.000 1.274 438 Y CB 0.464 38.938 38.460 0.024 0.000 1.097 438 Y HN 0.079 nan 8.280 nan 0.000 0.523 439 G N 0.625 109.515 108.800 0.149 0.000 2.221 439 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.265 439 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.265 439 G C 0.431 175.400 174.900 0.116 0.000 1.041 439 G CA 0.037 45.203 45.100 0.109 0.000 0.807 439 G HN 0.633 nan 8.290 nan 0.000 0.502 440 A N -0.059 122.849 122.820 0.147 0.000 2.483 440 A HA 0.659 4.979 4.320 -0.000 0.000 0.238 440 A C 1.144 178.779 177.584 0.085 0.000 1.070 440 A CA 0.974 53.083 52.037 0.121 0.000 0.770 440 A CB 0.310 19.402 19.000 0.153 0.000 1.008 440 A HN 2.077 nan 8.150 nan 0.000 0.497 441 S N 0.497 116.233 115.700 0.060 0.000 2.672 441 S HA 0.241 4.711 4.470 -0.000 0.000 0.276 441 S C 1.091 175.706 174.600 0.026 0.000 1.207 441 S CA -0.141 58.085 58.200 0.043 0.000 1.002 441 S CB 0.728 63.948 63.200 0.034 0.000 0.998 441 S HN 0.715 nan 8.310 nan 0.000 0.542 442 C N 0.673 119.980 119.300 0.011 0.000 2.425 442 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 442 C C 2.702 177.676 174.990 -0.026 0.000 1.280 442 C CA 1.120 60.122 59.018 -0.027 0.000 1.744 442 C CB -1.583 26.147 27.740 -0.016 0.000 1.989 442 C HN 1.087 nan 8.230 nan 0.000 0.491 443 E N 1.009 121.210 120.200 0.002 0.000 2.072 443 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 443 E C 1.461 178.061 176.600 0.000 0.000 0.985 443 E CA 1.329 57.731 56.400 0.003 0.000 0.801 443 E CB -0.131 29.580 29.700 0.018 0.000 0.750 443 E HN 0.531 nan 8.360 nan 0.000 0.452 444 D N 0.818 121.225 120.400 0.012 0.000 2.127 444 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 444 D C 2.071 178.392 176.300 0.034 0.000 1.000 444 D CA 1.422 55.434 54.000 0.020 0.000 0.839 444 D CB -0.396 40.423 40.800 0.031 0.000 0.955 444 D HN 0.327 nan 8.370 nan 0.000 0.446 445 I N 1.192 121.784 120.570 0.036 0.000 2.208 445 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 445 I C 2.503 178.638 176.117 0.031 0.000 1.097 445 I CA 1.136 62.474 61.300 0.063 0.000 1.363 445 I CB -0.294 37.693 38.000 -0.023 0.000 1.051 445 I HN -0.070 nan 8.210 nan 0.000 0.413 446 A N 0.684 123.474 122.820 -0.050 0.000 1.978 446 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 446 A C 2.306 179.872 177.584 -0.031 0.000 1.170 446 A CA 1.529 53.518 52.037 -0.080 0.000 0.636 446 A CB -0.502 18.451 19.000 -0.078 0.000 0.810 446 A HN 0.389 nan 8.150 nan 0.000 0.448 447 R N -1.095 119.406 120.500 0.002 0.000 2.317 447 R HA 0.198 4.538 4.340 -0.000 0.000 0.208 447 R C -0.405 175.921 176.300 0.043 0.000 0.914 447 R CA -0.165 55.939 56.100 0.007 0.000 1.060 447 R CB 0.289 30.584 30.300 -0.008 0.000 1.015 447 R HN 0.280 nan 8.270 nan 0.000 0.498 448 V N 1.351 121.324 119.914 0.099 0.000 2.508 448 V HA -0.023 4.097 4.120 -0.000 0.000 0.281 448 V C 0.418 176.617 176.094 0.176 0.000 1.041 448 V CA -0.681 61.677 62.300 0.098 0.000 1.016 448 V CB 1.160 33.040 31.823 0.094 0.000 0.984 448 V HN 0.317 nan 8.190 nan 0.000 0.478 449 C N 7.633 126.976 119.300 0.071 0.000 2.619 449 C HA 0.279 4.739 4.460 -0.000 0.000 0.389 449 C C 0.458 175.482 174.990 0.057 0.000 1.314 449 C CA -0.374 58.698 59.018 0.090 0.000 1.678 449 C CB -1.773 25.986 27.740 0.033 0.000 2.398 449 C HN 0.881 nan 8.230 nan 0.000 0.582 450 H N 3.360 122.448 119.070 0.029 0.000 2.472 450 H HA 0.535 5.091 4.556 -0.000 0.000 0.335 450 H C 0.546 175.908 175.328 0.057 0.000 1.136 450 H CA 0.409 56.484 