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 2gk1_1_E DATA FIRST_RESID 23 DATA SEQUENCE LWPWPQNFQT SDQRYVLYPN NFQFQYDVSS AAQPGcSVLD EAFQRYRDLL DATA SEQUENCE FGXXXXXXXX XXXXXXTLEK NVLVVSVVTP GcNQLPTLES VENYTLTIND DATA SEQUENCE DQCLLLSETV WGALRGLETF SQLVWKSAEG TFFINKTEIE DFPRFPHRGL DATA SEQUENCE LLDTSRHYLP LSSILDTLDV MAYNKLNVFH WHLVDDPSFP YESFTFPELM DATA SEQUENCE RKGSYNPVTH IYTAQDVKEV IEYARLRGIR VLAEFDTPGH TLSWGPGIPG DATA SEQUENCE LLTPcYSGSE PSGTFGPVNP SLNNTYEFMS TFFLEVSSVF PDFYLHLGGD DATA SEQUENCE EVDFTcWKSN PEIQDFMRKK GFGEDFKQLE SFYIQTLLDI VSSYGKGYVV DATA SEQUENCE WQEVFDNKVK IQPDTIIQVW REDIPVNYMK ELELVTKAGF RALLSAPWYL DATA SEQUENCE NRISYGPDWK DFYVVEPLAF EGTPEQKALV IGGEACMWGE YVDNTNLVPR DATA SEQUENCE LWPRAGAVAE RLWSNKLTSD LTFAYERLSH FRcELLRRGV QAQPLNVGFc DATA SEQUENCE EQEFEQ 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.943 176.870 0.122 0.000 1.165 23 L CA 0.000 54.884 54.840 0.074 0.000 0.813 23 L CB 0.000 42.000 42.059 -0.098 0.000 0.961 24 W N 5.695 126.754 121.300 -0.402 0.000 3.439 24 W HA 0.407 5.067 4.660 -0.000 0.000 0.323 24 W C -2.864 173.300 176.519 -0.591 0.000 1.174 24 W CA -1.030 56.003 57.345 -0.520 0.000 1.224 24 W CB 2.483 31.418 29.460 -0.876 0.000 1.348 24 W HN 0.172 nan 8.180 nan 0.000 0.498 25 P HA -0.005 nan 4.420 nan 0.000 0.274 25 P C -0.025 177.002 177.300 -0.454 0.000 1.246 25 P CA 0.061 62.626 63.100 -0.892 0.000 0.795 25 P CB 0.973 32.275 31.700 -0.663 0.000 1.006 26 W N 2.449 123.469 121.300 -0.467 0.000 2.308 26 W HA 0.121 4.781 4.660 -0.000 0.000 0.324 26 W C -2.384 174.124 176.519 -0.018 0.000 1.387 26 W CA -1.592 55.659 57.345 -0.157 0.000 1.250 26 W CB 0.133 29.598 29.460 0.008 0.000 1.257 26 W HN 0.328 nan 8.180 nan 0.000 0.554 27 P HA -0.107 nan 4.420 nan 0.000 0.271 27 P C 0.727 177.937 177.300 -0.150 0.000 1.238 27 P CA 0.370 63.300 63.100 -0.283 0.000 0.794 27 P CB 0.681 32.121 31.700 -0.433 0.000 0.959 28 Q N 0.296 120.049 119.800 -0.078 0.000 2.049 28 Q HA 0.004 4.344 4.340 -0.000 0.000 0.198 28 Q C -0.071 175.930 176.000 0.002 0.000 0.971 28 Q CA 1.607 57.332 55.803 -0.130 0.000 0.833 28 Q CB -0.139 28.317 28.738 -0.470 0.000 0.896 28 Q HN 0.532 nan 8.270 nan 0.000 0.434 29 N N -0.235 118.475 118.700 0.017 0.000 2.576 29 N HA 0.213 4.953 4.740 -0.000 0.000 0.269 29 N C -1.651 173.922 175.510 0.104 0.000 1.058 29 N CA -0.119 52.976 53.050 0.076 0.000 0.860 29 N CB 1.004 39.542 38.487 0.086 0.000 1.249 29 N HN 0.044 nan 8.380 nan 0.000 0.525 30 F N 1.795 121.688 119.950 -0.094 0.000 2.382 30 F HA 0.275 4.802 4.527 -0.000 0.000 0.361 30 F C -0.079 175.721 175.800 0.000 0.000 1.109 30 F CA -0.799 57.122 58.000 -0.132 0.000 1.031 30 F CB 1.269 40.009 39.000 -0.434 0.000 1.234 30 F HN 0.231 nan 8.300 nan 0.000 0.445 31 Q N 5.390 125.033 119.800 -0.262 0.000 2.349 31 Q HA 0.225 4.565 4.340 -0.000 0.000 0.254 31 Q C -0.167 175.493 176.000 -0.567 0.000 0.980 31 Q CA -0.321 55.280 55.803 -0.337 0.000 0.924 31 Q CB 1.438 30.117 28.738 -0.098 0.000 1.209 31 Q HN 0.759 nan 8.270 nan 0.000 0.445 32 T N 1.736 115.894 114.554 -0.660 0.000 2.862 32 T HA 0.616 4.965 4.350 -0.000 0.000 0.276 32 T C -0.617 173.989 174.700 -0.156 0.000 0.974 32 T CA -0.247 61.552 62.100 -0.502 0.000 0.966 32 T CB 1.367 69.983 68.868 -0.420 0.000 1.072 32 T HN 0.572 nan 8.240 nan 0.000 0.538 33 S N -0.507 115.164 115.700 -0.048 0.000 2.615 33 S HA 0.422 4.892 4.470 -0.000 0.000 0.269 33 S C -1.756 172.842 174.600 -0.003 0.000 1.161 33 S CA -0.672 57.524 58.200 -0.006 0.000 0.817 33 S CB 1.477 64.701 63.200 0.041 0.000 1.131 33 S HN 0.746 nan 8.310 nan 0.000 0.467 34 D N 1.960 122.349 120.400 -0.018 0.000 2.892 34 D HA 0.233 4.872 4.640 -0.000 0.000 0.291 34 D C -0.731 175.538 176.300 -0.052 0.000 1.341 34 D CA -0.035 53.941 54.000 -0.041 0.000 0.844 34 D CB 0.746 41.515 40.800 -0.051 0.000 1.093 34 D HN 0.249 nan 8.370 nan 0.000 0.480 35 Q N 1.579 121.351 119.800 -0.047 0.000 2.333 35 Q HA 0.309 4.649 4.340 -0.000 0.000 0.267 35 Q C -0.230 175.636 176.000 -0.223 0.000 1.012 35 Q CA -0.532 55.190 55.803 -0.135 0.000 0.824 35 Q CB 2.449 31.120 28.738 -0.112 0.000 1.290 35 Q HN 0.293 nan 8.270 nan 0.000 0.449 36 R N 1.612 121.919 120.500 -0.321 0.000 2.720 36 R HA 0.663 5.003 4.340 -0.000 0.000 0.272 36 R C -0.977 175.036 176.300 -0.479 0.000 0.991 36 R CA -0.592 55.357 56.100 -0.251 0.000 1.010 36 R CB 1.055 31.167 30.300 -0.313 0.000 1.141 36 R HN 0.395 nan 8.270 nan 0.000 0.494 37 Y N -0.427 120.073 120.300 0.333 0.000 2.524 37 Y HA 0.359 4.909 4.550 -0.000 0.000 0.347 37 Y C -0.371 175.754 175.900 0.374 0.000 1.005 37 Y CA -1.277 57.014 58.100 0.319 0.000 1.025 37 Y CB 2.415 41.025 38.460 0.249 0.000 1.275 37 Y HN 0.249 nan 8.280 nan 0.000 0.460 38 V N 4.084 124.216 119.914 0.363 0.000 2.509 38 V HA 0.381 4.501 4.120 -0.000 0.000 0.284 38 V C -0.096 176.019 176.094 0.034 0.000 1.047 38 V CA -0.727 61.569 62.300 -0.008 0.000 0.952 38 V CB 0.907 32.649 31.823 -0.134 0.000 0.988 38 V HN 0.566 nan 8.190 nan 0.000 0.469 39 L N 4.249 125.382 121.223 -0.149 0.000 2.334 39 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 39 L C -1.181 175.510 176.870 -0.297 0.000 1.013 39 L CA -0.653 54.146 54.840 -0.070 0.000 0.816 39 L CB 1.768 43.758 42.059 -0.115 0.000 1.278 39 L HN 0.582 nan 8.230 nan 0.000 0.431 40 Y N 2.215 122.363 120.300 -0.254 0.000 2.712 40 Y HA 0.235 4.785 4.550 -0.000 0.000 0.328 40 Y C -1.508 174.025 175.900 -0.612 0.000 0.995 40 Y CA -1.679 56.225 58.100 -0.326 0.000 1.283 40 Y CB 0.850 39.205 38.460 -0.175 0.000 1.092 40 Y HN 0.454 nan 8.280 nan 0.000 0.519 41 P HA -0.281 nan 4.420 nan 0.000 0.222 41 P C 0.513 177.295 177.300 -0.864 0.000 1.154 41 P CA 1.795 63.932 63.100 -1.605 0.000 0.874 41 P CB 0.514 31.574 31.700 -1.065 0.000 0.787 42 N N -1.380 117.082 118.700 -0.396 0.000 2.333 42 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 42 N C 1.613 177.044 175.510 -0.132 0.000 1.030 42 N CA 0.801 53.736 53.050 -0.192 0.000 0.867 42 N CB -1.478 36.943 38.487 -0.109 0.000 1.027 42 N HN 0.091 nan 8.380 nan 0.000 0.435 43 N N -0.077 118.558 118.700 -0.108 0.000 2.289 43 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 43 N C -0.254 175.185 175.510 -0.118 0.000 1.016 43 N CA 0.177 53.161 53.050 -0.109 0.000 0.872 43 N CB -0.103 38.298 38.487 -0.143 0.000 0.973 43 N HN 0.096 nan 8.380 nan 0.000 0.433 44 F N 1.729 121.514 119.950 -0.275 0.000 2.538 44 F HA 0.104 4.631 4.527 -0.000 0.000 0.371 44 F C 0.289 175.908 175.800 -0.302 0.000 1.087 44 F CA -0.031 57.791 58.000 -0.295 0.000 1.250 44 F CB 0.338 39.125 39.000 -0.355 0.000 1.110 44 F HN 0.162 nan 8.300 nan 0.000 0.570 45 Q N 4.170 123.384 119.800 -0.976 0.000 2.565 45 Q HA 0.524 4.864 4.340 -0.000 0.000 0.294 45 Q C -2.009 173.251 176.000 -1.232 0.000 1.005 45 Q CA -1.016 54.310 55.803 -0.795 0.000 0.771 45 Q CB 2.010 30.513 28.738 -0.393 0.000 1.486 45 Q HN 0.500 nan 8.270 nan 0.000 0.422 46 F N 0.813 120.357 119.950 -0.678 0.000 2.469 46 F HA 0.469 4.996 4.527 -0.000 0.000 0.332 46 F C -0.264 174.977 175.800 -0.931 0.000 1.103 46 F CA -0.494 56.920 58.000 -0.976 0.000 0.979 46 F CB 2.072 40.106 39.000 -1.610 0.000 1.137 46 F HN 0.571 nan 8.300 nan 0.000 0.463 47 Q N 1.135 120.578 119.800 -0.595 0.000 2.379 47 Q HA 0.545 4.885 4.340 -0.000 0.000 0.278 47 Q C -2.067 173.744 176.000 -0.315 0.000 1.068 47 Q CA -1.137 54.424 55.803 -0.403 0.000 0.816 47 Q CB 1.886 30.487 28.738 -0.229 0.000 1.387 47 Q HN 0.568 nan 8.270 nan 0.000 0.413 48 Y N 0.617 120.907 120.300 -0.017 0.000 2.319 48 Y HA 0.238 4.788 4.550 -0.000 0.000 0.328 48 Y C 0.230 176.122 175.900 -0.014 0.000 1.133 48 Y CA -0.299 57.814 58.100 0.022 0.000 1.265 48 Y CB 0.886 39.380 38.460 0.056 0.000 1.218 48 Y HN 0.708 nan 8.280 nan 0.000 0.508 49 D N 0.956 121.435 120.400 0.131 0.000 2.372 49 D HA 0.053 4.693 4.640 -0.000 0.000 0.243 49 D C 0.843 177.184 176.300 0.068 0.000 1.121 49 D CA 0.085 54.123 54.000 0.064 0.000 0.898 49 D CB 1.401 42.224 40.800 0.037 0.000 1.202 49 D HN 0.362 nan 8.370 nan 0.000 0.428 50 V N 2.109 122.044 119.914 0.035 0.000 2.324 50 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 50 V C 1.588 177.690 176.094 0.014 0.000 1.060 50 V CA 2.203 64.515 62.300 0.021 0.000 1.042 50 V CB -0.668 31.160 31.823 0.007 0.000 0.650 50 V HN 0.706 nan 8.190 nan 0.000 0.450 51 S N -0.631 115.078 115.700 0.015 0.000 2.699 51 S HA 0.279 4.749 4.470 -0.000 0.000 0.251 51 S C 0.308 174.919 174.600 0.018 0.000 1.179 51 S CA -0.008 58.199 58.200 0.011 0.000 1.200 51 S CB 0.134 63.339 63.200 0.008 0.000 0.848 51 S HN 0.390 nan 8.310 nan 0.000 0.472 52 S N 0.328 116.044 115.700 0.027 0.000 2.549 52 S HA 0.735 5.205 4.470 -0.000 0.000 0.297 52 S C 1.050 175.652 174.600 0.002 0.000 1.115 52 S CA -0.235 57.987 58.200 0.036 0.000 1.059 52 S CB 1.399 64.657 63.200 0.096 0.000 1.046 52 S HN 0.453 nan 8.310 nan 0.000 0.506 53 A N 3.852 126.668 122.820 -0.006 0.000 1.874 53 A HA 0.473 4.792 4.320 -0.000 0.000 0.214 53 A C 1.276 178.818 177.584 -0.070 0.000 1.189 53 A CA 0.958 52.974 52.037 -0.035 0.000 0.615 53 A CB -1.131 17.852 19.000 -0.029 0.000 0.830 53 A HN 1.255 nan 8.150 nan 0.000 0.443 54 A N -0.210 122.575 122.820 -0.058 0.000 2.451 54 A HA 0.523 4.843 4.320 -0.000 0.000 0.266 54 A C -0.033 177.403 177.584 -0.246 0.000 1.119 54 A CA 0.185 52.158 52.037 -0.107 0.000 0.786 54 A CB 0.167 19.156 19.000 -0.019 0.000 1.061 54 A HN 0.485 nan 8.150 nan 0.000 0.503 55 Q N 1.541 121.031 119.800 -0.517 0.000 2.544 55 Q HA 0.556 4.896 4.340 -0.000 0.000 0.291 55 Q C -2.863 172.530 176.000 -1.011 0.000 1.068 55 Q CA -1.898 53.408 55.803 -0.829 0.000 0.785 55 Q CB 1.973 30.497 28.738 -0.357 0.000 1.481 55 Q HN 0.419 nan 8.270 nan 0.000 0.430 56 P HA 0.132 nan 4.420 nan 0.000 0.262 56 P C -0.012 177.169 177.300 -0.199 0.000 1.182 56 P CA 1.580 64.488 63.100 -0.320 0.000 0.761 56 P CB 0.362 32.022 31.700 -0.065 0.000 0.795 57 G N 1.978 110.708 108.800 -0.116 0.000 2.184 57 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.206 57 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.206 57 G C 0.164 174.997 174.900 -0.111 0.000 0.995 57 G CA -0.255 44.789 45.100 -0.093 0.000 0.651 57 G HN 0.733 nan 8.290 nan 0.000 0.511 58 c N 3.435 121.946 118.600 -0.148 0.000 2.383 58 c HA 0.602 5.172 4.570 -0.000 0.000 