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 2j7a_1_J DATA FIRST_RESID 26 DATA SEQUENCE GCSDVSTELK TPVYKTKLTA EEIRNSAFKP EFPKQYASYE RNDETTVMTE DATA SEQUENCE YKGSVPFNKN DNVNPLPEGY RHAQPYLKNL WLGYPFMYEY REARGHTYAI DATA SEQUENCE QDFLHIDRIN RYAEKGGLPA TCWNCKTPKM MEWVKESGDG FWAKDVNEFR DATA SEQUENCE DKIDMKDHTI GCATCHDPQT MELRITSVPL TDYLVSQGKD PKKLPRNEMR DATA SEQUENCE ALVCGQCHVE YYFNGPTMGV NKKPVFPWAE GFDPADMYRY YDKHGDLQVK DATA SEQUENCE GFEGKFADWT HPASKTPMIK AQHPEYETWI NGTHGAAGVT CADCHMSYTR DATA SEQUENCE SDDKKKISSH WWTSPMKDPE MRACRQCHSD KTPDYLKSRV LFTQKRTFDL DATA SEQUENCE LLAAQEVSVK AHEAVRLANE YQGAKAAGYD DLMIQAREMV RKGQFFWDYV DATA SEQUENCE SAENSVGFHN PAKALDTLAQ SQQFSQKAID LAMEATQYGI GKDLSGDIKT DATA SEQUENCE IVPPILKMNR KLQQDPEFMK THKWFQYLPV LPKADQVWDG QKRL 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 26 G C 0.000 174.901 174.900 0.001 0.000 0.946 26 G CA 0.000 45.101 45.100 0.001 0.000 0.502 27 C N -0.104 119.196 119.300 0.001 0.000 2.595 27 C HA 0.705 5.165 4.460 -0.000 0.000 0.384 27 C C 1.589 176.580 174.990 0.001 0.000 1.289 27 C CA -0.114 58.905 59.018 0.001 0.000 2.372 27 C CB 1.154 28.895 27.740 0.001 0.000 2.593 27 C HN 0.861 nan 8.230 nan 0.000 0.639 28 S N 0.126 115.826 115.700 0.001 0.000 2.592 28 S HA 0.197 4.667 4.470 -0.000 0.000 0.271 28 S C 0.481 175.081 174.600 0.001 0.000 1.326 28 S CA -0.275 57.925 58.200 0.001 0.000 1.024 28 S CB 0.394 63.594 63.200 0.001 0.000 0.921 28 S HN 0.842 nan 8.310 nan 0.000 0.527 29 D N 1.208 121.609 120.400 0.001 0.000 2.431 29 D HA 0.069 4.709 4.640 -0.000 0.000 0.213 29 D C 0.426 176.726 176.300 0.000 0.000 1.130 29 D CA -0.343 53.657 54.000 0.001 0.000 0.834 29 D CB 0.067 40.867 40.800 0.001 0.000 0.985 29 D HN 0.306 nan 8.370 nan 0.000 0.504 30 V N 0.337 120.251 119.914 0.000 0.000 2.324 30 V HA 0.196 4.316 4.120 -0.000 0.000 0.244 30 V C 0.563 176.657 176.094 -0.001 0.000 1.144 30 V CA 0.238 62.538 62.300 -0.000 0.000 1.158 30 V CB 0.246 32.069 31.823 0.000 0.000 1.254 30 V HN 0.162 nan 8.190 nan 0.000 0.492 31 S N 3.519 119.218 115.700 -0.001 0.000 2.458 31 S HA 0.060 4.530 4.470 -0.000 0.000 0.223 31 S C 0.965 175.563 174.600 -0.002 0.000 1.019 31 S CA 0.715 58.914 58.200 -0.001 0.000 0.937 31 S CB 0.087 63.286 63.200 -0.001 0.000 0.788 31 S HN 0.856 nan 8.310 nan 0.000 0.511 32 T N 4.098 118.650 114.554 -0.002 0.000 2.747 32 T HA 0.239 4.589 4.350 -0.000 0.000 0.301 32 T C -0.219 174.479 174.700 -0.004 0.000 0.952 32 T CA -0.412 61.686 62.100 -0.003 0.000 0.983 32 T CB 0.376 69.242 68.868 -0.003 0.000 0.930 32 T HN 0.427 nan 8.240 nan 0.000 0.494 33 E N 2.382 122.579 120.200 -0.005 0.000 2.331 33 E HA 0.427 4.777 4.350 -0.000 0.000 0.272 33 E C -0.359 176.237 176.600 -0.007 0.000 1.036 33 E CA -1.104 55.293 56.400 -0.005 0.000 0.864 33 E CB 0.745 30.443 29.700 -0.004 0.000 1.035 33 E HN 0.264 nan 8.360 nan 0.000 0.408 34 L N 2.525 123.744 121.223 -0.007 0.000 2.410 34 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 34 L C -0.787 176.078 176.870 -0.008 0.000 1.152 34 L CA 0.514 55.348 54.840 -0.009 0.000 0.855 34 L CB -0.029 42.025 42.059 -0.009 0.000 1.129 34 L HN 0.548 nan 8.230 nan 0.000 0.463 35 K N 2.941 123.333 120.400 -0.013 0.000 2.501 35 K HA 0.363 4.683 4.320 -0.000 0.000 0.252 35 K C -0.739 175.849 176.600 -0.019 0.000 0.934 35 K CA -0.762 55.516 56.287 -0.015 0.000 0.797 35 K CB 1.847 34.334 32.500 -0.022 0.000 1.270 35 K HN 0.510 nan 8.250 nan 0.000 0.431 36 T N 4.312 118.859 114.554 -0.012 0.000 2.831 36 T HA 0.064 4.414 4.350 -0.000 0.000 0.291 36 T C -2.142 172.523 174.700 -0.059 0.000 0.981 36 T CA -0.669 61.425 62.100 -0.011 0.000 1.174 36 T CB -0.157 68.717 68.868 0.010 0.000 0.929 36 T HN 0.260 nan 8.240 nan 0.000 0.532 37 P HA 0.276 nan 4.420 nan 0.000 0.267 37 P C -0.914 176.139 177.300 -0.411 0.000 1.200 37 P CA -0.343 62.600 63.100 -0.261 0.000 0.772 37 P CB 0.499 32.046 31.700 -0.255 0.000 0.855 38 V N 3.187 122.793 119.914 -0.514 0.000 2.735 38 V HA 0.427 4.547 4.120 -0.000 0.000 0.310 38 V C -0.992 174.803 176.094 -0.499 0.000 1.061 38 V CA -0.482 61.589 62.300 -0.381 0.000 0.913 38 V CB 1.536 33.276 31.823 -0.139 0.000 1.005 38 V HN 0.405 nan 8.190 nan 0.000 0.428 39 Y N 2.531 122.893 120.300 0.103 0.000 2.391 39 Y HA 0.614 5.164 4.550 -0.000 0.000 0.341 39 Y C 0.055 176.019 175.900 0.106 0.000 0.965 39 Y CA -0.866 57.316 58.100 0.137 0.000 1.067 39 Y CB 1.994 40.587 38.460 0.221 0.000 1.199 39 Y HN 0.373 nan 8.280 nan 0.000 0.450 40 K N 2.472 123.006 120.400 0.224 0.000 2.450 40 K HA 0.391 4.711 4.320 -0.000 0.000 0.257 40 K C -0.279 176.399 176.600 0.130 0.000 0.953 40 K CA -0.609 55.767 56.287 0.147 0.000 0.844 40 K CB 1.649 34.195 32.500 0.077 0.000 1.103 40 K HN 0.823 nan 8.250 nan 0.000 0.429 41 T N -0.692 113.935 114.554 0.121 0.000 2.849 41 T HA 0.276 4.626 4.350 -0.000 0.000 0.276 41 T C 0.835 175.527 174.700 -0.013 0.000 0.971 41 T CA -0.531 61.596 62.100 0.044 0.000 0.949 41 T CB 1.041 69.947 68.868 0.063 0.000 1.093 41 T HN 0.412 nan 8.240 nan 0.000 0.545 42 K N -0.339 120.022 120.400 -0.065 0.000 2.374 42 K HA 0.365 4.685 4.320 -0.000 0.000 0.196 42 K C 0.206 176.754 176.600 -0.086 0.000 1.023 42 K CA -0.128 56.117 56.287 -0.070 0.000 1.103 42 K CB -0.147 32.302 32.500 -0.084 0.000 0.848 42 K HN 0.448 nan 8.250 nan 0.000 0.528 43 L N 1.652 122.807 121.223 -0.112 0.000 2.436 43 L HA 0.111 4.451 4.340 -0.000 0.000 0.265 43 L C 0.917 177.733 176.870 -0.091 0.000 1.168 43 L CA -0.459 54.290 54.840 -0.151 0.000 0.815 43 L CB 0.630 42.517 42.059 -0.287 0.000 1.109 43 L HN 0.178 nan 8.230 nan 0.000 0.462 44 T N -1.360 113.142 114.554 -0.086 0.000 2.828 44 T HA 0.291 4.641 4.350 -0.000 0.000 0.290 44 T C 1.088 175.769 174.700 -0.031 0.000 1.019 44 T CA -0.211 61.859 62.100 -0.048 0.000 1.031 44 T CB 1.453 70.296 68.868 -0.042 0.000 1.001 44 T HN 0.658 nan 8.240 nan 0.000 0.531 45 A N 0.111 122.922 122.820 -0.014 0.000 2.070 45 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 45 A C 1.760 179.346 177.584 0.003 0.000 1.159 45 A CA 1.423 53.461 52.037 0.002 0.000 0.656 45 A CB -0.712 18.289 19.000 0.002 0.000 0.800 45 A HN 0.961 nan 8.150 nan 0.000 0.453 46 E N -0.364 119.830 120.200 -0.010 0.000 2.685 46 E HA 0.153 4.503 4.350 -0.000 0.000 0.208 46 E C -0.461 176.132 176.600 -0.010 0.000 0.996 46 E CA -0.296 56.094 56.400 -0.016 0.000 1.054 46 E CB 0.185 29.865 29.700 -0.032 0.000 1.075 46 E HN 0.398 nan 8.360 nan 0.000 0.460 47 E N 0.748 120.948 120.200 -0.000 0.000 2.376 47 E HA 0.011 4.361 4.350 -0.000 0.000 0.266 47 E C 0.545 177.210 176.600 0.109 0.000 1.009 47 E CA 0.302 56.706 56.400 0.005 0.000 0.902 47 E CB 0.587 30.225 29.700 -0.103 0.000 0.972 47 E HN 0.493 nan 8.360 nan 0.000 0.439 48 I N 0.539 121.182 120.570 0.121 0.000 4.442 48 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 48 I C 0.099 176.361 176.117 0.241 0.000 1.364 48 I CA -0.620 60.778 61.300 0.164 0.000 1.207 48 I CB 0.458 38.469 38.000 0.018 0.000 1.298 48 I HN 0.076 nan 8.210 nan 0.000 0.463 49 R N 2.393 123.030 120.500 0.227 0.000 2.298 49 R HA 0.276 4.616 4.340 -0.000 0.000 0.310 49 R C 0.594 177.067 176.300 0.289 0.000 1.068 49 R CA -0.346 55.863 56.100 0.182 0.000 0.957 49 R CB 0.401 30.751 30.300 0.084 0.000 1.003 49 R HN 0.206 nan 8.270 nan 0.000 0.454 50 N N 1.043 119.889 118.700 0.244 0.000 2.120 50 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 50 N C 1.525 177.289 175.510 0.424 0.000 1.024 50 N CA 1.919 55.172 53.050 0.339 0.000 0.852 50 N CB -0.191 38.467 38.487 0.286 0.000 1.003 50 N HN 0.579 nan 8.380 nan 0.000 0.424 51 S N 0.251 116.089 115.700 0.229 0.000 2.469 51 S HA 0.021 4.491 4.470 -0.000 0.000 0.238 51 S C 1.938 176.520 174.600 -0.029 0.000 0.998 51 S CA 0.887 59.113 58.200 0.043 0.000 0.957 51 S CB -0.219 62.989 63.200 0.014 0.000 0.764 51 S HN 0.354 nan 8.310 nan 0.000 0.514 52 A N 0.365 123.209 122.820 0.039 0.000 2.067 52 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 52 A C 1.630 179.128 177.584 -0.143 0.000 1.156 52 A CA 0.523 52.507 52.037 -0.088 0.000 0.683 52 A CB -0.683 18.229 19.000 -0.148 0.000 0.808 52 A HN 0.545 nan 8.150 nan 0.000 0.455 53 F N -0.264 119.683 119.950 -0.004 0.000 2.473 53 F HA 0.112 4.639 4.527 -0.000 0.000 0.294 53 F C 2.068 177.872 175.800 0.007 0.000 1.103 53 F CA 1.068 59.116 58.000 0.080 0.000 1.442 53 F CB 0.033 39.120 39.000 0.144 0.000 1.097 53 F HN 0.121 nan 8.300 nan 0.000 0.547 54 K N 0.893 121.220 120.400 -0.121 0.000 2.034 54 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 54 K C -0.830 175.643 176.600 -0.211 0.000 1.051 54 K CA 2.037 58.026 56.287 -0.496 0.000 0.931 54 K CB -1.180 30.692 32.500 -1.046 0.000 0.715 54 K HN 0.104 nan 8.250 nan 0.000 0.446 55 P HA -0.151 nan 4.420 nan 0.000 0.216 55 P C 0.545 177.719 177.300 -0.209 0.000 1.153 55 P CA 1.316 64.316 63.100 -0.168 0.000 0.848 55 P CB 0.008 31.614 31.700 -0.158 0.000 0.787 56 E N -1.359 118.668 120.200 -0.288 0.000 2.158 56 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 56 E C 0.214 176.267 176.600 -0.912 0.000 0.982 56 E CA 0.920 56.938 56.400 -0.636 0.000 0.823 56 E CB -0.163 29.036 29.700 -0.835 0.000 0.766 56 E HN 0.386 nan 8.360 nan 0.000 0.468 57 F N 0.859 120.800 119.950 -0.015 0.000 2.584 57 F HA 0.236 4.763 4.527 -0.000 0.000 0.328 57 F C -1.774 174.042 175.800 0.028 0.000 1.407 57 F CA -1.850 56.145 58.000 -0.008 0.000 1.145 57 F CB 1.439 40.415 39.000 -0.041 0.000 1.440 57 F HN -0.127 nan 8.300 nan 0.000 0.580 58 P HA -0.146 nan 4.420 nan 0.000 0.220 58 P C 1.125 178.506 177.300 0.134 0.000 1.148 58 P CA 1.396 64.556 63.100 0.100 0.000 0.803 58 P CB 0.393 32.108 31.700 0.025 0.000 0.782 59 K N -0.262 120.209 120.400 0.119 0.000 2.031 59 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 59 K C 2.373 179.011 176.600 0.063 0.000 1.049 59 K CA 1.313 57.654 56.287 0.089 0.000 0.939 59 K CB -0.259 32.296 32.500 0.091 0.000 0.717 59 K HN 0.034 nan 8.250 nan 0.000 0.438 60 Q N -0.515 119.304 119.800 0.031 0.000 2.172 60 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 60 Q C 1.703 177.621 176.000 -0.136 0.000 0.964 60 Q CA 1.160 56.861 55.803 -0.169 0.000 0.855 60 Q CB -0.273 28.186 28.738 -0.465 0.000 0.918 60 Q HN 0.322 nan 8.270 nan 0.000 0.444 61 Y N 0.727 120.993 120.300 -0.057 0.000 2.145 61 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 61 Y C 2.214 178.157 175.900 0.072 0.000 1.145 61 Y CA 1.535 59.659 58.100 0.039 0.000 1.148 61 Y CB -0.391 38.116 38.460 0.079 0.000 0.981 61 Y HN 0.141 nan 8.280 nan 0.000 0.507 62 A N -1.386 121.543 122.820 0.182 0.000 1.940 62 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 62 A C 2.450 180.007 177.584 -0.046 0.000 1.176 62 A CA 1.997 54.075 52.037 0.068 0.000 0.631 62 A CB -1.267 17.765 19.000 0.053 0.000 0.814 62 A HN 0.481 nan 8.150 nan 0.000 0.446 63 S N -1.936 113.738 115.700 -0.043 0.000 2.348 63 S HA -0.194 4.276 4.470 -0.000 0.000 0.221 63 S C 1.874 176.401 174.600 -0.121 0.000 1.033 63 S CA 1.549 59.704 58.200 -0.074 0.000 1.010 63 S CB -0.563 62.636 63.200 -0.002 0.000 0.891 63 S HN 0.704 nan 8.310 nan 0.000 0.442 64 Y N 2.273 122.407 120.300 -0.277 0.000 2.181 64 Y HA -0.176 4.374 4.550 -0.000 0.000 0.284 64 Y C 1.978 177.720 175.900 -0.263 0.000 1.179 64 Y CA 2.260 60.173 58.100 -0.311 0.000 1.179 64 Y CB -0.552 37.676 38.460 -0.387 0.000 0.973 64 Y HN 0.413 nan 8.280 nan 0.000 0.519 65 E N -0.263 119.708 120.200 -0.381 0.000 2.409 65 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 65 E C 2.037 178.416 176.600 -0.369 0.000 1.024 65 E CA 0.523 56.682 56.400 -0.403 0.000 0.861 65 E CB -0.096 29.481 29.700 -0.206 0.000 0.788 65 E HN 0.584 nan 8.360 nan 0.000 0.521 66 R N 0.814 121.055 120.500 -0.431 0.000 2.148 66 R HA -0.033 4.307 4.340 -0.000 0.000 0.227 66 R C 1.698 177.684 176.300 -0.523 0.000 1.103 66 R CA 0.598 56.281 56.100 -0.694 0.000 0.983 66 R CB -0.174 29.378 30.300 -1.246 0.000 0.874 66 R HN 0.136 nan 8.270 nan 0.000 0.451 67 N N 1.225 119.799 118.700 -0.210 0.000 2.513 67 N HA -0.147 4.593 4.740 -0.000 0.000 0.187 67 N C 0.634 176.166 175.510 0.036 0.000 1.056 67 N CA 1.086 54.183 53.050 0.079 0.000 0.907 67 N CB -0.122 38.389 38.487 0.041 0.000 0.954 67 N HN 0.241 nan 8.380 nan 0.000 0.445 68 D N 0.867 121.189 120.400 -0.130 0.000 2.264 68 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 68 D C 0.740 177.150 176.300 0.183 0.000 0.966 68 D CA 0.502 54.458 54.000 -0.074 0.000 0.864 68 D CB -0.093 40.596 40.800 -0.184 0.000 0.933 68 D HN 0.241 nan 8.370 nan 0.000 0.499 69 E N 0.758 121.012 120.200 0.090 0.000 2.493 69 E HA -0.050 4.300 4.350 -0.000 0.000 0.255 69 E C -0.166 176.554 176.600 0.199 0.000 0.999 69 E CA 0.734 57.207 56.400 0.122 0.000 0.934 69 E CB 0.537 30.291 29.700 0.090 0.000 0.940 69 E HN -0.090 nan 8.360 nan 0.000 0.473 70 T N 2.467 117.098 114.554 0.127 0.000 3.672 70 T HA 0.123 4.473 4.350 -0.000 0.000 0.296 70 T C 0.539 175.249 174.700 0.016 0.000 0.979 70 T CA 0.394 62.526 62.100 0.052 0.000 1.013 70 T CB -0.130 68.689 68.868 -0.082 0.000 1.184 70 T HN 0.529 nan 8.240 nan 0.000 0.477 71 T N -2.122 112.457 114.554 0.041 0.000 2.969 71 T HA 0.386 4.736 4.350 -0.000 0.000 0.258 71 T C 0.345 175.056 174.700 0.019 0.000 0.962 71 T CA -0.005 62.108 62.100 0.021 0.000 0.903 71 T CB 0.280 69.162 68.868 0.023 0.000 1.177 71 T HN 0.106 nan 8.240 nan 0.000 0.511 72 V N 3.739 123.678 119.914 0.041 0.000 2.465 72 V HA 0.567 4.687 4.120 -0.000 0.000 0.279 72 V C -0.182 175.908 176.094 -0.006 0.000 1.045 72 V CA -0.571 61.748 62.300 0.032 0.000 0.938 72 V CB 1.242 33.110 31.823 0.075 0.000 0.986 72 V HN 0.423 nan 8.190 nan 0.000 0.467 73 M N 3.914 123.491 119.600 -0.038 0.000 2.508 73 M HA 0.475 4.955 4.480 -0.000 0.000 0.327 73 M C 0.348 176.621 176.300 -0.044 0.000 1.160 73 M CA -0.291 54.955 55.300 -0.090 0.000 0.980 73 M CB 1.987 34.471 32.600 -0.192 0.000 1.693 73 M HN 0.904 nan 8.290 nan 0.000 0.452 74 T N -1.520 113.010 114.554 -0.040 0.000 2.946 74 T HA 0.362 4.712 4.350 -0.000 0.000 0.295 74 T C 1.015 175.718 174.700 0.006 0.000 1.143 74 T CA -0.249 61.840 62.100 -0.018 0.000 0.944 74 T CB 0.882 69.736 68.868 -0.024 0.000 1.800 74 T HN 0.591 nan 8.240 nan 0.000 0.590 75 E N -0.221 119.972 120.200 -0.012 0.000 2.017 75 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 75 E C 1.529 178.032 176.600 -0.162 0.000 0.997 75 E CA 1.713 58.054 56.400 -0.099 0.000 0.804 75 E CB -0.507 29.097 29.700 -0.159 0.000 0.757 75 E HN 0.747 nan 8.360 nan 0.000 0.448 76 Y N -0.874 119.451 120.300 0.042 0.000 2.498 76 Y HA 0.286 4.836 4.550 -0.000 0.000 0.259 76 Y C 0.877 176.820 175.900 0.071 0.000 1.086 76 Y CA -0.140 57.961 58.100 0.001 0.000 1.287 76 Y CB 0.636 38.983 38.460 -0.187 0.000 1.146 76 Y HN -0.177 nan 8.280 nan 0.000 0.523 77 K N -0.427 120.059 120.400 0.143 0.000 2.158 77 K HA 0.812 5.132 4.320 -0.000 0.000 0.243 77 K C 0.093 176.701 176.600 0.013 0.000 1.079 77 K CA -0.063 56.283 56.287 0.098 0.000 0.920 77 K CB 0.960 33.513 32.500 0.088 0.000 1.400 77 K HN 0.150 nan 8.250 nan 0.000 0.561 78 G N -0.554 108.254 108.800 0.012 0.000 2.359 78 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.303 78 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.303 78 G C -0.593 174.314 174.900 0.011 0.000 1.293 78 G CA -0.261 44.831 45.100 -0.013 0.000 0.964 78 G HN 0.241 nan 8.290 nan 0.000 0.531 79 S N -0.857 114.853 115.700 0.018 0.000 2.554 79 S HA 0.335 4.805 4.470 -0.000 0.000 0.226 79 S C 0.544 175.147 174.600 0.004 0.000 0.980 79 S CA 0.185 58.406 58.200 0.035 0.000 0.939 79 S CB 0.776 64.031 63.200 0.092 0.000 0.832 79 S HN 0.851 nan 8.310 nan 0.000 0.486 80 V N 5.160 125.078 119.914 0.006 0.000 2.408 80 V HA 0.229 4.348 4.120 -0.000 0.000 0.267 80 V C -2.158 173.964 176.094 0.048 0.000 1.047 80 V CA -1.760 60.548 62.300 0.013 0.000 0.937 80 V CB 0.517 32.347 31.823 0.011 0.000 0.999 80 V HN 0.126 nan 8.190 nan 0.000 0.472 81 P HA 0.125 nan 4.420 nan 0.000 0.226 81 P C -0.239 177.024 177.300 -0.060 0.000 1.783 81 P CA -0.260 62.784 63.100 -0.093 0.000 0.980 81 P CB -0.573 31.058 31.700 -0.115 0.000 1.967 82 F N -0.583 119.328 119.950 -0.066 0.000 2.406 82 F HA 0.362 4.889 4.527 -0.000 0.000 0.327 82 F C 0.430 176.230 175.800 -0.000 0.000 1.153 82 F CA -1.032 56.953 58.000 -0.024 0.000 1.218 82 F CB 0.015 39.009 39.000 -0.011 0.000 1.215 82 F HN -0.130 nan 8.300 nan 0.000 0.570 83 N N 2.931 121.724 118.700 0.155 0.000 2.452 83 N HA 0.018 4.758 4.740 -0.000 0.000 0.266 83 N C 0.499 176.111 175.510 0.169 0.000 1.175 83 N CA -0.091 53.013 53.050 0.090 0.000 0.945 83 N CB 1.223 39.811 38.487 0.167 0.000 1.063 83 N HN 0.687 nan 8.380 nan 0.000 0.472 84 K N 1.283 121.681 120.400 -0.003 0.000 2.365 84 K HA -0.078 4.242 4.320 -0.000 0.000 0.199 84 K C 1.201 178.015 176.600 0.355 0.000 1.045 84 K CA 0.667 57.026 56.287 0.121 0.000 0.962 84 K CB 0.120 32.622 32.500 0.002 0.000 0.759 84 K HN 0.551 nan 8.250 nan 0.000 0.469 85 N N 0.634 119.521 118.700 0.312 0.000 2.398 85 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 85 N C -0.311 175.322 175.510 0.204 0.000 1.122 85 N CA 0.495 53.689 53.050 0.240 0.000 0.866 85 N CB 0.166 38.779 38.487 0.211 0.000 0.970 85 N HN -0.064 nan 8.380 nan 0.000 0.462 86 D N 1.575 122.132 120.400 0.261 0.000 2.443 86 D HA 0.095 4.735 4.640 -0.000 0.000 0.221 86 D C -0.075 176.327 176.300 0.170 0.000 1.097 86 D CA -0.488 53.631 54.000 0.199 0.000 0.865 86 D CB 0.206 41.129 40.800 0.204 0.000 1.034 86 D HN 0.236 nan 8.370 nan 0.000 0.511 87 N N 3.117 121.872 118.700 0.091 0.000 2.275 87 N