56.048 0.046 0.000 1.264 450 H CB 1.141 30.935 29.762 0.054 0.000 1.486 450 H HN 0.860 nan 8.280 nan 0.000 0.517 451 A N 2.065 124.971 122.820 0.142 0.000 2.477 451 A HA 0.160 4.480 4.320 -0.000 0.000 0.246 451 A C -0.415 177.258 177.584 0.147 0.000 1.078 451 A CA 0.096 52.202 52.037 0.115 0.000 0.770 451 A CB -0.459 18.581 19.000 0.066 0.000 1.011 451 A HN 0.867 nan 8.150 nan 0.000 0.494 452 H N 3.039 122.144 119.070 0.059 0.000 2.476 452 H HA 0.629 5.185 4.556 -0.000 0.000 0.328 452 H C -2.336 173.021 175.328 0.049 0.000 1.073 452 H CA -1.464 54.617 56.048 0.055 0.000 1.229 452 H CB 1.260 31.048 29.762 0.044 0.000 1.432 452 H HN 0.561 nan 8.280 nan 0.000 0.477 453 P HA 0.298 nan 4.420 nan 0.000 0.303 453 P C -1.352 175.853 177.300 -0.158 0.000 1.350 453 P CA -0.643 62.113 63.100 -0.572 0.000 0.880 453 P CB 1.903 33.209 31.700 -0.657 0.000 1.018 454 T N -1.199 113.329 114.554 -0.045 0.000 2.883 454 T HA 0.365 4.715 4.350 -0.000 0.000 0.301 454 T C 1.155 175.916 174.700 0.103 0.000 1.158 454 T CA -0.917 61.207 62.100 0.040 0.000 1.007 454 T CB 0.859 69.771 68.868 0.074 0.000 1.186 454 T HN 0.115 nan 8.240 nan 0.000 0.499 455 L N 1.404 122.709 121.223 0.136 0.000 2.191 455 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 455 L C 2.993 180.025 176.870 0.271 0.000 1.103 455 L CA 1.441 56.434 54.840 0.254 0.000 0.769 455 L CB -0.674 41.503 42.059 0.197 0.000 0.908 455 L HN 0.945 nan 8.230 nan 0.000 0.438 456 S N -0.587 115.232 115.700 0.200 0.000 2.442 456 S HA -0.194 4.276 4.470 -0.000 0.000 0.236 456 S C 1.628 176.320 174.600 0.153 0.000 1.007 456 S CA 0.969 59.313 58.200 0.239 0.000 0.965 456 S CB -0.315 63.076 63.200 0.318 0.000 0.773 456 S HN 0.508 nan 8.310 nan 0.000 0.504 457 E N 1.357 121.599 120.200 0.070 0.000 2.265 457 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 457 E C 2.270 178.706 176.600 -0.272 0.000 0.996 457 E CA 0.861 57.200 56.400 -0.103 0.000 0.832 457 E CB -0.348 29.352 29.700 -0.001 0.000 0.756 457 E HN 0.782 nan 8.360 nan 0.000 0.491 458 A N 0.660 123.394 122.820 -0.143 0.000 1.968 458 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 458 A C 1.851 179.298 177.584 -0.228 0.000 1.169 458 A CA 0.713 52.585 52.037 -0.276 0.000 0.638 458 A CB -0.433 18.392 19.000 -0.291 0.000 0.812 458 A HN 0.309 nan 8.150 nan 0.000 0.446 459 F N 0.519 120.338 119.950 -0.218 0.000 2.163 459 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 459 F C 2.273 177.935 175.800 -0.230 0.000 1.094 459 F CA 1.544 59.456 58.000 -0.147 0.000 1.290 459 F CB -0.308 38.669 39.000 -0.038 0.000 1.017 459 F HN 0.203 nan 8.300 nan 0.000 0.483 460 R N 0.387 120.625 120.500 -0.436 0.000 2.081 460 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 460 R C 2.103 178.119 176.300 -0.473 0.000 1.131 460 R CA 1.847 57.588 56.100 -0.600 0.000 0.960 460 R CB -0.346 29.435 30.300 -0.864 0.000 0.856 460 R HN 0.299 nan 8.270 nan 0.000 0.436 461 E N -0.019 119.853 120.200 -0.547 0.000 2.107 461 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 461 E C 1.865 178.278 176.600 -0.311 0.000 0.982 461 E CA 1.048 57.110 56.400 -0.562 0.000 0.809 461 E CB -0.041 28.871 29.700 -1.313 0.000 0.756 461 E HN 0.460 nan 8.360 nan 0.000 0.459 462 A N 1.783 124.440 122.820 -0.272 0.000 1.969 462 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 462 A C 1.957 179.455 177.584 -0.144 0.000 1.169 462 A CA 1.071 53.053 52.037 -0.093 0.000 0.635 462 A CB -0.357 18.605 19.000 -0.063 