0.350 58 c C 2.400 176.419 174.090 -0.118 0.000 1.173 58 c CA 0.585 56.825 56.329 -0.147 0.000 1.645 58 c CB -1.024 41.380 42.510 -0.177 0.000 2.221 58 c HN 0.917 nan 8.230 nan 0.000 0.528 59 S N 3.944 119.583 115.700 -0.101 0.000 2.402 59 S HA -0.150 4.320 4.470 -0.000 0.000 0.233 59 S C 1.580 176.113 174.600 -0.112 0.000 1.030 59 S CA 1.918 60.069 58.200 -0.081 0.000 1.003 59 S CB -0.452 62.717 63.200 -0.051 0.000 0.813 59 S HN 0.680 nan 8.310 nan 0.000 0.477 60 V N 2.284 122.102 119.914 -0.159 0.000 2.239 60 V HA -0.081 4.039 4.120 -0.000 0.000 0.242 60 V C 2.582 178.510 176.094 -0.276 0.000 1.038 60 V CA 1.858 64.042 62.300 -0.194 0.000 1.002 60 V CB -0.820 30.838 31.823 -0.276 0.000 0.641 60 V HN 0.454 nan 8.190 nan 0.000 0.449 61 L N -0.354 120.645 121.223 -0.374 0.000 1.994 61 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 61 L C 2.425 178.743 176.870 -0.920 0.000 1.071 61 L CA 1.652 56.059 54.840 -0.722 0.000 0.745 61 L CB -1.041 40.614 42.059 -0.674 0.000 0.892 61 L HN 0.301 nan 8.230 nan 0.000 0.431 62 D N 0.107 120.254 120.400 -0.422 0.000 2.191 62 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 62 D C 2.193 178.426 176.300 -0.111 0.000 1.007 62 D CA 1.443 55.362 54.000 -0.136 0.000 0.865 62 D CB -0.110 40.686 40.800 -0.006 0.000 0.929 62 D HN 0.296 nan 8.370 nan 0.000 0.447 63 E N 0.284 120.398 120.200 -0.143 0.000 2.046 63 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 63 E C 2.150 178.701 176.600 -0.081 0.000 0.982 63 E CA 0.934 57.285 56.400 -0.082 0.000 0.800 63 E CB -0.637 29.011 29.700 -0.087 0.000 0.756 63 E HN 0.250 nan 8.360 nan 0.000 0.449 64 A N 1.282 124.002 122.820 -0.166 0.000 1.892 64 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 64 A C 2.076 179.663 177.584 0.005 0.000 1.188 64 A CA 1.531 53.527 52.037 -0.068 0.000 0.631 64 A CB -0.922 17.972 19.000 -0.176 0.000 0.822 64 A HN 0.154 nan 8.150 nan 0.000 0.447 65 F N -0.104 119.701 119.950 -0.241 0.000 2.087 65 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 65 F C 2.710 178.473 175.800 -0.062 0.000 1.100 65 F CA 1.655 59.398 58.000 -0.427 0.000 1.226 65 F CB -1.031 37.839 39.000 -0.215 0.000 0.983 65 F HN 0.271 nan 8.300 nan 0.000 0.479 66 Q N 0.146 120.081 119.800 0.226 0.000 2.187 66 Q HA -0.117 4.223 4.340 -0.000 0.000 0.199 66 Q C 2.463 178.547 176.000 0.140 0.000 0.957 66 Q CA 0.848 56.770 55.803 0.198 0.000 0.857 66 Q CB -0.245 28.579 28.738 0.143 0.000 0.929 66 Q HN 0.410 nan 8.270 nan 0.000 0.453 67 R N -0.884 119.663 120.500 0.079 0.000 2.070 67 R HA -0.159 4.181 4.340 -0.000 0.000 0.233 67 R C 1.879 178.174 176.300 -0.009 0.000 1.137 67 R CA 1.478 57.577 56.100 -0.001 0.000 0.945 67 R CB -0.263 29.988 30.300 -0.081 0.000 0.845 67 R HN 0.194 nan 8.270 nan 0.000 0.430 68 Y N 0.665 120.976 120.300 0.019 0.000 2.439 68 Y HA -0.120 4.430 4.550 -0.000 0.000 0.292 68 Y C 2.433 178.407 175.900 0.123 0.000 1.130 68 Y CA 1.685 59.812 58.100 0.045 0.000 1.254 68 Y CB -0.032 38.432 38.460 0.006 0.000 1.000 68 Y HN 0.222 nan 8.280 nan 0.000 0.554 69 R N 0.071 120.799 120.500 0.380 0.000 2.115 69 R HA -0.146 4.194 4.340 -0.000 0.000 0.226 69 R C 1.632 178.052 176.300 0.201 0.000 1.100 69 R CA 1.941 58.293 56.100 0.420 0.000 0.980 69 R CB -0.581 30.049 30.300 0.551 0.000 0.875 69 R HN 0.229 nan 8.270 nan 0.000 0.445 70 D N 0.240 120.717 120.400 0.129 0.000 2.144 70 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 70 D C 1.743 178.032 176.300 -0.017 0.000 0.978 70 D CA 0.829 54.865 54.000 0.060 0.000 0.833 70 D CB 0.115 40.938 40.800 0.039 0.000 0.961 70 D HN 0.235 nan 8.370 nan 0.000 0.470 71 L N 0.079 121.263 121.223 -0.064 0.000 2.056 71 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 71 L C 2.207 178.970 176.870 -0.179 0.000 1.078 71 L CA 0.901 55.665 54.840 -0.126 0.000 0.749 71 L CB -0.421 41.535 42.059 -0.172 0.000 0.901 71 L HN 0.234 nan 8.230 nan 0.000 0.433 72 L N -1.846 119.192 121.223 -0.308 0.000 2.049 72 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 72 L C 1.781 178.301 176.870 -0.582 0.000 1.074 72 L CA 1.848 56.296 54.840 -0.653 0.000 0.749 72 L CB -0.929 40.319 42.059 -1.351 0.000 0.907 72 L HN 0.230 nan 8.230 nan 0.000 0.439 73 F N -1.069 118.852 119.950 -0.047 0.000 2.661 73 F HA 0.409 4.936 4.527 -0.000 0.000 0.306 73 F C 1.237 177.018 175.800 -0.033 0.000 1.094 73 F CA -0.663 57.271 58.000 -0.111 0.000 1.254 73 F CB -0.610 38.261 39.000 -0.216 0.000 1.040 73 F HN -0.082 nan 8.300 nan 0.000 0.562 90 L N -0.937 120.475 121.223 0.315 0.000 2.370 90 L HA 0.993 5.333 4.340 -0.000 0.000 0.266 90 L C -0.959 176.056 176.870 0.241 0.000 1.002 90 L CA -0.828 54.207 54.840 0.325 0.000 0.818 90 L CB 1.530 43.798 42.059 0.348 0.000 1.325 90 L HN 0.494 nan 8.230 nan 0.000 0.418 91 E N 1.461 121.817 120.200 0.260 0.000 2.224 91 E HA 0.367 4.716 4.350 -0.000 0.000 0.265 91 E C -0.597 176.139 176.600 0.227 0.000 0.878 91 E CA -0.449 56.053 56.400 0.170 0.000 0.759 91 E CB 2.636 32.422 29.700 0.143 0.000 1.164 91 E HN 0.629 nan 8.360 nan 0.000 0.414 92 K N 0.751 121.193 120.400 0.069 0.000 2.370 92 K HA 0.208 4.528 4.320 -0.000 0.000 0.194 92 K C 0.038 176.453 176.600 -0.308 0.000 1.070 92 K CA 0.363 56.640 56.287 -0.017 0.000 0.998 92 K CB 0.584 32.991 32.500 -0.154 0.000 0.911 92 K HN 0.272 nan 8.250 nan 0.000 0.533 93 N N 0.039 118.547 118.700 -0.320 0.000 2.225 93 N HA 0.202 4.942 4.740 -0.000 0.000 0.298 93 N C -1.754 173.493 175.510 -0.439 0.000 1.076 93 N CA -0.493 52.222 53.050 -0.558 0.000 0.792 93 N CB 2.771 41.038 38.487 -0.367 0.000 1.498 93 N HN -0.248 nan 8.380 nan 0.000 0.474 94 V N 2.968 122.516 119.914 -0.611 0.000 2.417 94 V HA 0.454 4.574 4.120 -0.000 0.000 0.291 94 V C -0.544 175.353 176.094 -0.329 0.000 1.024 94 V CA -0.619 61.446 62.300 -0.392 0.000 0.861 94 V CB 0.981 32.531 31.823 -0.455 0.000 0.985 94 V HN 0.461 nan 8.190 nan 0.000 0.436 95 L N 6.944 128.033 121.223 -0.224 0.000 2.305 95 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 95 L C -0.452 176.348 176.870 -0.118 0.000 1.085 95 L CA -0.274 54.468 54.840 -0.163 0.000 0.813 95 L CB 1.578 43.574 42.059 -0.105 0.000 1.157 95 L HN 0.379 nan 8.230 nan 0.000 0.436 96 V N 4.194 124.052 119.914 -0.093 0.000 2.487 96 V HA 0.558 4.678 4.120 -0.000 0.000 0.298 96 V C -0.502 175.630 176.094 0.063 0.000 1.028 96 V CA -0.670 61.624 62.300 -0.009 0.000 0.860 96 V CB 2.162 34.006 31.823 0.035 0.000 0.991 96 V HN 0.466 nan 8.190 nan 0.000 0.427 97 V N 4.151 124.106 119.914 0.067 0.000 2.612 97 V HA 0.684 4.804 4.120 -0.000 0.000 0.301 97 V C -0.626 175.508 176.094 0.066 0.000 1.059 97 V CA 0.059 62.406 62.300 0.078 0.000 0.886 97 V CB 2.332 34.186 31.823 0.052 0.000 1.007 97 V HN 0.892 nan 8.190 nan 0.000 0.426 98 S N 4.596 120.332 115.700 0.061 0.000 2.474 98 S HA 0.457 4.927 4.470 -0.000 0.000 0.321 98 S C 0.822 175.435 174.600 0.021 0.000 1.080 98 S CA -0.066 58.154 58.200 0.034 0.000 1.106 98 S CB 1.434 64.636 63.200 0.003 0.000 0.984 98 S HN 1.366 nan 8.310 nan 0.000 0.464 99 V N 4.429 124.358 119.914 0.025 0.000 2.323 99 V HA 0.105 4.225 4.120 -0.000 0.000 0.244 99 V C 0.855 176.954 176.094 0.008 0.000 1.041 99 V CA 0.862 63.172 62.300 0.017 0.000 1.025 99 V CB -1.148 30.687 31.823 0.019 0.000 0.656 99 V HN 0.620 nan 8.190 nan 0.000 0.451 100 V N 2.079 122.000 119.914 0.012 0.000 2.479 100 V HA 0.103 4.223 4.120 -0.000 0.000 0.281 100 V C 1.791 177.880 176.094 -0.008 0.000 1.031 100 V CA 0.873 63.179 62.300 0.009 0.000 1.038 100 V CB 0.022 31.862 31.823 0.027 0.000 0.981 100 V HN 0.547 nan 8.190 nan 0.000 0.478 101 T N 5.923 120.470 114.554 -0.011 0.000 2.720 101 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 101 T C -0.966 173.710 174.700 -0.039 0.000 1.037 101 T CA 0.971 63.055 62.100 -0.027 0.000 1.144 101 T CB -1.113 67.742 68.868 -0.021 0.000 0.864 101 T HN 0.655 nan 8.240 nan 0.000 0.444 102 P HA -0.160 nan 4.420 nan 0.000 0.039 102 P C 1.124 178.394 177.300 -0.050 0.000 0.533 102 P CA 0.931 64.029 63.100 -0.004 0.000 1.039 102 P CB -1.188 30.538 31.700 0.043 0.000 1.802 103 G N 0.912 109.681 108.800 -0.052 0.000 2.896 103 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.656 103 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.656 103 G C 1.049 175.867 174.900 -0.135 0.000 1.036 103 G CA 1.011 46.065 45.100 -0.077 0.000 0.822 103 G HN 0.587 nan 8.290 nan 0.000 0.897 104 c N -1.380 117.149 118.600 -0.117 0.000 3.993 104 c HA 0.308 4.878 4.570 -0.000 0.000 0.337 104 c C 1.366 175.410 174.090 -0.076 0.000 2.767 104 c CA 0.455 56.682 56.329 -0.170 0.000 1.487 104 c CB -1.428 40.979 42.510 -0.170 0.000 2.755 104 c HN 0.670 nan 8.230 nan 0.000 0.401 105 N N 0.215 118.910 118.700 -0.008 0.000 2.317 105 N HA 0.091 4.831 4.740 -0.000 0.000 0.199 105 N C -0.242 175.327 175.510 0.098 0.000 1.145 105 N CA -0.080 52.992 53.050 0.035 0.000 0.882 105 N CB 0.169 38.666 38.487 0.017 0.000 1.113 105 N HN 0.501 nan 8.380 nan 0.000 0.486 106 Q N 2.372 122.253 119.800 0.135 0.000 2.288 106 Q HA 0.314 4.654 4.340 -0.000 0.000 0.254 106 Q C 0.124 176.320 176.000 0.325 0.000 0.932 106 Q CA -0.548 55.367 55.803 0.186 0.000 0.902 106 Q CB 0.612 29.446 28.738 0.161 0.000 1.203 106 Q HN 0.094 nan 8.270 nan 0.000 0.415 107 L N 0.082 121.437 121.223 0.220 0.000 2.476 107 L HA 0.569 4.909 4.340 -0.000 0.000 0.255 107 L C -2.067 174.794 176.870 -0.015 0.000 1.218 107 L CA -1.991 52.934 54.840 0.143 0.000 0.819 107 L CB -1.124 40.979 42.059 0.074 0.000 1.119 107 L HN 0.547 nan 8.230 nan 0.000 0.485 108 P HA 0.193 nan 4.420 nan 0.000 0.271 108 P C -0.421 176.756 177.300 -0.205 0.000 1.218 108 P CA 0.013 62.755 63.100 -0.596 0.000 0.780 108 P CB 0.895 32.067 31.700 -0.879 0.000 0.901 109 T N -0.910 113.565 114.554 -0.130 0.000 2.930 109 T HA 0.244 4.594 4.350 -0.000 0.000 0.290 109 T C 0.899 175.606 174.700 0.012 0.000 1.052 109 T CA -0.845 61.257 62.100 0.002 0.000 1.017 109 T CB 0.962 69.847 68.868 0.028 0.000 1.137 109 T HN 0.130 nan 8.240 nan 0.000 0.511 110 L N 0.466 121.749 121.223 0.100 0.000 2.349 110 L HA 0.091 4.430 4.340 -0.000 0.000 0.220 110 L C 1.598 178.501 176.870 0.054 0.000 1.130 110 L CA 1.804 56.698 54.840 0.090 0.000 0.791 110 L CB -0.866 41.275 42.059 0.135 0.000 0.918 110 L HN 0.779 nan 8.230 nan 0.000 0.444 111 E N -1.427 118.796 