HA -0.001 4.739 4.740 -0.000 0.000 0.236 87 N C 0.469 175.968 175.510 -0.017 0.000 1.154 87 N CA -0.175 52.888 53.050 0.022 0.000 0.866 87 N CB 0.344 38.842 38.487 0.018 0.000 1.093 87 N HN 0.177 nan 8.380 nan 0.000 0.515 88 V N -0.118 119.801 119.914 0.008 0.000 2.521 88 V HA 0.122 4.242 4.120 -0.000 0.000 0.239 88 V C 0.647 176.738 176.094 -0.005 0.000 1.053 88 V CA 0.493 62.791 62.300 -0.003 0.000 1.073 88 V CB -0.346 31.485 31.823 0.015 0.000 0.746 88 V HN 0.281 nan 8.190 nan 0.000 0.476 89 N N 1.633 120.344 118.700 0.017 0.000 2.515 89 N HA 0.316 5.056 4.740 -0.000 0.000 0.279 89 N C -2.575 172.936 175.510 0.001 0.000 1.164 89 N CA -1.161 51.899 53.050 0.017 0.000 0.982 89 N CB 0.739 39.251 38.487 0.041 0.000 1.170 89 N HN 0.203 nan 8.380 nan 0.000 0.474 90 P HA 0.148 nan 4.420 nan 0.000 0.274 90 P C 0.205 177.511 177.300 0.010 0.000 1.256 90 P CA -0.345 62.748 63.100 -0.013 0.000 0.795 90 P CB 0.866 32.557 31.700 -0.015 0.000 1.038 91 L N 2.016 123.244 121.223 0.009 0.000 2.529 91 L HA 0.002 4.342 4.340 -0.000 0.000 0.287 91 L C -0.667 176.215 176.870 0.020 0.000 1.241 91 L CA -0.797 54.052 54.840 0.016 0.000 0.857 91 L CB -0.324 41.735 42.059 -0.000 0.000 1.113 91 L HN 0.406 nan 8.230 nan 0.000 0.504 92 P HA 0.019 nan 4.420 nan 0.000 0.257 92 P C 0.526 177.891 177.300 0.109 0.000 1.325 92 P CA 0.272 63.406 63.100 0.057 0.000 0.850 92 P CB 0.363 32.082 31.700 0.032 0.000 1.324 93 E N 0.363 120.622 120.200 0.097 0.000 2.127 93 E HA 0.129 4.479 4.350 -0.000 0.000 0.191 93 E C 0.840 177.554 176.600 0.190 0.000 0.964 93 E CA 0.491 56.965 56.400 0.123 0.000 0.832 93 E CB 0.108 29.857 29.700 0.082 0.000 0.790 93 E HN 0.206 nan 8.360 nan 0.000 0.465 94 G N -1.140 107.747 108.800 0.144 0.000 3.105 94 G HA2 0.479 4.439 3.960 -0.000 0.000 0.277 94 G HA3 0.479 4.439 3.960 -0.000 0.000 0.277 94 G C -1.888 172.986 174.900 -0.043 0.000 1.375 94 G CA -0.539 44.650 45.100 0.148 0.000 0.962 94 G HN 0.212 nan 8.290 nan 0.000 0.541 95 Y N -1.055 119.020 120.300 -0.374 0.000 2.656 95 Y HA 0.352 4.902 4.550 -0.000 0.000 0.334 95 Y C 1.697 177.383 175.900 -0.356 0.000 1.179 95 Y CA -0.990 56.753 58.100 -0.596 0.000 1.050 95 Y CB 1.589 39.212 38.460 -1.394 0.000 1.308 95 Y HN 0.621 nan 8.280 nan 0.000 0.456 96 R N 0.227 120.104 120.500 -1.038 0.000 2.115 96 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 96 R C -0.656 175.242 176.300 -0.671 0.000 1.111 96 R CA 1.370 56.983 56.100 -0.813 0.000 0.976 96 R CB -0.466 29.262 30.300 -0.953 0.000 0.870 96 R HN 0.591 nan 8.270 nan 0.000 0.445 97 H N 0.641 119.373 119.070 -0.563 0.000 2.746 97 H HA 0.571 5.127 4.556 -0.000 0.000 0.269 97 H C -0.452 175.031 175.328 0.258 0.000 1.248 97 H CA -0.381 55.591 56.048 -0.127 0.000 1.258 97 H CB 1.217 30.734 29.762 -0.409 0.000 1.441 97 H HN 0.393 nan 8.280 nan 0.000 0.508 98 A N 2.494 125.596 122.820 0.471 0.000 2.486 98 A HA 0.481 4.801 4.320 -0.000 0.000 0.289 98 A C -0.843 176.999 177.584 0.430 0.000 1.176 98 A CA -1.029 51.329 52.037 0.535 0.000 0.757 98 A CB 1.497 20.736 19.000 0.398 0.000 1.337 98 A HN 0.671 nan 8.150 nan 0.000 0.423 99 Q N 0.799 120.790 119.800 0.318 0.000 2.571 99 Q HA 0.286 4.626 4.340 -0.000 0.000 0.243 99 Q C -2.058 173.966 176.000 0.040 0.000 1.055 99 Q CA -1.834 54.037 55.803 0.113 0.000 0.815 99 Q CB 1.618 30.408 28.738 0.085 0.000 1.151 99 Q HN 0.489 nan 8.270 nan 0.000 0.519 100 P HA -0.180 nan 4.420 nan 0.000 0.230 100 P C 0.123 177.332 177.300 -0.152 0.000 1.158 100 P CA 1.192 64.228 63.100 -0.105 0.000 0.769 100 P CB 0.162 31.734 31.700 -0.213 0.000 0.807 101 Y N -0.986 119.236 120.300 -0.130 0.000 2.457 101 Y HA 0.177 4.727 4.550 -0.000 0.000 0.263 101 Y C 2.286 178.054 175.900 -0.220 0.000 1.164 101 Y CA -0.476 57.520 58.100 -0.174 0.000 1.274 101 Y CB -0.094 38.235 38.460 -0.217 0.000 1.097 101 Y HN -0.210 nan 8.280 nan 0.000 0.523 102 L N -0.002 121.157 121.223 -0.106 0.000 2.012 102 L HA -0.297 4.043 4.340 -0.000 0.000 0.210 102 L C 2.143 178.894 176.870 -0.198 0.000 1.073 102 L CA 1.711 56.319 54.840 -0.386 0.000 0.748 102 L CB -0.405 41.489 42.059 -0.276 0.000 0.891 102 L HN 0.233 nan 8.230 nan 0.000 0.431 103 K N -0.017 120.435 120.400 0.088 0.000 2.103 103 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 103 K C 1.787 178.516 176.600 0.215 0.000 1.048 103 K CA 1.718 58.131 56.287 0.210 0.000 0.930 103 K CB -0.254 32.375 32.500 0.214 0.000 0.716 103 K HN 0.342 nan 8.250 nan 0.000 0.444 104 N N 0.897 119.699 118.700 0.171 0.000 2.120 104 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 104 N C 1.638 177.408 175.510 0.432 0.000 1.024 104 N CA 0.996 54.205 53.050 0.265 0.000 0.852 104 N CB -0.112 38.416 38.487 0.068 0.000 1.003 104 N HN 0.077 nan 8.380 nan 0.000 0.424 105 L N -1.334 120.009 121.223 0.200 0.000 2.270 105 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 105 L C 0.714 177.871 176.870 0.477 0.000 1.104 105 L CA 0.426 55.397 54.840 0.218 0.000 0.804 105 L CB -0.004 42.119 42.059 0.108 0.000 0.937 105 L HN 0.312 nan 8.230 nan 0.000 0.450 106 W N 0.028 121.568 121.300 0.400 0.000 3.067 106 W HA 0.321 4.981 4.660 -0.000 0.000 0.417 106 W C 0.089 176.657 176.519 0.081 0.000 1.029 106 W CA -1.558 55.929 57.345 0.236 0.000 1.992 106 W CB -0.605 28.907 29.460 0.086 0.000 1.122 106 W HN -0.064 nan 8.180 nan 0.000 0.681 107 L N 1.465 122.866 121.223 0.296 0.000 2.578 107 L HA 0.288 4.628 4.340 -0.000 0.000 0.279 107 L C 1.491 178.366 176.870 0.009 0.000 1.227 107 L CA 2.221 57.109 54.840 0.079 0.000 0.900 107 L CB 0.428 42.486 42.059 -0.001 0.000 1.144 107 L HN 0.469 nan 8.230 nan 0.000 0.496 108 G N 2.208 110.997 108.800 -0.017 0.000 2.162 108 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 108 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 108 G C -0.318 174.509 174.900 -0.122 0.000 0.976 108 G CA 0.350 45.452 45.100 0.004 0.000 0.655 108 G HN 0.719 nan 8.290 nan 0.000 0.533 109 Y N -0.095 119.881 120.300 -0.541 0.000 2.524 109 Y HA 0.605 5.155 4.550 -0.000 0.000 0.344 109 Y C -1.816 173.821 175.900 -0.437 0.000 1.012 109 Y CA -2.132 55.523 58.100 -0.743 0.000 1.068 109 Y CB 1.987 39.490 38.460 -1.595 0.000 1.249 109 Y HN -0.058 nan 8.280 nan 0.000 0.468 110 P HA -0.156 nan 4.420 nan 0.000 0.219 110 P C 1.098 178.231 177.300 -0.278 0.000 1.146 110 P CA 1.622 64.492 63.100 -0.383 0.000 0.808 110 P CB -0.003 31.474 31.700 -0.371 0.000 0.779 111 F N -0.554 119.127 119.950 -0.449 0.000 2.494 111 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 111 F C 2.131 177.980 175.800 0.082 0.000 1.106 111 F CA 1.027 58.899 58.000 -0.214 0.000 1.452 111 F CB -1.108 37.505 39.000 -0.645 0.000 1.085 111 F HN -0.032 nan 8.300 nan 0.000 0.569 112 M N -2.291 117.355 119.600 0.077 0.000 2.476 112 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 112 M C 1.226 177.521 176.300 -0.008 0.000 1.079 112 M CA 1.712 57.048 55.300 0.060 0.000 1.104 112 M CB -0.791 31.769 32.600 -0.067 0.000 1.409 112 M HN 0.145 nan 8.290 nan 0.000 0.467 113 Y N 0.559 120.925 120.300 0.109 0.000 2.231 113 Y HA 0.266 4.816 4.550 -0.000 0.000 0.294 113 Y C 0.733 176.681 175.900 0.080 0.000 1.120 113 Y CA 0.313 58.449 58.100 0.060 0.000 1.141 113 Y CB 0.398 38.851 38.460 -0.012 0.000 1.022 113 Y HN 0.306 nan 8.280 nan 0.000 0.523 114 E N -0.924 119.412 120.200 0.227 0.000 2.347 114 E HA 0.229 4.579 4.350 -0.000 0.000 0.285 114 E C -2.208 174.508 176.600 0.194 0.000 0.925 114 E CA -0.709 55.797 56.400 0.178 0.000 0.779 114 E CB 1.819 31.581 29.700 0.104 0.000 1.233 114 E HN 0.032 nan 8.360 nan 0.000 0.414 115 Y N 3.872 124.233 120.300 0.101 0.000 2.358 115 Y HA 0.497 5.047 4.550 -0.000 0.000 0.324 115 Y C -1.686 174.271 175.900 0.095 0.000 1.123 115 Y CA -0.478 57.688 58.100 0.111 0.000 1.067 115 Y CB 1.063 39.732 38.460 0.347 0.000 1.230 115 Y HN 0.538 nan 8.280 nan 0.000 0.429 116 R N 2.543 122.816 120.500 -0.379 0.000 2.892 116 R HA 0.414 4.754 4.340 -0.000 0.000 0.265 116 R C -1.128 174.833 176.300 -0.564 0.000 1.025 116 R CA -1.449 54.392 56.100 -0.432 0.000 0.982 116 R CB 1.635 31.811 30.300 -0.208 0.000 1.185 116 R HN 0.661 nan 8.270 nan 0.000 0.484 117 E N 1.299 121.146 120.200 -0.588 0.000 2.344 117 E HA 0.242 4.592 4.350 -0.000 0.000 0.270 117 E C -0.857 175.619 176.600 -0.206 0.000 1.021 117 E CA -0.144 55.975 56.400 -0.467 0.000 0.887 117 E CB 0.970 30.288 29.700 -0.636 0.000 0.997 117 E HN 0.595 nan 8.360 nan 0.000 0.429 118 A N 5.182 127.954 122.820 -0.081 0.000 2.483 118 A HA 0.418 4.738 4.320 -0.000 0.000 0.238 118 A C 0.261 177.863 177.584 0.030 0.000 1.070 118 A CA 0.306 52.353 52.037 0.017 0.000 0.770 118 A CB 0.118 19.173 19.000 0.091 0.000 1.008 118 A HN 0.840 nan 8.150 nan 0.000 0.497 119 R N 1.174 121.715 120.500 0.067 0.000 3.176 119 R HA 0.705 5.045 4.340 -0.000 0.000 0.247 119 R C 0.500 176.906 176.300 0.177 0.000 1.382 119 R CA -0.366 55.792 56.100 0.097 0.000 1.040 119 R CB -0.024 30.300 30.300 0.040 0.000 1.426 119 R HN 0.847 nan 8.270 nan 0.000 0.485 120 G N -0.547 108.413 108.800 0.265 0.000 2.559 120 G HA2 0.031 3.991 3.960 -0.000 0.000 0.235 120 G HA3 0.031 3.991 3.960 -0.000 0.000 0.235 120 G C -0.011 175.047 174.900 0.264 0.000 1.266 120 G CA -0.266 44.975 45.100 0.235 0.000 0.847 120 G HN 0.711 nan 8.290 nan 0.000 0.583 121 H N -0.103 119.129 119.070 0.269 0.000 2.489 121 H HA -0.137 4.419 4.556 -0.000 0.000 0.295 121 H C 2.691 178.099 175.328 0.134 0.000 1.082 121 H CA 1.445 57.616 56.048 0.205 0.000 1.295 121 H CB 0.274 30.196 29.762 0.266 0.000 1.380 121 H HN 0.605 nan 8.280 nan 0.000 0.548 122 T N -1.748 112.868 114.554 0.103 0.000 3.035 122 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 122 T C 1.030 175.633 174.700 -0.161 0.000 1.109 122 T CA 0.828 62.840 62.100 -0.147 0.000 1.119 122 T CB -0.224 68.356 68.868 -0.479 0.000 0.900 122 T HN 0.374 nan 8.240 nan 0.000 0.503 123 Y N 0.725 121.089 120.300 0.107 0.000 2.485 123 Y HA 0.679 5.228 4.550 -0.000 0.000 0.260 123 Y C 2.388 178.370 175.900 0.137 0.000 1.173 123 Y CA -0.776 57.390 58.100 0.109 0.000 1.252 123 Y CB -0.434 38.078 38.460 0.086 0.000 1.123 123 Y HN 0.271 nan 8.280 nan 0.000 0.524 124 A N 0.531 123.507 122.820 0.260 0.000 1.883 124 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 124 A C 2.105 179.815 177.584 0.210 0.000 1.186 124 A CA 1.854 54.013 52.037 0.203 0.000 0.624 124 A CB -0.710 18.368 19.000 0.129 0.000 0.822 124 A HN 0.481 nan 8.150 nan 0.000 0.444 125 I N -0.955 119.756 120.570 0.234 0.000 2.439 125 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 125 I C 2.764 179.091 176.117 0.351 0.000 1.139 125 I CA 1.390 62.883 61.300 0.321 0.000 1.438 125 I CB -0.254 37.955 38.000 0.349 0.000 1.085 125 I HN 0.520 nan 8.210 nan 0.000 0.427 126 Q N 0.902 120.892 119.800 0.316 0.000 2.084 126 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 126 Q C 1.608 177.816 176.000 0.346 0.000 0.978 126 Q CA 1.774 57.781 55.803 0.340 0.000 0.844 126 Q CB 0.110 29.050 28.738 0.336 0.000 0.898 126 Q HN 0.435 nan 8.270 nan 0.000 0.426 127 D N -0.058 120.512 120.400 0.285 0.000 2.117 127 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 127 D C 1.567 177.990 176.300 0.204 0.000 0.982 127 D CA 0.683 54.812 54.000 0.213 0.000 0.828 127 D CB -0.402 40.496 40.800 0.164 0.000 0.967 127 D HN 0.222 nan 8.370 nan 0.000 0.464 128 F N 1.268 121.241 119.950 0.038 0.000 2.120 128 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 128 F C 1.946 177.681 175.800 -0.110 0.000 1.095 128 F CA 1.197 59.152 58.000 -0.076 0.000 1.249 128 F CB -0.199 38.718 39.000 -0.140 0.000 0.995 128 F HN -0.092 nan 8.300 nan 0.000 0.480 129 L N -1.217 119.992 121.223 -0.025 0.000 2.592 129 L HA -0.004 4.336 4.340 -0.000 0.000 0.227 129 L C 1.235 177.894 176.870 -0.351 0.000 1.127 129 L CA 0.195 54.907 54.840 -0.214 0.000 0.884 129 L CB -0.403 41.616 42.059 -0.068 0.000 1.065 129 L HN 0.189 nan 8.230 nan 0.000 0.457 130 H N -1.062 117.979 119.070 -0.048 0.000 2.893 130 H HA 0.262 4.818 4.556 -0.000 0.000 0.270 130 H C 0.198 175.490 175.328 -0.060 0.000 1.095 130 H CA -0.411 55.616 56.048 -0.036 0.000 1.186 130 H CB 1.411 31.178 29.762 0.007 0.000 1.562 130 H HN 0.120 nan 8.280 nan 0.000 0.536 131 I N 2.184 122.732 120.570 -0.037 0.000 2.556 131 I HA -0.096 4.074 4.170 -0.000 0.000 0.284 131 I C 1.368 177.424 176.117 -0.102 0.000 1.114 131 I CA 0.277 61.538 61.300 -0.066 0.000 1.418 131 I CB 0.909 38.849 38.000 -0.100 0.000 1.394 131 I HN -0.037 nan 8.210 nan 0.000 0.552 132 D N 4.993 125.369 120.400 -0.040 0.000 2.348 132 D HA -0.070 4.570 4.640 -0.000 0.000 0.216 132 D C 1.829 178.079 176.300 -0.082 0.000 0.970 132 D CA 1.030 55.005 54.000 -0.042 0.000 0.889 132 D CB 0.276 41.087 40.800 0.018 0.000 0.912 132 D HN 0.493 nan 8.370 nan 0.000 0.524 133 R N -0.282 120.171 120.500 -0.078 0.000 2.120 133 R HA -0.015 4.324 4.340 -0.000 0.000 0.234 133 R C 0.572 176.790 176.300 -0.135 0.000 1.123 133 R CA 0.561 56.611 56.100 -0.084 0.000 0.975 133 R CB -0.091 30.070 30.300 -0.233 0.000 0.866 133 R HN 0.276 nan 8.270 nan 0.000 0.446 134 I N 2.145 122.588 120.570 -0.210 0.000 2.395 134 I HA 0.002 4.172 4.170 -0.000 0.000 0.289 134 I C 0.269 176.284 176.117 -0.170 0.000 1.023 134 I CA -0.629 60.531 61.300 -0.234 0.000 1.350 134 I CB 0.776 38.535 38.000 -0.402 0.000 1.409 134 I HN -0.063 nan 8.210 nan 0.000 0.507 135 N N 5.586 124.217 118.700 -0.115 0.000 2.438 135 N HA 0.080 4.820 4.740 -0.000 0.000 0.267 135 N C 0.319 175.829 175.510 -0.001 0.000 1.222 135 N CA 0.448 53.478 53.050 -0.034 0.000 0.930 135 N CB 0.465 38.953 38.487 0.001 0.000 1.083 135 N HN 0.429 nan 8.380 nan 0.000 0.476 136 R N 2.732 123.249 120.500 0.028 0.000 2.472 136 R HA 0.126 4.466 4.340 -0.000 0.000 0.279 136 R C -0.043 176.133 176.300 -0.207 0.000 0.953 136 R CA 0.092 56.170 56.100 -0.038 0.000 1.088 136 R CB 0.420 30.620 30.300 -0.168 0.000 1.197 136 R HN 0.576 nan 8.270 nan 0.000 0.536 137 Y N -0.234 120.077 120.300 0.019 0.000 2.555 137 Y HA 0.469 5.019 4.550 -0.000 0.000 0.259 137 Y C 0.600 176.503 175.900 0.004 0.000 1.179 137 Y CA -0.409 57.686 58.100 -0.008 0.000 1.230 137 Y CB 1.024 39.454 38.460 -0.051 0.000 1.146 137 Y HN 0.017 nan 8.280 nan 0.000 0.526 138 A N -0.853 122.049 122.820 0.137 0.000 2.568 138 A HA 0.498 4.818 4.320 -0.000 0.000 0.291 138 A C 0.521 178.201 177.584 0.161 0.000 1.159 138 A CA -0.600 51.499 52.037 0.103 0.000 0.679 138 A CB 0.931 19.985 19.000 0.089 0.000 1.285 138 A HN -0.015 nan 8.150 nan 0.000 0.428 139 E N 0.512 120.791 120.200 0.131 0.000 2.072 139 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 139 E C -0.095 176.657 176.600 0.253 0.000 0.982 139 E CA 0.902 57.441 56.400 0.231 0.000 0.803 139 E CB -0.044 29.719 29.700 0.106 0.000 0.755 139 E HN 0.455 nan 8.360 nan 0.000 0.453 140 K N 0.587 121.063 120.400 0.126 0.000 2.276 140 K HA 0.185 4.505 4.320 -0.000 0.000 0.283 140 K C 1.146 177.772 176.600 0.043 0.000 1.044 140 K CA 0.063 56.392 56.287 0.069 0.000 0.944 140 K CB 1.349 33.874 32.500 0.042 0.000 1.012 140 K HN 0.037 nan 8.250 nan 0.000 0.472 141 G N 1.454 110.246 108.800 -0.014 0.000 2.443 141 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.219 141 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.219 141 G C 0.968 175.843 174.900 -0.042 0.000 1.131 141 G CA 0.689 45.747 45.100 -0.071 0.000 0.775 141 G HN 0.904 nan 8.290 nan 0.000 0.547 142 G N -1.379 107.415 108.800 -0.009 0.000 2.157 142 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 142 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 142 G C 0.086 175.001 174.900 0.025 0.000 0.979 142 G CA 0.388 45.495 45.100 0.012 0.000 0.650 142 G HN 0.578 nan 8.290 nan 0.000 0.529 143 L N 0.757 121.989 121.223 0.016 0.000 2.393 143 L HA 0.590 4.930 4.340 -0.000 0.000 0.260 143 L C -2.134 174.763 176.870 0.044 0.000 1.002 143 L CA -2.611 52.262 54.840 0.056 0.000 0.818 143 L CB 2.864 44.948 42.059 0.043 0.000 1.369 143 L HN -0.119 nan 8.230 nan 0.000 0.412 144 P HA 0.071 nan 4.420 nan 0.000 0.274 144 P C -0.066 177.212 177.300 -0.036 0.000 1.231 144 P CA -0.312 62.768 63.100 -0.032 0.000 0.790 144 P CB 1.172 32.788 31.700 -0.139 0.000 0.951 145 A N 2.248 125.010 122.820 -0.097 0.000 2.172 145 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 145 A C 1.906 179.558 177.584 0.115 0.000 1.154 145 A CA 1.616 53.612 52.037 -0.068 0.000 0.701 145 A CB -1.698 16.912 19.000 -0.650 0.000 0.789 145 A HN 0.585 nan 8.150 nan 0.000 0.465 146 T N -0.660 113.939 114.554 0.076 0.000 2.822 146 T HA -0.233 4.117 4.350 -0.000 0.000 0.270 146 T C 1.710 176.499 174.700 0.149 0.000 1.064 146 T CA 1.527 63.748 62.100 0.203 0.000 1.131 146 T CB -0.860 67.709 68.868 -0.498 0.000 0.858 146 T HN 0.622 nan 8.240 nan 0.000 0.483 147 C N 0.009 119.379 119.300 0.117 0.000 2.401 147 C HA -0.101 4.359 4.460 -0.000 0.000 0.286 147 C C 2.179 177.123 174.990 -0.076 0.000 1.332 147 C CA -0.117 58.998 59.018 0.163 0.000 1.795 147 C CB -1.658 26.233 27.740 0.251 0.000 1.922 147 C HN 0.728 nan 8.230 nan 0.000 0.520 148 W N 0.759 122.120 121.300 0.101 0.000 2.800 148 W HA 0.022 4.682 4.660 -0.000 0.000 0.249 148 W C 2.210 178.697 176.519 -0.053 0.000 1.294 148 W CA 0.620 57.939 57.345 -0.044 0.000 1.402 148 W CB -0.644 28.975 29.460 0.265 0.000 1.126 148 W HN 0.363 nan 8.180 nan 0.000 0.652 149 N N -0.193 118.654 118.700 0.244 0.000 2.184 149 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 149 N C 0.608 176.132 175.510 0.025 0.000 1.011 149 N CA 1.576 54.736 53.050 0.183 0.000 0.867 149 N CB -0.294 38.336 38.487 0.238 0.000 0.993 