0.000 0.810 462 A HN 0.139 nan 8.150 nan 0.000 0.445 463 N N -0.341 118.186 118.700 -0.289 0.000 2.171 463 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 463 N C 1.713 177.149 175.510 -0.123 0.000 1.021 463 N CA 1.502 54.401 53.050 -0.251 0.000 0.854 463 N CB -0.267 37.982 38.487 -0.397 0.000 0.994 463 N HN 0.426 nan 8.380 nan 0.000 0.426 464 L N 1.523 122.670 121.223 -0.127 0.000 2.046 464 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 464 L C 2.202 179.110 176.870 0.063 0.000 1.077 464 L CA 1.555 56.373 54.840 -0.037 0.000 0.747 464 L CB -0.792 41.221 42.059 -0.076 0.000 0.896 464 L HN 0.060 nan 8.230 nan 0.000 0.432 465 A N -0.391 122.461 122.820 0.053 0.000 1.902 465 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 465 A C 2.456 180.082 177.584 0.070 0.000 1.181 465 A CA 1.923 54.022 52.037 0.103 0.000 0.623 465 A CB -1.199 17.878 19.000 0.127 0.000 0.818 465 A HN 0.589 nan 8.150 nan 0.000 0.443 466 A N -1.029 121.814 122.820 0.039 0.000 1.898 466 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 466 A C 2.484 180.090 177.584 0.038 0.000 1.181 466 A CA 2.159 54.217 52.037 0.034 0.000 0.620 466 A CB -0.910 18.105 19.000 0.025 0.000 0.819 466 A HN 0.553 nan 8.150 nan 0.000 0.442 467 S N -1.583 114.146 115.700 0.048 0.000 2.335 467 S HA -0.107 4.363 4.470 -0.000 0.000 0.216 467 S C 1.702 176.369 174.600 0.112 0.000 1.032 467 S CA 1.601 59.842 58.200 0.069 0.000 1.000 467 S CB -0.434 62.804 63.200 0.064 0.000 0.928 467 S HN 0.615 nan 8.310 nan 0.000 0.434 468 F N 0.819 120.760 119.950 -0.015 0.000 2.664 468 F HA 0.345 4.872 4.527 -0.000 0.000 0.296 468 F C 1.490 177.287 175.800 -0.005 0.000 1.125 468 F CA 1.208 59.202 58.000 -0.011 0.000 1.444 468 F CB 0.196 39.188 39.000 -0.014 0.000 1.114 468 F HN 0.450 nan 8.300 nan 0.000 0.576 469 G N 0.912 109.670 108.800 -0.069 0.000 2.307 469 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.210 469 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.210 469 G C 0.014 174.897 174.900 -0.027 0.000 1.005 469 G CA 0.010 45.022 45.100 -0.147 0.000 0.634 469 G HN 0.598 nan 8.290 nan 0.000 0.496 470 K N -0.087 120.387 120.400 0.123 0.000 2.568 470 K HA 0.745 5.065 4.320 -0.000 0.000 0.273 470 K C -0.460 176.298 176.600 0.264 0.000 0.951 470 K CA -0.572 55.825 56.287 0.184 0.000 0.854 470 K CB 1.455 34.036 32.500 0.135 0.000 1.424 470 K HN 0.101 nan 8.250 nan 0.000 0.427 471 S N 1.012 116.853 115.700 0.234 0.000 2.661 471 S HA 0.260 4.730 4.470 -0.000 0.000 0.265 471 S C 1.143 175.850 174.600 0.179 0.000 1.225 471 S CA -0.751 57.575 58.200 0.211 0.000 0.986 471 S CB 0.357 63.796 63.200 0.398 0.000 1.008 471 S HN 0.522 nan 8.310 nan 0.000 0.565 472 I N 1.386 122.029 120.570 0.122 0.000 2.429 472 I HA 0.014 4.184 4.170 -0.000 0.000 0.247 472 I C 1.396 177.611 176.117 0.163 0.000 1.099 472 I CA 1.052 62.407 61.300 0.091 0.000 1.422 472 I CB -1.010 37.001 38.000 0.019 0.000 1.112 472 I HN 0.526 nan 8.210 nan 0.000 0.430 473 N N -0.150 118.715 118.700 0.275 0.000 2.383 473 N HA 0.058 4.798 4.740 -0.000 0.000 0.192 473 N C -0.145 175.638 175.510 0.454 0.000 1.141 473 N CA 0.245 53.517 53.050 0.370 0.000 0.851 473 N CB 0.731 39.479 38.487 0.434 0.000 0.976 473 N HN 0.177 nan 8.380 nan 0.000 0.465 474 F N 0.000 120.082 119.950 0.221 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.027 58.000 0.044 0.000 1.383 474 F CB 0.000 38.883 39.000 -0.195 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574