120.200 0.037 0.000 2.481 111 E HA 0.181 4.531 4.350 -0.000 0.000 0.198 111 E C 0.574 177.195 176.600 0.035 0.000 1.027 111 E CA 0.005 56.420 56.400 0.026 0.000 0.900 111 E CB 0.107 29.810 29.700 0.006 0.000 0.993 111 E HN 0.262 nan 8.360 nan 0.000 0.482 112 S N 0.734 116.452 115.700 0.032 0.000 2.549 112 S HA 0.119 4.589 4.470 -0.000 0.000 0.286 112 S C 0.226 174.884 174.600 0.097 0.000 1.314 112 S CA -0.407 57.834 58.200 0.069 0.000 1.062 112 S CB 0.950 64.126 63.200 -0.039 0.000 0.865 112 S HN -0.029 nan 8.310 nan 0.000 0.498 113 V N 3.572 123.574 119.914 0.147 0.000 2.406 113 V HA 0.192 4.312 4.120 -0.000 0.000 0.272 113 V C 0.738 176.950 176.094 0.198 0.000 1.043 113 V CA -0.159 62.218 62.300 0.128 0.000 0.915 113 V CB 1.086 32.963 31.823 0.090 0.000 0.988 113 V HN 0.936 nan 8.190 nan 0.000 0.466 114 E N 2.644 122.954 120.200 0.183 0.000 2.499 114 E HA 0.173 4.523 4.350 -0.000 0.000 0.199 114 E C -0.078 176.716 176.600 0.322 0.000 1.016 114 E CA -0.322 56.244 56.400 0.277 0.000 0.933 114 E CB 0.189 30.055 29.700 0.277 0.000 1.050 114 E HN 0.657 nan 8.360 nan 0.000 0.462 115 N N 1.670 120.500 118.700 0.216 0.000 2.458 115 N HA 0.031 4.771 4.740 -0.000 0.000 0.258 115 N C -0.752 174.927 175.510 0.281 0.000 1.219 115 N CA 0.538 53.698 53.050 0.183 0.000 0.902 115 N CB 0.185 38.712 38.487 0.066 0.000 1.076 115 N HN 0.156 nan 8.380 nan 0.000 0.455 116 Y N -2.534 117.863 120.300 0.161 0.000 2.592 116 Y HA 0.611 5.161 4.550 -0.000 0.000 0.334 116 Y C -1.034 174.941 175.900 0.125 0.000 1.136 116 Y CA -1.277 56.902 58.100 0.131 0.000 1.042 116 Y CB 0.869 39.413 38.460 0.139 0.000 1.325 116 Y HN 0.396 nan 8.280 nan 0.000 0.457 117 T N 1.909 116.578 114.554 0.191 0.000 2.881 117 T HA 0.595 4.945 4.350 -0.000 0.000 0.291 117 T C -1.691 173.139 174.700 0.216 0.000 0.990 117 T CA -0.569 61.597 62.100 0.110 0.000 0.976 117 T CB 1.478 70.386 68.868 0.066 0.000 0.970 117 T HN 0.817 nan 8.240 nan 0.000 0.438 118 L N 3.520 124.885 121.223 0.238 0.000 2.265 118 L HA 0.628 4.968 4.340 -0.000 0.000 0.289 118 L C -0.348 176.621 176.870 0.165 0.000 1.033 118 L CA 0.110 55.079 54.840 0.215 0.000 0.814 118 L CB 1.436 43.661 42.059 0.277 0.000 1.203 118 L HN 0.927 nan 8.230 nan 0.000 0.423 119 T N 6.541 121.165 114.554 0.117 0.000 2.864 119 T HA 0.565 4.915 4.350 -0.000 0.000 0.310 119 T C -0.244 174.506 174.700 0.083 0.000 1.040 119 T CA -0.077 62.083 62.100 0.100 0.000 0.977 119 T CB 0.384 69.293 68.868 0.068 0.000 0.976 119 T HN 0.333 nan 8.240 nan 0.000 0.459 120 I N 5.471 126.112 120.570 0.119 0.000 2.411 120 I HA 0.453 4.623 4.170 -0.000 0.000 0.284 120 I C 0.151 176.319 176.117 0.085 0.000 1.012 120 I CA -0.547 60.806 61.300 0.089 0.000 1.119 120 I CB 0.832 38.945 38.000 0.188 0.000 1.261 120 I HN 0.697 nan 8.210 nan 0.000 0.448 121 N N 2.803 121.488 118.700 -0.025 0.000 3.439 121 N HA 0.281 5.021 4.740 -0.000 0.000 0.313 121 N C -0.478 174.999 175.510 -0.055 0.000 1.598 121 N CA -0.693 52.390 53.050 0.054 0.000 0.830 121 N CB 0.934 39.485 38.487 0.107 0.000 1.849 121 N HN 0.176 nan 8.380 nan 0.000 0.598 122 D N -0.048 120.440 120.400 0.147 0.000 2.219 122 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 122 D C 0.618 176.952 176.300 0.056 0.000 0.970 122 D CA 1.197 55.299 54.000 0.169 0.000 0.851 122 D CB 0.054 40.974 40.800 0.200 0.000 0.943 122 D HN 0.365 nan 8.370 nan 0.000 0.488 123 D N -0.415 120.002 120.400 0.029 0.000 2.201 123 D HA 0.024 4.664 4.640 -0.000 0.000 0.209 123 D C 0.992 177.279 176.300 -0.022 0.000 0.961 123 D CA 0.689 54.694 54.000 0.009 0.000 0.861 123 D CB 0.391 41.201 40.800 0.017 0.000 0.997 123 D HN 0.415 nan 8.370 nan 0.000 0.486 124 Q N -1.317 118.459 119.800 -0.041 0.000 2.693 124 Q HA 0.523 4.863 4.340 -0.000 0.000 0.306 124 Q C -1.374 174.577 176.000 -0.081 0.000 0.969 124 Q CA -0.962 54.807 55.803 -0.056 0.000 0.757 124 Q CB 2.493 31.211 28.738 -0.032 0.000 1.494 124 Q HN 0.049 nan 8.270 nan 0.000 0.459 125 C N 1.479 120.734 119.300 -0.076 0.000 2.679 125 C HA 0.709 5.169 4.460 -0.000 0.000 0.354 125 C C -1.518 173.425 174.990 -0.078 0.000 1.067 125 C CA -0.243 58.732 59.018 -0.072 0.000 1.317 125 C CB 0.056 27.747 27.740 -0.080 0.000 1.843 125 C HN 0.764 nan 8.230 nan 0.000 0.459 126 L N 5.882 127.078 121.223 -0.045 0.000 2.408 126 L HA 0.604 4.944 4.340 -0.000 0.000 0.268 126 L C -0.984 175.878 176.870 -0.014 0.000 0.986 126 L CA -0.682 54.136 54.840 -0.035 0.000 0.820 126 L CB 1.957 44.013 42.059 -0.005 0.000 1.303 126 L HN 0.727 nan 8.230 nan 0.000 0.411 127 L N 6.074 127.283 121.223 -0.023 0.000 2.435 127 L HA 0.345 4.685 4.340 -0.000 0.000 0.253 127 L C -1.028 175.876 176.870 0.056 0.000 1.087 127 L CA -0.686 54.168 54.840 0.022 0.000 0.950 127 L CB 1.285 43.323 42.059 -0.035 0.000 1.304 127 L HN 0.465 nan 8.230 nan 0.000 0.453 128 L N 4.253 125.526 121.223 0.083 0.000 2.283 128 L HA 0.372 4.712 4.340 -0.000 0.000 0.287 128 L C 0.190 177.136 176.870 0.127 0.000 1.073 128 L CA 0.300 55.190 54.840 0.083 0.000 0.822 128 L CB 1.055 43.151 42.059 0.062 0.000 1.186 128 L HN 0.562 nan 8.230 nan 0.000 0.436 129 S N 2.016 117.787 115.700 0.119 0.000 2.593 129 S HA 0.478 4.948 4.470 -0.000 0.000 0.297 129 S C 0.671 175.333 174.600 0.104 0.000 1.112 129 S CA -0.532 57.759 58.200 0.152 0.000 1.043 129 S CB 1.754 65.035 63.200 0.135 0.000 1.054 129 S HN 0.654 nan 8.310 nan 0.000 0.516 130 E N 1.681 121.950 120.200 0.114 0.000 2.016 130 E HA 0.058 4.408 4.350 -0.000 0.000 0.190 130 E C 0.371 177.011 176.600 0.068 0.000 0.985 130 E CA 1.456 57.903 56.400 0.079 0.000 0.802 130 E CB -0.236 29.511 29.700 0.077 0.000 0.762 130 E HN 0.839 nan 8.360 nan 0.000 0.448 131 T N -0.635 113.973 114.554 0.091 0.000 2.940 131 T HA 0.196 4.546 4.350 -0.000 0.000 0.288 131 T C 1.034 175.709 174.700 -0.041 0.000 1.045 131 T CA -0.098 62.031 62.100 0.047 0.000 1.018 131 T CB 1.445 70.401 68.868 0.147 0.000 1.151 131 T HN -0.027 nan 8.240 nan 0.000 0.529 132 V N -0.103 119.662 119.914 -0.247 0.000 2.453 132 V HA -0.184 3.936 4.120 -0.000 0.000 0.252 132 V C 1.328 177.163 176.094 -0.433 0.000 1.068 132 V CA 1.857 63.889 62.300 -0.447 0.000 1.070 132 V CB -0.719 30.665 31.823 -0.732 0.000 0.664 132 V HN 0.891 nan 8.190 nan 0.000 0.461 133 W N 0.172 121.491 121.300 0.031 0.000 2.476 133 W HA 0.231 4.891 4.660 -0.000 0.000 0.281 133 W C 2.547 179.105 176.519 0.066 0.000 1.230 133 W CA 0.563 57.932 57.345 0.039 0.000 1.287 133 W CB -1.001 28.494 29.460 0.059 0.000 1.108 133 W HN 0.262 nan 8.180 nan 0.000 0.567 134 G N 0.929 109.901 108.800 0.286 0.000 2.450 134 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 134 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 134 G C 1.668 176.642 174.900 0.122 0.000 1.130 134 G CA 1.368 46.638 45.100 0.283 0.000 0.760 134 G HN 0.307 nan 8.290 nan 0.000 0.557 135 A N 0.224 123.066 122.820 0.036 0.000 1.968 135 A HA 0.248 4.568 4.320 -0.000 0.000 0.217 135 A C 2.373 179.870 177.584 -0.146 0.000 1.169 135 A CA 0.803 52.803 52.037 -0.063 0.000 0.638 135 A CB -0.256 18.714 19.000 -0.051 0.000 0.812 135 A HN 0.351 nan 8.150 nan 0.000 0.446 136 L N -0.788 120.383 121.223 -0.086 0.000 2.083 136 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 136 L C 2.772 179.555 176.870 -0.145 0.000 1.083 136 L CA 0.892 55.678 54.840 -0.089 0.000 0.752 136 L CB -0.353 41.739 42.059 0.055 0.000 0.899 136 L HN 0.299 nan 8.230 nan 0.000 0.433 137 R N -0.141 120.277 120.500 -0.137 0.000 2.090 137 R HA -0.039 4.301 4.340 -0.000 0.000 0.228 137 R C 2.228 178.124 176.300 -0.673 0.000 1.110 137 R CA 1.329 57.269 56.100 -0.266 0.000 0.973 137 R CB -1.170 29.146 30.300 0.026 0.000 0.869 137 R HN 0.370 nan 8.270 nan 0.000 0.440 138 G N 0.923 109.176 108.800 -0.910 0.000 2.422 138 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 138 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 138 G C 1.599 176.277 174.900 -0.370 0.000 1.140 138 G CA 0.125 44.670 45.100 -0.925 0.000 0.775 138 G HN 0.155 nan 8.290 nan 0.000 0.545 139 L N -0.094 120.919 121.223 -0.351 0.000 2.072 139 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 139 L C 2.769 179.373 176.870 -0.444 0.000 1.079 139 L CA 1.298 55.910 54.840 -0.380 0.000 0.752 139 L CB -0.180 41.490 42.059 -0.650 0.000 0.906 139 L HN 0.216 nan 8.230 nan 0.000 0.436 140 E N 0.064 120.024 120.200 -0.400 0.000 2.017 140 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 140 E C 1.986 178.550 176.600 -0.059 0.000 0.997 140 E CA 2.210 58.553 56.400 -0.094 0.000 0.804 140 E CB -0.409 29.304 29.700 0.021 0.000 0.757 140 E HN 0.264 nan 8.360 nan 0.000 0.448 141 T N 0.678 115.141 114.554 -0.151 0.000 2.592 141 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 141 T C 1.557 176.253 174.700 -0.008 0.000 1.060 141 T CA 1.799 63.830 62.100 -0.115 0.000 1.167 141 T CB -0.817 67.992 68.868 -0.097 0.000 0.863 141 T HN 0.304 nan 8.240 nan 0.000 0.431 142 F N 2.459 122.352 119.950 -0.095 0.000 2.161 142 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 142 F C 2.649 178.465 175.800 0.026 0.000 1.089 142 F CA 1.624 59.620 58.000 -0.006 0.000 1.282 142 F CB -0.708 38.307 39.000 0.026 0.000 1.010 142 F HN 0.257 nan 8.300 nan 0.000 0.485 143 S N -0.208 115.471 115.700 -0.035 0.000 2.370 143 S HA -0.293 4.177 4.470 -0.000 0.000 0.226 143 S C 1.876 176.418 174.600 -0.097 0.000 1.033 143 S CA 1.539 59.705 58.200 -0.056 0.000 1.011 143 S CB -0.939 62.403 63.200 0.237 0.000 0.852 143 S HN 0.682 nan 8.310 nan 0.000 0.457 144 Q N 0.438 120.220 119.800 -0.030 0.000 2.297 144 Q HA 0.213 4.553 4.340 -0.000 0.000 0.204 144 Q C 2.175 178.189 176.000 0.024 0.000 0.962 144 Q CA 0.823 56.634 55.803 0.014 0.000 0.879 144 Q CB -0.302 28.451 28.738 0.025 0.000 0.947 144 Q HN 0.568 nan 8.270 nan 0.000 0.462 145 L N 0.091 121.286 121.223 -0.046 0.000 2.179 145 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 145 L C 0.738 177.689 176.870 0.135 0.000 1.096 145 L CA 0.053 54.909 54.840 0.028 0.000 0.779 145 L CB 0.117 42.193 42.059 0.028 0.000 0.922 145 L HN -0.016 nan 8.230 nan 0.000 0.443 146 V N 1.113 120.990 119.914 -0.063 0.000 2.673 146 V HA -0.077 4.043 4.120 -0.000 0.000 0.303 146 V C -0.278 175.952 176.094 0.227 0.000 1.046 146 V CA 0.219 62.523 62.300 0.007 0.000 1.126 146 V CB 0.049 31.727 31.823 -0.241 0.000 