149 N HN -0.036 nan 8.380 nan 0.000 0.433 150 C N -0.338 118.929 119.300 -0.055 0.000 2.741 150 C HA 0.431 4.891 4.460 -0.000 0.000 0.267 150 C C 0.934 175.823 174.990 -0.169 0.000 1.549 150 C CA -0.717 58.227 59.018 -0.124 0.000 1.772 150 C CB -0.324 27.324 27.740 -0.153 0.000 2.962 150 C HN 0.272 nan 8.230 nan 0.000 0.514 151 K N 0.120 120.434 120.400 -0.143 0.000 2.464 151 K HA 0.213 4.533 4.320 -0.000 0.000 0.206 151 K C 0.383 176.954 176.600 -0.049 0.000 1.186 151 K CA 0.559 56.760 56.287 -0.143 0.000 0.990 151 K CB 1.010 33.319 32.500 -0.317 0.000 1.003 151 K HN 0.342 nan 8.250 nan 0.000 0.562 152 T N 1.550 116.060 114.554 -0.074 0.000 3.097 152 T HA 0.240 4.590 4.350 -0.000 0.000 0.332 152 T C -2.699 171.865 174.700 -0.227 0.000 1.269 152 T CA -1.238 60.788 62.100 -0.122 0.000 1.076 152 T CB 1.827 70.604 68.868 -0.152 0.000 1.209 152 T HN -0.216 nan 8.240 nan 0.000 0.474 153 P HA 0.085 nan 4.420 nan 0.000 0.242 153 P C 1.212 178.269 177.300 -0.405 0.000 1.197 153 P CA 0.117 63.070 63.100 -0.245 0.000 0.765 153 P CB 0.227 31.838 31.700 -0.148 0.000 0.936 154 K N -0.307 119.725 120.400 -0.614 0.000 2.286 154 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 154 K C 1.904 177.762 176.600 -1.236 0.000 1.045 154 K CA 0.915 56.534 56.287 -1.113 0.000 0.935 154 K CB -0.474 31.013 32.500 -1.689 0.000 0.737 154 K HN 0.204 nan 8.250 nan 0.000 0.460 155 M N -0.118 118.992 119.600 -0.818 0.000 2.149 155 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 155 M C 2.120 178.096 176.300 -0.540 0.000 1.064 155 M CA 1.462 56.386 55.300 -0.627 0.000 1.102 155 M CB -0.627 31.747 32.600 -0.376 0.000 1.369 155 M HN 0.170 nan 8.290 nan 0.000 0.408 156 M N -0.256 119.090 119.600 -0.423 0.000 2.159 156 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 156 M C 2.012 178.143 176.300 -0.281 0.000 1.063 156 M CA 1.713 56.834 55.300 -0.298 0.000 1.110 156 M CB -0.439 32.031 32.600 -0.218 0.000 1.374 156 M HN 0.322 nan 8.290 nan 0.000 0.411 157 E N -0.687 119.313 120.200 -0.334 0.000 2.170 157 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 157 E C 1.688 178.217 176.600 -0.118 0.000 0.981 157 E CA 0.594 56.862 56.400 -0.221 0.000 0.830 157 E CB -0.359 29.209 29.700 -0.219 0.000 0.775 157 E HN 0.480 nan 8.360 nan 0.000 0.470 158 W N 1.417 122.478 121.300 -0.399 0.000 2.374 158 W HA -0.023 4.637 4.660 -0.000 0.000 0.288 158 W C 2.167 178.353 176.519 -0.555 0.000 1.218 158 W CA 0.322 57.377 57.345 -0.483 0.000 1.245 158 W CB -0.571 28.383 29.460 -0.842 0.000 1.126 158 W HN 0.019 nan 8.180 nan 0.000 0.545 159 V N -0.072 119.574 119.914 -0.448 0.000 2.725 159 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 159 V C 2.302 178.276 176.094 -0.200 0.000 1.058 159 V CA 1.560 63.590 62.300 -0.449 0.000 1.080 159 V CB -0.472 31.032 31.823 -0.532 0.000 0.713 159 V HN 0.015 nan 8.190 nan 0.000 0.465 160 K N 0.878 121.186 120.400 -0.153 0.000 2.097 160 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 160 K C 2.156 178.730 176.600 -0.043 0.000 1.049 160 K CA 1.951 58.188 56.287 -0.084 0.000 0.933 160 K CB -0.021 32.431 32.500 -0.080 0.000 0.717 160 K HN 0.762 nan 8.250 nan 0.000 0.442 161 E N -1.102 119.085 120.200 -0.022 0.000 2.112 161 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 161 E C 1.443 178.056 176.600 0.022 0.000 0.979 161 E CA 1.162 57.573 56.400 0.017 0.000 0.814 161 E CB 0.156 29.892 29.700 0.061 0.000 0.762 161 E HN 0.030 nan 8.360 nan 0.000 0.460 162 S N -0.341 115.371 115.700 0.019 0.000 2.505 162 S HA 0.308 4.778 4.470 -0.000 0.000 0.216 162 S C 0.934 175.540 174.600 0.011 0.000 1.018 162 S CA 0.240 58.464 58.200 0.039 0.000 0.911 162 S CB 0.737 64.010 63.200 0.122 0.000 0.818 162 S HN 0.650 nan 8.310 nan 0.000 0.497 163 G N 2.537 111.317 108.800 -0.033 0.000 2.596 163 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.295 163 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.295 163 G C 0.113 175.013 174.900 0.001 0.000 1.240 163 G CA 0.535 45.627 45.100 -0.014 0.000 0.985 163 G HN 0.346 nan 8.290 nan 0.000 0.555 164 D N 0.998 121.458 120.400 0.100 0.000 2.263 164 D HA 0.023 4.662 4.640 -0.000 0.000 0.208 164 D C 2.424 178.843 176.300 0.198 0.000 0.971 164 D CA 1.769 55.903 54.000 0.223 0.000 0.867 164 D CB -0.820 40.091 40.800 0.186 0.000 0.929 164 D HN 0.713 nan 8.370 nan 0.000 0.492 165 G N -0.488 108.368 108.800 0.093 0.000 2.650 165 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.214 165 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.214 165 G C 1.281 176.193 174.900 0.020 0.000 1.136 165 G CA -0.201 44.939 45.100 0.067 0.000 0.789 165 G HN 0.224 nan 8.290 nan 0.000 0.536 166 F N 0.823 120.646 119.950 -0.211 0.000 2.051 166 F HA -0.077 4.450 4.527 -0.000 0.000 0.296 166 F C 2.320 177.989 175.800 -0.218 0.000 1.122 166 F CA 1.552 59.356 58.000 -0.326 0.000 1.201 166 F CB -0.347 38.243 39.000 -0.684 0.000 0.978 166 F HN 0.241 nan 8.300 nan 0.000 0.472 167 W N 0.458 121.761 121.300 0.005 0.000 2.321 167 W HA -0.198 4.462 4.660 -0.000 0.000 0.306 167 W C 2.545 178.919 176.519 -0.242 0.000 1.217 167 W CA 1.304 58.577 57.345 -0.120 0.000 1.257 167 W CB -1.051 28.409 29.460 0.001 0.000 1.145 167 W HN 0.135 nan 8.180 nan 0.000 0.509 168 A N 0.023 122.884 122.820 0.068 0.000 2.169 168 A HA 0.030 4.350 4.320 -0.000 0.000 0.212 168 A C 1.035 178.595 177.584 -0.041 0.000 1.153 168 A CA 0.144 52.197 52.037 0.027 0.000 0.756 168 A CB -0.456 18.587 19.000 0.071 0.000 0.813 168 A HN 0.130 nan 8.150 nan 0.000 0.471 169 K N 0.836 121.162 120.400 -0.122 0.000 2.455 169 K HA 0.043 4.363 4.320 -0.000 0.000 0.269 169 K C -0.437 176.114 176.600 -0.082 0.000 0.972 169 K CA 0.141 56.358 56.287 -0.117 0.000 0.938 169 K CB 0.224 32.634 32.500 -0.149 0.000 0.931 169 K HN 0.358 nan 8.250 nan 0.000 0.507 170 D N 0.614 120.985 120.400 -0.049 0.000 2.382 170 D HA -0.053 4.587 4.640 -0.000 0.000 0.245 170 D C 0.961 177.284 176.300 0.038 0.000 1.120 170 D CA -0.016 53.975 54.000 -0.015 0.000 0.890 170 D CB 1.221 42.010 40.800 -0.018 0.000 1.201 170 D HN 0.214 nan 8.370 nan 0.000 0.433 171 V N 4.112 124.058 119.914 0.053 0.000 2.332 171 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 171 V C 1.402 177.640 176.094 0.241 0.000 1.055 171 V CA 1.922 64.315 62.300 0.154 0.000 1.038 171 V CB -0.578 31.225 31.823 -0.033 0.000 0.651 171 V HN 0.604 nan 8.190 nan 0.000 0.450 172 N N 0.148 118.842 118.700 -0.010 0.000 2.520 172 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 172 N C 1.610 177.037 175.510 -0.137 0.000 1.068 172 N CA 1.014 53.957 53.050 -0.179 0.000 0.911 172 N CB -0.277 38.017 38.487 -0.322 0.000 0.961 172 N HN 0.666 nan 8.380 nan 0.000 0.446 173 E N -0.810 119.316 120.200 -0.123 0.000 2.265 173 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 173 E C 0.233 176.409 176.600 -0.707 0.000 0.996 173 E CA 0.778 56.935 56.400 -0.405 0.000 0.832 173 E CB -0.057 29.296 29.700 -0.579 0.000 0.756 173 E HN 0.419 nan 8.360 nan 0.000 0.491 174 F N -0.809 118.996 119.950 -0.242 0.000 2.661 174 F HA 0.258 4.785 4.527 -0.000 0.000 0.306 174 F C 1.922 177.595 175.800 -0.213 0.000 1.094 174 F CA -0.437 57.261 58.000 -0.503 0.000 1.254 174 F CB 0.299 38.496 39.000 -1.339 0.000 1.040 174 F HN -0.187 nan 8.300 nan 0.000 0.562 175 R N 1.237 121.792 120.500 0.092 0.000 2.073 175 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 175 R C 0.755 177.109 176.300 0.091 0.000 1.134 175 R CA 2.100 58.260 56.100 0.100 0.000 0.952 175 R CB -0.330 29.668 30.300 -0.503 0.000 0.850 175 R HN 0.329 nan 8.270 nan 0.000 0.433 176 D N -0.191 120.256 120.400 0.078 0.000 2.105 176 D HA -0.013 4.627 4.640 -0.000 0.000 0.277 176 D C 0.009 176.388 176.300 0.132 0.000 1.144 176 D CA -0.155 53.938 54.000 0.156 0.000 1.004 176 D CB -0.121 40.789 40.800 0.184 0.000 1.150 176 D HN -0.000 nan 8.370 nan 0.000 0.494 177 K N -1.651 118.825 120.400 0.126 0.000 3.185 177 K HA -0.216 4.104 4.320 -0.000 0.000 0.298 177 K C -0.576 176.167 176.600 0.238 0.000 1.178 177 K CA 0.624 57.002 56.287 0.150 0.000 0.882 177 K CB -1.423 31.126 32.500 0.081 0.000 1.218 177 K HN 0.505 nan 8.250 nan 0.000 0.454 178 I N -0.071 120.634 120.570 0.225 0.000 2.775 178 I HA 0.145 4.315 4.170 -0.000 0.000 0.295 178 I C -1.393 174.918 176.117 0.324 0.000 1.287 178 I CA -0.793 60.666 61.300 0.264 0.000 1.029 178 I CB 1.796 39.907 38.000 0.184 0.000 1.282 178 I HN -0.093 nan 8.210 nan 0.000 0.426 179 D N 7.230 127.924 120.400 0.490 0.000 2.316 179 D HA 0.133 4.773 4.640 -0.000 0.000 0.245 179 D C 0.830 177.228 176.300 0.162 0.000 1.171 179 D CA -0.144 53.966 54.000 0.182 0.000 0.856 179 D CB 1.539 42.261 40.800 -0.129 0.000 1.090 179 D HN 0.683 nan 8.370 nan 0.000 0.476 180 M N 4.353 124.056 119.600 0.172 0.000 2.149 180 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 180 M C 1.229 177.612 176.300 0.138 0.000 1.064 180 M CA 1.446 56.859 55.300 0.190 0.000 1.102 180 M CB 0.304 33.020 32.600 0.194 0.000 1.369 180 M HN 0.131 nan 8.290 nan 0.000 0.408 181 K N -0.640 119.809 120.400 0.082 0.000 2.202 181 K HA -0.006 4.314 4.320 -0.000 0.000 0.201 181 K C 1.383 178.016 176.600 0.055 0.000 1.051 181 K CA 1.010 57.335 56.287 0.063 0.000 0.977 181 K CB -0.247 32.282 32.500 0.048 0.000 0.792 181 K HN 0.305 nan 8.250 nan 0.000 0.469 182 D N -0.040 120.329 120.400 -0.051 0.000 2.323 182 D HA -0.023 4.617 4.640 -0.000 0.000 0.209 182 D C 0.674 176.867 176.300 -0.177 0.000 0.973 182 D CA 0.852 54.765 54.000 -0.144 0.000 0.874 182 D CB 0.233 40.845 40.800 -0.314 0.000 0.930 182 D HN 0.332 nan 8.370 nan 0.000 0.521 183 H N -1.475 117.636 119.070 0.068 0.000 2.674 183 H HA 0.210 4.766 4.556 -0.000 0.000 0.274 183 H C 0.226 175.568 175.328 0.023 0.000 1.121 183 H CA -0.216 55.837 56.048 0.009 0.000 1.132 183 H CB 0.539 30.269 29.762 -0.052 0.000 1.606 183 H HN -0.074 nan 8.280 nan 0.000 0.558 184 T N 0.112 114.765 114.554 0.164 0.000 2.802 184 T HA 0.119 4.469 4.350 -0.000 0.000 0.305 184 T C 0.784 175.541 174.700 0.095 0.000 1.053 184 T CA -0.716 61.470 62.100 0.142 0.000 1.058 184 T CB 1.058 70.026 68.868 0.167 0.000 0.988 184 T HN 0.121 nan 8.240 nan 0.000 0.539 185 I N 2.094 122.685 120.570 0.035 0.000 3.148 185 I HA 0.229 4.399 4.170 -0.000 0.000 0.317 185 I C 1.208 177.350 176.117 0.041 0.000 1.237 185 I CA 0.822 62.084 61.300 -0.064 0.000 1.423 185 I CB -1.087 36.773 38.000 -0.233 0.000 1.352 185 I HN 0.950 nan 8.210 nan 0.000 0.526 186 G N 3.849 112.597 108.800 -0.087 0.000 2.634 186 G HA2 0.278 4.238 3.960 -0.000 0.000 0.309 186 G HA3 0.278 4.238 3.960 -0.000 0.000 0.309 186 G C 0.375 175.089 174.900 -0.309 0.000 1.299 186 G CA -0.182 44.795 45.100 -0.205 0.000 0.798 186 G HN 0.566 nan 8.290 nan 0.000 0.490 187 C N 0.580 119.563 119.300 -0.529 0.000 2.403 187 C HA 0.120 4.580 4.460 -0.000 0.000 0.279 187 C C 3.260 177.942 174.990 -0.512 0.000 1.269 187 C CA 1.645 60.233 59.018 -0.716 0.000 1.774 187 C CB -1.437 25.294 27.740 -1.681 0.000 1.993 187 C HN 0.838 nan 8.230 nan 0.000 0.496 188 A N 0.556 123.158 122.820 -0.362 0.000 2.119 188 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 188 A C 2.132 179.651 177.584 -0.107 0.000 1.152 188 A CA 1.813 53.794 52.037 -0.095 0.000 0.708 188 A CB -0.832 18.199 19.000 0.051 0.000 0.805 188 A HN 0.567 nan 8.150 nan 0.000 0.460 189 T N -1.247 113.209 114.554 -0.162 0.000 2.803 189 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 189 T C 1.472 176.060 174.700 -0.187 0.000 1.052 189 T CA 1.803 63.796 62.100 -0.179 0.000 1.136 189 T CB -0.351 68.382 68.868 -0.225 0.000 0.864 189 T HN 0.584 nan 8.240 nan 0.000 0.467 190 C N -0.510 118.661 119.300 -0.214 0.000 3.580 190 C HA 0.306 4.766 4.460 -0.000 0.000 0.337 190 C C 0.410 175.168 174.990 -0.387 0.000 1.412 190 C CA -0.673 58.161 59.018 -0.306 0.000 1.797 190 C CB -0.134 27.366 27.740 -0.401 0.000 2.470 190 C HN 0.497 nan 8.230 nan 0.000 0.691 191 H N 1.156 120.160 119.070 -0.111 0.000 2.538 191 H HA 0.269 4.825 4.556 -0.000 0.000 0.353 191 H C -1.309 174.019 175.328 0.001 0.000 1.109 191 H CA -0.252 55.753 56.048 -0.071 0.000 1.192 191 H CB 1.377 31.053 29.762 -0.144 0.000 1.555 191 H HN 0.208 nan 8.280 nan 0.000 0.518 192 D N 3.785 124.280 120.400 0.157 0.000 2.450 192 D HA 0.026 4.666 4.640 -0.000 0.000 0.247 192 D C -1.493 174.933 176.300 0.211 0.000 1.162 192 D CA -1.134 52.953 54.000 0.145 0.000 0.879 192 D CB 1.229 42.095 40.800 0.111 0.000 1.163 192 D HN 0.205 nan 8.370 nan 0.000 0.472 193 P HA -0.116 nan 4.420 nan 0.000 0.223 193 P C 0.586 177.959 177.300 0.122 0.000 1.151 193 P CA 1.090 64.334 63.100 0.240 0.000 0.787 193 P CB 0.215 31.989 31.700 0.123 0.000 0.788 194 Q N -1.487 118.378 119.800 0.108 0.000 2.259 194 Q HA 0.023 4.363 4.340 -0.000 0.000 0.201 194 Q C 1.668 177.753 176.000 0.141 0.000 0.938 194 Q CA 1.758 57.615 55.803 0.091 0.000 0.872 194 Q CB -0.323 28.452 28.738 0.062 0.000 0.971 194 Q HN 0.318 nan 8.270 nan 0.000 0.494 195 T N -3.024 111.626 114.554 0.159 0.000 2.985 195 T HA 0.168 4.518 4.350 -0.000 0.000 0.254 195 T C 1.029 175.881 174.700 0.254 0.000 1.021 195 T CA -0.157 62.067 62.100 0.206 0.000 0.957 195 T CB 0.468 69.433 68.868 0.162 0.000 1.047 195 T HN 0.005 nan 8.240 nan 0.000 0.511 196 M N 0.046 119.750 119.600 0.172 0.000 2.871 196 M HA -0.166 4.314 4.480 -0.000 0.000 0.174 196 M C -0.203 176.252 176.300 0.258 0.000 0.655 196 M CA 0.627 55.971 55.300 0.074 0.000 0.654 196 M CB -2.638 29.729 32.600 -0.389 0.000 2.369 196 M HN 0.564 nan 8.290 nan 0.000 0.306 197 E N 0.980 121.315 120.200 0.225 0.000 2.442 197 E HA 0.253 4.603 4.350 -0.000 0.000 0.262 197 E C 0.266 176.941 176.600 0.126 0.000 1.004 197 E CA -0.182 56.327 56.400 0.182 0.000 0.928 197 E CB 0.559 30.338 29.700 0.131 0.000 0.937 197 E HN 0.371 nan 8.360 nan 0.000 0.446 198 L N 3.784 125.040 121.223 0.054 0.000 2.456 198 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 198 L C 0.632 177.471 176.870 -0.052 0.000 1.189 198 L CA 0.339 55.129 54.840 -0.083 0.000 0.846 198 L CB 0.139 42.142 42.059 -0.094 0.000 1.111 198 L HN 0.590 nan 8.230 nan 0.000 0.475 199 R N 2.688 123.132 120.500 -0.094 0.000 2.764 199 R HA 0.689 5.029 4.340 -0.000 0.000 0.270 199 R C -1.493 174.760 176.300 -0.079 0.000 1.014 199 R CA -0.967 55.098 56.100 -0.057 0.000 0.904 199 R CB 1.538 31.819 30.300 -0.031 0.000 1.236 199 R HN 0.399 nan 8.270 nan 0.000 0.466 200 I N 1.899 122.436 120.570 -0.055 0.000 2.330 200 I HA 0.205 4.375 4.170 -0.000 0.000 0.289 200 I C 0.888 176.967 176.117 -0.062 0.000 1.001 200 I CA -0.517 60.746 61.300 -0.061 0.000 1.193 200 I CB 2.220 40.198 38.000 -0.037 0.000 1.345 200 I HN 0.979 nan 8.210 nan 0.000 0.461 201 T N 0.064 114.571 114.554 -0.079 0.000 3.023 201 T HA 0.087 4.437 4.350 -0.000 0.000 0.253 201 T C 0.895 175.547 174.700 -0.079 0.000 1.038 201 T CA -0.232 61.819 62.100 -0.081 0.000 0.962 201 T CB 0.217 69.025 68.868 -0.100 0.000 1.018 201 T HN 0.397 nan 8.240 nan 0.000 0.521 202 S N 1.069 116.724 115.700 -0.075 0.000 2.525 202 S HA 0.244 4.714 4.470 -0.000 0.000 0.285 202 S C 1.428 175.971 174.600 -0.096 0.000 1.283 202 S CA -0.524 57.632 58.200 -0.074 0.000 1.072 202 S CB 0.399 63.563 63.200 -0.061 0.000 0.867 202 S HN 0.254 nan 8.310 nan 0.000 0.492 203 V N 8.196 128.065 119.914 -0.074 0.000 2.244 203 V HA -0.060 4.060 4.120 -0.000 0.000 0.244 203 V C -0.576 175.359 176.094 -0.265 0.000 1.042 203 V CA 1.621 63.868 62.300 -0.089 0.000 1.006 203 V CB -1.392 30.475 31.823 0.074 0.000 0.641 203 V HN 0.761 nan 8.190 nan 0.000 0.446 204 P HA -0.130 nan 4.420 nan 0.000 0.220 204 P C 1.885 178.574 177.300 -1.018 0.000 1.148 204 P CA 1.235 63.815 63.100 -0.866 0.000 0.803 204 P CB 0.043 30.987 31.700 -1.261 0.000 0.782 205 L N -0.025 120.775 121.223 -0.704 0.000 2.131 205 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 205 L C 2.197 179.002 176.870 -0.107 0.000 1.087 205 L CA 2.076 56.735 54.840 -0.301 0.000 0.767 205 L CB -1.589 40.466 42.059 -0.007 0.000 0.917 205 L HN -0.121 nan 8.230 nan 0.000 0.441 206 T N -0.351 114.125 114.554 -0.131 0.000 2.708 206 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 206 T C 1.444 176.092 174.700 -0.086 0.000 1.037 206 T CA 1.580 63.636 62.100 -0.074 0.000 1.146 206 T CB -0.412 68.412 68.868 -0.072 0.000 0.865 206 T HN 0.363 nan 8.240 nan 0.000 0.435 207 D N 0.148 120.459 120.400 -0.149 0.000 2.133 207 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 207 D C 1.673 177.908 176.300 -0.109 0.000 0.997 207 D CA 1.100 55.014 54.000 -0.143 0.000 0.840 207 D CB -0.477 40.197 40.800 -0.211 0.000 0.947 207 D HN 0.522 nan 8.370 nan 0.000 0.452 208 Y N 1.041 121.217 120.300 -0.206 0.000 2.163 208 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 208 Y C 2.189 178.104 175.900 0.025 0.000 1.136 208 Y CA 1.213 59.258 58.100 -0.091 0.000 1.147 208 Y CB -0.314 38.086 38.460 -0.100 0.000 0.987 208 Y HN -0.099 nan 8.280 nan 0.000 0.509 209 L N -0.974 120.246 121.223 -0.004 0.000 2.046 209 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 209 L C 2.386 179.192 176.870 -0.106 0.000 1.077 209 L CA 1.149 55.970 54.840 -0.030 0.000 0.747 209 L CB -0.741 41.370 42.059 0.085 0.000 0.896 209 L HN 0.136 nan 8.230 nan 0.000 0.432 210 V N -0.174 119.688 119.914 -0.087 0.000 2.332 210 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 210 V C 2.723 178.756 176.094 -0.103 0.000 1.055 210 V CA 2.058 64.313 62.300 -0.075 0.000 1.038 210 V CB -0.641 31.147 31.823 -0.057 0.000 0.651 210 V HN 0.677 nan 8.190 nan 0.000 0.450 211 S N -0.322 115.288 115.700 -0.150 0.000 2.440 211 S HA -0.234 4.236 4.470 -0.000 0.000 0.238 211 S C 1.659 176.152 174.600 -0.179 0.000 1.010 211 S CA 1.192 59.300 58.200 -0.153 0.000 0.972 211 S CB -0.315 62.787 63.200 -0.164 0.000 0.774 211 S HN 0.617 nan 8.310 nan 0.000 0.501 212 Q N 0.522 120.173 119.800 -0.249 0.000 2.280 212 Q HA 0.303 4.643 4.340 -0.000 0.000 0.201 212 Q C 1.318 177.274 176.000 -0.072 0.000 0.890 212 Q CA 0.565 56.264 55.803 -0.174 0.000 0.947 212 Q CB -0.028 28.576 28.738 -0.224 0.000 1.081 212 Q HN 0.794 nan 8.270 nan 0.000 0.502 213 G N 1.471 110.232 108.800 -0.064 0.000 2.160 213 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 213 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 213 G C -0.087 174.807 174.900 -0.011 0.000 1.008 213 G CA 0.216 45.299 45.100 -0.028 0.000 0.724 213 G HN 0.239 nan 8.290 nan 0.000 0.514 214 K N 0.211 120.604 120.400 -0.013 0.000 2.159 214 K HA 0.396 4.716 4.320 -0.000 0.000 0.266 214 K C -0.898 175.710 176.600 0.013 0.000 0.975 214 K CA -0.859 55.437 56.287 0.015 0.000 0.865 214 K CB 1.237 33.763 32.500 0.043 0.000 1.087 214 K HN 0.097 nan 8.250 nan 0.000 0.446 215 D N 3.738 124.151 120.400 0.021 0.000 2.339 215 D HA 0.132 4.772 4.640 -0.000 0.000 0.241 215 D C -1.849 174.466 176.300 0.025 0.000 1.183 215 D CA -2.342 51.668 54.000 0.018 0.000 0.859 215 D CB 1.406 42.217 40.800 0.018 0.000 1.067 215 D HN 0.150 nan 8.370 nan 0.000 0.484 216 P HA -0.016 nan 4.420 nan 0.000 0.234 216 P C 0.518 177.829 177.300 0.019 0.000 1.167 216 P CA 0.784 63.897 63.100 0.022 0.000 0.763 216 P CB 0.298 32.004 31.700 0.009 0.000 0.835 217 K N -0.493 119.918 120.400 0.018 0.000 2.367 217 K HA 0.143 4.463 4.320 -0.000 0.000 0.194 217 K C 0.929 177.545 176.600 0.026 0.000 1.027 217 K CA 0.399 56.697 56.287 0.019 0.000 1.075 217 K CB 0.395 32.904 32.500 0.016 0.000 0.845 217 K HN 0.138 nan 8.250 nan 0.000 0.529 218 K N 1.084 121.502 120.400 0.030 0.000 2.676 218 K HA 0.259 4.578 4.320 -0.000 0.000 0.205 218 K C -0.417 176.208 176.600 0.042 0.000 1.084 218 K CA -0.144 56.164 56.287 0.034 0.000 1.057 218 K CB 0.698 33.217 32.500 0.030 0.000 0.791 218 K HN -0.034 nan 8.250 nan 0.000 0.484 219 L N 2.347 123.598 121.223 0.046 0.000 2.417 219 L HA 0.230 4.570 4.340 -0.000 0.000 0.268 219 L C -1.944 174.962 176.870 0.059 0.000 1.158 219 L CA -1.908 52.966 54.840 0.058 0.000 0.819 219 L CB -0.109 41.990 42.059 0.065 0.000 1.112 219 L HN -0.094 nan 8.230 nan 0.000 0.458 220 P HA 0.062 nan 4.420 nan 0.000 0.268 220 P C 0.094 177.436 177.300 0.070 0.000 1.208 220 P CA -0.421 62.719 63.100 0.067 0.000 0.777 220 P CB 0.612 32.355 31.700 0.072 0.000 0.875 221 R N 2.563 123.104 120.500 0.067 0.000 2.073 221 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 221 R C 1.814 178.156 176.300 0.070 0.000 1.134 221 R CA 2.021 58.162 56.100 0.068 0.000 0.952 221 R CB -1.212 29.132 30.300 0.073 0.000 0.850 221 R HN 0.449 nan 8.270 nan 0.000 0.433 222 N N 0.146 118.894 118.700 0.080 0.000 2.166 222 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 222 N C 1.360 176.938 175.510 0.114 0.000 1.019 222 N CA 1.513 54.618 53.050 0.092 0.000 0.856 222 N CB 0.051 38.596 38.487 0.096 0.000 0.993 222 N HN 0.374 nan 8.380 nan 0.000 0.426 223 E N -0.644 119.629 120.200 0.121 0.000 2.047 223 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 223 E C 1.728 178.398 176.600 0.117 0.000 0.987 223 E CA 0.877 57.369 56.400 0.153 0.000 0.799 223 E CB -0.026 29.764 29.700 0.150 0.000 0.752 223 E HN 0.402 nan 8.360 nan 0.000 0.449 224 M N 0.220 119.864 119.600 0.073 0.000 2.202 224 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 224 M C 1.892 178.187 176.300 -0.008 0.000 1.063 224 M CA 1.403 56.720 55.300 0.029 0.000 1.097 224 M CB -0.695 31.916 32.600 0.019 0.000 1.382 224 M HN -0.016 nan 8.290 nan 0.000 0.413 225 R N -0.628 119.873 120.500 0.001 0.000 2.357 225 R HA 0.023 4.363 4.340 -0.000 0.000 0.202 225 R C 1.706 177.939 176.300 -0.110 0.000 1.047 225 R CA 0.776 56.852 56.100 -0.041 0.000 1.034 225 R CB -0.110 30.180 30.300 -0.016 0.000 0.875 225 R HN 0.370 nan 8.270 nan 0.000 0.473 226 A N -0.367 122.392 122.820 -0.102 0.000 2.009 226 A HA 0.166 4.486 4.320 -0.000 0.000 0.197 226 A C 1.710 179.247 177.584 -0.079 0.000 1.471 226 A CA -0.262 51.632 52.037 -0.238 0.000 0.973 226 A CB 0.111 18.779 19.000 -0.553 0.000 1.020 226 A HN 0.121 nan 8.150 nan 0.000 0.476 227 L N 0.916 122.144 121.223 0.007 0.000 2.127 227 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 227 L C 2.615 179.417 176.870 -0.113 0.000 1.089 227 L CA 1.655 56.455 54.840 -0.067 0.000 0.757 227 L CB -0.647 41.418 42.059 0.010 0.000 0.899 227 L HN 0.449 nan 8.230 nan 0.000 0.434 228 V N -3.775 116.069 119.914 -0.116 0.000 2.568 228 V HA -0.274 3.846 4.120 -0.000 0.000 0.253 228 V C 2.130 178.112 176.094 -0.187 0.000 1.072 228 V CA 1.867 64.073 62.300 -0.158 0.000 1.084 228 V CB -1.220 30.491 31.823 -0.187 0.000 0.676 228 V HN 0.526 nan 8.190 nan 0.000 0.469 229 C N 1.253 120.440 119.300 -0.188 0.000 2.518 229 C HA 0.377 4.837 4.460 -0.000 0.000 0.283 229 C C 2.819 177.762 174.990 -0.078 0.000 1.351 229 C CA 0.173 59.085 59.018 -0.176 0.000 1.745 229 C CB -1.468 26.107 27.740 -0.275 0.000 2.107 229 C HN 0.614 nan 8.230 nan 0.000 0.502 230 G N 0.294 109.021 108.800 -0.121 0.000 2.807 230 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.207 230 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.207 230 G C 1.469 176.315 174.900 -0.091 0.000 1.151 230 G CA 0.143 45.136 45.100 -0.178 0.000 0.800 230 G HN 0.702 nan 8.290 nan 0.000 0.523 231 Q N -1.135 118.631 119.800 -0.056 0.000 2.230 231 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 231 Q C 1.849 177.873 176.000 0.040 0.000 0.963 231 Q CA 1.138 56.953 55.803 0.021 0.000 0.866 231 Q CB 0.077 28.780 28.738 -0.059 0.000 0.931 231 Q HN 0.609 nan 8.270 nan 0.000 0.452 232 C N -2.436 116.826 119.300 -0.063 0.000 3.505 232 C HA 0.124 4.584 4.460 -0.000 0.000 0.571 232 C C 0.830 175.672 174.990 -0.247 0.000 1.337 232 C CA -0.501 58.423 59.018 -0.157 0.000 2.562 232 C CB -0.017 27.574 27.740 -0.248 0.000 3.703 232 C HN 0.403 nan 8.230 nan 0.000 0.526 233 H N 2.270 121.259 119.070 -0.136 0.000 2.970 233 H HA 0.393 4.949 4.556 -0.000 0.000 0.226 233 H C -0.072 175.309 175.328 0.089 0.000 1.909 233 H CA 0.851 56.860 56.048 -0.065 0.000 1.388 233 H CB -0.189 29.520 29.762 -0.089 0.000 1.773 233 H HN 0.459 nan 8.280 nan 0.000 0.559 234 V N -0.740 119.302 119.914 0.213 0.000 3.188 234 V HA 0.382 4.502 4.120 -0.000 0.000 0.305 234 V C -0.408 175.784 176.094 0.164 0.000 1.232 234 V CA -1.352 61.026 62.300 0.129 0.000 1.043 234 V CB 2.803 34.444 31.823 -0.303 0.000 1.068 234 V HN 0.237 nan 8.190 nan 0.000 0.439 235 E N 2.047 122.313 120.200 0.111 0.000 2.313 235 E HA 0.604 4.954 4.350 -0.000 0.000 0.276 235 E C -1.014 175.632 176.600 0.077 0.000 1.031 235 E CA 0.007 56.436 56.400 0.049 0.000 0.857 235 E CB 0.962 30.749 29.700 0.145 0.000 1.040 235 E HN 1.011 nan 8.360 nan 0.000 0.408 236 Y N 1.878 122.200 120.300 0.037 0.000 2.588 236 Y HA 0.659 5.209 4.550 -0.000 0.000 0.343 236 Y C -1.479 174.497 175.900 0.126 0.000 1.065 236 Y CA -1.518 56.630 58.100 0.081 0.000 1.038 236 Y CB 0.769 39.293 38.460 0.106 0.000 1.297 236 Y HN 0.522 nan 8.280 nan 0.000 0.467 237 Y N -0.502 119.854 120.300 0.092 0.000 2.634 237 Y HA 0.857 5.407 4.550 -0.000 0.000 0.340 237 Y C -2.079 173.944 175.900 0.206 0.000 1.058 237 Y CA -2.688 55.392 58.100 -0.033 0.000 1.081 237 Y CB 1.229 39.546 38.460 -0.238 0.000 1.295 237 Y HN 0.448 nan 8.280 nan 0.000 0.487 238 F N 1.443 121.614 119.950 0.368 0.000 2.436 238 F HA 0.395 4.922 4.527 -0.000 0.000 0.340 238 F C 0.013 176.013 175.800 0.333 0.000 1.113 238 F CA -1.736 56.384 58.000 0.200 0.000 1.022 238 F CB 0.804 39.963 39.000 0.265 0.000 1.128 238 F HN 0.484 nan 8.300 nan 0.000 0.466 239 N N 1.279 120.175 118.700 0.327 0.000 2.353 239 N HA 0.101 4.841 4.740 -0.000 0.000 0.248 239 N C 0.500 176.238 175.510 0.381 0.000 1.240 239 N CA 0.320 53.584 53.050 0.357 0.000 0.862 239 N CB 0.760 39.349 38.487 0.171 0.000 1.086 239 N HN 0.858 nan 8.380 nan 0.000 0.453 240 G N 1.504 110.541 108.800 0.395 0.000 2.580 240 G HA2 0.240 4.200 3.960 -0.000 0.000 0.278 240 G HA3 0.240 4.200 3.960 -0.000 0.000 0.278 240 G C -1.460 173.559 174.900 0.198 0.000 1.212 240 G CA -0.969 44.298 45.100 0.279 0.000 0.939 240 G HN 0.337 nan 8.290 nan 0.000 0.513 241 P HA -0.060 nan 4.420 nan 0.000 0.219 241 P C 1.667 179.029 177.300 0.104 0.000 1.146 241 P CA 1.946 65.116 63.100 0.116 0.000 0.808 241 P CB 0.190 31.947 31.700 0.095 0.000 0.779 242 T N -6.432 108.188 114.554 0.109 0.000 3.092 242 T HA 0.278 4.628 4.350 -0.000 0.000 0.258 242 T C 1.247 176.010 174.700 0.105 0.000 1.031 242 T CA -0.032 62.123 62.100 0.092 0.000 0.925 242 T CB -0.596 68.317 68.868 0.076 0.000 1.036 242 T HN -0.023 nan 8.240 nan 0.000 0.544 243 M N 0.803 120.486 119.600 0.139 0.000 2.441 243 M HA 0.431 4.911 4.480 -0.000 0.000 0.244 243 M C 1.271 177.649 176.300 0.130 0.000 1.122 243 M CA 0.301 55.695 55.300 0.157 0.000 1.041 243 M CB 0.671 33.416 32.600 0.241 0.000 1.438 243 M HN 0.610 nan 8.290 nan 0.000 0.484 244 G N -0.256 108.607 108.800 0.105 0.000 2.373 244 G HA2 0.069 4.029 3.960 -0.000 0.000 0.250 244 G HA3 0.069 4.029 3.960 -0.000 0.000 0.250 244 G C -1.355 173.589 174.900 0.073 0.000 1.304 244 G CA -1.052 44.092 45.100 0.075 0.000 0.948 244 G HN -0.168 nan 8.290 nan 0.000 0.474 245 V N 2.064 122.012 119.914 0.055 0.000 2.509 245 V HA 0.160 4.280 4.120 -0.000 0.000 0.297 245 V C 1.001 177.142 176.094 0.078 0.000 1.014 245 V CA 0.070 62.416 62.300 0.077 0.000 1.127 245 V CB 0.547 32.425 31.823 0.092 0.000 0.925 245 V HN 0.703 nan 8.190 nan 0.000 0.480 246 N N 5.154 123.921 118.700 0.112 0.000 2.357 246 N HA -0.034 4.706 4.740 -0.000 0.000 0.257 246 N C 0.788 176.372 175.510 0.124 0.000 1.250 246 N CA 0.582 53.706 53.050 0.124 0.000 0.862 246 N CB -0.114 38.444 38.487 0.119 0.000 1.066 246 N HN 0.700 nan 8.380 nan 0.000 0.468 247 K N -0.710 119.766 120.400 0.127 0.000 3.193 247 K HA -0.291 4.029 4.320 -0.000 0.000 0.294 247 K C -0.371 176.162 176.600 -0.111 0.000 1.185 247 K CA 0.803 57.139 56.287 0.081 0.000 0.866 247 K CB -0.952 31.584 32.500 0.060 0.000 1.227 247 K HN 0.627 nan 8.250 nan 0.000 0.467 248 K N 1.681 121.946 120.400 -0.225 0.000 2.350 248 K HA 0.115 4.435 4.320 -0.000 0.000 0.279 248 K C -2.361 173.934 176.600 -0.508 0.000 1.027 248 K CA -1.566 54.275 56.287 -0.743 0.000 0.969 248 K CB 0.697 32.787 32.500 -0.683 0.000 0.954 248 K HN -0.158 nan 8.250 nan 0.000 0.474 249 P HA 0.123 nan 4.420 nan 0.000 0.285 249 P C -1.075 175.951 177.300 -0.457 0.000 1.259 249 P CA -0.386 62.566 63.100 -0.248 0.000 0.794 249 P CB 1.209 32.809 31.700 -0.166 0.000 0.940 250 V N 4.153 123.753 119.914 -0.523 0.000 2.789 250 V HA 0.405 4.525 4.120 -0.000 0.000 0.311 250 V C -0.092 175.801 176.094 -0.334 0.000 1.073 250 V CA -0.653 61.269 62.300 -0.629 0.000 0.921 250 V CB 1.910 33.252 31.823 -0.801 0.000 1.009 250 V HN 0.396 nan 8.190 nan 0.000 0.426 251 F N 4.282 123.891 119.950 -0.568 0.000 2.404 251 F HA 0.352 4.879 4.527 -0.000 0.000 0.358 251 F C -1.723 173.657 175.800 -0.701 0.000 1.120 251 F CA -2.249 55.272 58.000 -0.798 0.000 1.144 251 F CB 1.797 39.796 39.000 -1.668 0.000 1.133 251 F HN 0.326 nan 8.300 nan 0.000 0.495 252 P HA -0.046 nan 4.420 nan 0.000 0.232 252 P C -0.240 176.750 177.300 -0.517 0.000 1.738 252 P CA 0.235 62.782 63.100 -0.923 0.000 0.948 252 P CB -0.404 30.735 31.700 -0.935 0.000 1.943 253 W N 0.072 121.091 121.300 -0.468 0.000 3.127 253 W HA 0.404 5.064 4.660 -0.000 0.000 0.344 253 W C 1.755 178.183 176.519 -0.152 0.000 1.151 253 W CA -0.456 56.704 57.345 -0.309 0.000 1.765 253 W CB -1.057 28.198 29.460 -0.342 0.000 1.085 253 W HN 0.156 nan 8.180 nan 0.000 0.596 254 A N 0.302 123.234 122.820 0.186 0.000 1.969 254 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 254 A C 1.811 179.486 177.584 0.152 0.000 1.169 254 A CA 1.448 53.627 52.037 0.235 0.000 0.635 254 A CB -0.076 19.110 19.000 0.311 0.000 0.810 254 A HN 0.074 nan 8.150 nan 0.000 0.445 255 E N -0.952 119.336 120.200 0.147 0.000 2.447 255 E HA 0.324 4.674 4.350 -0.000 0.000 0.195 255 E C 0.972 177.566 176.600 -0.010 0.000 1.028 255 E CA 0.783 57.237 56.400 0.089 0.000 0.876 255 E CB 0.192 29.973 29.700 0.135 0.000 0.885 255 E HN 0.674 nan 8.360 nan 0.000 0.500 256 G N 0.114 108.830 108.800 -0.140 0.000 2.354 256 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.582 256 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.582 256 G C -0.301 174.362 174.900 -0.395 0.000 1.316 256 G CA -0.647 44.275 45.100 -0.297 0.000 0.995 256 G HN 0.065 nan 8.290 nan 0.000 0.573 257 F N 0.548 120.451 119.950 -0.078 0.000 2.714 257 F HA 0.247 4.774 4.527 -0.000 0.000 0.294 257 F C 1.292 177.076 175.800 -0.027 0.000 1.120 257 F CA 0.075 57.984 58.000 -0.151 0.000 1.398 257 F CB 0.330 39.177 39.000 -0.256 0.000 1.120 257 F HN 0.246 nan 8.300 nan 0.000 0.589 258 D N 1.446 121.906 120.400 0.101 0.000 2.360 258 D HA 0.054 4.694 4.640 -0.000 0.000 0.242 258 D C -1.466 174.719 176.300 -0.192 0.000 1.184 258 D CA -1.620 52.358 54.000 -0.035 0.000 0.930 258 D CB 0.279 41.061 40.800 -0.031 0.000 1.161 258 D HN -0.103 nan 8.370 nan 0.000 0.447 259 P HA -0.135 nan 4.420 nan 0.000 0.217 259 P C 0.754 177.921 177.300 -0.221 0.000 1.148 259 P CA 1.563 64.147 63.100 -0.861 0.000 0.828 259 P CB 0.193 30.867 31.700 -1.710 0.000 0.783 260 A N -0.620 122.195 122.820 -0.009 0.000 1.970 260 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 260 A C 1.915 179.642 177.584 0.239 0.000 1.170 260 A CA 1.365 53.591 52.037 0.315 0.000 0.645 260 A CB -0.985 18.210 19.000 0.327 0.000 0.816 260 A HN 0.054 nan 8.150 nan 0.000 0.447 261 D N -0.038 120.443 120.400 0.134 0.000 2.097 261 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 261 D C 1.961 178.341 176.300 0.133 0.000 0.989 261 D CA 1.393 55.458 54.000 0.108 0.000 0.827 261 D CB -0.350 40.476 40.800 0.042 0.000 0.966 261 D HN 0.439 nan 8.370 nan 0.000 0.456 262 M N -0.681 119.013 119.600 0.157 0.000 2.229 262 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 262 M C 2.103 178.481 176.300 0.130 0.000 1.063 262 M CA 0.935 56.315 55.300 0.132 0.000 1.114 262 M CB -0.170 32.642 32.600 0.352 0.000 1.387 262 M HN 0.032 nan 8.290 nan 0.000 0.420 263 Y N 0.607 120.997 120.300 0.150 0.000 2.242 263 Y HA -0.152 4.398 4.550 -0.000 0.000 0.291 263 Y C 2.509 178.458 175.900 0.081 0.000 1.137 263 Y CA 1.634 59.786 58.100 0.086 0.000 1.181 263 Y CB -0.118 38.488 38.460 0.243 0.000 0.989 263 Y HN 0.039 nan 8.280 nan 0.000 0.527 264 R N -1.056 119.532 120.500 0.147 0.000 2.081 264 R HA -0.240 4.100 4.340 -0.000 0.000 0.235 264 R C 2.188 178.488 176.300 0.001 0.000 1.131 264 R CA 1.783 57.915 56.100 0.054 0.000 0.960 264 R CB -0.844 29.518 30.300 0.102 0.000 0.856 264 R HN 0.529 nan 8.270 nan 0.000 0.436 265 Y N -0.122 120.116 120.300 -0.104 0.000 2.165 265 Y HA -0.300 4.250 4.550 -0.000 0.000 0.286 265 Y C 1.478 177.277 175.900 -0.168 0.000 1.155 265 Y CA 1.775 59.794 58.100 -0.135 0.000 1.164 265 Y CB -0.224 38.052 38.460 -0.306 0.000 0.978 265 Y HN 0.079 nan 8.280 nan 0.000 0.513 266 Y N 0.195 120.492 120.300 -0.005 0.000 2.583 266 Y HA -0.096 4.454 4.550 -0.000 0.000 0.293 266 Y C 1.859 177.609 175.900 -0.249 0.000 1.157 266 Y CA 0.725 58.724 58.100 -0.168 0.000 1.315 266 Y CB -0.405 37.870 38.460 -0.308 0.000 1.021 266 Y HN 0.234 nan 8.280 nan 0.000 0.536 267 D N -0.306 119.994 120.400 -0.168 0.000 2.194 267 D HA -0.058 4.582 4.640 -0.000 0.000 0.204 267 D C 1.592 177.797 176.300 -0.158 0.000 0.964 267 D CA 1.074 54.967 54.000 -0.178 0.000 0.846 267 D CB 0.135 40.826 40.800 -0.182 0.000 0.962 267 D HN 0.324 nan 8.370 nan 0.000 0.490 268 K N -0.689 119.583 120.400 -0.214 0.000 2.334 268 K HA 0.084 4.404 4.320 -0.000 0.000 0.195 268 K C 0.307 176.566 176.600 -0.568 0.000 1.045 268 K CA 0.383 56.441 56.287 -0.382 0.000 1.004 268 K CB 0.661 32.880 32.500 -0.470 0.000 0.837 268 K HN 0.195 nan 8.250 nan 0.000 0.510 269 H N -0.172 118.717 119.070 -0.302 0.000 2.609 269 H HA 0.501 5.057 4.556 -0.000 0.000 0.344 269 H C 0.094 175.382 175.328 -0.067 0.000 1.040 269 H CA -0.472 55.420 56.048 -0.261 0.000 1.216 269 H CB 2.016 31.454 29.762 -0.539 0.000 1.529 269 H HN 0.298 nan 8.280 nan 0.000 0.519 270 G N 2.107 110.993 108.800 0.144 0.000 2.356 270 G HA2 0.031 3.990 3.960 -0.000 0.000 0.300 270 G HA3 0.031 3.990 3.960 -0.000 0.000 0.300 270 G C -1.177 173.808 174.900 0.141 0.000 1.331 270 G CA -0.411 44.847 45.100 0.264 0.000 0.905 270 G HN 0.599 nan 8.290 nan 0.000 0.587 271 D N -0.928 119.536 120.400 0.107 0.000 2.636 271 D HA 0.212 4.852 4.640 -0.000 0.000 0.270 271 D C 0.577 176.885 176.300 0.014 0.000 1.430 271 D CA -0.353 53.684 54.000 0.062 0.000 0.796 271 D CB -0.267 40.588 40.800 0.093 0.000 1.117 271 D HN 0.482 nan 8.370 nan 0.000 0.480 272 L N 0.550 121.768 121.223 -0.009 0.000 2.439 272 L HA 0.220 4.560 4.340 -0.000 0.000 0.269 272 L C 1.385 178.257 176.870 0.004 0.000 1.179 272 L CA 0.242 55.068 54.840 -0.024 0.000 0.828 272 L CB 1.132 43.172 42.059 -0.032 0.000 1.106 272 L HN -0.013 nan 8.230 nan 0.000 0.467 273 Q N 0.963 120.764 119.800 0.002 0.000 2.245 273 Q HA 0.143 4.483 4.340 -0.000 0.000 0.236 273 Q C -0.233 175.782 176.000 0.024 0.000 0.842 273 Q CA -0.241 55.569 55.803 0.012 0.000 0.945 273 Q CB 1.108 29.850 28.738 0.008 0.000 1.122 273 Q HN 0.523 nan 8.270 nan 0.000 0.506 274 V N 2.774 122.706 119.914 0.030 