0.934 146 V HN 0.350 nan 8.190 nan 0.000 0.487 147 W N 4.077 125.419 121.300 0.070 0.000 3.296 147 W HA 0.652 5.312 4.660 -0.000 0.000 0.314 147 W C -1.309 175.252 176.519 0.069 0.000 1.238 147 W CA -1.404 55.983 57.345 0.071 0.000 1.193 147 W CB 1.491 30.999 29.460 0.080 0.000 1.383 147 W HN 0.598 nan 8.180 nan 0.000 0.545 148 K N 1.410 121.801 120.400 -0.015 0.000 2.208 148 K HA 0.678 4.998 4.320 -0.000 0.000 0.247 148 K C 0.325 176.938 176.600 0.021 0.000 0.953 148 K CA -0.515 55.595 56.287 -0.295 0.000 0.837 148 K CB 2.311 34.488 32.500 -0.539 0.000 1.131 148 K HN 0.476 nan 8.250 nan 0.000 0.431 149 S N 0.822 116.494 115.700 -0.046 0.000 2.552 149 S HA 0.301 4.771 4.470 -0.000 0.000 0.271 149 S C 1.317 175.964 174.600 0.077 0.000 1.168 149 S CA -0.270 58.038 58.200 0.179 0.000 1.026 149 S CB 0.386 63.721 63.200 0.225 0.000 1.120 149 S HN 0.737 nan 8.310 nan 0.000 0.514 150 A N -0.093 122.781 122.820 0.089 0.000 2.067 150 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 150 A C 1.657 179.243 177.584 0.005 0.000 1.156 150 A CA 0.807 52.871 52.037 0.045 0.000 0.683 150 A CB -0.833 18.200 19.000 0.056 0.000 0.808 150 A HN 0.771 nan 8.150 nan 0.000 0.455 151 E N -0.843 119.356 120.200 -0.002 0.000 2.502 151 E HA 0.301 4.651 4.350 -0.000 0.000 0.194 151 E C 1.131 177.668 176.600 -0.104 0.000 1.062 151 E CA 0.594 56.972 56.400 -0.036 0.000 0.867 151 E CB -0.152 29.538 29.700 -0.017 0.000 0.888 151 E HN 0.655 nan 8.360 nan 0.000 0.510 152 G N 0.986 109.697 108.800 -0.148 0.000 2.153 152 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 152 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 152 G C 0.220 174.846 174.900 -0.456 0.000 0.994 152 G CA 0.513 45.448 45.100 -0.275 0.000 0.698 152 G HN 0.282 nan 8.290 nan 0.000 0.521 153 T N 0.841 115.148 114.554 -0.413 0.000 2.794 153 T HA 0.514 4.864 4.350 -0.000 0.000 0.296 153 T C 0.236 174.446 174.700 -0.817 0.000 0.949 153 T CA -0.197 61.556 62.100 -0.578 0.000 1.101 153 T CB 0.905 69.420 68.868 -0.589 0.000 0.905 153 T HN 0.191 nan 8.240 nan 0.000 0.516 154 F N 3.237 122.798 119.950 -0.649 0.000 2.472 154 F HA 0.454 4.981 4.527 -0.000 0.000 0.364 154 F C 0.109 175.425 175.800 -0.807 0.000 1.090 154 F CA -0.443 57.216 58.000 -0.569 0.000 1.188 154 F CB 0.076 38.877 39.000 -0.333 0.000 1.105 154 F HN 0.437 nan 8.300 nan 0.000 0.536 155 F N 3.484 123.108 119.950 -0.544 0.000 2.593 155 F HA 0.687 5.214 4.527 -0.000 0.000 0.320 155 F C -0.621 174.982 175.800 -0.328 0.000 1.060 155 F CA -1.357 56.279 58.000 -0.608 0.000 0.940 155 F CB 1.913 40.159 39.000 -1.257 0.000 1.268 155 F HN 0.156 nan 8.300 nan 0.000 0.475 156 I N 1.981 122.773 120.570 0.370 0.000 2.619 156 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 156 I C -1.326 175.175 176.117 0.641 0.000 1.100 156 I CA -0.406 61.194 61.300 0.500 0.000 1.043 156 I CB 1.593 39.829 38.000 0.393 0.000 1.239 156 I HN 0.434 nan 8.210 nan 0.000 0.420 157 N N 5.320 124.377 118.700 0.594 0.000 2.479 157 N HA 0.287 5.027 4.740 -0.000 0.000 0.285 157 N C -0.832 174.954 175.510 0.460 0.000 1.075 157 N CA -0.496 52.822 53.050 0.448 0.000 0.967 157 N CB 1.061 39.728 38.487 0.300 0.000 1.137 157 N HN 0.426 nan 8.380 nan 0.000 0.472 158 K N 1.029 121.702 120.400 0.456 0.000 2.440 158 K HA -0.026 4.294 4.320 -0.000 0.000 0.275 158 K C -0.463 176.314 176.600 0.295 0.000 1.082 158 K CA 0.789 57.357 56.287 0.467 0.000 1.135 158 K CB -0.013 32.695 32.500 0.347 0.000 0.864 158 K HN 0.517 nan 8.250 nan 0.000 0.479 159 T N 2.859 117.586 114.554 0.288 0.000 2.900 159 T HA 0.273 4.623 4.350 -0.000 0.000 0.303 159 T C -1.967 172.866 174.700 0.221 0.000 1.142 159 T CA -0.833 61.431 62.100 0.273 0.000 1.007 159 T CB 1.523 70.658 68.868 0.446 0.000 1.156 159 T HN 0.625 nan 8.240 nan 0.000 0.490 160 E N 3.603 123.915 120.200 0.188 0.000 2.255 160 E HA 0.580 4.930 4.350 -0.000 0.000 0.256 160 E C -1.378 175.344 176.600 0.203 0.000 0.887 160 E CA -0.537 55.956 56.400 0.155 0.000 0.782 160 E CB 0.414 30.166 29.700 0.088 0.000 1.214 160 E HN 0.633 nan 8.360 nan 0.000 0.417 161 I N 3.105 123.804 120.570 0.214 0.000 2.410 161 I HA 0.412 4.582 4.170 -0.000 0.000 0.286 161 I C -0.211 175.940 176.117 0.057 0.000 1.009 161 I CA -0.848 60.568 61.300 0.193 0.000 1.111 161 I CB 1.887 40.007 38.000 0.201 0.000 1.262 161 I HN 0.400 nan 8.210 nan 0.000 0.443 162 E N 5.499 125.708 120.200 0.016 0.000 2.102 162 E HA 0.301 4.650 4.350 -0.000 0.000 0.263 162 E C -1.736 174.822 176.600 -0.069 0.000 0.894 162 E CA -0.290 56.090 56.400 -0.034 0.000 0.746 162 E CB 1.612 31.330 29.700 0.029 0.000 1.129 162 E HN 0.551 nan 8.360 nan 0.000 0.416 163 D N 3.554 123.785 120.400 -0.282 0.000 2.671 163 D HA 0.514 5.154 4.640 -0.000 0.000 0.232 163 D C -1.391 174.854 176.300 -0.092 0.000 1.114 163 D CA -0.457 53.385 54.000 -0.264 0.000 0.858 163 D CB 1.013 41.547 40.800 -0.443 0.000 1.544 163 D HN 0.316 nan 8.370 nan 0.000 0.471 164 F N -0.111 119.716 119.950 -0.205 0.000 2.665 164 F HA 0.625 5.152 4.527 -0.000 0.000 0.308 164 F C -2.991 172.283 175.800 -0.877 0.000 1.112 164 F CA -2.045 55.730 58.000 -0.375 0.000 0.972 164 F CB 1.066 39.913 39.000 -0.255 0.000 1.295 164 F HN -0.039 nan 8.300 nan 0.000 0.440 165 P HA 0.169 nan 4.420 nan 0.000 0.271 165 P C -0.002 176.948 177.300 -0.583 0.000 1.216 165 P CA -0.169 62.086 63.100 -1.408 0.000 0.776 165 P CB 1.826 32.981 31.700 -0.909 0.000 0.881 166 R N 2.075 122.288 120.500 -0.478 0.000 2.093 166 R HA 0.053 4.393 4.340 -0.000 0.000 0.224 166 R C 0.046 176.146 176.300 -0.334 0.000 1.101 166 R CA 0.962 56.882 56.100 -0.300 0.000 0.979 166 R CB -0.027 30.143 30.300 -0.216 0.000 0.877 166 R HN 0.391 nan 8.270 nan 0.000 0.441 167 F N 0.348 120.272 119.950 -0.043 0.000 2.495 167 F HA 0.373 4.900 4.527 -0.000 0.000 0.327 167 F C -1.695 174.121 175.800 0.026 0.000 1.103 167 F CA -2.802 55.218 58.000 0.035 0.000 0.949 167 F CB 2.132 41.191 39.000 0.098 0.000 1.142 167 F HN -0.038 nan 8.300 nan 0.000 0.457 168 P HA -0.009 nan 4.420 nan 0.000 0.258 168 P C -0.538 176.874 177.300 0.186 0.000 1.416 168 P CA 0.624 63.809 63.100 0.141 0.000 0.927 168 P CB 0.042 31.794 31.700 0.088 0.000 1.444 169 H N 0.883 120.037 119.070 0.140 0.000 2.808 169 H HA 0.376 4.932 4.556 -0.000 0.000 0.268 169 H C -0.832 174.555 175.328 0.100 0.000 1.306 169 H CA -0.445 55.656 56.048 0.089 0.000 1.565 169 H CB 0.575 30.362 29.762 0.041 0.000 1.632 169 H HN -0.114 nan 8.280 nan 0.000 0.525 170 R N 2.769 123.278 120.500 0.015 0.000 2.396 170 R HA 0.388 4.728 4.340 -0.000 0.000 0.292 170 R C 0.359 176.647 176.300 -0.019 0.000 1.240 170 R CA -0.537 55.599 56.100 0.060 0.000 1.270 170 R CB 1.477 31.851 30.300 0.122 0.000 1.108 170 R HN 0.486 nan 8.270 nan 0.000 0.573 171 G N 1.360 110.155 108.800 -0.009 0.000 2.491 171 G HA2 0.518 4.478 3.960 -0.000 0.000 0.327 171 G HA3 0.518 4.478 3.960 -0.000 0.000 0.327 171 G C -1.234 173.693 174.900 0.044 0.000 1.189 171 G CA -0.430 44.672 45.100 0.004 0.000 0.956 171 G HN 0.260 nan 8.290 nan 0.000 0.491 172 L N 1.098 122.358 121.223 0.062 0.000 2.406 172 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 172 L C -1.168 175.688 176.870 -0.023 0.000 0.980 172 L CA -0.698 54.140 54.840 -0.004 0.000 0.831 172 L CB 1.438 43.508 42.059 0.018 0.000 1.253 172 L HN 0.542 nan 8.230 nan 0.000 0.406 173 L N 5.158 126.247 121.223 -0.223 0.000 2.275 173 L HA 0.489 4.829 4.340 -0.000 0.000 0.288 173 L C -1.409 175.200 176.870 -0.436 0.000 1.046 173 L CA -0.454 54.119 54.840 -0.444 0.000 0.805 173 L CB 1.304 42.849 42.059 -0.857 0.000 1.193 173 L HN 0.564 nan 8.230 nan 0.000 0.426 174 L N 4.575 125.617 121.223 -0.302 0.000 2.362 174 L HA 0.429 4.769 4.340 -0.000 0.000 0.275 174 L C -0.834 175.936 176.870 -0.167 0.000 0.998 174 L CA -0.174 54.538 54.840 -0.213 0.000 0.820 174 L CB 1.776 43.819 42.059 -0.026 0.000 1.270 174 L HN 0.565 nan 8.230 nan 0.000 0.415 175 D N 0.369 120.673 120.400 -0.159 0.000 2.373 175 D HA 0.345 4.985 4.640 -0.000 0.000 0.227 175 D C 0.365 176.788 176.300 0.204 0.000 1.091 175 D CA -0.125 53.892 54.000 0.027 0.000 0.840 175 D CB 0.969 41.778 40.800 0.014 0.000 1.060 175 D HN 0.607 nan 8.370 nan 0.000 0.502 176 T N -0.271 114.485 114.554 0.337 0.000 3.214 176 T HA 0.154 4.504 4.350 -0.000 0.000 0.264 176 T C 1.106 176.085 174.700 0.464 0.000 1.012 176 T CA -0.332 62.030 62.100 0.436 0.000 0.901 176 T CB 0.425 69.697 68.868 0.673 0.000 1.070 176 T HN 0.184 nan 8.240 nan 0.000 0.561 177 S N 0.729 116.657 115.700 0.380 0.000 2.691 177 S HA 0.179 4.649 4.470 -0.000 0.000 0.241 177 S C 2.050 176.843 174.600 0.322 0.000 1.077 177 S CA -0.382 58.008 58.200 0.317 0.000 0.900 177 S CB 0.032 63.397 63.200 0.276 0.000 0.805 177 S HN 0.358 nan 8.310 nan 0.000 0.529 178 R N -0.115 120.564 120.500 0.298 0.000 2.115 178 R HA 0.072 4.412 4.340 -0.000 0.000 0.230 178 R C -0.098 176.255 176.300 0.089 0.000 1.111 178 R CA 1.011 57.241 56.100 0.216 0.000 0.976 178 R CB -0.205 30.198 30.300 0.172 0.000 0.870 178 R HN 0.509 nan 8.270 nan 0.000 0.445 179 H N -1.924 117.345 119.070 0.332 0.000 2.877 179 H HA 0.138 4.694 4.556 -0.000 0.000 0.347 179 H C -1.522 174.038 175.328 0.386 0.000 1.042 179 H CA -0.759 55.475 56.048 0.310 0.000 1.276 179 H CB 1.248 31.109 29.762 0.164 0.000 1.681 179 H HN -0.023 nan 8.280 nan 0.000 0.521 180 Y N 3.460 124.032 120.300 0.454 0.000 2.511 180 Y HA 0.213 4.763 4.550 -0.000 0.000 0.332 180 Y C -0.855 175.217 175.900 0.286 0.000 1.177 180 Y CA -0.013 58.325 58.100 0.396 0.000 1.422 180 Y CB 0.348 39.068 38.460 0.433 0.000 1.271 180 Y HN 0.503 nan 8.280 nan 0.000 0.550 181 L N 9.140 130.160 121.223 -0.338 0.000 2.307 181 L HA 0.432 4.772 4.340 -0.000 0.000 0.284 181 L C -2.212 174.350 176.870 -0.513 0.000 1.023 181 L CA -2.268 52.413 54.840 -0.264 0.000 0.810 181 L CB 1.505 43.507 42.059 -0.095 0.000 1.231 181 L HN 0.583 nan 8.230 nan 0.000 0.423 182 P HA -0.026 nan 4.420 nan 0.000 0.266 182 P C 0.561 177.811 177.300 -0.084 0.000 1.195 182 P CA -0.352 62.687 63.100 -0.102 0.000 0.768 182 P CB 0.734 32.415 31.700 -0.032 0.000 0.838 183 L N 3.800 125.020 121.223 -0.004 0.000 2.021 183 L HA -0.299 4.041 4.340 -0.000 0.000 0.215 183 L C 2.197 179.001 176.870 -0.111 0.000 1.074 183 L CA 2.714 57.554 54.840 -0.001 0.000 0.760 183 L CB -1.467 