0.000 2.752 274 V HA -0.128 3.992 4.120 -0.000 0.000 0.306 274 V C 0.473 176.637 176.094 0.117 0.000 1.099 274 V CA 0.522 62.860 62.300 0.064 0.000 1.240 274 V CB -0.040 31.810 31.823 0.044 0.000 0.887 274 V HN 0.179 nan 8.190 nan 0.000 0.499 275 K N 3.215 123.668 120.400 0.089 0.000 2.436 275 K HA 0.345 4.665 4.320 -0.000 0.000 0.282 275 K C 1.218 177.854 176.600 0.060 0.000 1.044 275 K CA 0.891 57.210 56.287 0.053 0.000 1.028 275 K CB -0.162 32.354 32.500 0.026 0.000 0.919 275 K HN 1.128 nan 8.250 nan 0.000 0.474 276 G N 3.823 112.573 108.800 -0.083 0.000 2.254 276 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.225 276 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.225 276 G C 0.337 174.854 174.900 -0.637 0.000 1.003 276 G CA 0.066 44.944 45.100 -0.371 0.000 0.622 276 G HN 0.615 nan 8.290 nan 0.000 0.507 277 F N 1.779 121.680 119.950 -0.082 0.000 2.724 277 F HA 0.435 4.962 4.527 -0.000 0.000 0.310 277 F C 0.687 176.434 175.800 -0.088 0.000 1.107 277 F CA -0.550 57.393 58.000 -0.095 0.000 1.218 277 F CB 0.675 39.608 39.000 -0.112 0.000 1.042 277 F HN 0.018 nan 8.300 nan 0.000 0.540 278 E N 0.832 121.052 120.200 0.033 0.000 2.729 278 E HA 0.267 4.617 4.350 -0.000 0.000 0.246 278 E C 1.302 177.894 176.600 -0.013 0.000 0.984 278 E CA 1.329 57.733 56.400 0.007 0.000 0.951 278 E CB -0.215 29.473 29.700 -0.020 0.000 0.914 278 E HN 0.486 nan 8.360 nan 0.000 0.509 279 G N 2.794 111.592 108.800 -0.003 0.000 2.159 279 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.256 279 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.256 279 G C 0.082 174.976 174.900 -0.011 0.000 0.977 279 G CA 0.071 45.162 45.100 -0.015 0.000 0.652 279 G HN 0.408 nan 8.290 nan 0.000 0.531 280 K N -0.607 119.797 120.400 0.007 0.000 2.098 280 K HA 0.595 4.915 4.320 -0.000 0.000 0.261 280 K C -0.451 176.171 176.600 0.037 0.000 0.987 280 K CA -0.901 55.393 56.287 0.012 0.000 0.916 280 K CB 1.168 33.683 32.500 0.024 0.000 1.039 280 K HN 0.044 nan 8.250 nan 0.000 0.455 281 F N 1.328 121.216 119.950 -0.104 0.000 2.412 281 F HA 0.371 4.898 4.527 -0.000 0.000 0.348 281 F C -0.413 175.240 175.800 -0.245 0.000 1.102 281 F CA -0.218 57.693 58.000 -0.147 0.000 1.196 281 F CB 0.828 39.751 39.000 -0.128 0.000 1.144 281 F HN 0.513 nan 8.300 nan 0.000 0.541 282 A N 5.229 127.470 122.820 -0.966 0.000 2.422 282 A HA 0.343 4.663 4.320 -0.000 0.000 0.302 282 A C 0.051 177.125 177.584 -0.851 0.000 1.041 282 A CA -0.625 50.957 52.037 -0.758 0.000 0.708 282 A CB 0.965 19.666 19.000 -0.498 0.000 1.257 282 A HN 0.783 nan 8.150 nan 0.000 0.414 283 D N 0.440 120.557 120.400 -0.472 0.000 2.213 283 D HA 0.104 4.744 4.640 -0.000 0.000 0.205 283 D C 0.186 176.610 176.300 0.207 0.000 0.961 283 D CA 1.900 55.840 54.000 -0.100 0.000 0.853 283 D CB 0.269 41.073 40.800 0.007 0.000 0.967 283 D HN 0.739 nan 8.370 nan 0.000 0.496 284 W N -0.337 120.804 121.300 -0.265 0.000 2.926 284 W HA 0.288 4.948 4.660 -0.000 0.000 0.361 284 W C -1.583 174.843 176.519 -0.156 0.000 1.195 284 W CA -0.917 56.351 57.345 -0.128 0.000 1.177 284 W CB 0.601 30.076 29.460 0.024 0.000 1.453 284 W HN -0.280 nan 8.180 nan 0.000 0.571 285 T N -0.250 114.177 114.554 -0.212 0.000 2.792 285 T HA 0.271 4.621 4.350 -0.000 0.000 0.280 285 T C -0.756 173.783 174.700 -0.268 0.000 0.990 285 T CA -0.456 61.407 62.100 -0.395 0.000 0.960 285 T CB 0.940 69.662 68.868 -0.243 0.000 0.939 285 T HN 0.741 nan 8.240 nan 0.000 0.439 286 H N 6.133 124.917 119.070 -0.476 0.000 3.091 286 H HA 0.151 4.707 4.556 -0.000 0.000 0.289 286 H C -1.569 173.686 175.328 -0.120 0.000 0.995 286 H CA -1.413 54.534 56.048 -0.168 0.000 1.461 286 H CB 1.568 31.215 29.762 -0.192 0.000 1.510 286 H HN 0.532 nan 8.280 nan 0.000 0.546 287 P HA -0.091 nan 4.420 nan 0.000 0.222 287 P C 0.937 178.087 177.300 -0.251 0.000 1.147 287 P CA 1.181 64.240 63.100 -0.068 0.000 0.790 287 P CB 0.255 31.976 31.700 0.036 0.000 0.780 288 A N 0.790 123.381 122.820 -0.382 0.000 1.861 288 A HA -0.048 4.272 4.320 -0.000 0.000 0.212 288 A C 2.339 179.559 177.584 -0.607 0.000 1.199 288 A CA 1.845 53.306 52.037 -0.962 0.000 0.613 288 A CB -1.135 17.085 19.000 -1.300 0.000 0.846 288 A HN 0.335 nan 8.150 nan 0.000 0.446 289 S N -1.787 113.740 115.700 -0.287 0.000 2.524 289 S HA 0.093 4.563 4.470 -0.000 0.000 0.216 289 S C 0.483 174.980 174.600 -0.172 0.000 0.987 289 S CA 0.672 58.735 58.200 -0.229 0.000 0.909 289 S CB 0.053 63.145 63.200 -0.179 0.000 0.781 289 S HN 0.371 nan 8.310 nan 0.000 0.521 290 K N 1.202 121.517 120.400 -0.142 0.000 3.129 290 K HA -0.104 4.216 4.320 -0.000 0.000 0.273 290 K C -0.707 175.763 176.600 -0.215 0.000 1.123 290 K CA 1.003 57.203 56.287 -0.145 0.000 0.800 290 K CB -3.182 29.249 32.500 -0.115 0.000 1.238 290 K HN 0.591 nan 8.250 nan 0.000 0.492 291 T N 2.293 116.704 114.554 -0.240 0.000 2.806 291 T HA 0.365 4.715 4.350 -0.000 0.000 0.290 291 T C -2.467 171.935 174.700 -0.496 0.000 0.966 291 T CA -1.563 60.316 62.100 -0.368 0.000 1.060 291 T CB 1.616 70.302 68.868 -0.303 0.000 0.927 291 T HN -0.109 nan 8.240 nan 0.000 0.485 292 P HA 0.194 nan 4.420 nan 0.000 0.274 292 P C -0.481 176.458 177.300 -0.602 0.000 1.291 292 P CA -0.181 62.527 63.100 -0.654 0.000 0.815 292 P CB 0.197 31.426 31.700 -0.786 0.000 0.897 293 M N 3.828 122.985 119.600 -0.738 0.000 2.423 293 M HA 0.423 4.903 4.480 -0.000 0.000 0.335 293 M C 0.300 176.258 176.300 -0.571 0.000 1.177 293 M CA -0.807 54.035 55.300 -0.762 0.000 1.038 293 M CB 0.943 32.663 32.600 -1.466 0.000 1.641 293 M HN 0.155 nan 8.290 nan 0.000 0.455 294 I N 1.644 121.996 120.570 -0.363 0.000 2.359 294 I HA 0.334 4.504 4.170 -0.000 0.000 0.294 294 I C 0.103 176.199 176.117 -0.034 0.000 0.987 294 I CA -0.777 60.356 61.300 -0.278 0.000 1.225 294 I CB 1.059 38.765 38.000 -0.491 0.000 1.366 294 I HN 0.549 nan 8.210 nan 0.000 0.466 295 K N 5.422 125.791 120.400 -0.051 0.000 2.248 295 K HA 0.660 4.980 4.320 -0.000 0.000 0.281 295 K C -0.536 175.987 176.600 -0.127 0.000 1.054 295 K CA -0.196 56.008 56.287 -0.139 0.000 0.903 295 K CB 1.180 33.400 32.500 -0.466 0.000 1.077 295 K HN 0.725 nan 8.250 nan 0.000 0.474 296 A N 4.035 126.791 122.820 -0.108 0.000 2.293 296 A HA 0.526 4.846 4.320 -0.000 0.000 0.302 296 A C -0.961 176.418 177.584 -0.342 0.000 1.119 296 A CA -0.454 51.500 52.037 -0.138 0.000 0.823 296 A CB 0.692 19.557 19.000 -0.224 0.000 1.097 296 A HN 0.739 nan 8.150 nan 0.000 0.491 297 Q N 0.143 119.704 119.800 -0.397 0.000 2.305 297 Q HA 0.433 4.773 4.340 -0.000 0.000 0.271 297 Q C -1.028 174.619 176.000 -0.588 0.000 1.046 297 Q CA -0.510 54.929 55.803 -0.607 0.000 0.798 297 Q CB 1.385 29.623 28.738 -0.833 0.000 1.286 297 Q HN 0.941 nan 8.270 nan 0.000 0.435 298 H N -0.398 118.703 119.070 0.052 0.000 1.914 298 H HA -0.156 4.400 4.556 -0.000 0.000 0.328 298 H C -2.137 173.205 175.328 0.023 0.000 0.872 298 H CA 0.088 56.182 56.048 0.077 0.000 1.078 298 H CB -1.209 28.628 29.762 0.125 0.000 1.570 298 H HN 0.356 nan 8.280 nan 0.000 0.315 299 P HA 0.049 nan 4.420 nan 0.000 0.225 299 P C 0.186 177.478 177.300 -0.013 0.000 1.768 299 P CA -0.057 62.983 63.100 -0.101 0.000 0.943 299 P CB 0.497 31.875 31.700 -0.537 0.000 1.936 300 E N -0.198 120.089 120.200 0.145 0.000 2.047 300 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 300 E C 1.579 178.236 176.600 0.095 0.000 0.987 300 E CA 1.298 57.796 56.400 0.164 0.000 0.799 300 E CB -0.721 29.085 29.700 0.177 0.000 0.752 300 E HN 0.304 nan 8.360 nan 0.000 0.449 301 Y N 1.502 121.797 120.300 -0.008 0.000 2.181 301 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 301 Y C 1.670 177.501 175.900 -0.116 0.000 1.146 301 Y CA 1.918 59.995 58.100 -0.037 0.000 1.164 301 Y CB 0.114 38.550 38.460 -0.041 0.000 0.982 301 Y HN 0.011 nan 8.280 nan 0.000 0.515 302 E N -1.269 118.860 120.200 -0.119 0.000 2.208 302 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 302 E C 2.080 178.609 176.600 -0.119 0.000 0.988 302 E CA 1.613 57.856 56.400 -0.260 0.000 0.828 302 E CB -0.270 29.415 29.700 -0.025 0.000 0.763 302 E HN 0.367 nan 8.360 nan 0.000 0.478 303 T N -0.003 114.534 114.554 -0.028 0.000 2.851 303 T HA -0.134 4.216 4.350 -0.000 0.000 0.262 303 T C 1.331 176.026 174.700 -0.008 0.000 1.043 303 T CA 0.994 63.126 62.100 0.053 0.000 1.140 303 T CB -0.430 68.505 68.868 0.112 0.000 0.872 303 T HN 0.410 nan 8.240 nan 0.000 0.446 304 W N 2.886 124.043 121.300 -0.237 0.000 2.358 304 W HA -0.170 4.490 4.660 -0.000 0.000 0.303 304 W C 1.561 177.859 176.519 -0.368 0.000 1.208 304 W CA 1.079 58.234 57.345 -0.316 0.000 1.274 304 W CB -0.535 28.650 29.460 -0.459 0.000 1.138 304 W HN 0.270 nan 8.180 nan 0.000 0.515 305 I N 1.688 121.745 120.570 -0.856 0.000 2.335 305 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 305 I C 1.620 177.207 176.117 -0.884 0.000 1.129 305 I CA 2.226 62.758 61.300 -1.279 0.000 1.402 305 I CB -1.606 35.755 38.000 -1.065 0.000 1.069 305 I HN 0.247 nan 8.210 nan 0.000 0.424 306 N N 0.476 118.840 118.700 -0.560 0.000 2.234 306 N HA 0.233 4.973 4.740 -0.000 0.000 0.227 306 N C 0.575 175.916 175.510 -0.283 0.000 1.151 306 N CA 0.091 52.928 53.050 -0.355 0.000 0.865 306 N CB -0.349 38.019 38.487 -0.199 0.000 1.066 306 N HN 0.324 nan 8.380 nan 0.000 0.515 307 G N -0.367 108.233 108.800 -0.334 0.000 2.580 307 G HA2 0.227 4.187 3.960 -0.000 0.000 0.278 307 G HA3 0.227 4.187 3.960 -0.000 0.000 0.278 307 G C 0.948 175.701 174.900 -0.245 0.000 1.212 307 G CA 0.123 45.085 45.100 -0.230 0.000 0.939 307 G HN 0.171 nan 8.290 nan 0.000 0.513 308 T N -2.024 112.410 114.554 -0.200 0.000 2.833 308 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 308 T C 1.912 176.442 174.700 -0.284 0.000 1.054 308 T CA 2.306 64.265 62.100 -0.235 0.000 1.135 308 T CB -0.414 68.309 68.868 -0.242 0.000 0.869 308 T HN 0.561 nan 8.240 nan 0.000 0.466 309 H N 0.051 119.031 119.070 -0.151 0.000 2.317 309 H HA 0.301 4.857 4.556 -0.000 0.000 0.304 309 H C 2.652 177.869 175.328 -0.186 0.000 1.067 309 H CA 1.307 57.312 56.048 -0.072 0.000 1.352 309 H CB -0.725 29.075 29.762 0.062 0.000 1.398 309 H HN 0.472 nan 8.280 nan 0.000 0.510 310 G N 0.445 108.995 108.800 -0.418 0.000 2.476 310 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 310 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 310 G C 1.865 176.344 174.900 -0.702 0.000 1.164 310 G CA 1.048 45.457 45.100 -1.151 0.000 0.768 310 G HN 0.510 nan 8.290 nan 0.000 0.560 311 A N 0.656 123.187 122.820 -0.481 0.000 2.015 311 A HA 0.408 4.728 4.320 -0.000 0.000 0.219 311 A C 2.530 180.002 177.584 -0.187 0.000 1.163 311 A CA 1.890 53.743 52.037 -0.307 0.000 0.646 311 A CB -0.366 18.489 19.000 -0.242 0.000 0.806 311 A HN 0.840 nan 8.150 nan 0.000 0.448 312 A N -1.869 120.859 122.820 -0.154 0.000 2.251 312 A HA 0.433 4.752 4.320 -0.000 0.000 0.209 312 A C 1.660 179.230 177.584 -0.023 0.000 1.187 312 A CA 1.086 53.076 52.037 -0.078 0.000 0.823 312 A CB -0.783 18.173 19.000 -0.075 0.000 0.846 312 A HN 1.800 nan 8.150 nan 0.000 0.486 313 G N -1.500 107.287 108.800 -0.022 0.000 2.141 313 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.242 313 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.242 313 G C 0.071 175.063 174.900 0.154 0.000 0.982 313 G CA 0.060 45.197 45.100 0.061 0.000 0.662 313 G HN 0.796 nan 8.290 nan 0.000 0.527 314 V N 2.404 122.437 119.914 0.198 0.000 2.408 314 V HA 0.620 4.740 4.120 -0.000 0.000 0.267 314 V C 1.059 177.432 176.094 0.465 0.000 1.047 314 V CA 0.367 62.832 62.300 0.275 0.000 0.937 314 V CB 0.853 32.874 31.823 0.330 0.000 0.999 314 V HN 0.700 nan 8.190 nan 0.000 0.472 315 T N 0.928 115.661 114.554 0.298 0.000 2.937 315 T HA 0.233 4.583 4.350 -0.000 0.000 0.283 315 T C 1.334 175.948 174.700 -0.144 0.000 1.012 315 T CA -0.360 61.814 62.100 0.123 0.000 0.997 315 T CB 1.228 70.105 68.868 0.015 0.000 1.136 315 T HN 0.557 nan 8.240 nan 0.000 0.551 316 C N 0.624 119.626 119.300 -0.496 0.000 2.401 316 C HA 0.042 4.502 4.460 -0.000 0.000 0.276 316 C C 3.294 178.232 174.990 -0.087 0.000 1.233 316 C CA 0.881 59.705 59.018 -0.323 0.000 1.753 316 C CB -2.088 25.379 27.740 -0.455 0.000 2.029 316 C HN 1.001 nan 8.230 nan 0.000 0.478 317 A N 1.168 123.923 122.820 -0.108 0.000 1.930 317 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 317 A C 1.777 179.312 177.584 -0.082 0.000 1.175 317 A CA 2.036 54.035 52.037 -0.064 0.000 0.627 317 A CB -0.582 18.371 19.000 -0.078 0.000 0.815 317 A HN 0.527 nan 8.150 nan 0.000 0.443 318 D N -0.566 119.792 120.400 -0.071 0.000 2.158 318 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 318 D C 1.813 178.071 176.300 -0.069 0.000 0.995 318 D CA 1.584 55.541 54.000 -0.071 0.000 0.846 318 D CB -0.384 40.419 40.800 0.005 0.000 0.941 318 D HN 0.475 nan 8.370 nan 0.000 0.456 319 C N -1.169 118.099 119.300 -0.054 0.000 2.700 319 C HA 0.125 4.585 4.460 -0.000 0.000 0.297 319 C C 1.953 176.802 174.990 -0.234 0.000 1.293 319 C CA -0.155 58.783 59.018 -0.134 0.000 1.756 319 C CB -0.312 27.343 27.740 -0.143 0.000 2.210 319 C HN 0.437 nan 8.230 nan 0.000 0.553 320 H N -1.168 117.856 119.070 -0.076 0.000 2.827 320 H HA 0.318 4.874 4.556 -0.000 0.000 0.269 320 H C 0.617 175.918 175.328 -0.046 0.000 1.031 320 H CA 0.552 56.566 56.048 -0.056 0.000 1.202 320 H CB 0.390 30.146 29.762 -0.009 0.000 1.511 320 H HN 0.409 nan 8.280 nan 0.000 0.517 321 M N 1.637 121.248 119.600 0.019 0.000 3.402 321 M HA 0.123 4.603 4.480 -0.000 0.000 0.372 321 M C 0.105 176.321 176.300 -0.141 0.000 1.610 321 M CA -0.277 54.982 55.300 -0.068 0.000 0.650 321 M CB 1.157 33.730 32.600 -0.045 0.000 1.421 321 M HN -0.046 nan 8.290 nan 0.000 0.493 322 S N -0.477 115.151 115.700 -0.120 0.000 2.585 322 S HA 0.345 4.815 4.470 -0.000 0.000 0.273 322 S C -0.343 174.218 174.600 -0.064 0.000 1.339 322 S CA -0.270 57.839 58.200 -0.152 0.000 1.028 322 S CB 0.575 63.727 63.200 -0.080 0.000 0.906 322 S HN 0.324 nan 8.310 nan 0.000 0.528 323 Y N 1.099 121.422 120.300 0.038 0.000 2.632 323 Y HA 0.334 4.884 4.550 -0.000 0.000 0.329 323 Y C 1.272 177.199 175.900 0.045 0.000 1.174 323 Y CA 0.031 58.160 58.100 0.048 0.000 1.469 323 Y CB 0.068 38.558 38.460 0.049 0.000 1.242 323 Y HN 0.794 nan 8.280 nan 0.000 0.540 324 T N 5.110 119.800 114.554 0.227 0.000 2.812 324 T HA 0.435 4.785 4.350 -0.000 0.000 0.282 324 T C -0.197 174.574 174.700 0.118 0.000 0.990 324 T CA -0.987 61.199 62.100 0.143 0.000 0.960 324 T CB 0.321 69.263 68.868 0.123 0.000 0.948 324 T HN 0.662 nan 8.240 nan 0.000 0.438 325 R N 3.728 124.282 120.500 0.089 0.000 3.235 325 R HA 0.244 4.584 4.340 -0.000 0.000 0.232 325 R C 1.066 177.399 176.300 0.054 0.000 1.475 325 R CA -0.185 55.952 56.100 0.063 0.000 1.405 325 R CB 0.051 30.380 30.300 0.049 0.000 1.266 325 R HN 0.723 nan 8.270 nan 0.000 0.650 326 S N -1.335 114.400 115.700 0.057 0.000 2.578 326 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 326 S C 0.382 175.005 174.600 0.039 0.000 1.022 326 S CA -0.408 57.820 58.200 0.047 0.000 0.967 326 S CB 0.421 63.651 63.200 0.050 0.000 0.914 326 S HN 0.307 nan 8.310 nan 0.000 0.515 327 D N 2.568 122.993 120.400 0.042 0.000 2.524 327 D HA 0.297 4.937 4.640 -0.000 0.000 0.222 327 D C 0.147 176.465 176.300 0.028 0.000 1.142 327 D CA 0.130 54.152 54.000 0.037 0.000 0.973 327 D CB -0.246 40.582 40.800 0.047 0.000 1.025 327 D HN 0.074 nan 8.370 nan 0.000 0.519 328 D N 1.991 122.405 120.400 0.023 0.000 4.134 328 D HA -0.251 4.389 4.640 -0.000 0.000 0.141 328 D C 0.272 176.585 176.300 0.021 0.000 0.779 328 D CA 0.923 54.934 54.000 0.019 0.000 1.126 328 D CB -0.360 40.449 40.800 0.016 0.000 0.523 328 D HN 0.420 nan 8.370 nan 0.000 0.513 329 K N 1.488 121.900 120.400 0.019 0.000 2.618 329 K HA 0.260 4.580 4.320 -0.000 0.000 0.207 329 K C -0.105 176.505 176.600 0.017 0.000 1.058 329 K CA 0.000 56.299 56.287 0.020 0.000 1.086 329 K CB 0.849 33.360 32.500 0.017 0.000 0.827 329 K HN 0.262 nan 8.250 nan 0.000 0.481 330 K N 1.331 121.742 120.400 0.019 0.000 2.143 330 K HA 0.246 4.566 4.320 -0.000 0.000 0.272 330 K C -0.067 176.545 176.600 0.019 0.000 1.001 330 K CA -0.396 55.898 56.287 0.012 0.000 0.915 330 K CB 1.338 33.847 32.500 0.016 0.000 1.047 330 K HN -0.133 nan 8.250 nan 0.000 0.458 331 K N 1.820 122.215 120.400 -0.008 0.000 2.401 331 K HA 0.144 4.464 4.320 -0.000 0.000 0.278 331 K C -0.329 176.301 176.600 0.049 0.000 1.018 331 K CA -0.050 56.238 56.287 0.002 0.000 0.981 331 K CB 0.340 32.747 32.500 -0.154 0.000 0.933 331 K HN 0.272 nan 8.250 nan 0.000 0.477 332 I N 0.788 121.434 120.570 0.126 0.000 2.740 332 I HA 0.113 4.283 4.170 -0.000 0.000 0.303 332 I C -0.267 176.025 176.117 0.292 0.000 1.044 332 I CA -0.195 61.212 61.300 0.177 0.000 1.064 332 I CB 2.274 40.356 38.000 0.137 0.000 1.249 332 I HN 0.440 nan 8.210 nan 0.000 0.433 333 S N 2.588 118.490 115.700 0.337 0.000 2.455 333 S HA 0.152 4.622 4.470 -0.000 0.000 0.278 333 S C 0.082 174.817 174.600 0.225 0.000 1.216 333 S CA -0.173 58.203 58.200 0.293 0.000 1.055 333 S CB 0.327 63.679 63.200 0.254 0.000 0.939 333 S HN 0.610 nan 8.310 nan 0.000 0.494 334 S N 2.279 118.043 115.700 0.106 0.000 2.563 334 S HA -0.035 4.435 4.470 -0.000 0.000 0.294 334 S C 0.192 174.703 174.600 -0.149 0.000 1.279 334 S CA 0.083 58.309 58.200 0.044 0.000 1.069 334 S CB 0.028 63.238 63.200 0.017 0.000 0.828 334 S HN 0.738 nan 8.310 nan 0.000 0.497 335 H N 2.937 121.815 119.070 -0.320 0.000 2.486 335 H HA 0.251 4.807 4.556 -0.000 0.000 0.284 335 H C -1.021 173.618 175.328 -1.149 0.000 1.103 335 H CA -0.351 55.178 56.048 -0.866 0.000 1.089 335 H CB 0.161 29.593 29.762 -0.548 0.000 1.603 335 H HN 