40.621 42.059 0.048 0.000 0.889 183 L HN 0.475 nan 8.230 nan 0.000 0.433 184 S N -1.720 113.922 115.700 -0.097 0.000 2.359 184 S HA -0.266 4.204 4.470 -0.000 0.000 0.222 184 S C 2.013 176.530 174.600 -0.137 0.000 1.038 184 S CA 1.663 59.790 58.200 -0.122 0.000 1.051 184 S CB -1.250 61.906 63.200 -0.073 0.000 0.944 184 S HN 0.555 nan 8.310 nan 0.000 0.433 185 S N 2.617 118.253 115.700 -0.106 0.000 2.374 185 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 185 S C 1.884 176.397 174.600 -0.145 0.000 1.037 185 S CA 1.772 59.913 58.200 -0.098 0.000 1.024 185 S CB -0.719 62.436 63.200 -0.076 0.000 0.861 185 S HN 0.580 nan 8.310 nan 0.000 0.456 186 I N 1.204 121.648 120.570 -0.209 0.000 2.353 186 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 186 I C 2.033 177.922 176.117 -0.380 0.000 1.119 186 I CA 0.909 62.013 61.300 -0.326 0.000 1.417 186 I CB -0.484 37.258 38.000 -0.430 0.000 1.078 186 I HN 0.197 nan 8.210 nan 0.000 0.421 187 L N 0.462 121.467 121.223 -0.364 0.000 2.046 187 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 187 L C 2.041 178.792 176.870 -0.199 0.000 1.077 187 L CA 1.368 55.942 54.840 -0.443 0.000 0.747 187 L CB -0.748 40.858 42.059 -0.755 0.000 0.896 187 L HN 0.203 nan 8.230 nan 0.000 0.432 188 D N -0.520 119.779 120.400 -0.167 0.000 2.117 188 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 188 D C 2.216 178.460 176.300 -0.094 0.000 0.987 188 D CA 1.687 55.629 54.000 -0.097 0.000 0.829 188 D CB -0.250 40.507 40.800 -0.073 0.000 0.961 188 D HN 0.273 nan 8.370 nan 0.000 0.460 189 T N 0.632 115.139 114.554 -0.079 0.000 2.746 189 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 189 T C 2.190 176.852 174.700 -0.064 0.000 1.039 189 T CA 0.635 62.747 62.100 0.020 0.000 1.142 189 T CB -0.455 68.403 68.868 -0.017 0.000 0.866 189 T HN 0.120 nan 8.240 nan 0.000 0.444 190 L N 0.940 122.045 121.223 -0.198 0.000 2.043 190 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 190 L C 2.576 179.323 176.870 -0.205 0.000 1.075 190 L CA 1.335 56.053 54.840 -0.204 0.000 0.752 190 L CB -0.655 41.312 42.059 -0.152 0.000 0.891 190 L HN 0.147 nan 8.230 nan 0.000 0.432 191 D N -0.473 119.801 120.400 -0.210 0.000 2.117 191 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 191 D C 2.219 177.989 176.300 -0.883 0.000 0.987 191 D CA 1.194 54.921 54.000 -0.455 0.000 0.829 191 D CB -0.043 40.580 40.800 -0.295 0.000 0.961 191 D HN 0.114 nan 8.370 nan 0.000 0.460 192 V N 0.376 119.921 119.914 -0.615 0.000 2.719 192 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 192 V C 2.386 178.121 176.094 -0.599 0.000 1.065 192 V CA 0.855 62.709 62.300 -0.743 0.000 1.086 192 V CB -0.398 30.739 31.823 -1.143 0.000 0.700 192 V HN 0.189 nan 8.190 nan 0.000 0.467 193 M N 0.544 120.011 119.600 -0.223 0.000 2.117 193 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 193 M C 2.389 178.654 176.300 -0.058 0.000 1.065 193 M CA 2.188 57.514 55.300 0.043 0.000 1.114 193 M CB -0.527 32.116 32.600 0.072 0.000 1.361 193 M HN 0.404 nan 8.290 nan 0.000 0.408 194 A N -0.523 122.160 122.820 -0.229 0.000 1.969 194 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 194 A C 1.702 179.231 177.584 -0.092 0.000 1.169 194 A CA 1.277 53.203 52.037 -0.186 0.000 0.635 194 A CB -0.871 17.964 19.000 -0.275 0.000 0.810 194 A HN 0.481 nan 8.150 nan 0.000 0.445 195 Y N 0.327 120.608 120.300 -0.031 0.000 2.242 195 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 195 Y C 2.177 178.130 175.900 0.089 0.000 1.137 195 Y CA 0.964 59.099 58.100 0.058 0.000 1.181 195 Y CB -0.580 37.917 38.460 0.062 0.000 0.989 195 Y HN 0.379 nan 8.280 nan 0.000 0.527 196 N N 0.149 118.985 118.700 0.225 0.000 2.353 196 N HA -0.027 4.713 4.740 -0.000 0.000 0.185 196 N C -0.027 175.529 175.510 0.076 0.000 1.098 196 N CA 0.326 53.511 53.050 0.226 0.000 0.872 196 N CB 0.130 38.852 38.487 0.393 0.000 0.970 196 N HN 0.224 nan 8.380 nan 0.000 0.467 197 K N 0.261 120.673 120.400 0.021 0.000 3.192 197 K HA -0.156 4.164 4.320 -0.000 0.000 0.278 197 K C -1.056 175.629 176.600 0.141 0.000 1.164 197 K CA 0.194 56.485 56.287 0.007 0.000 0.816 197 K CB -1.498 30.840 32.500 -0.271 0.000 1.256 197 K HN 0.070 nan 8.250 nan 0.000 0.497 198 L N 1.807 123.105 121.223 0.126 0.000 2.281 198 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 198 L C 1.277 178.193 176.870 0.075 0.000 1.074 198 L CA 0.056 54.968 54.840 0.121 0.000 0.817 198 L CB 0.852 42.994 42.059 0.139 0.000 1.168 198 L HN 0.237 nan 8.230 nan 0.000 0.434 199 N N 2.130 120.858 118.700 0.048 0.000 2.187 199 N HA 0.046 4.785 4.740 -0.000 0.000 0.212 199 N C -0.666 174.804 175.510 -0.068 0.000 1.152 199 N CA -0.046 53.001 53.050 -0.004 0.000 0.872 199 N CB 0.650 39.140 38.487 0.005 0.000 1.025 199 N HN 0.216 nan 8.380 nan 0.000 0.514 200 V N 1.950 121.809 119.914 -0.091 0.000 2.327 200 V HA 0.303 4.423 4.120 -0.000 0.000 0.272 200 V C -0.943 175.174 176.094 0.039 0.000 1.019 200 V CA -0.985 61.229 62.300 -0.143 0.000 0.814 200 V CB 0.361 31.835 31.823 -0.582 0.000 1.040 200 V HN 0.094 nan 8.190 nan 0.000 0.440 201 F N 4.606 124.527 119.950 -0.049 0.000 2.487 201 F HA 0.306 4.833 4.527 -0.000 0.000 0.364 201 F C 0.483 176.305 175.800 0.036 0.000 1.126 201 F CA -0.466 57.526 58.000 -0.013 0.000 1.135 201 F CB -0.160 38.828 39.000 -0.021 0.000 1.127 201 F HN 0.640 nan 8.300 nan 0.000 0.559 202 H N 6.982 125.875 119.070 -0.295 0.000 2.846 202 H HA 0.126 4.682 4.556 -0.000 0.000 0.278 202 H C -1.015 173.933 175.328 -0.632 0.000 1.117 202 H CA -0.641 55.172 56.048 -0.391 0.000 1.406 202 H CB 0.207 29.843 29.762 -0.210 0.000 1.445 202 H HN 0.687 nan 8.280 nan 0.000 0.469 203 W N 7.620 128.443 121.300 -0.794 0.000 2.308 203 W HA 0.135 4.795 4.660 -0.000 0.000 0.311 203 W C -0.821 175.459 176.519 -0.399 0.000 1.088 203 W CA -0.759 56.142 57.345 -0.740 0.000 1.309 203 W CB 0.118 29.054 29.460 -0.873 0.000 1.229 203 W HN 0.659 nan 8.180 nan 0.000 0.427 204 H N 7.448 126.567 119.070 0.082 0.000 2.788 204 H HA 0.083 4.639 4.556 -0.000 0.000 0.254 204 H C 0.973 176.281 175.328 -0.034 0.000 1.541 204 H CA 0.026 56.039 56.048 -0.058 0.000 1.295 204 H CB 0.318 30.025 29.762 -0.091 0.000 1.592 204 H HN 0.378 nan 8.280 nan 0.000 0.545 205 L N 3.576 124.494 121.223 -0.509 0.000 2.017 205 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 205 L C 1.194 177.985 176.870 -0.132 0.000 1.073 205 L CA 1.176 55.705 54.840 -0.517 0.000 0.745 205 L CB -0.395 40.986 42.059 -1.129 0.000 0.894 205 L HN 0.331 nan 8.230 nan 0.000 0.432 206 V N -4.477 115.310 119.914 -0.212 0.000 3.046 206 V HA 0.711 4.831 4.120 -0.000 0.000 0.316 206 V C -0.781 175.438 176.094 0.208 0.000 1.104 206 V CA -0.776 61.510 62.300 -0.023 0.000 1.006 206 V CB 2.385 34.101 31.823 -0.179 0.000 1.058 206 V HN 0.194 nan 8.190 nan 0.000 0.440 207 D N -0.180 120.426 120.400 0.343 0.000 2.879 207 D HA 0.125 4.765 4.640 -0.000 0.000 0.346 207 D C -0.072 176.430 176.300 0.336 0.000 1.390 207 D CA -0.084 54.155 54.000 0.398 0.000 0.838 207 D CB 2.017 43.070 40.800 0.422 0.000 1.416 207 D HN 0.622 nan 8.370 nan 0.000 0.493 208 D N 0.111 120.658 120.400 0.245 0.000 2.133 208 D HA -0.117 4.523 4.640 -0.000 0.000 0.192 208 D C -1.058 175.303 176.300 0.102 0.000 1.001 208 D CA 1.676 55.759 54.000 0.138 0.000 0.844 208 D CB -0.899 39.920 40.800 0.033 0.000 0.944 208 D HN 0.267 nan 8.370 nan 0.000 0.447 209 P HA -0.005 nan 4.420 nan 0.000 0.215 209 P C 0.522 177.716 177.300 -0.177 0.000 1.157 209 P CA 0.922 64.031 63.100 0.015 0.000 0.859 209 P CB 0.314 32.077 31.700 0.105 0.000 0.786 210 S N -1.949 113.637 115.700 -0.191 0.000 2.568 210 S HA 0.644 5.114 4.470 -0.000 0.000 0.293 210 S C -1.786 172.841 174.600 0.045 0.000 1.089 210 S CA -0.594 57.398 58.200 -0.347 0.000 0.945 210 S CB 0.385 63.105 63.200 -0.799 0.000 1.077 210 S HN -0.126 nan 8.310 nan 0.000 0.485 211 F N 5.918 125.817 119.950 -0.086 0.000 2.691 211 F HA 0.503 5.030 4.527 -0.000 0.000 0.371 211 F C -2.173 173.664 175.800 0.063 0.000 1.159 211 F CA -1.979 56.026 58.000 0.009 0.000 1.174 211 F CB 2.070 40.995 39.000 -0.125 0.000 1.419 211 F HN 0.394 nan 8.300 nan 0.000 0.514 212 P HA -0.056 nan 4.420 nan 0.000 0.228 212 P C 0.089 177.630 177.300 0.403 0.000 1.166 212 P CA 0.508 63.789 63.100 0.302 0.000 0.812 212 P CB -0.041 31.934 31.700 0.458 0.000 0.857 213 Y N 2.842 123.293 120.300 0.253 0.000 2.677 213 Y HA 0.036 4.586 4.550 -0.000 0.000 0.335 213 Y C 0.591 176.692 175.900 0.336 0.000 1.162 213 Y CA -0.406 57.858 58.100 0.273 0.000 1.483 213 Y CB -0.240 38.282 38.460 0.103 0.000 1.209 213 Y HN -0.087 nan 8.280 nan 0.000 0.528 214 E N 4.933 125.047 120.200 -0.143 0.000 2.180 214 E HA 0.148 4.498 4.350 -0.000 0.000 0.283 214 E C -0.518 175.878 176.600 -0.341 0.000 1.061 214 E CA -0.258 56.060 56.400 -0.136 0.000 0.861 214 E CB 0.557 30.230 29.700 -0.044 0.000 1.056 214 E HN 0.662 nan 8.360 nan 0.000 0.407 215 S N 3.352 118.987 115.700 -0.108 0.000 2.632 215 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 215 S C 0.294 174.952 174.600 0.096 0.000 1.260 215 S CA -0.575 57.624 58.200 -0.001 0.000 1.010 215 S CB 0.400 63.703 63.200 0.173 0.000 0.965 215 S HN 0.580 nan 8.310 nan 0.000 0.534 216 F N 0.092 119.999 119.950 -0.072 0.000 2.784 216 F HA 0.264 4.791 4.527 -0.000 0.000 0.323 216 F C 1.835 177.563 175.800 -0.120 0.000 1.085 216 F CA 0.222 58.170 58.000 -0.086 0.000 1.196 216 F CB -0.620 38.325 39.000 -0.092 0.000 1.053 216 F HN 0.564 nan 8.300 nan 0.000 0.578 217 T N -1.955 112.181 114.554 -0.697 0.000 2.978 217 T HA 0.137 4.487 4.350 -0.000 0.000 0.262 217 T C 0.239 174.449 174.700 -0.816 0.000 1.063 217 T CA 0.801 62.468 62.100 -0.721 0.000 1.140 217 T CB -0.589 67.886 68.868 -0.654 0.000 0.886 217 T HN 0.210 nan 8.240 nan 0.000 0.470 218 F N 1.221 121.106 119.950 -0.109 0.000 2.646 218 F HA 0.437 4.964 4.527 -0.000 0.000 0.336 218 F C -2.318 173.436 175.800 -0.078 0.000 1.437 218 F CA -2.478 55.489 58.000 -0.056 0.000 1.142 218 F CB 1.682 40.684 39.000 0.003 0.000 1.530 218 F HN -0.056 nan 8.300 nan 0.000 0.591 219 P HA -0.189 nan 4.420 nan 0.000 0.218 219 P C 1.475 178.767 177.300 -0.013 0.000 1.146 219 P CA 1.383 64.491 63.100 0.014 0.000 0.813 219 P CB 0.340 32.044 31.700 0.007 0.000 0.778 220 E N -1.002 119.191 120.200 -0.010 0.000 2.418 220 