0.631 nan 8.280 nan 0.000 0.557 336 W N 1.961 122.831 121.300 -0.716 0.000 2.317 336 W HA 0.247 4.907 4.660 -0.000 0.000 0.327 336 W C -1.281 175.001 176.519 -0.394 0.000 1.036 336 W CA -1.679 55.386 57.345 -0.468 0.000 1.419 336 W CB 0.157 29.480 29.460 -0.229 0.000 1.253 336 W HN 0.172 nan 8.180 nan 0.000 0.392 337 W N 7.000 128.316 121.300 0.027 0.000 2.317 337 W HA 0.424 5.084 4.660 -0.000 0.000 0.327 337 W C 0.133 176.515 176.519 -0.229 0.000 1.036 337 W CA -0.482 56.781 57.345 -0.137 0.000 1.419 337 W CB 0.706 30.027 29.460 -0.232 0.000 1.253 337 W HN 0.181 nan 8.180 nan 0.000 0.392 338 T N 0.802 115.302 114.554 -0.089 0.000 2.711 338 T HA 0.185 4.535 4.350 -0.000 0.000 0.302 338 T C -0.549 174.076 174.700 -0.125 0.000 1.373 338 T CA -0.446 61.508 62.100 -0.243 0.000 1.000 338 T CB 1.470 69.868 68.868 -0.783 0.000 1.483 338 T HN 0.104 nan 8.240 nan 0.000 0.499 339 S N 1.615 117.223 115.700 -0.154 0.000 2.525 339 S HA 0.223 4.693 4.470 -0.000 0.000 0.285 339 S C -1.683 172.756 174.600 -0.267 0.000 1.283 339 S CA -0.712 57.409 58.200 -0.132 0.000 1.072 339 S CB 0.529 63.666 63.200 -0.106 0.000 0.867 339 S HN 0.471 nan 8.310 nan 0.000 0.492 340 P HA -0.024 nan 4.420 nan 0.000 0.228 340 P C 1.003 178.163 177.300 -0.234 0.000 1.151 340 P CA 0.911 63.822 63.100 -0.316 0.000 0.770 340 P CB 0.086 31.569 31.700 -0.362 0.000 0.786 341 M N -1.605 117.874 119.600 -0.202 0.000 2.618 341 M HA 0.046 4.526 4.480 -0.000 0.000 0.240 341 M C 1.392 177.624 176.300 -0.113 0.000 1.123 341 M CA 0.959 56.170 55.300 -0.148 0.000 1.060 341 M CB -0.578 31.944 32.600 -0.129 0.000 1.535 341 M HN 0.006 nan 8.290 nan 0.000 0.507 342 K N 0.589 120.901 120.400 -0.147 0.000 2.288 342 K HA -0.087 4.233 4.320 -0.000 0.000 0.201 342 K C 0.518 177.088 176.600 -0.049 0.000 1.048 342 K CA 0.564 56.788 56.287 -0.104 0.000 0.956 342 K CB 0.040 32.430 32.500 -0.183 0.000 0.746 342 K HN 0.155 nan 8.250 nan 0.000 0.461 343 D N 0.453 120.808 120.400 -0.076 0.000 2.316 343 D HA 0.061 4.701 4.640 -0.000 0.000 0.245 343 D C -2.067 174.221 176.300 -0.019 0.000 1.171 343 D CA -2.521 51.467 54.000 -0.019 0.000 0.856 343 D CB 1.528 42.311 40.800 -0.027 0.000 1.090 343 D HN -0.144 nan 8.370 nan 0.000 0.476 344 P HA 0.016 nan 4.420 nan 0.000 0.233 344 P C 0.312 177.614 177.300 0.004 0.000 1.167 344 P CA 0.558 63.658 63.100 0.001 0.000 0.770 344 P CB 0.461 32.168 31.700 0.011 0.000 0.837 345 E N -1.033 119.172 120.200 0.009 0.000 2.498 345 E HA 0.193 4.543 4.350 -0.000 0.000 0.203 345 E C 0.486 177.095 176.600 0.013 0.000 1.013 345 E CA -0.217 56.193 56.400 0.017 0.000 0.927 345 E CB -0.168 29.547 29.700 0.025 0.000 1.012 345 E HN 0.049 nan 8.360 nan 0.000 0.482 346 M N 1.056 120.652 119.600 -0.006 0.000 2.253 346 M HA -0.261 4.219 4.480 -0.000 0.000 0.195 346 M C 1.206 177.507 176.300 0.001 0.000 0.512 346 M CA 0.501 55.789 55.300 -0.020 0.000 0.442 346 M CB -1.491 31.098 32.600 -0.017 0.000 1.189 346 M HN 0.163 nan 8.290 nan 0.000 0.923 347 R N 1.033 121.535 120.500 0.004 0.000 2.120 347 R HA -0.000 4.340 4.340 -0.000 0.000 0.234 347 R C 1.807 178.122 176.300 0.025 0.000 1.123 347 R CA 1.994 58.109 56.100 0.025 0.000 0.975 347 R CB -0.218 30.102 30.300 0.034 0.000 0.866 347 R HN 0.593 nan 8.270 nan 0.000 0.446 348 A N 0.258 123.074 122.820 -0.006 0.000 2.019 348 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 348 A C 2.380 179.978 177.584 0.023 0.000 1.164 348 A CA 1.525 53.552 52.037 -0.017 0.000 0.644 348 A CB -0.589 18.361 19.000 -0.082 0.000 0.805 348 A HN 0.579 nan 8.150 nan 0.000 0.449 349 C N -1.673 117.655 119.300 0.047 0.000 2.634 349 C HA 0.237 4.697 4.460 -0.000 0.000 0.268 349 C C 2.051 177.157 174.990 0.193 0.000 1.322 349 C CA -0.159 58.943 59.018 0.139 0.000 1.737 349 C CB -0.884 26.918 27.740 0.103 0.000 1.976 349 C HN 0.495 nan 8.230 nan 0.000 0.547 350 R N 0.837 121.408 120.500 0.118 0.000 2.466 350 R HA 0.102 4.442 4.340 -0.000 0.000 0.279 350 R C 1.304 177.653 176.300 0.081 0.000 0.976 350 R CA 0.144 56.311 56.100 0.113 0.000 1.081 350 R CB 0.113 30.462 30.300 0.082 0.000 1.215 350 R HN 0.551 nan 8.270 nan 0.000 0.546 351 Q N -0.648 119.194 119.800 0.070 0.000 2.304 351 Q HA 0.035 4.375 4.340 -0.000 0.000 0.204 351 Q C 1.977 177.982 176.000 0.009 0.000 0.936 351 Q CA 0.797 56.627 55.803 0.046 0.000 0.878 351 Q CB -0.161 28.611 28.738 0.057 0.000 0.983 351 Q HN 0.229 nan 8.270 nan 0.000 0.516 352 C N 0.550 119.837 119.300 -0.023 0.000 2.467 352 C HA -0.032 4.428 4.460 -0.000 0.000 0.279 352 C C 1.307 176.091 174.990 -0.342 0.000 1.347 352 C CA 0.338 59.250 59.018 -0.176 0.000 1.748 352 C CB -0.568 27.050 27.740 -0.204 0.000 1.977 352 C HN 0.433 nan 8.230 nan 0.000 0.501 353 H N -0.072 119.041 119.070 0.072 0.000 2.505 353 H HA 0.144 4.700 4.556 -0.000 0.000 0.260 353 H C 1.517 176.870 175.328 0.042 0.000 1.232 353 H CA 0.420 56.507 56.048 0.065 0.000 0.991 353 H CB 0.043 29.867 29.762 0.103 0.000 1.729 353 H HN 0.513 nan 8.280 nan 0.000 0.561 354 S N 0.077 115.830 115.700 0.088 0.000 2.442 354 S HA -0.169 4.301 4.470 -0.000 0.000 0.236 354 S C 1.464 176.090 174.600 0.043 0.000 1.007 354 S CA 1.166 59.402 58.200 0.061 0.000 0.965 354 S CB -0.016 63.206 63.200 0.036 0.000 0.773 354 S HN 0.517 nan 8.310 nan 0.000 0.504 355 D N 0.751 121.172 120.400 0.035 0.000 2.363 355 D HA 0.001 4.641 4.640 -0.000 0.000 0.220 355 D C 0.197 176.473 176.300 -0.040 0.000 0.994 355 D CA 0.352 54.350 54.000 -0.003 0.000 0.890 355 D CB -0.018 40.773 40.800 -0.015 0.000 0.906 355 D HN 0.236 nan 8.370 nan 0.000 0.530 356 K N 1.322 121.721 120.400 -0.003 0.000 2.207 356 K HA 0.275 4.595 4.320 -0.000 0.000 0.255 356 K C 0.458 177.084 176.600 0.044 0.000 0.941 356 K CA -0.515 55.744 56.287 -0.047 0.000 0.825 356 K CB 1.723 34.229 32.500 0.009 0.000 1.119 356 K HN 0.106 nan 8.250 nan 0.000 0.430 357 T N -1.154 113.433 114.554 0.056 0.000 2.860 357 T HA 0.149 4.499 4.350 -0.000 0.000 0.299 357 T C -1.723 173.045 174.700 0.114 0.000 1.045 357 T CA -1.285 60.865 62.100 0.083 0.000 1.071 357 T CB 0.640 69.556 68.868 0.082 0.000 0.985 357 T HN 0.146 nan 8.240 nan 0.000 0.537 358 P HA -0.101 nan 4.420 nan 0.000 0.216 358 P C 0.733 178.059 177.300 0.044 0.000 1.153 358 P CA 1.354 64.483 63.100 0.049 0.000 0.858 358 P CB -0.093 31.625 31.700 0.030 0.000 0.789 359 D N -2.373 118.062 120.400 0.058 0.000 2.144 359 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 359 D C 1.847 178.176 176.300 0.048 0.000 0.978 359 D CA 0.771 54.797 54.000 0.043 0.000 0.833 359 D CB -0.960 39.869 40.800 0.049 0.000 0.961 359 D HN 0.201 nan 8.370 nan 0.000 0.470 360 Y N 1.444 121.740 120.300 -0.007 0.000 2.097 360 Y HA -0.205 4.345 4.550 -0.000 0.000 0.282 360 Y C 1.866 177.751 175.900 -0.025 0.000 1.152 360 Y CA 1.416 59.509 58.100 -0.011 0.000 1.136 360 Y CB -0.326 38.128 38.460 -0.010 0.000 0.975 360 Y HN -0.075 nan 8.280 nan 0.000 0.498 361 L N 0.226 121.500 121.223 0.084 0.000 2.042 361 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 361 L C 2.467 179.249 176.870 -0.146 0.000 1.076 361 L CA 1.861 56.679 54.840 -0.037 0.000 0.749 361 L CB -0.544 41.521 42.059 0.009 0.000 0.893 361 L HN 0.192 nan 8.230 nan 0.000 0.432 362 K N -0.303 120.030 120.400 -0.112 0.000 2.148 362 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 362 K C 2.353 178.890 176.600 -0.105 0.000 1.050 362 K CA 1.577 57.795 56.287 -0.114 0.000 0.942 362 K CB -0.144 32.313 32.500 -0.071 0.000 0.724 362 K HN 0.402 nan 8.250 nan 0.000 0.446 363 S N 0.820 116.440 115.700 -0.134 0.000 2.402 363 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 363 S C 1.864 176.405 174.600 -0.097 0.000 1.021 363 S CA 0.549 58.685 58.200 -0.107 0.000 0.974 363 S CB -0.052 63.069 63.200 -0.132 0.000 0.800 363 S HN 0.156 nan 8.310 nan 0.000 0.484 364 R N 1.000 121.367 120.500 -0.222 0.000 2.127 364 R HA 0.246 4.586 4.340 -0.000 0.000 0.217 364 R C 2.352 178.696 176.300 0.073 0.000 1.074 364 R CA 0.872 56.889 56.100 -0.139 0.000 0.991 364 R CB -1.511 28.627 30.300 -0.269 0.000 0.895 364 R HN 0.455 nan 8.270 nan 0.000 0.450 365 V N 1.833 121.745 119.914 -0.002 0.000 2.261 365 V HA -0.200 3.919 4.120 -0.000 0.000 0.246 365 V C 2.475 178.620 176.094 0.085 0.000 1.047 365 V CA 1.585 63.879 62.300 -0.009 0.000 1.015 365 V CB -0.557 31.053 31.823 -0.355 0.000 0.642 365 V HN 0.151 nan 8.190 nan 0.000 0.446 366 L N -1.272 119.986 121.223 0.058 0.000 2.191 366 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 366 L C 2.346 179.285 176.870 0.115 0.000 1.103 366 L CA 1.482 56.380 54.840 0.097 0.000 0.769 366 L CB -0.610 41.502 42.059 0.088 0.000 0.908 366 L HN 0.315 nan 8.230 nan 0.000 0.438 367 F N 0.726 120.676 119.950 -0.000 0.000 2.126 367 F HA -0.273 4.254 4.527 -0.000 0.000 0.299 367 F C 2.450 178.258 175.800 0.014 0.000 1.096 367 F CA 2.096 60.097 58.000 0.001 0.000 1.255 367 F CB -0.209 38.781 39.000 -0.017 0.000 0.997 367 F HN -0.071 nan 8.300 nan 0.000 0.479 368 T N -0.194 114.514 114.554 0.256 0.000 2.809 368 T HA -0.151 4.199 4.350 -0.000 0.000 0.260 368 T C 1.855 176.566 174.700 0.019 0.000 1.039 368 T CA 1.453 63.647 62.100 0.155 0.000 1.141 368 T CB -0.189 68.811 68.868 0.220 0.000 0.869 368 T HN 0.346 nan 8.240 nan 0.000 0.437 369 Q N 0.714 120.501 119.800 -0.022 0.000 2.079 369 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 369 Q C 2.373 178.122 176.000 -0.419 0.000 0.974 369 Q CA 1.074 56.736 55.803 -0.235 0.000 0.840 369 Q CB -0.146 28.407 28.738 -0.309 0.000 0.898 369 Q HN 0.400 nan 8.270 nan 0.000 0.430 370 K N 1.277 121.535 120.400 -0.238 0.000 2.026 370 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 370 K C 2.045 178.596 176.600 -0.081 0.000 1.048 370 K CA 1.094 57.312 56.287 -0.115 0.000 0.929 370 K CB 0.074 32.582 32.500 0.014 0.000 0.713 370 K HN 0.064 nan 8.250 nan 0.000 0.439 371 R N -0.227 120.204 120.500 -0.114 0.000 2.092 371 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 371 R C 2.308 178.573 176.300 -0.058 0.000 1.119 371 R CA 1.748 57.789 56.100 -0.098 0.000 0.970 371 R CB -0.304 29.910 30.300 -0.143 0.000 0.864 371 R HN 0.242 nan 8.270 nan 0.000 0.440 372 T N 0.612 115.133 114.554 -0.054 0.000 2.821 372 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 372 T C 1.310 176.004 174.700 -0.010 0.000 1.046 372 T CA 1.128 63.215 62.100 -0.022 0.000 1.139 372 T CB -0.213 68.650 68.868 -0.008 0.000 0.871 372 T HN 0.129 nan 8.240 nan 0.000 0.454 373 F N 2.027 121.858 119.950 -0.199 0.000 2.187 373 F HA -0.015 4.512 4.527 -0.000 0.000 0.295 373 F C 1.966 177.729 175.800 -0.062 0.000 1.091 373 F CA 0.920 58.826 58.000 -0.156 0.000 1.308 373 F CB -0.149 38.666 39.000 -0.309 0.000 1.030 373 F HN 0.030 nan 8.300 nan 0.000 0.487 374 D N 0.352 120.776 120.400 0.041 0.000 2.144 374 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 374 D C 2.490 178.740 176.300 -0.084 0.000 0.984 374 D CA 1.082 55.075 54.000 -0.011 0.000 0.834 374 D CB -0.556 40.256 40.800 0.020 0.000 0.955 374 D HN 0.301 nan 8.370 nan 0.000 0.465 375 L N 0.338 121.515 121.223 -0.077 0.000 2.109 375 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 375 L C 2.304 179.112 176.870 -0.103 0.000 1.086 375 L CA 0.509 55.305 54.840 -0.074 0.000 0.760 375 L CB -0.112 41.921 42.059 -0.043 0.000 0.910 375 L HN 0.059 nan 8.230 nan 0.000 0.437 376 L N 0.113 121.246 121.223 -0.150 0.000 2.012 376 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 376 L C 2.283 178.980 176.870 -0.288 0.000 1.073 376 L CA 1.849 56.576 54.840 -0.189 0.000 0.748 376 L CB -0.469 41.443 42.059 -0.245 0.000 0.891 376 L HN 0.151 nan 8.230 nan 0.000 0.431 377 L N -0.756 120.259 121.223 -0.347 0.000 2.141 377 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 377 L C 2.615 179.371 176.870 -0.191 0.000 1.094 377 L CA 1.005 55.664 54.840 -0.302 0.000 0.763 377 L CB -0.866 41.028 42.059 -0.275 0.000 0.908 377 L HN 0.400 nan 8.230 nan 0.000 0.437 378 A N -0.045 122.687 122.820 -0.147 0.000 1.897 378 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 378 A C 2.534 180.055 177.584 -0.107 0.000 1.181 378 A CA 1.381 53.359 52.037 -0.097 0.000 0.620 378 A CB -0.579 18.378 19.000 -0.071 0.000 0.821 378 A HN 0.353 nan 8.150 nan 0.000 0.443 379 A N -0.619 122.128 122.820 -0.122 0.000 1.933 379 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 379 A C 2.082 179.524 177.584 -0.237 0.000 1.175 379 A CA 1.640 53.621 52.037 -0.094 0.000 0.628 379 A CB -0.532 18.470 19.000 0.003 0.000 0.814 379 A HN 0.633 nan 8.150 nan 0.000 0.444 380 Q N -0.655 118.858 119.800 -0.477 0.000 2.167 380 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 380 Q C 1.913 177.719 176.000 -0.323 0.000 0.970 380 Q CA 1.451 56.839 55.803 -0.693 0.000 0.855 380 Q CB -0.090 28.193 28.738 -0.759 0.000 0.911 380 Q HN 0.759 nan 8.270 nan 0.000 0.438 381 E N -0.275 119.827 120.200 -0.163 0.000 2.072 381 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 381 E C 2.016 178.548 176.600 -0.114 0.000 0.982 381 E CA 0.951 57.300 56.400 -0.084 0.000 0.803 381 E CB 0.063 29.773 29.700 0.017 0.000 0.755 381 E HN 0.129 nan 8.360 nan 0.000 0.453 382 V N 0.331 120.199 119.914 -0.076 0.000 2.667 382 V HA -0.194 3.926 4.120 -0.000 0.000 0.252 382 V C 2.254 178.337 176.094 -0.019 0.000 1.065 382 V CA 1.812 64.087 62.300 -0.043 0.000 1.083 382 V CB 0.054 31.860 31.823 -0.028 0.000 0.692 382 V HN 0.172 nan 8.190 nan 0.000 0.468 383 S N -0.658 115.047 115.700 0.007 0.000 2.356 383 S HA -0.169 4.301 4.470 -0.000 0.000 0.223 383 S C 1.907 176.588 174.600 0.135 0.000 1.032 383 S CA 1.932 60.209 58.200 0.129 0.000 1.005 383 S CB -0.195 63.225 63.200 0.366 0.000 0.867 383 S HN 0.482 nan 8.310 nan 0.000 0.449 384 V N 1.827 121.726 119.914 -0.024 0.000 2.343 384 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 384 V C 2.473 178.587 176.094 0.033 0.000 1.051 384 V CA 2.039 64.297 62.300 -0.070 0.000 1.036 384 V CB -0.569 30.813 31.823 -0.734 0.000 0.654 384 V HN 0.473 nan 8.190 nan 0.000 0.451 385 K N 0.044 120.421 120.400 -0.039 0.000 2.057 385 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 385 K C 2.241 178.850 176.600 0.015 0.000 1.050 385 K CA 1.355 57.642 56.287 0.000 0.000 0.935 385 K CB -0.291 32.197 32.500 -0.021 0.000 0.715 385 K HN 0.425 nan 8.250 nan 0.000 0.439 386 A N 1.255 124.063 122.820 -0.021 0.000 1.883 386 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 386 A C 1.914 179.419 177.584 -0.132 0.000 1.186 386 A CA 1.585 53.569 52.037 -0.089 0.000 0.624 386 A CB -0.906 18.012 19.000 -0.136 0.000 0.822 386 A HN 0.410 nan 8.150 nan 0.000 0.444 387 H N -1.247 117.785 119.070 -0.062 0.000 2.387 387 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 387 H C 2.180 177.445 175.328 -0.106 0.000 1.090 387 H CA 1.903 57.848 56.048 -0.171 0.000 1.332 387 H CB -0.039 29.573 29.762 -0.250 0.000 1.386 387 H HN 0.640 nan 8.280 nan 0.000 0.516 388 E N 0.983 121.311 120.200 0.213 0.000 2.107 388 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 388 E C 2.318 178.969 176.600 0.085 0.000 0.982 388 E CA 1.091 57.630 56.400 0.232 0.000 0.809 388 E CB -0.142 29.736 29.700 0.297 0.000 0.756 388 E HN 0.356 nan 8.360 nan 0.000 0.459 389 A N -0.035 122.802 122.820 0.028 0.000 1.898 389 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 389 A C 2.445 179.998 177.584 -0.052 0.000 1.181 389 A CA 1.526 53.553 52.037 -0.018 0.000 0.620 389 A CB -0.645 18.332 19.000 -0.039 0.000 0.819 389 A HN 0.192 nan 8.150 nan 0.000 0.442 390 V N 0.119 119.984 119.914 -0.082 0.000 2.427 390 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 390 V C 2.630 178.669 176.094 -0.091 0.000 1.051 390 V CA 2.094 64.327 62.300 -0.111 0.000 1.048 390 V CB -0.808 30.920 31.823 -0.157 0.000 0.666 390 V HN 0.659 nan 8.190 nan 0.000 0.456 391 R N -0.020 120.422 120.500 -0.098 0.000 2.073 391 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 391 R C 2.301 178.602 176.300 0.002 0.000 1.134 391 R CA 1.669 57.704 56.100 -0.109 0.000 0.952 391 R CB -0.296 29.881 30.300 -0.205 0.000 0.850 391 R HN 0.435 nan 8.270 nan 0.000 0.433 392 L N 0.339 121.586 121.223 0.040 0.000 2.056 392 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 392 L C 2.731 179.665 176.870 0.105 0.000 1.078 392 L CA 1.309 56.203 54.840 0.089 0.000 0.749 392 L CB -0.450 41.655 42.059 0.077 0.000 0.901 392 L HN 0.316 nan 8.230 nan 0.000 0.433 393 A N -0.227 122.615 122.820 0.038 0.000 1.930 393 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 393 A C 2.153 179.865 177.584 0.214 0.000 1.175 393 A CA 1.879 53.951 52.037 0.058 0.000 0.627 393 A CB -0.761 18.205 19.000 -0.056 0.000 0.815 393 A HN 0.527 nan 8.150 nan 0.000 0.443 394 N N -0.047 118.730 118.700 0.129 0.000 2.244 394 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 394 N C 0.936 176.557 175.510 0.184 0.000 1.016 394 N CA 1.337 54.480 53.050 0.156 0.000 0.866 394 N CB -0.054 38.457 38.487 0.040 0.000 0.980 394 N HN 0.656 nan 8.380 nan 0.000 0.430 395 E N -0.600 119.702 120.200 0.170 0.000 2.465 395 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 395 E C -0.580 176.121 176.600 0.169 0.000 1.028 395 E CA -0.444 56.048 56.400 0.153 0.000 0.899 395 E CB 0.057 29.845 29.700 0.147 0.000 1.032 395 E HN 0.288 nan 8.360 nan 0.000 0.468 396 Y N 2.342 122.680 120.300 0.064 0.000 2.526 396 Y HA -0.076 4.474 4.550 -0.000 0.000 0.330 396 Y C 1.191 177.083 175.900 -0.014 0.000 1.156 396 Y CA 0.360 58.481 58.100 0.034 0.000 1.419 396 Y CB 0.641 39.135 38.460 0.058 0.000 1.250 396 Y HN -0.103 nan 8.280 nan 0.000 0.540 397 Q N 3.966 123.446 119.800 -0.533 0.000 