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 220 E C 1.918 178.431 176.600 -0.145 0.000 1.026 220 E CA 0.389 56.757 56.400 -0.053 0.000 0.862 220 E CB -0.441 29.241 29.700 -0.030 0.000 0.799 220 E HN 0.329 nan 8.360 nan 0.000 0.518 221 L N 0.578 121.664 121.223 -0.228 0.000 1.989 221 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 221 L C 2.681 179.288 176.870 -0.437 0.000 1.071 221 L CA 1.353 55.862 54.840 -0.553 0.000 0.749 221 L CB -0.433 41.067 42.059 -0.931 0.000 0.890 221 L HN 0.229 nan 8.230 nan 0.000 0.431 222 M N -0.084 119.406 119.600 -0.184 0.000 2.077 222 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 222 M C 2.468 178.753 176.300 -0.024 0.000 1.070 222 M CA 1.850 57.159 55.300 0.015 0.000 1.125 222 M CB -0.598 32.044 32.600 0.070 0.000 1.339 222 M HN 0.098 nan 8.290 nan 0.000 0.409 223 R N 0.263 120.737 120.500 -0.043 0.000 2.113 223 R HA -0.161 4.179 4.340 -0.000 0.000 0.244 223 R C 1.985 178.255 176.300 -0.050 0.000 1.142 223 R CA 2.053 58.130 56.100 -0.038 0.000 0.953 223 R CB -0.224 30.054 30.300 -0.036 0.000 0.860 223 R HN 0.470 nan 8.270 nan 0.000 0.438 224 K N -1.286 119.065 120.400 -0.083 0.000 2.353 224 K HA 0.130 4.450 4.320 -0.000 0.000 0.195 224 K C 1.579 178.121 176.600 -0.097 0.000 1.031 224 K CA 0.533 56.768 56.287 -0.087 0.000 1.079 224 K CB 1.277 33.715 32.500 -0.104 0.000 0.857 224 K HN 0.271 nan 8.250 nan 0.000 0.535 225 G N 1.486 110.225 108.800 -0.103 0.000 2.662 225 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.207 225 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.207 225 G C 0.554 175.430 174.900 -0.041 0.000 1.154 225 G CA -0.042 45.013 45.100 -0.076 0.000 0.837 225 G HN 0.286 nan 8.290 nan 0.000 0.580 226 S N -0.045 115.654 115.700 -0.002 0.000 2.559 226 S HA 0.031 4.501 4.470 -0.000 0.000 0.282 226 S C 0.994 175.554 174.600 -0.065 0.000 1.336 226 S CA -0.251 57.932 58.200 -0.028 0.000 1.037 226 S CB 0.436 63.650 63.200 0.023 0.000 0.853 226 S HN 0.250 nan 8.310 nan 0.000 0.523 227 Y N 1.796 122.076 120.300 -0.033 0.000 2.165 227 Y HA -0.036 4.514 4.550 -0.000 0.000 0.286 227 Y C 1.559 177.359 175.900 -0.166 0.000 1.155 227 Y CA 1.701 59.727 58.100 -0.122 0.000 1.164 227 Y CB -0.406 37.924 38.460 -0.216 0.000 0.978 227 Y HN 0.842 nan 8.280 nan 0.000 0.513 228 N N -1.011 117.684 118.700 -0.007 0.000 2.594 228 N HA 0.239 4.979 4.740 -0.000 0.000 0.280 228 N C -2.666 172.839 175.510 -0.009 0.000 1.156 228 N CA -1.477 51.558 53.050 -0.026 0.000 0.831 228 N CB 1.445 39.902 38.487 -0.049 0.000 1.379 228 N HN -0.325 nan 8.380 nan 0.000 0.536 229 P HA -0.159 nan 4.420 nan 0.000 0.229 229 P C 0.224 177.518 177.300 -0.010 0.000 1.147 229 P CA 0.876 63.971 63.100 -0.009 0.000 0.766 229 P CB 0.327 32.021 31.700 -0.010 0.000 0.775 230 V N -2.854 117.055 119.914 -0.009 0.000 3.141 230 V HA -0.049 4.071 4.120 -0.000 0.000 0.225 230 V C 2.366 178.444 176.094 -0.028 0.000 1.352 230 V CA 1.300 63.593 62.300 -0.012 0.000 1.316 230 V CB -0.895 30.927 31.823 -0.002 0.000 1.126 230 V HN 0.109 nan 8.190 nan 0.000 0.493 231 T N -1.302 113.254 114.554 0.005 0.000 2.896 231 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 231 T C 0.857 175.432 174.700 -0.208 0.000 1.050 231 T CA 1.230 63.326 62.100 -0.007 0.000 1.140 231 T CB -0.339 68.594 68.868 0.108 0.000 0.877 231 T HN 0.519 nan 8.240 nan 0.000 0.457 232 H N 1.370 120.170 119.070 -0.449 0.000 2.432 232 H HA 0.561 5.117 4.556 -0.000 0.000 0.226 232 H C -0.680 173.974 175.328 -1.123 0.000 1.634 232 H CA -1.160 54.185 56.048 -1.171 0.000 1.253 232 H CB -0.349 28.973 29.762 -0.733 0.000 1.584 232 H HN 0.275 nan 8.280 nan 0.000 0.545 233 I N 0.943 121.104 120.570 -0.683 0.000 2.769 233 I HA 0.199 4.369 4.170 -0.000 0.000 0.298 233 I C -0.589 175.486 176.117 -0.070 0.000 1.128 233 I CA -1.025 60.141 61.300 -0.224 0.000 1.031 233 I CB 1.800 39.759 38.000 -0.069 0.000 1.235 233 I HN 0.302 nan 8.210 nan 0.000 0.423 234 Y N 2.833 123.330 120.300 0.329 0.000 2.417 234 Y HA 0.333 4.883 4.550 -0.000 0.000 0.336 234 Y C 0.873 176.870 175.900 0.161 0.000 0.961 234 Y CA -0.610 57.690 58.100 0.332 0.000 1.215 234 Y CB 1.349 40.090 38.460 0.468 0.000 1.120 234 Y HN 0.425 nan 8.280 nan 0.000 0.499 235 T N 1.583 116.285 114.554 0.247 0.000 2.899 235 T HA 0.152 4.502 4.350 -0.000 0.000 0.295 235 T C 1.458 176.222 174.700 0.107 0.000 1.033 235 T CA 0.113 62.282 62.100 0.115 0.000 1.084 235 T CB 1.437 70.350 68.868 0.075 0.000 0.979 235 T HN 0.854 nan 8.240 nan 0.000 0.532 236 A N 1.605 124.432 122.820 0.012 0.000 2.042 236 A HA -0.230 4.090 4.320 -0.000 0.000 0.222 236 A C 2.269 179.856 177.584 0.005 0.000 1.167 236 A CA 2.096 54.121 52.037 -0.020 0.000 0.649 236 A CB -0.752 18.176 19.000 -0.121 0.000 0.809 236 A HN 0.796 nan 8.150 nan 0.000 0.457 237 Q N 0.095 119.908 119.800 0.022 0.000 2.016 237 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 237 Q C 1.426 177.473 176.000 0.079 0.000 0.978 237 Q CA 2.201 58.023 55.803 0.033 0.000 0.833 237 Q CB -0.390 28.364 28.738 0.027 0.000 0.895 237 Q HN 0.603 nan 8.270 nan 0.000 0.427 238 D N -0.819 119.666 120.400 0.141 0.000 2.123 238 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 238 D C 1.836 178.279 176.300 0.240 0.000 0.992 238 D CA 1.416 55.544 54.000 0.212 0.000 0.833 238 D CB -0.155 40.860 40.800 0.358 0.000 0.954 238 D HN 0.155 nan 8.370 nan 0.000 0.455 239 V N 1.258 121.320 119.914 0.247 0.000 2.237 239 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 239 V C 2.253 178.402 176.094 0.091 0.000 1.046 239 V CA 2.219 64.648 62.300 0.215 0.000 1.007 239 V CB -0.640 31.239 31.823 0.093 0.000 0.638 239 V HN 0.359 nan 8.190 nan 0.000 0.445 240 K N 0.076 120.490 120.400 0.025 0.000 2.439 240 K HA -0.117 4.203 4.320 -0.000 0.000 0.197 240 K C 1.732 178.362 176.600 0.051 0.000 1.041 240 K CA 1.451 57.742 56.287 0.006 0.000 0.970 240 K CB -0.128 32.359 32.500 -0.022 0.000 0.773 240 K HN 0.521 nan 8.250 nan 0.000 0.479 241 E N 1.090 121.332 120.200 0.071 0.000 2.005 241 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 241 E C 2.040 178.698 176.600 0.096 0.000 0.987 241 E CA 1.314 57.757 56.400 0.072 0.000 0.814 241 E CB -0.113 29.612 29.700 0.043 0.000 0.772 241 E HN 0.107 nan 8.360 nan 0.000 0.453 242 V N 1.872 121.836 119.914 0.084 0.000 2.277 242 V HA -0.326 3.794 4.120 -0.000 0.000 0.253 242 V C 2.328 178.518 176.094 0.159 0.000 1.067 242 V CA 1.857 64.201 62.300 0.074 0.000 1.047 242 V CB -0.500 31.368 31.823 0.075 0.000 0.649 242 V HN 0.288 nan 8.190 nan 0.000 0.447 243 I N -0.383 120.291 120.570 0.174 0.000 2.202 243 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 243 I C 2.604 178.799 176.117 0.130 0.000 1.091 243 I CA 1.820 63.219 61.300 0.165 0.000 1.368 243 I CB -0.353 37.713 38.000 0.110 0.000 1.058 243 I HN 0.344 nan 8.210 nan 0.000 0.410 244 E N 0.650 120.919 120.200 0.116 0.000 2.077 244 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 244 E C 2.122 178.793 176.600 0.118 0.000 0.989 244 E CA 1.612 58.075 56.400 0.106 0.000 0.800 244 E CB -0.449 29.305 29.700 0.090 0.000 0.746 244 E HN 0.506 nan 8.360 nan 0.000 0.452 245 Y N -0.109 120.193 120.300 0.002 0.000 2.293 245 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 245 Y C 2.054 177.927 175.900 -0.044 0.000 1.137 245 Y CA 1.600 59.681 58.100 -0.031 0.000 1.202 245 Y CB -0.326 38.097 38.460 -0.062 0.000 0.990 245 Y HN 0.162 nan 8.280 nan 0.000 0.537 246 A N 0.043 122.927 122.820 0.107 0.000 1.970 246 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 246 A C 2.290 179.877 177.584 0.006 0.000 1.170 246 A CA 1.169 53.221 52.037 0.024 0.000 0.645 246 A CB -0.597 18.451 19.000 0.080 0.000 0.816 246 A HN 0.462 nan 8.150 nan 0.000 0.447 247 R N -0.384 120.144 120.500 0.048 0.000 2.115 247 R HA 0.006 4.346 4.340 -0.000 0.000 0.230 247 R C 1.728 178.120 176.300 0.153 0.000 1.111 247 R CA 1.085 57.235 56.100 0.083 0.000 0.976 247 R CB -0.318 30.054 30.300 0.121 0.000 0.870 247 R HN 0.520 nan 8.270 nan 0.000 0.445 248 L N -0.018 121.225 121.223 0.034 0.000 2.201 248 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 248 L C 1.792 178.645 176.870 -0.027 0.000 1.105 248 L CA 1.131 55.957 54.840 -0.024 0.000 0.775 248 L CB -0.001 41.953 42.059 -0.176 0.000 0.913 248 L HN 0.020 nan 8.230 nan 0.000 0.440 249 R N -0.434 120.024 120.500 -0.070 0.000 2.334 249 R HA 0.216 4.556 4.340 -0.000 0.000 0.216 249 R C 1.066 177.391 176.300 0.042 0.000 0.905 249 R CA 0.542 56.605 56.100 -0.062 0.000 1.064 249 R CB 0.273 30.464 30.300 -0.181 0.000 1.046 249 R HN 0.240 nan 8.270 nan 0.000 0.508 250 G N 0.761 109.625 108.800 0.108 0.000 2.147 250 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 250 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 250 G C -0.025 174.776 174.900 -0.165 0.000 1.005 250 G CA 0.088 45.171 45.100 -0.029 0.000 0.713 250 G HN 0.272 nan 8.290 nan 0.000 0.515 251 I N 0.757 121.268 120.570 -0.098 0.000 2.336 251 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 251 I C 0.966 177.061 176.117 -0.037 0.000 0.991 251 I CA -1.007 60.260 61.300 -0.055 0.000 1.227 251 I CB 1.103 39.100 38.000 -0.004 0.000 1.366 251 I HN 0.041 nan 8.210 nan 0.000 0.466 252 R N 4.586 125.063 120.500 -0.038 0.000 2.531 252 R HA 0.542 4.882 4.340 -0.000 0.000 0.273 252 R C -0.913 175.461 176.300 0.123 0.000 1.070 252 R CA -0.768 55.344 56.100 0.020 0.000 1.112 252 R CB 0.907 31.208 30.300 0.002 0.000 1.049 252 R HN 0.340 nan 8.270 nan 0.000 0.508 253 V N 3.363 123.385 119.914 0.179 0.000 2.370 253 V HA 0.196 4.316 4.120 -0.000 0.000 0.283 253 V C -0.536 175.614 176.094 0.093 0.000 1.023 253 V CA -0.741 61.704 62.300 0.241 0.000 0.857 253 V CB 1.230 33.308 31.823 0.425 0.000 0.985 253 V HN 0.444 nan 8.190 nan 0.000 0.443 254 L N 5.479 126.643 121.223 -0.098 0.000 2.297 254 L HA 0.735 5.074 4.340 -0.000 0.000 0.277 254 L C 0.579 177.166 176.870 -0.472 0.000 1.040 254 L CA -0.161 54.539 54.840 -0.234 0.000 0.867 254 L CB 0.681 42.592 42.059 -0.246 0.000 1.244 254 L HN 0.747 nan 8.230 nan 0.000 0.433 255 A N 4.207 126.657 122.820 -0.617 0.000 2.362 255 A HA 0.426 4.746 4.320 -0.000 0.000 0.276 255 A C 0.019 177.090 177.584 -0.856 0.000 1.153 255 A CA -0.313 51.093 52.037 -1.051 0.000 0.813 255 A CB 0.123 17.915 19.000 -2.014 0.000 1.081 