2.391 397 Q HA 0.195 4.535 4.340 -0.000 0.000 0.211 397 Q C 1.090 176.719 176.000 -0.619 0.000 0.908 397 Q CA 0.669 56.205 55.803 -0.444 0.000 0.920 397 Q CB 0.100 28.691 28.738 -0.246 0.000 1.056 397 Q HN 0.931 nan 8.270 nan 0.000 0.523 398 G N 0.718 108.786 108.800 -1.220 0.000 2.529 398 G HA2 0.352 4.312 3.960 -0.000 0.000 0.277 398 G HA3 0.352 4.312 3.960 -0.000 0.000 0.277 398 G C -0.436 174.273 174.900 -0.318 0.000 1.383 398 G CA 0.068 44.729 45.100 -0.731 0.000 1.050 398 G HN 0.277 nan 8.290 nan 0.000 0.526 399 A N -0.559 122.252 122.820 -0.015 0.000 2.450 399 A HA 0.512 4.832 4.320 -0.000 0.000 0.255 399 A C 0.399 178.094 177.584 0.186 0.000 1.096 399 A CA 0.065 52.137 52.037 0.058 0.000 0.778 399 A CB 0.200 19.233 19.000 0.055 0.000 1.031 399 A HN 0.546 nan 8.150 nan 0.000 0.494 400 K N 1.622 122.071 120.400 0.081 0.000 2.156 400 K HA 0.631 4.951 4.320 -0.000 0.000 0.250 400 K C 0.256 176.901 176.600 0.076 0.000 0.955 400 K CA -0.457 55.886 56.287 0.092 0.000 0.855 400 K CB 1.853 34.286 32.500 -0.112 0.000 1.101 400 K HN 0.843 nan 8.250 nan 0.000 0.434 401 A N 1.091 123.974 122.820 0.104 0.000 2.586 401 A HA 0.141 4.461 4.320 -0.000 0.000 0.231 401 A C 1.259 178.897 177.584 0.089 0.000 1.055 401 A CA 0.810 52.894 52.037 0.079 0.000 0.756 401 A CB -0.090 18.944 19.000 0.056 0.000 0.988 401 A HN 0.918 nan 8.150 nan 0.000 0.509 402 A N 2.043 124.897 122.820 0.057 0.000 1.933 402 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 402 A C 1.840 179.463 177.584 0.065 0.000 1.175 402 A CA 1.851 53.917 52.037 0.049 0.000 0.628 402 A CB -0.787 18.231 19.000 0.030 0.000 0.814 402 A HN 1.652 nan 8.150 nan 0.000 0.444 403 G N -2.320 106.514 108.800 0.057 0.000 3.496 403 G HA2 0.216 4.176 3.960 -0.000 0.000 0.273 403 G HA3 0.216 4.176 3.960 -0.000 0.000 0.273 403 G C 0.761 175.694 174.900 0.056 0.000 1.279 403 G CA 0.305 45.429 45.100 0.041 0.000 1.041 403 G HN 0.530 nan 8.290 nan 0.000 0.539 404 Y N 0.798 121.083 120.300 -0.024 0.000 2.114 404 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 404 Y C 2.143 178.028 175.900 -0.025 0.000 1.165 404 Y CA 2.226 60.310 58.100 -0.026 0.000 1.148 404 Y CB 0.254 38.710 38.460 -0.006 0.000 0.972 404 Y HN 0.311 nan 8.280 nan 0.000 0.504 405 D N -0.312 120.132 120.400 0.073 0.000 2.123 405 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 405 D C 1.546 177.793 176.300 -0.088 0.000 0.976 405 D CA 1.509 55.498 54.000 -0.018 0.000 0.831 405 D CB -0.252 40.596 40.800 0.081 0.000 0.974 405 D HN 0.440 nan 8.370 nan 0.000 0.469 406 D N 0.580 120.942 120.400 -0.063 0.000 2.178 406 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 406 D C 2.284 178.513 176.300 -0.119 0.000 0.980 406 D CA 0.367 54.317 54.000 -0.084 0.000 0.842 406 D CB -0.118 40.646 40.800 -0.060 0.000 0.948 406 D HN 0.216 nan 8.370 nan 0.000 0.472 407 L N -0.314 120.824 121.223 -0.143 0.000 2.179 407 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 407 L C 2.274 179.016 176.870 -0.214 0.000 1.096 407 L CA 0.410 55.151 54.840 -0.165 0.000 0.779 407 L CB -0.171 41.793 42.059 -0.159 0.000 0.922 407 L HN 0.027 nan 8.230 nan 0.000 0.443 408 M N -0.406 119.013 119.600 -0.302 0.000 2.175 408 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 408 M C 2.327 178.546 176.300 -0.136 0.000 1.063 408 M CA 1.746 56.873 55.300 -0.288 0.000 1.119 408 M CB -0.687 31.653 32.600 -0.433 0.000 1.377 408 M HN 0.203 nan 8.290 nan 0.000 0.415 409 I N -0.131 120.378 120.570 -0.102 0.000 2.315 409 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 409 I C 2.447 178.508 176.117 -0.092 0.000 1.117 409 I CA 1.138 62.412 61.300 -0.044 0.000 1.404 409 I CB -0.329 37.596 38.000 -0.125 0.000 1.071 409 I HN 0.379 nan 8.210 nan 0.000 0.419 410 Q N 0.483 120.208 119.800 -0.125 0.000 2.119 410 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 410 Q C 2.472 178.417 176.000 -0.091 0.000 0.972 410 Q CA 1.639 57.370 55.803 -0.120 0.000 0.847 410 Q CB -0.233 28.435 28.738 -0.116 0.000 0.903 410 Q HN 0.586 nan 8.270 nan 0.000 0.433 411 A N 1.299 124.060 122.820 -0.098 0.000 1.855 411 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 411 A C 2.001 179.535 177.584 -0.083 0.000 1.191 411 A CA 1.365 53.340 52.037 -0.102 0.000 0.613 411 A CB -0.466 18.453 19.000 -0.135 0.000 0.829 411 A HN 0.193 nan 8.150 nan 0.000 0.442 412 R N -0.732 119.742 120.500 -0.044 0.000 2.103 412 R HA -0.208 4.131 4.340 -0.000 0.000 0.242 412 R C 2.240 178.594 176.300 0.090 0.000 1.142 412 R CA 1.712 57.809 56.100 -0.005 0.000 0.960 412 R CB -0.301 30.034 30.300 0.059 0.000 0.858 412 R HN 0.652 nan 8.270 nan 0.000 0.439 413 E N 0.256 120.575 120.200 0.197 0.000 2.160 413 E HA -0.181 4.168 4.350 -0.000 0.000 0.195 413 E C 1.669 178.255 176.600 -0.023 0.000 0.991 413 E CA 1.405 57.892 56.400 0.144 0.000 0.810 413 E CB 0.072 29.749 29.700 -0.039 0.000 0.742 413 E HN 0.133 nan 8.360 nan 0.000 0.466 414 M N -0.569 118.984 119.600 -0.078 0.000 2.287 414 M HA -0.014 4.466 4.480 -0.000 0.000 0.266 414 M C 2.174 178.411 176.300 -0.106 0.000 1.079 414 M CA 0.583 55.812 55.300 -0.118 0.000 1.146 414 M CB -0.522 32.034 32.600 -0.074 0.000 1.374 414 M HN 0.078 nan 8.290 nan 0.000 0.435 415 V N 0.720 120.550 119.914 -0.140 0.000 2.252 415 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 415 V C 2.602 178.595 176.094 -0.169 0.000 1.056 415 V CA 2.253 64.414 62.300 -0.231 0.000 1.022 415 V CB -0.928 30.655 31.823 -0.399 0.000 0.641 415 V HN 0.482 nan 8.190 nan 0.000 0.445 416 R N 0.322 120.748 120.500 -0.123 0.000 2.081 416 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 416 R C 2.417 178.730 176.300 0.021 0.000 1.131 416 R CA 2.152 58.217 56.100 -0.060 0.000 0.960 416 R CB -0.292 30.000 30.300 -0.014 0.000 0.856 416 R HN 0.468 nan 8.270 nan 0.000 0.436 417 K N -0.580 119.750 120.400 -0.117 0.000 2.103 417 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 417 K C 1.975 178.502 176.600 -0.123 0.000 1.052 417 K CA 1.362 57.384 56.287 -0.441 0.000 0.945 417 K CB -0.245 31.595 32.500 -1.100 0.000 0.722 417 K HN 0.371 nan 8.250 nan 0.000 0.443 418 G N 0.803 109.603 108.800 0.001 0.000 2.433 418 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.216 418 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.216 418 G C 1.373 176.348 174.900 0.124 0.000 1.186 418 G CA 0.842 46.061 45.100 0.199 0.000 0.779 418 G HN 0.402 nan 8.290 nan 0.000 0.543 419 Q N -0.709 119.075 119.800 -0.028 0.000 2.096 419 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 419 Q C 2.161 177.802 176.000 -0.598 0.000 0.982 419 Q CA 1.598 57.123 55.803 -0.464 0.000 0.850 419 Q CB -0.358 28.301 28.738 -0.132 0.000 0.901 419 Q HN 0.495 nan 8.270 nan 0.000 0.422 420 F N -0.463 119.356 119.950 -0.218 0.000 2.126 420 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 420 F C 1.391 177.201 175.800 0.017 0.000 1.096 420 F CA 1.173 59.133 58.000 -0.067 0.000 1.255 420 F CB -0.099 39.001 39.000 0.167 0.000 0.997 420 F HN 0.114 nan 8.300 nan 0.000 0.479 421 F N 0.848 120.714 119.950 -0.140 0.000 2.102 421 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 421 F C 2.434 178.211 175.800 -0.038 0.000 1.105 421 F CA 1.739 59.681 58.000 -0.097 0.000 1.239 421 F CB -1.435 37.630 39.000 0.109 0.000 0.991 421 F HN 0.305 nan 8.300 nan 0.000 0.474 422 W N 0.062 121.475 121.300 0.189 0.000 2.436 422 W HA -0.137 4.523 4.660 -0.000 0.000 0.284 422 W C 1.501 178.073 176.519 0.088 0.000 1.225 422 W CA 1.013 58.424 57.345 0.109 0.000 1.271 422 W CB -1.029 28.479 29.460 0.081 0.000 1.114 422 W HN 0.046 nan 8.180 nan 0.000 0.559 423 D N 0.685 120.922 120.400 -0.272 0.000 2.178 423 D HA -0.235 4.405 4.640 -0.000 0.000 0.202 423 D C 1.927 178.204 176.300 -0.039 0.000 0.974 423 D CA 1.186 55.063 54.000 -0.204 0.000 0.841 423 D CB -0.847 39.613 40.800 -0.568 0.000 0.953 423 D HN 0.261 nan 8.370 nan 0.000 0.478 424 Y N -0.067 120.020 120.300 -0.356 0.000 2.274 424 Y HA -0.171 4.379 4.550 -0.000 0.000 0.290 424 Y C 1.913 177.758 175.900 -0.092 0.000 1.145 424 Y CA 1.204 59.099 58.100 -0.342 0.000 1.203 424 Y CB 0.200 38.298 38.460 -0.603 0.000 0.984 424 Y HN -0.112 nan 8.280 nan 0.000 0.533 425 V N -1.504 118.538 119.914 0.214 0.000 2.492 425 V HA -0.164 3.956 4.120 -0.000 0.000 0.241 425 V C 2.426 178.649 176.094 0.216 0.000 1.041 425 V CA 1.416 63.841 62.300 0.209 0.000 1.057 425 V CB -0.545 31.405 31.823 0.212 0.000 0.711 425 V HN 0.419 nan 8.190 nan 0.000 0.468 426 S N 0.997 116.882 115.700 0.307 0.000 2.365 426 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 426 S C 2.037 176.853 174.600 0.359 0.000 1.039 426 S CA 2.071 60.490 58.200 0.364 0.000 1.033 426 S CB -0.378 63.152 63.200 0.551 0.000 0.887 426 S HN 0.611 nan 8.310 nan 0.000 0.447 427 A N 0.598 123.590 122.820 0.286 0.000 2.066 427 A HA 0.123 4.442 4.320 -0.000 0.000 0.218 427 A C 1.195 178.915 177.584 0.228 0.000 1.157 427 A CA 0.549 52.733 52.037 0.246 0.000 0.670 427 A CB -0.270 18.764 19.000 0.058 0.000 0.804 427 A HN 0.567 nan 8.150 nan 0.000 0.453 428 E N 0.529 120.828 120.200 0.165 0.000 2.259 428 E HA 0.124 4.474 4.350 -0.000 0.000 0.281 428 E C -0.147 176.566 176.600 0.188 0.000 1.027 428 E CA -0.351 56.139 56.400 0.151 0.000 0.838 428 E CB 0.400 30.140 29.700 0.068 0.000 1.066 428 E HN 0.375 nan 8.360 nan 0.000 0.401 429 N N 1.298 120.119 118.700 0.201 0.000 2.463 429 N HA -0.084 4.656 4.740 -0.000 0.000 0.181 429 N C 1.114 176.670 175.510 0.076 0.000 1.078 429 N CA 0.495 53.649 53.050 0.173 0.000 0.902 429 N CB 0.316 38.925 38.487 0.203 0.000 0.970 429 N HN 0.351 nan 8.380 nan 0.000 0.451 430 S N -0.204 115.458 115.700 -0.063 0.000 2.605 430 S HA 0.061 4.531 4.470 -0.000 0.000 0.217 430 S C 0.925 175.503 174.600 -0.037 0.000 0.958 430 S CA -0.277 57.803 58.200 -0.200 0.000 0.919 430 S CB -0.169 62.514 63.200 -0.863 0.000 0.780 430 S HN -0.002 nan 8.310 nan 0.000 0.507 431 V N 0.991 120.924 119.914 0.031 0.000 5.175 431 V HA -0.222 3.898 4.120 -0.000 0.000 0.279 431 V C 1.638 177.745 176.094 0.021 0.000 0.571 431 V CA 0.798 63.121 62.300 0.038 0.000 0.694 431 V CB -2.786 29.000 31.823 -0.061 0.000 0.525 431 V HN 1.171 nan 8.190 nan 0.000 1.093 432 G N -0.910 107.918 108.800 0.047 0.000 2.258 432 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.233 432 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.233 432 G C 0.384 175.326 174.900 0.069 0.000 1.006 432 G CA 0.495 45.629 45.100 0.058 0.000 0.620 432 G HN 1.076 nan 8.290 nan 0.000 0.511 433 F N 1.730 121.648 119.950 -0.052 0.000 2.161 433 F HA 0.002 4.529 4.527 -0.000 0.000 0.300 433 F C 2.432 178.291 175.800 0.098 0.000 1.089 433 F CA 2.621 60.616 58.000 -0.008 0.000 1.282 433 F CB -0.338 38.636 39.000 -0.044 0.000 1.010 433 F HN 0.471 nan 8.300 nan 0.000 0.485 434 H N -1.751 117.339 119.070 0.033 0.000 2.422 434 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 434 H C 0.427 175.707 175.328 -0.081 0.000 1.098 434 H CA 1.040 57.093 56.048 0.008 0.000 1.315 434 H CB -0.009 29.843 29.762 0.150 0.000 1.382 434 H HN 0.042 nan 8.280 nan 0.000 0.523 435 N N -1.058 117.671 118.700 0.048 0.000 2.751 435 N HA 0.070 4.809 4.740 -0.000 0.000 0.238 435 N C -2.436 173.069 175.510 -0.010 0.000 1.351 435 N CA -1.372 51.670 53.050 -0.014 0.000 0.751 435 N CB 0.911 39.405 38.487 0.012 0.000 1.342 435 N HN -0.075 nan 8.380 nan 0.000 0.540 436 P HA -0.070 nan 4.420 nan 0.000 0.215 436 P C 1.172 178.480 177.300 0.013 0.000 1.157 436 P CA 1.372 64.472 63.100 -0.000 0.000 0.868 436 P CB 0.384 32.087 31.700 0.004 0.000 0.788 437 A N 0.081 122.900 122.820 -0.002 0.000 1.883 437 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 437 A C 2.320 179.909 177.584 0.008 0.000 1.186 437 A CA 2.018 54.056 52.037 0.002 0.000 0.624 437 A CB -1.327 17.665 19.000 -0.012 0.000 0.822 437 A HN 0.097 nan 8.150 nan 0.000 0.444 438 K N -0.479 119.924 120.400 0.006 0.000 2.057 438 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 438 K C 2.250 178.874 176.600 0.039 0.000 1.049 438 K CA 1.184 57.481 56.287 0.016 0.000 0.931 438 K CB -0.345 32.167 32.500 0.020 0.000 0.714 438 K HN 0.390 nan 8.250 nan 0.000 0.440 439 A N 1.579 124.434 122.820 0.059 0.000 1.851 439 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 439 A C 2.183 179.804 177.584 0.061 0.000 1.195 439 A CA 1.600 53.685 52.037 0.080 0.000 0.622 439 A CB -0.776 18.271 19.000 0.078 0.000 0.831 439 A HN 0.301 nan 8.150 nan 0.000 0.444 440 L N -0.862 120.386 121.223 0.041 0.000 1.994 440 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 440 L C 2.466 179.350 176.870 0.024 0.000 1.071 440 L CA 1.742 56.599 54.840 0.027 0.000 0.745 440 L CB -0.818 41.251 42.059 0.018 0.000 0.892 440 L HN 0.445 nan 8.230 nan 0.000 0.431 441 D N -0.167 120.247 120.400 0.022 0.000 2.154 441 D HA -0.225 4.415 4.640 -0.000 0.000 0.190 441 D C 2.008 178.338 176.300 0.049 0.000 1.003 441 D CA 2.186 56.199 54.000 0.023 0.000 0.849 441 D CB 0.014 40.828 40.800 0.023 0.000 0.942 441 D HN 0.159 nan 8.370 nan 0.000 0.446 442 T N -0.159 114.436 114.554 0.069 0.000 2.746 442 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 442 T C 2.059 176.871 174.700 0.187 0.000 1.039 442 T CA 0.843 63.024 62.100 0.135 0.000 1.142 442 T CB -0.290 68.572 68.868 -0.011 0.000 0.866 442 T HN 0.154 nan 8.240 nan 0.000 0.444 443 L N 0.573 121.866 121.223 0.116 0.000 2.093 443 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 443 L C 3.013 179.904 176.870 0.034 0.000 1.085 443 L CA 1.050 55.954 54.840 0.107 0.000 0.755 443 L CB -0.610 41.495 42.059 0.075 0.000 0.904 443 L HN 0.246 nan 8.230 nan 0.000 0.435 444 A N -0.436 122.379 122.820 -0.007 0.000 1.902 444 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 444 A C 2.205 179.687 177.584 -0.171 0.000 1.181 444 A CA 1.548 53.544 52.037 -0.069 0.000 0.623 444 A CB -0.409 18.555 19.000 -0.059 0.000 0.818 444 A HN 0.486 nan 8.150 nan 0.000 0.443 445 Q N -0.679 118.994 119.800 -0.211 0.000 2.079 445 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 445 Q C 2.462 177.962 176.000 -0.834 0.000 0.974 445 Q CA 1.516 56.961 55.803 -0.597 0.000 0.840 445 Q CB -0.349 28.096 28.738 -0.489 0.000 0.898 445 Q HN 0.707 nan 8.270 nan 0.000 0.430 446 S N 0.939 116.480 115.700 -0.265 0.000 2.368 446 S HA -0.320 4.150 4.470 -0.000 0.000 0.226 446 S C 1.963 176.521 174.600 -0.070 0.000 1.044 446 S CA 1.807 59.999 58.200 -0.013 0.000 1.062 446 S CB -0.188 63.180 63.200 0.279 0.000 0.931 446 S HN 0.358 nan 8.310 nan 0.000 0.440 447 Q N 0.205 119.957 119.800 -0.081 0.000 2.096 447 Q HA -0.259 4.080 4.340 -0.000 0.000 0.208 447 Q C 2.603 178.521 176.000 -0.138 0.000 0.993 447 Q CA 2.363 58.117 55.803 -0.083 0.000 0.862 447 Q CB -0.319 28.369 28.738 -0.085 0.000 0.915 447 Q HN 0.730 nan 8.270 nan 0.000 0.416 448 Q N -0.395 119.242 119.800 -0.271 0.000 2.030 448 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 448 Q C 1.934 177.825 176.000 -0.182 0.000 0.986 448 Q CA 1.786 57.419 55.803 -0.284 0.000 0.843 448 Q CB -0.272 28.196 28.738 -0.451 0.000 0.904 448 Q HN 0.421 nan 8.270 nan 0.000 0.420 449 F N 0.296 120.152 119.950 -0.158 0.000 2.102 449 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 449 F C 2.663 178.385 175.800 -0.130 0.000 1.105 449 F CA 0.579 58.468 58.000 -0.185 0.000 1.239 449 F CB -0.188 38.640 39.000 -0.286 0.000 0.991 449 F HN -0.001 nan 8.300 nan 0.000 0.474 450 S N -0.471 115.279 115.700 0.084 0.000 2.382 450 S HA -0.249 4.221 4.470 -0.000 0.000 0.228 450 S C 1.835 176.429 174.600 -0.011 0.000 1.027 450 S CA 1.296 59.512 58.200 0.027 0.000 0.991 450 S CB -0.357 62.873 63.200 0.051 0.000 0.823 450 S HN 0.283 nan 8.310 nan 0.000 0.469 451 Q N 1.913 121.702 119.800 -0.018 0.000 2.083 451 Q HA 0.048 4.388 4.340 -0.000 0.000 0.198 451 Q C 1.962 177.949 176.000 -0.022 0.000 0.969 451 Q CA 1.518 57.306 55.803 -0.025 0.000 0.838 451 Q CB -0.318 28.399 28.738 -0.035 0.000 0.900 451 Q HN 0.370 nan 8.270 nan 0.000 0.436 452 K N -0.565 119.827 120.400 -0.013 0.000 2.089 452 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 452 K C 1.830 178.411 176.600 -0.032 0.000 1.048 452 K CA 1.352 57.632 56.287 -0.011 0.000 0.926 452 K CB -0.292 32.217 32.500 0.015 0.000 0.714 452 K HN 0.307 nan 8.250 nan 0.000 0.448 453 A N 1.221 124.016 122.820 -0.041 0.000 1.877 453 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 453 A C 2.066 179.602 177.584 -0.079 0.000 1.186 453 A CA 1.575 53.568 52.037 -0.075 0.000 0.620 453 A CB -0.541 18.399 19.000 -0.100 0.000 0.822 453 A HN 0.309 nan 8.150 nan 0.000 0.443 454 I N 0.003 120.538 120.570 -0.059 0.000 2.179 454 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 454 I C 1.923 178.014 176.117 -0.043 0.000 1.088 454 I CA 1.539 62.810 61.300 -0.049 0.000 1.357 454 I CB -0.543 37.441 38.000 -0.027 0.000 1.051 454 I HN 0.240 nan 8.210 nan 0.000 0.409 455 D N 0.984 121.369 120.400 -0.025 0.000 2.104 455 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 455 D C 2.348 178.619 176.300 -0.049 0.000 0.994 455 D CA 1.385 55.384 54.000 -0.002 0.000 0.830 455 D CB -0.375 40.431 40.800 0.011 0.000 0.959 455 D HN 0.292 nan 8.370 nan 0.000 0.452 456 L N 0.641 121.820 121.223 -0.074 0.000 2.056 456 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 456 L C 2.513 179.286 176.870 -0.163 0.000 1.078 456 L CA 1.161 55.935 54.840 -0.111 0.000 0.749 456 L CB -0.380 41.616 42.059 -0.105 0.000 0.901 456 L HN -0.033 nan 8.230 nan 0.000 0.433 457 A N -0.647 122.079 122.820 -0.157 0.000 1.969 457 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 457 A C 2.333 179.781 