255 A HN 0.697 nan 8.150 nan 0.000 0.507 256 E N 2.801 122.461 120.200 -0.900 0.000 2.186 256 E HA 0.453 4.803 4.350 -0.000 0.000 0.255 256 E C -1.778 174.387 176.600 -0.725 0.000 0.881 256 E CA -0.359 55.691 56.400 -0.584 0.000 0.752 256 E CB 0.521 29.990 29.700 -0.385 0.000 1.176 256 E HN 0.505 nan 8.360 nan 0.000 0.421 257 F N 3.169 123.046 119.950 -0.121 0.000 2.309 257 F HA 0.180 4.707 4.527 -0.000 0.000 0.366 257 F C 0.440 176.417 175.800 0.295 0.000 1.104 257 F CA -0.906 57.155 58.000 0.101 0.000 1.179 257 F CB 0.602 39.728 39.000 0.210 0.000 1.437 257 F HN 0.360 nan 8.300 nan 0.000 0.528 258 D N 2.927 123.495 120.400 0.281 0.000 2.382 258 D HA 0.187 4.827 4.640 -0.000 0.000 0.259 258 D C -0.075 176.302 176.300 0.129 0.000 1.224 258 D CA 0.449 54.595 54.000 0.244 0.000 0.894 258 D CB 0.627 41.563 40.800 0.228 0.000 1.127 258 D HN 0.545 nan 8.370 nan 0.000 0.487 259 T N 1.278 115.929 114.554 0.161 0.000 2.883 259 T HA 0.511 4.861 4.350 -0.000 0.000 0.301 259 T C -2.287 172.486 174.700 0.122 0.000 1.158 259 T CA -1.364 60.759 62.100 0.037 0.000 1.007 259 T CB 2.147 71.112 68.868 0.162 0.000 1.186 259 T HN 0.053 nan 8.240 nan 0.000 0.499 260 P HA 0.202 nan 4.420 nan 0.000 0.245 260 P C 0.957 178.110 177.300 -0.244 0.000 1.203 260 P CA 0.204 63.109 63.100 -0.325 0.000 0.792 260 P CB -0.218 31.059 31.700 -0.705 0.000 0.997 261 G N -0.183 108.537 108.800 -0.134 0.000 2.651 261 G HA2 0.061 4.021 3.960 -0.000 0.000 0.260 261 G HA3 0.061 4.021 3.960 -0.000 0.000 0.260 261 G C -0.218 174.686 174.900 0.007 0.000 1.216 261 G CA -0.201 44.838 45.100 -0.102 0.000 0.913 261 G HN 0.328 nan 8.290 nan 0.000 0.535 262 H N -1.197 117.789 119.070 -0.141 0.000 2.672 262 H HA -0.185 4.371 4.556 -0.000 0.000 0.325 262 H C 0.879 176.138 175.328 -0.115 0.000 1.158 262 H CA 1.081 57.088 56.048 -0.067 0.000 1.134 262 H CB -1.812 27.972 29.762 0.036 0.000 1.553 262 H HN 0.703 nan 8.280 nan 0.000 0.419 263 T N -3.104 111.356 114.554 -0.156 0.000 3.337 263 T HA 0.300 4.650 4.350 -0.000 0.000 0.299 263 T C 1.619 176.287 174.700 -0.053 0.000 0.998 263 T CA -0.401 61.474 62.100 -0.376 0.000 0.948 263 T CB 0.170 68.584 68.868 -0.757 0.000 1.170 263 T HN 0.248 nan 8.240 nan 0.000 0.508 264 L N 1.809 123.047 121.223 0.024 0.000 2.042 264 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 264 L C 3.101 180.012 176.870 0.069 0.000 1.076 264 L CA 1.947 56.801 54.840 0.024 0.000 0.749 264 L CB -0.592 41.472 42.059 0.008 0.000 0.893 264 L HN 0.587 nan 8.230 nan 0.000 0.432 265 S N -0.730 115.092 115.700 0.203 0.000 2.359 265 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 265 S C 1.520 176.185 174.600 0.108 0.000 1.035 265 S CA 1.109 59.413 58.200 0.173 0.000 1.018 265 S CB -0.968 62.405 63.200 0.288 0.000 0.876 265 S HN 0.464 nan 8.310 nan 0.000 0.448 266 W N 3.020 124.242 121.300 -0.130 0.000 2.389 266 W HA 0.169 4.829 4.660 -0.000 0.000 0.267 266 W C 2.443 178.751 176.519 -0.352 0.000 1.219 266 W CA -0.081 57.086 57.345 -0.296 0.000 1.189 266 W CB -1.424 27.906 29.460 -0.217 0.000 1.129 266 W HN 0.490 nan 8.180 nan 0.000 0.581 267 G N 1.753 110.489 108.800 -0.107 0.000 2.637 267 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 267 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 267 G C -1.604 173.120 174.900 -0.293 0.000 1.289 267 G CA 0.348 45.269 45.100 -0.298 0.000 0.816 267 G HN -0.001 nan 8.290 nan 0.000 0.580 268 P HA 0.198 nan 4.420 nan 0.000 0.262 268 P C 0.596 177.776 177.300 -0.201 0.000 1.199 268 P CA 1.497 64.477 63.100 -0.201 0.000 0.763 268 P CB 0.807 32.414 31.700 -0.156 0.000 0.790 269 G N 3.936 112.630 108.800 -0.177 0.000 3.038 269 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.197 269 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.197 269 G C -0.563 174.246 174.900 -0.152 0.000 1.925 269 G CA -0.094 44.903 45.100 -0.171 0.000 1.405 269 G HN 0.592 nan 8.290 nan 0.000 0.524 270 I N 5.175 125.602 120.570 -0.239 0.000 2.337 270 I HA 0.580 4.750 4.170 -0.000 0.000 0.285 270 I C -2.071 173.896 176.117 -0.250 0.000 1.041 270 I CA -3.183 57.961 61.300 -0.260 0.000 1.199 270 I CB 1.233 38.922 38.000 -0.519 0.000 1.370 270 I HN 0.134 nan 8.210 nan 0.000 0.470 271 P HA 0.254 nan 4.420 nan 0.000 0.271 271 P C 0.609 177.849 177.300 -0.100 0.000 1.220 271 P CA 0.357 63.386 63.100 -0.117 0.000 0.768 271 P CB 0.903 32.566 31.700 -0.060 0.000 0.848 272 G N 2.179 110.938 108.800 -0.068 0.000 2.148 272 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 272 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 272 G C 0.476 175.348 174.900 -0.047 0.000 0.981 272 G CA 0.277 45.374 45.100 -0.004 0.000 0.670 272 G HN 0.551 nan 8.290 nan 0.000 0.528 273 L N -0.082 121.058 121.223 -0.138 0.000 2.095 273 L HA 0.447 4.787 4.340 -0.000 0.000 0.204 273 L C 1.726 178.547 176.870 -0.082 0.000 1.080 273 L CA 1.124 55.851 54.840 -0.188 0.000 0.759 273 L CB -0.101 41.735 42.059 -0.371 0.000 0.914 273 L HN 0.377 nan 8.230 nan 0.000 0.439 274 L N 0.003 121.206 121.223 -0.034 0.000 2.452 274 L HA 0.133 4.473 4.340 -0.000 0.000 0.267 274 L C 0.257 177.276 176.870 0.248 0.000 1.188 274 L CA -0.275 54.629 54.840 0.107 0.000 0.821 274 L CB 0.407 42.535 42.059 0.114 0.000 1.102 274 L HN -0.009 nan 8.230 nan 0.000 0.470 275 T N 3.182 117.884 114.554 0.246 0.000 2.749 275 T HA 0.254 4.604 4.350 -0.000 0.000 0.295 275 T C -2.363 172.396 174.700 0.099 0.000 0.936 275 T CA -1.008 61.216 62.100 0.207 0.000 1.060 275 T CB 0.912 69.960 68.868 0.301 0.000 0.904 275 T HN 0.344 nan 8.240 nan 0.000 0.500 276 P HA 0.261 nan 4.420 nan 0.000 0.280 276 P C -0.383 176.730 177.300 -0.312 0.000 1.300 276 P CA -0.567 62.209 63.100 -0.540 0.000 0.785 276 P CB -0.128 31.219 31.700 -0.588 0.000 0.874 277 c N 4.766 123.194 118.600 -0.286 0.000 2.653 277 c HA 0.217 4.787 4.570 -0.000 0.000 0.421 277 c C 0.714 174.705 174.090 -0.165 0.000 1.334 277 c CA -0.002 56.269 56.329 -0.096 0.000 1.885 277 c CB -1.488 40.970 42.510 -0.087 0.000 2.645 277 c HN 0.484 nan 8.230 nan 0.000 0.601 278 Y N 0.904 121.155 120.300 -0.083 0.000 2.453 278 Y HA 0.410 4.960 4.550 -0.000 0.000 0.326 278 Y C 1.404 177.274 175.900 -0.050 0.000 1.186 278 Y CA -0.317 57.745 58.100 -0.064 0.000 1.200 278 Y CB 1.235 39.671 38.460 -0.040 0.000 1.247 278 Y HN 0.752 nan 8.280 nan 0.000 0.482 279 S N -1.866 113.897 115.700 0.106 0.000 2.549 279 S HA 0.442 4.912 4.470 -0.000 0.000 0.225 279 S C 0.960 175.596 174.600 0.061 0.000 1.039 279 S CA 0.447 58.678 58.200 0.053 0.000 0.942 279 S CB 0.612 63.818 63.200 0.008 0.000 0.881 279 S HN 0.936 nan 8.310 nan 0.000 0.503 280 G N 0.429 109.284 108.800 0.092 0.000 4.314 280 G HA2 0.272 4.232 3.960 -0.000 0.000 0.166 280 G HA3 0.272 4.232 3.960 -0.000 0.000 0.166 280 G C 0.716 175.662 174.900 0.078 0.000 1.213 280 G CA 0.679 45.819 45.100 0.065 0.000 1.027 280 G HN 0.383 nan 8.290 nan 0.000 0.352 281 S N -0.408 115.352 115.700 0.099 0.000 2.617 281 S HA 0.474 4.944 4.470 -0.000 0.000 0.278 281 S C 0.299 174.995 174.600 0.160 0.000 1.082 281 S CA 1.484 59.747 58.200 0.104 0.000 1.228 281 S CB 0.494 63.726 63.200 0.054 0.000 1.130 281 S HN 1.038 nan 8.310 nan 0.000 0.621 282 E N 2.764 123.038 120.200 0.124 0.000 2.199 282 E HA 0.647 4.997 4.350 -0.000 0.000 0.265 282 E C -3.202 173.360 176.600 -0.063 0.000 0.882 282 E CA -2.453 53.980 56.400 0.055 0.000 0.759 282 E CB 0.634 30.338 29.700 0.007 0.000 1.148 282 E HN 0.298 nan 8.360 nan 0.000 0.412 283 P HA 0.116 nan 4.420 nan 0.000 0.264 283 P C -0.061 177.037 177.300 -0.337 0.000 1.193 283 P CA 0.111 62.825 63.100 -0.643 0.000 0.763 283 P CB 1.050 32.209 31.700 -0.903 0.000 0.810 284 S N 1.996 117.530 115.700 -0.276 0.000 2.526 284 S HA 0.370 4.840 4.470 -0.000 0.000 0.247 284 S C 1.513 176.014 174.600 -0.164 0.000 1.076 284 S CA 0.262 58.362 58.200 -0.166 0.000 1.105 284 S CB -0.600 62.540 63.200 -0.100 0.000 0.793 284 S HN 0.837 nan 8.310 nan 0.000 0.458 285 G N 1.946 110.612 108.800 -0.223 0.000 2.640 285 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.226 285 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.226 285 G C 0.545 175.328 174.900 -0.195 0.000 1.222 285 G CA 0.307 45.308 45.100 -0.165 0.000 0.729 285 G HN 0.825 nan 8.290 nan 0.000 0.516 286 T N 0.015 114.468 114.554 -0.169 0.000 2.940 286 T HA 0.497 4.847 4.350 -0.000 0.000 0.309 286 T C 0.007 174.561 174.700 -0.243 0.000 1.056 286 T CA 0.146 62.185 62.100 -0.101 0.000 1.137 286 T CB 0.926 69.749 68.868 -0.074 0.000 0.976 286 T HN 0.452 nan 8.240 nan 0.000 0.547 287 F N 0.980 120.893 119.950 -0.061 0.000 2.492 287 F HA 0.660 5.187 4.527 -0.000 0.000 0.327 287 F C 1.080 176.836 175.800 -0.073 0.000 1.079 287 F CA -0.484 57.481 58.000 -0.058 0.000 0.967 287 F CB 2.032 40.999 39.000 -0.055 0.000 1.169 287 F HN 0.961 nan 8.300 nan 0.000 0.472 288 G N 1.475 110.334 108.800 0.098 0.000 3.019 288 G HA2 0.565 4.525 3.960 -0.000 0.000 0.152 288 G HA3 0.565 4.525 3.960 -0.000 0.000 0.152 288 G C -2.635 172.234 174.900 -0.053 0.000 1.320 288 G CA -1.100 43.981 45.100 -0.032 0.000 1.013 288 G HN 0.338 nan 8.290 nan 0.000 0.593 289 P HA 0.283 nan 4.420 nan 0.000 0.296 289 P C 0.144 177.443 177.300 -0.002 0.000 1.295 289 P CA -0.612 62.382 63.100 -0.178 0.000 0.754 289 P CB 0.186 31.635 31.700 -0.418 0.000 1.311 290 V N 0.490 120.381 119.914 -0.038 0.000 3.237 290 V HA 0.019 4.139 4.120 -0.000 0.000 0.305 290 V C 0.964 177.152 176.094 0.157 0.000 1.096 290 V CA 0.168 62.455 62.300 -0.022 0.000 1.130 290 V CB -0.282 31.436 31.823 -0.175 0.000 1.048 290 V HN 0.516 nan 8.190 nan 0.000 0.484 291 N N 4.322 123.036 118.700 0.024 0.000 2.558 291 N HA 0.249 4.989 4.740 -0.000 0.000 0.233 291 N C -1.998 173.414 175.510 -0.163 0.000 1.038 291 N CA -1.896 51.124 53.050 -0.050 0.000 0.934 291 N CB 1.472 39.936 38.487 -0.039 0.000 1.175 291 N HN 0.366 nan 8.380 nan 0.000 0.512 292 P HA 0.098 nan 4.420 nan 0.000 0.256 292 P C 0.561 177.772 177.300 -0.148 0.000 1.384 292 P CA 0.167 63.223 63.100 -0.073 0.000 0.879 292 P CB 0.138 31.837 31.700 -0.001 0.000 1.403 293 S N -1.182 114.238 115.700 -0.467 0.000 2.502 293 S HA 0.121 4.591 4.470 -0.000 0.000 0.228 293 S C 0.929 175.291 174.600 -0.397 0.000 1.061 293 S CA -0.149 57.440 58.200 -1.018 0.000 0.935 293 S CB -0.888 61.765 63.200 -0.912 0.000 