177.584 -0.226 0.000 1.169 457 A CA 1.379 53.306 52.037 -0.183 0.000 0.635 457 A CB -0.363 18.550 19.000 -0.145 0.000 0.810 457 A HN 0.318 nan 8.150 nan 0.000 0.445 458 M N -1.303 118.159 119.600 -0.231 0.000 2.123 458 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 458 M C 2.233 178.089 176.300 -0.741 0.000 1.069 458 M CA 1.801 56.892 55.300 -0.349 0.000 1.133 458 M CB -0.445 32.075 32.600 -0.134 0.000 1.356 458 M HN 0.644 nan 8.290 nan 0.000 0.415 459 E N 0.711 120.523 120.200 -0.647 0.000 2.049 459 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 459 E C 1.904 178.279 176.600 -0.374 0.000 1.007 459 E CA 1.582 57.615 56.400 -0.613 0.000 0.809 459 E CB -0.037 29.521 29.700 -0.238 0.000 0.749 459 E HN 0.455 nan 8.360 nan 0.000 0.450 460 A N 0.178 122.848 122.820 -0.250 0.000 1.997 460 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 460 A C 2.251 179.839 177.584 0.006 0.000 1.172 460 A CA 2.445 54.416 52.037 -0.109 0.000 0.645 460 A CB -0.880 17.990 19.000 -0.216 0.000 0.813 460 A HN 0.506 nan 8.150 nan 0.000 0.454 461 T N -4.417 110.008 114.554 -0.215 0.000 3.134 461 T HA 0.367 4.717 4.350 -0.000 0.000 0.260 461 T C 0.291 174.832 174.700 -0.266 0.000 1.027 461 T CA 0.451 62.348 62.100 -0.338 0.000 0.913 461 T CB -0.124 68.207 68.868 -0.896 0.000 1.046 461 T HN 0.548 nan 8.240 nan 0.000 0.553 462 Q N 0.330 119.988 119.800 -0.236 0.000 2.468 462 Q HA -0.262 4.078 4.340 -0.000 0.000 0.289 462 Q C -0.640 175.357 176.000 -0.006 0.000 1.299 462 Q CA 0.567 56.311 55.803 -0.099 0.000 0.838 462 Q CB -2.530 26.248 28.738 0.067 0.000 1.195 462 Q HN 0.836 nan 8.270 nan 0.000 0.456 463 Y N -4.821 115.438 120.300 -0.069 0.000 4.798 463 Y HA -0.334 4.216 4.550 -0.000 0.000 0.237 463 Y C 1.623 177.484 175.900 -0.066 0.000 1.017 463 Y CA 0.841 58.903 58.100 -0.064 0.000 2.010 463 Y CB -1.917 36.526 38.460 -0.028 0.000 1.582 463 Y HN 0.498 nan 8.280 nan 0.000 0.621 464 G N 0.792 109.550 108.800 -0.070 0.000 2.509 464 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.218 464 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.218 464 G C 1.320 176.208 174.900 -0.021 0.000 1.124 464 G CA 0.987 46.094 45.100 0.012 0.000 0.776 464 G HN 0.771 nan 8.290 nan 0.000 0.547 465 I N -2.205 118.262 120.570 -0.171 0.000 3.883 465 I HA 0.372 4.542 4.170 -0.000 0.000 0.326 465 I C 2.194 178.311 176.117 0.000 0.000 1.283 465 I CA 0.387 61.644 61.300 -0.073 0.000 1.161 465 I CB 0.011 37.928 38.000 -0.140 0.000 1.012 465 I HN -0.055 nan 8.210 nan 0.000 0.421 466 G N 3.399 112.213 108.800 0.024 0.000 2.491 466 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.218 466 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.218 466 G C 1.642 176.569 174.900 0.045 0.000 1.180 466 G CA 1.457 46.587 45.100 0.050 0.000 0.774 466 G HN 0.686 nan 8.290 nan 0.000 0.562 467 K N 0.087 120.518 120.400 0.052 0.000 2.173 467 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 467 K C 1.317 177.945 176.600 0.045 0.000 1.046 467 K CA 1.862 58.178 56.287 0.049 0.000 0.929 467 K CB -0.150 32.384 32.500 0.058 0.000 0.720 467 K HN 0.201 nan 8.250 nan 0.000 0.453 468 D N 0.292 120.723 120.400 0.051 0.000 2.339 468 D HA 0.085 4.725 4.640 -0.000 0.000 0.217 468 D C 0.766 177.094 176.300 0.046 0.000 1.050 468 D CA 0.474 54.506 54.000 0.053 0.000 0.856 468 D CB 0.402 41.245 40.800 0.072 0.000 0.922 468 D HN 0.269 nan 8.370 nan 0.000 0.518 469 L N 0.039 121.284 121.223 0.037 0.000 3.066 469 L HA 0.188 4.528 4.340 -0.000 0.000 0.265 469 L C 1.730 178.613 176.870 0.023 0.000 1.232 469 L CA -0.018 54.841 54.840 0.030 0.000 1.031 469 L CB 0.757 42.831 42.059 0.026 0.000 1.379 469 L HN -0.214 nan 8.230 nan 0.000 0.563 470 S N -0.026 115.687 115.700 0.022 0.000 2.388 470 S HA 0.093 4.563 4.470 -0.000 0.000 0.223 470 S C 1.486 176.092 174.600 0.010 0.000 1.034 470 S CA 0.777 58.986 58.200 0.016 0.000 0.963 470 S CB 0.101 63.311 63.200 0.016 0.000 0.827 470 S HN 0.566 nan 8.310 nan 0.000 0.481 471 G N 1.210 110.016 108.800 0.010 0.000 2.466 471 G HA2 0.078 4.038 3.960 -0.000 0.000 0.279 471 G HA3 0.078 4.038 3.960 -0.000 0.000 0.279 471 G C -0.380 174.524 174.900 0.006 0.000 1.410 471 G CA -0.298 44.806 45.100 0.006 0.000 1.065 471 G HN 0.336 nan 8.290 nan 0.000 0.547 472 D N -1.187 119.215 120.400 0.004 0.000 2.389 472 D HA 0.041 4.681 4.640 -0.000 0.000 0.247 472 D C 1.459 177.770 176.300 0.019 0.000 1.128 472 D CA -0.598 53.407 54.000 0.009 0.000 0.884 472 D CB 1.002 41.804 40.800 0.003 0.000 1.194 472 D HN 0.072 nan 8.370 nan 0.000 0.441 473 I N 3.808 124.397 120.570 0.032 0.000 2.315 473 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 473 I C 1.751 177.926 176.117 0.098 0.000 1.125 473 I CA 1.629 62.956 61.300 0.045 0.000 1.392 473 I CB -0.051 37.966 38.000 0.028 0.000 1.065 473 I HN 0.438 nan 8.210 nan 0.000 0.424 474 K N -0.854 119.607 120.400 0.103 0.000 2.439 474 K HA -0.022 4.298 4.320 -0.000 0.000 0.197 474 K C 1.730 178.336 176.600 0.011 0.000 1.041 474 K CA 1.249 57.582 56.287 0.075 0.000 0.970 474 K CB -0.082 32.409 32.500 -0.016 0.000 0.773 474 K HN 0.369 nan 8.250 nan 0.000 0.479 475 T N 1.128 115.684 114.554 0.003 0.000 2.953 475 T HA 0.083 4.433 4.350 -0.000 0.000 0.247 475 T C 1.884 176.564 174.700 -0.032 0.000 1.029 475 T CA 0.513 62.601 62.100 -0.020 0.000 1.144 475 T CB 0.042 68.901 68.868 -0.015 0.000 0.870 475 T HN 0.050 nan 8.240 nan 0.000 0.446 476 I N 1.090 121.649 120.570 -0.018 0.000 2.202 476 I HA -0.031 4.139 4.170 -0.000 0.000 0.242 476 I C 0.366 176.442 176.117 -0.069 0.000 1.091 476 I CA 0.907 62.193 61.300 -0.023 0.000 1.368 476 I CB 0.016 38.020 38.000 0.006 0.000 1.058 476 I HN -0.013 nan 8.210 nan 0.000 0.410 477 V N 2.102 121.968 119.914 -0.079 0.000 2.289 477 V HA 0.315 4.435 4.120 -0.000 0.000 0.272 477 V C -2.454 173.621 176.094 -0.032 0.000 1.026 477 V CA -1.659 60.525 62.300 -0.194 0.000 0.807 477 V CB 0.365 31.962 31.823 -0.377 0.000 1.044 477 V HN -0.018 nan 8.190 nan 0.000 0.443 478 P HA 0.167 nan 4.420 nan 0.000 0.266 478 P C -2.581 174.785 177.300 0.109 0.000 1.195 478 P CA -0.860 62.250 63.100 0.017 0.000 0.768 478 P CB -0.076 31.599 31.700 -0.041 0.000 0.838 479 P HA 0.113 nan 4.420 nan 0.000 0.268 479 P C -0.336 176.931 177.300 -0.056 0.000 1.205 479 P CA 0.380 63.390 63.100 -0.149 0.000 0.771 479 P CB 0.228 31.677 31.700 -0.417 0.000 0.858 480 I N 3.624 124.159 120.570 -0.058 0.000 2.291 480 I HA 0.044 4.214 4.170 -0.000 0.000 0.292 480 I C 1.469 177.642 176.117 0.094 0.000 1.064 480 I CA -0.150 61.140 61.300 -0.017 0.000 1.269 480 I CB 0.731 38.717 38.000 -0.024 0.000 1.418 480 I HN 0.345 nan 8.210 nan 0.000 0.485 481 L N 7.040 128.337 121.223 0.124 0.000 2.102 481 L HA 0.164 4.504 4.340 -0.000 0.000 0.202 481 L C 0.601 177.588 176.870 0.195 0.000 1.076 481 L CA 1.642 56.565 54.840 0.137 0.000 0.761 481 L CB -0.112 42.015 42.059 0.114 0.000 0.921 481 L HN 0.374 nan 8.230 nan 0.000 0.444 482 K N 0.396 120.958 120.400 0.271 0.000 2.274 482 K HA 0.526 4.846 4.320 -0.000 0.000 0.262 482 K C -1.064 175.783 176.600 0.411 0.000 0.961 482 K CA -0.371 56.093 56.287 0.295 0.000 0.833 482 K CB 1.548 34.214 32.500 0.276 0.000 1.102 482 K HN -0.036 nan 8.250 nan 0.000 0.436 483 M N 3.299 123.064 119.600 0.276 0.000 2.307 483 M HA 0.202 4.682 4.480 -0.000 0.000 0.279 483 M C -1.764 174.666 176.300 0.216 0.000 1.080 483 M CA -0.739 54.715 55.300 0.257 0.000 0.964 483 M CB 1.798 34.554 32.600 0.261 0.000 1.825 483 M HN 0.810 nan 8.290 nan 0.000 0.489 484 N N 1.218 120.006 118.700 0.147 0.000 2.972 484 N HA 0.556 5.296 4.740 -0.000 0.000 0.262 484 N C -0.103 175.392 175.510 -0.024 0.000 1.478 484 N CA -0.851 52.285 53.050 0.145 0.000 0.841 484 N CB 1.175 39.681 38.487 0.032 0.000 1.512 484 N HN 0.472 nan 8.380 nan 0.000 0.548 485 R N -1.045 119.259 120.500 -0.326 0.000 2.189 485 R HA 0.009 4.349 4.340 -0.000 0.000 0.218 485 R C 1.130 177.082 176.300 -0.579 0.000 1.074 485 R CA 0.866 56.630 56.100 -0.560 0.000 0.991 485 R CB -0.124 29.746 30.300 -0.717 0.000 0.883 485 R HN 0.486 nan 8.270 nan 0.000 0.457 486 K N 1.251 121.350 120.400 -0.500 0.000 2.062 486 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 486 K C 1.725 178.150 176.600 -0.292 0.000 1.051 486 K CA 1.275 57.306 56.287 -0.428 0.000 0.941 486 K CB -0.220 32.170 32.500 -0.183 0.000 0.719 486 K HN 0.073 nan 8.250 nan 0.000 0.440 487 L N 0.462 121.504 121.223 -0.301 0.000 2.093 487 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 487 L C 2.550 179.300 176.870 -0.200 0.000 1.085 487 L CA 1.233 55.807 54.840 -0.442 0.000 0.755 487 L CB -0.360 41.172 42.059 -0.879 0.000 0.904 487 L HN 0.333 nan 8.230 nan 0.000 0.435 488 Q N -0.197 119.540 119.800 -0.105 0.000 2.508 488 Q HA -0.202 4.138 4.340 -0.000 0.000 0.214 488 Q C 1.911 177.888 176.000 -0.038 0.000 0.979 488 Q CA 0.835 56.630 55.803 -0.014 0.000 0.911 488 Q CB 0.157 28.907 28.738 0.020 0.000 0.969 488 Q HN 0.580 nan 8.270 nan 0.000 0.504 489 Q N -0.311 119.432 119.800 -0.095 0.000 2.354 489 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 489 Q C -0.087 175.902 176.000 -0.019 0.000 0.933 489 Q CA 0.150 55.907 55.803 -0.075 0.000 0.901 489 Q CB 0.423 29.084 28.738 -0.127 0.000 1.007 489 Q HN 0.148 nan 8.270 nan 0.000 0.495 490 D N 0.749 121.152 120.400 0.005 0.000 2.336 490 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 490 D C -1.958 174.412 176.300 0.117 0.000 1.213 490 D CA -2.236 51.799 54.000 0.058 0.000 0.870 490 D CB 1.473 42.311 40.800 0.062 0.000 1.076 490 D HN -0.100 nan 8.370 nan 0.000 0.483 491 P HA -0.040 nan 4.420 nan 0.000 0.222 491 P C 0.906 178.269 177.300 0.105 0.000 1.153 491 P CA 0.519 63.670 63.100 0.084 0.000 0.798 491 P CB 0.495 32.228 31.700 0.056 0.000 0.796 492 E N -1.216 119.055 120.200 0.117 0.000 2.152 492 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 492 E C 1.671 178.377 176.600 0.177 0.000 0.983 492 E CA 0.714 57.188 56.400 0.123 0.000 0.818 492 E CB -0.868 28.895 29.700 0.106 0.000 0.758 492 E HN 0.301 nan 8.360 nan 0.000 0.467 493 F N 0.926 120.918 119.950 0.071 0.000 2.206 493 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 493 F C 1.828 177.734 175.800 0.177 0.000 1.090 493 F CA 0.958 59.021 58.000 0.105 0.000 1.323 493 F CB 0.022 39.050 39.000 0.047 0.000 1.028 493 F HN -0.100 nan 8.300 nan 0.000 0.492 494 M N 0.407 120.058 119.600 0.085 0.000 2.722 494 M HA -0.052 4.428 4.480 -0.000 0.000 0.238 494 M C 1.099 177.502 176.300 0.173 0.000 1.098 494 M CA 1.042 56.373 55.300 0.051 0.000 1.062 494 M CB -1.013 31.623 32.600 0.059 0.000 1.573 494 M HN 0.219 nan 8.290 nan 0.000 0.531 495 K N -0.465 120.004 120.400 0.114 0.000 2.358 495 K HA 0.092 4.412 4.320 -0.000 0.000 0.200 495 K C 1.483 178.112 176.600 0.049 0.000 1.030 495 K CA 0.507 56.844 56.287 0.084 0.000 1.097 495 K CB 0.460 32.996 32.500 0.060 0.000 0.862 495 K HN 0.340 nan 8.250 nan 0.000 0.534 496 T N -1.756 112.820 114.554 0.037 0.000 3.107 496 T HA 0.044 4.394 4.350 -0.000 0.000 0.249 496 T C 0.359 174.983 174.700 -0.126 0.000 1.096 496 T CA 0.110 62.190 62.100 -0.033 0.000 1.012 496 T CB -0.045 68.803 68.868 -0.034 0.000 0.977 496 T HN 0.042 nan 8.240 nan 0.000 0.527 497 H N 0.249 119.102 119.070 -0.361 0.000 2.894 497 H HA 0.375 4.931 4.556 -0.000 0.000 0.367 497 H C 0.339 175.485 175.328 -0.303 0.000 1.144 497 H CA -0.731 54.963 56.048 -0.590 0.000 1.180 497 H CB 2.421 31.334 29.762 -1.415 0.000 1.758 497 H HN -0.031 nan 8.280 nan 0.000 0.541 498 K N 2.531 122.751 120.400 -0.300 0.000 2.147 498 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 498 K C 0.806 177.672 176.600 0.444 0.000 1.049 498 K CA 1.133 57.454 56.287 0.057 0.000 0.936 498 K CB 0.161 32.685 32.500 0.041 0.000 0.722 498 K HN 0.440 nan 8.250 nan 0.000 0.446 499 W N -0.074 121.428 121.300 0.337 0.000 2.905 499 W HA 0.040 4.699 4.660 -0.000 0.000 0.251 499 W C 1.334 178.128 176.519 0.458 0.000 1.305 499 W CA -0.079 57.545 57.345 0.465 0.000 1.465 499 W CB -0.333 29.344 29.460 0.361 0.000 1.122 499 W HN 0.013 nan 8.180 nan 0.000 0.659 500 F N 0.961 121.158 119.950 0.411 0.000 2.365 500 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 500 F C 2.413 178.267 175.800 0.089 0.000 1.090 500 F CA 1.013 59.130 58.000 0.195 0.000 1.408 500 F CB -1.500 37.547 39.000 0.078 0.000 1.060 500 F HN 0.171 nan 8.300 nan 0.000 0.534 501 Q N -0.837 119.054 119.800 0.151 0.000 2.437 501 Q HA -0.190 4.150 4.340 -0.000 0.000 0.210 501 Q C 0.843 176.656 176.000 -0.311 0.000 0.972 501 Q CA 1.536 57.257 55.803 -0.137 0.000 0.903 501 Q CB -0.663 27.910 28.738 -0.276 0.000 0.967 501 Q HN 0.461 nan 8.270 nan 0.000 0.486 502 Y N 0.240 120.627 120.300 0.144 0.000 2.457 502 Y HA 0.331 4.881 4.550 -0.000 0.000 0.263 502 Y C 0.373 176.325 175.900 0.087 0.000 1.164 502 Y CA -0.429 57.721 58.100 0.083 0.000 1.274 502 Y CB 0.687 39.164 38.460 0.028 0.000 1.097 502 Y HN 0.019 nan 8.280 nan 0.000 0.523 503 L N 2.907 124.256 121.223 0.211 0.000 2.322 503 L HA 0.394 4.734 4.340 -0.000 0.000 0.279 503 L C -2.163 174.768 176.870 0.101 0.000 1.036 503 L CA -2.258 52.675 54.840 0.155 0.000 0.807 503 L CB 1.184 43.337 42.059 0.155 0.000 1.226 503 L HN -0.132 nan 8.230 nan 0.000 0.433 504 P HA 0.074 nan 4.420 nan 0.000 0.271 504 P C -0.663 176.667 177.300 0.049 0.000 1.216 504 P CA -0.290 62.846 63.100 0.061 0.000 0.776 504 P CB 1.034 32.770 31.700 0.060 0.000 0.881 505 V N 4.511 124.448 119.914 0.039 0.000 2.439 505 V HA 0.052 4.172 4.120 -0.000 0.000 0.271 505 V C 1.057 177.160 176.094 0.016 0.000 1.040 505 V CA -0.240 62.077 62.300 0.028 0.000 1.002 505 V CB -0.102 31.740 31.823 0.031 0.000 1.000 505 V HN 0.389 nan 8.190 nan 0.000 0.477 506 L N 7.798 129.020 121.223 -0.002 0.000 2.439 506 L HA 0.305 4.645 4.340 -0.000 0.000 0.269 506 L C -1.789 175.066 176.870 -0.026 0.000 1.179 506 L CA -1.599 53.229 54.840 -0.021 0.000 0.828 506 L CB 0.562 42.583 42.059 -0.064 0.000 1.106 506 L HN 0.433 nan 8.230 nan 0.000 0.467 507 P HA 0.031 nan 4.420 nan 0.000 0.268 507 P C -0.830 176.456 177.300 -0.024 0.000 1.205 507 P CA -0.409 62.684 63.100 -0.011 0.000 0.771 507 P CB 0.473 32.173 31.700 -0.000 0.000 0.858 508 K N 1.720 122.112 120.400 -0.014 0.000 2.491 508 K HA 0.370 4.690 4.320 -0.000 0.000 0.279 508 K C -0.239 176.364 176.600 0.005 0.000 1.026 508 K CA 0.618 56.898 56.287 -0.012 0.000 1.070 508 K CB -0.459 32.041 32.500 -0.001 0.000 0.887 508 K HN 0.593 nan 8.250 nan 0.000 0.481 509 A N 4.033 126.864 122.820 0.019 0.000 2.517 509 A HA 0.367 4.687 4.320 -0.000 0.000 0.297 509 A C -1.429 176.254 177.584 0.166 0.000 1.050 509 A CA -0.989 51.096 52.037 0.080 0.000 0.694 509 A CB 1.036 20.097 19.000 0.101 0.000 1.277 509 A HN 0.639 nan 8.150 nan 0.000 0.400 510 D N 1.147 121.620 120.400 0.122 0.000 2.264 510 D HA 0.234 4.874 4.640 -0.000 0.000 0.249 510 D C 0.042 176.372 176.300 0.051 0.000 1.070 510 D CA 0.140 54.199 54.000 0.097 0.000 0.912 510 D CB 1.212 42.023 40.800 0.017 0.000 1.193 510 D HN 0.622 nan 8.370 nan 0.000 0.427 511 Q N 1.093 120.836 119.800 -0.095 0.000 2.274 511 Q HA 0.051 4.391 4.340 -0.000 0.000 0.280 511 Q C 0.497 176.344 176.000 -0.255 0.000 1.047 511 Q CA -0.127 55.423 55.803 -0.422 0.000 0.907 511 Q CB 0.916 29.402 28.738 -0.420 0.000 1.171 511 Q HN 0.251 nan 8.270 nan 0.000 0.381 512 V N 4.310 124.068 119.914 -0.260 0.000 2.685 512 V HA 0.013 4.133 4.120 -0.000 0.000 0.244 512 V C -0.217 175.630 176.094 -0.411 0.000 1.054 512 V CA 0.608 62.726 62.300 -0.304 0.000 1.076 512 V CB 0.070 31.728 31.823 -0.275 0.000 0.725 512 V HN 0.664 nan 8.190 nan 0.000 0.467 513 W N -0.305 120.877 121.300 -0.197 0.000 2.702 513 W HA 0.581 5.241 4.660 -0.000 0.000 0.331 513 W C -0.901 175.507 176.519 -0.184 0.000 1.049 513 W CA -0.493 56.755 57.345 -0.162 0.000 1.230 513 W CB 1.289 30.657 29.460 -0.153 0.000 1.408 513 W HN -0.140 nan 8.180 nan 0.000 0.492 514 D N 1.770 122.243 120.400 0.120 0.000 2.420 514 D HA 0.443 5.083 4.640 -0.000 0.000 0.255 514 D C 0.795 177.108 176.300 0.021 0.000 1.185 514 D CA 0.751 54.772 54.000 0.036 0.000 0.904 514 D CB 0.474 41.297 40.800 0.038 0.000 1.102 514 D HN 0.570 nan 8.370 nan 0.000 0.534 515 G N 3.798 112.472 108.800 -0.209 0.000 2.620 515 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.315 515 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.315 515 G C 0.845 175.743 174.900 -0.003 0.000 1.179 515 G CA 0.624 45.554 45.100 -0.283 0.000 0.971 515 G HN 0.537 nan 8.290 nan 0.000 0.544 516 Q N 0.614 120.488 119.800 0.123 0.000 2.356 516 Q HA 0.201 4.541 4.340 -0.000 0.000 0.205 516 Q C 0.642 176.859 176.000 0.362 0.000 0.901 516 Q CA 0.222 56.160 55.803 0.225 0.000 0.938 516 Q CB 0.354 29.209 28.738 0.194 0.000 1.081 516 Q HN 0.458 nan 8.270 nan 0.000 0.517 517 K N 1.204 121.764 120.400 0.266 0.000 2.172 517 K HA 0.326 4.646 4.320 -0.000 0.000 0.276 517 K C -0.450 176.187 176.600 0.062 0.000 1.013 517 K CA -0.351 56.030 56.287 0.157 0.000 0.913 517 K CB 1.243 33.792 32.500 0.082 0.000 1.055 517 K HN -0.051 nan 8.250 nan 0.000 0.461 518 R N 2.321 122.721 120.500 -0.167 0.000 2.490 518 R HA 0.276 4.616 4.340 -0.000 0.000 0.280 518 R C 0.061 176.222 176.300 -0.232 0.000 1.077 518 R CA -0.184 55.663 56.100 -0.422 0.000 1.065 518 R CB 0.474 30.455 30.300 -0.531 0.000 1.003 518 R HN 0.388 nan 8.270 nan 0.000 0.470 519 L N 0.000 121.081 121.223 -0.237 0.000 2.949 519 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 519 L CA 0.000 54.751 54.840 -0.148 0.000 0.813 519 L CB 0.000 41.986 42.059 -0.122 0.000 0.961 519 L HN 0.000 nan 8.230 nan 0.000 0.502