0.809 293 S HN 0.001 nan 8.310 nan 0.000 0.510 294 L N 2.107 123.244 121.223 -0.144 0.000 2.464 294 L HA 0.322 4.662 4.340 -0.000 0.000 0.264 294 L C 1.366 178.320 176.870 0.140 0.000 1.199 294 L CA -0.265 54.580 54.840 0.007 0.000 0.818 294 L CB 0.079 42.131 42.059 -0.012 0.000 1.102 294 L HN 0.160 nan 8.230 nan 0.000 0.473 295 N N 0.220 119.017 118.700 0.162 0.000 2.376 295 N HA -0.123 4.617 4.740 -0.000 0.000 0.177 295 N C 1.595 177.212 175.510 0.178 0.000 1.024 295 N CA 0.241 53.422 53.050 0.218 0.000 0.893 295 N CB 0.052 38.645 38.487 0.175 0.000 0.980 295 N HN 0.596 nan 8.380 nan 0.000 0.439 296 N N 0.159 118.926 118.700 0.112 0.000 2.149 296 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 296 N C 0.989 176.548 175.510 0.081 0.000 1.019 296 N CA 1.333 54.438 53.050 0.093 0.000 0.857 296 N CB 0.003 38.518 38.487 0.046 0.000 0.997 296 N HN 0.146 nan 8.380 nan 0.000 0.426 297 T N 0.043 114.594 114.554 -0.005 0.000 2.622 297 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 297 T C 1.317 175.993 174.700 -0.039 0.000 1.047 297 T CA 1.502 63.535 62.100 -0.111 0.000 1.159 297 T CB -0.519 68.154 68.868 -0.325 0.000 0.863 297 T HN 0.353 nan 8.240 nan 0.000 0.422 298 Y N 0.882 121.248 120.300 0.111 0.000 2.571 298 Y HA 0.120 4.670 4.550 -0.000 0.000 0.294 298 Y C 2.392 178.354 175.900 0.103 0.000 1.141 298 Y CA 0.332 58.468 58.100 0.061 0.000 1.308 298 Y CB -0.191 38.262 38.460 -0.012 0.000 1.002 298 Y HN 0.205 nan 8.280 nan 0.000 0.551 299 E N -0.314 120.042 120.200 0.260 0.000 2.140 299 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 299 E C 1.818 178.581 176.600 0.271 0.000 0.973 299 E CA 0.496 57.036 56.400 0.234 0.000 0.829 299 E CB -0.396 29.428 29.700 0.207 0.000 0.781 299 E HN 0.372 nan 8.360 nan 0.000 0.466 300 F N 0.389 120.402 119.950 0.105 0.000 2.102 300 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 300 F C 1.858 177.731 175.800 0.122 0.000 1.105 300 F CA 1.421 59.431 58.000 0.015 0.000 1.239 300 F CB -0.083 38.780 39.000 -0.229 0.000 0.991 300 F HN 0.023 nan 8.300 nan 0.000 0.474 301 M N -0.240 119.513 119.600 0.256 0.000 2.159 301 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 301 M C 2.566 179.038 176.300 0.286 0.000 1.063 301 M CA 1.586 57.059 55.300 0.289 0.000 1.110 301 M CB -1.552 31.193 32.600 0.242 0.000 1.374 301 M HN 0.353 nan 8.290 nan 0.000 0.411 302 S N -0.170 115.668 115.700 0.229 0.000 2.383 302 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 302 S C 1.831 176.587 174.600 0.261 0.000 1.026 302 S CA 1.867 60.226 58.200 0.266 0.000 0.981 302 S CB -0.084 63.241 63.200 0.207 0.000 0.818 302 S HN 0.519 nan 8.310 nan 0.000 0.472 303 T N 0.814 115.483 114.554 0.192 0.000 2.896 303 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 303 T C 1.326 176.095 174.700 0.114 0.000 1.050 303 T CA 1.007 63.199 62.100 0.154 0.000 1.140 303 T CB -0.381 68.649 68.868 0.270 0.000 0.877 303 T HN 0.501 nan 8.240 nan 0.000 0.457 304 F N 0.874 120.765 119.950 -0.098 0.000 2.187 304 F HA 0.219 4.746 4.527 -0.000 0.000 0.295 304 F C 1.391 177.073 175.800 -0.196 0.000 1.091 304 F CA 0.442 58.297 58.000 -0.241 0.000 1.308 304 F CB -0.337 38.270 39.000 -0.655 0.000 1.030 304 F HN 0.071 nan 8.300 nan 0.000 0.487 305 F N -0.252 119.630 119.950 -0.114 0.000 2.802 305 F HA 0.029 4.556 4.527 -0.000 0.000 0.300 305 F C 1.943 177.625 175.800 -0.196 0.000 1.168 305 F CA 0.371 58.310 58.000 -0.102 0.000 1.433 305 F CB -0.254 38.840 39.000 0.157 0.000 1.115 305 F HN -0.005 nan 8.300 nan 0.000 0.582 306 L N -0.372 120.707 121.223 -0.240 0.000 2.341 306 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 306 L C 2.340 178.968 176.870 -0.403 0.000 1.115 306 L CA 0.984 55.431 54.840 -0.655 0.000 0.820 306 L CB -0.155 41.588 42.059 -0.526 0.000 0.944 306 L HN 0.157 nan 8.230 nan 0.000 0.452 307 E N -0.741 119.237 120.200 -0.371 0.000 2.042 307 E HA -0.142 4.208 4.350 -0.000 0.000 0.189 307 E C 2.102 178.579 176.600 -0.204 0.000 0.974 307 E CA 1.170 57.391 56.400 -0.299 0.000 0.806 307 E CB 0.114 29.541 29.700 -0.454 0.000 0.769 307 E HN 0.261 nan 8.360 nan 0.000 0.451 308 V N 1.956 121.624 119.914 -0.410 0.000 2.278 308 V HA -0.333 3.787 4.120 -0.000 0.000 0.251 308 V C 2.692 178.829 176.094 0.073 0.000 1.062 308 V CA 2.290 64.467 62.300 -0.206 0.000 1.038 308 V CB -0.935 30.547 31.823 -0.568 0.000 0.646 308 V HN 0.463 nan 8.190 nan 0.000 0.447 309 S N -0.707 114.987 115.700 -0.010 0.000 2.428 309 S HA -0.139 4.331 4.470 -0.000 0.000 0.230 309 S C 1.952 176.570 174.600 0.029 0.000 1.014 309 S CA 1.464 59.694 58.200 0.050 0.000 0.957 309 S CB -0.324 62.907 63.200 0.052 0.000 0.784 309 S HN 0.520 nan 8.310 nan 0.000 0.499 310 S N 1.095 116.782 115.700 -0.021 0.000 2.406 310 S HA 0.075 4.545 4.470 -0.000 0.000 0.228 310 S C 1.826 176.441 174.600 0.026 0.000 1.020 310 S CA 1.041 59.241 58.200 -0.001 0.000 0.965 310 S CB -0.252 62.948 63.200 -0.000 0.000 0.798 310 S HN 0.477 nan 8.310 nan 0.000 0.488 311 V N 0.062 120.001 119.914 0.042 0.000 2.374 311 V HA 0.143 4.263 4.120 -0.000 0.000 0.241 311 V C 0.368 176.361 176.094 -0.168 0.000 1.034 311 V CA 0.816 63.078 62.300 -0.063 0.000 1.037 311 V CB -0.507 31.274 31.823 -0.068 0.000 0.682 311 V HN 0.347 nan 8.190 nan 0.000 0.463 312 F N 2.490 122.457 119.950 0.029 0.000 2.413 312 F HA 0.345 4.872 4.527 -0.000 0.000 0.359 312 F C -1.342 174.481 175.800 0.038 0.000 1.122 312 F CA -1.988 56.031 58.000 0.032 0.000 1.160 312 F CB 0.696 39.695 39.000 -0.001 0.000 1.146 312 F HN 0.096 nan 8.300 nan 0.000 0.514 313 P HA -0.029 nan 4.420 nan 0.000 0.249 313 P C -0.253 177.137 177.300 0.150 0.000 1.229 313 P CA 0.241 63.418 63.100 0.129 0.000 0.788 313 P CB 0.020 31.776 31.700 0.093 0.000 1.072 314 D N -0.705 119.805 120.400 0.184 0.000 2.304 314 D HA 0.051 4.691 4.640 -0.000 0.000 0.250 314 D C 0.874 177.274 176.300 0.167 0.000 1.107 314 D CA -0.515 53.597 54.000 0.188 0.000 0.885 314 D CB 0.398 41.316 40.800 0.196 0.000 1.192 314 D HN -0.142 nan 8.370 nan 0.000 0.436 315 F N 3.261 123.220 119.950 0.015 0.000 2.154 315 F HA -0.075 4.452 4.527 -0.000 0.000 0.301 315 F C -0.123 175.516 175.800 -0.267 0.000 1.087 315 F CA 1.220 59.123 58.000 -0.162 0.000 1.274 315 F CB -0.016 38.797 39.000 -0.313 0.000 1.009 315 F HN 0.377 nan 8.300 nan 0.000 0.485 316 Y N 0.728 121.077 120.300 0.082 0.000 2.352 316 Y HA 0.561 5.111 4.550 -0.000 0.000 0.326 316 Y C -0.447 175.428 175.900 -0.041 0.000 1.166 316 Y CA -0.881 57.203 58.100 -0.028 0.000 1.182 316 Y CB 1.105 39.611 38.460 0.077 0.000 1.216 316 Y HN -0.260 nan 8.280 nan 0.000 0.474 317 L N 3.351 124.636 121.223 0.104 0.000 2.441 317 L HA 0.253 4.593 4.340 -0.000 0.000 0.270 317 L C -0.827 176.094 176.870 0.085 0.000 0.973 317 L CA -0.739 54.138 54.840 0.061 0.000 0.842 317 L CB 1.429 43.548 42.059 0.101 0.000 1.239 317 L HN 0.640 nan 8.230 nan 0.000 0.406 318 H N 4.945 123.949 119.070 -0.109 0.000 2.878 318 H HA 0.212 4.768 4.556 -0.000 0.000 0.290 318 H C 0.353 175.650 175.328 -0.052 0.000 1.065 318 H CA 0.295 56.251 56.048 -0.153 0.000 1.477 318 H CB 1.201 30.741 29.762 -0.370 0.000 1.484 318 H HN 0.592 nan 8.280 nan 0.000 0.504 319 L N 4.285 125.583 121.223 0.126 0.000 2.607 319 L HA 0.183 4.523 4.340 -0.000 0.000 0.228 319 L C 1.663 178.702 176.870 0.281 0.000 1.123 319 L CA 0.426 55.399 54.840 0.222 0.000 0.890 319 L CB 0.050 42.153 42.059 0.074 0.000 1.103 319 L HN 0.909 nan 8.230 nan 0.000 0.468 320 G N 0.715 109.730 108.800 0.358 0.000 2.554 320 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.253 320 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.253 320 G C 0.637 175.825 174.900 0.480 0.000 1.172 320 G CA -0.144 45.228 45.100 0.454 0.000 0.950 320 G HN 0.782 nan 8.290 nan 0.000 0.557 321 G N 0.035 109.077 108.800 0.403 0.000 2.204 321 G HA2 0.207 4.167 3.960 -0.000 0.000 0.244 321 G HA3 0.207 4.167 3.960 -0.000 0.000 0.244 321 G C -0.037 175.052 174.900 0.315 0.000 1.062 321 G CA 1.406 46.689 45.100 0.304 0.000 0.798 321 G HN 2.091 nan 8.290 nan 0.000 0.496 322 D N -0.532 120.028 120.400 0.267 0.000 2.269 322 D HA 0.470 5.109 4.640 -0.000 0.000 0.244 322 D C 0.557 176.891 176.300 0.057 0.000 0.992 322 D CA -0.312 53.729 54.000 0.068 0.000 0.894 322 D CB 0.866 41.356 40.800 -0.516 0.000 1.248 322 D HN 0.355 nan 8.370 nan 0.000 0.468 323 E N -0.414 119.819 120.200 0.055 0.000 2.539 323 E HA -0.152 4.198 4.350 -0.000 0.000 0.253 323 E C -0.397 176.119 176.600 -0.139 0.000 1.145 323 E CA 0.163 56.559 56.400 -0.005 0.000 0.738 323 E CB -1.200 28.525 29.700 0.040 0.000 1.308 323 E HN 0.323 nan 8.360 nan 0.000 0.409 324 V N 1.675 121.480 119.914 -0.182 0.000 2.377 324 V HA -0.009 4.111 4.120 -0.000 0.000 0.254 324 V C 0.538 176.289 176.094 -0.572 0.000 1.060 324 V CA 0.504 62.600 62.300 -0.341 0.000 1.068 324 V CB 0.327 31.985 31.823 -0.276 0.000 1.113 324 V HN 0.218 nan 8.190 nan 0.000 0.484 325 D N 3.631 123.720 120.400 -0.518 0.000 2.417 325 D HA 0.095 4.735 4.640 -0.000 0.000 0.250 325 D C 0.564 176.525 176.300 -0.565 0.000 1.166 325 D CA -0.017 53.688 54.000 -0.492 0.000 0.881 325 D CB 0.594 41.179 40.800 -0.360 0.000 1.164 325 D HN 0.303 nan 8.370 nan 0.000 0.467 326 F N 1.874 121.585 119.950 -0.398 0.000 2.473 326 F HA -0.008 4.519 4.527 -0.000 0.000 0.294 326 F C 2.485 178.022 175.800 -0.437 0.000 1.103 326 F CA 0.314 58.051 58.000 -0.438 0.000 1.442 326 F CB -1.044 37.813 39.000 -0.239 0.000 1.097 326 F HN 0.404 nan 8.300 nan 0.000 0.547 327 T N -0.580 113.895 114.554 -0.130 0.000 2.594 327 T HA -0.376 3.974 4.350 -0.000 0.000 0.266 327 T C 2.291 176.923 174.700 -0.113 0.000 1.070 327 T CA 2.080 64.109 62.100 -0.118 0.000 1.166 327 T CB -1.207 67.603 68.868 -0.096 0.000 0.862 327 T HN 0.474 nan 8.240 nan 0.000 0.436 328 c N 0.087 118.613 118.600 -0.125 0.000 2.425 328 c HA -0.078 4.492 4.570 -0.000 0.000 0.277 328 c C 2.470 176.616 174.090 0.093 0.000 1.280 328 c CA 0.318 56.624 56.329 -0.038 0.000 1.744 328 c CB -1.728 40.737 42.510 -0.075 0.000 1.989 328 c HN 0.676 nan 8.230 nan 0.000 0.491 329 W N 1.190 122.407 121.300 -0.140 0.000 2.374 329 W HA -0.024 4.636 4.660 -0.000 0.000 0.288 329 W C 2.578 178.963 176.519 -0.223 0.000 1.218 329 W CA 1.366 58.613 57.345 -0.164 0.000 1.245 329 W CB -1.000 28.342 29.460 -0.196 0.000 1.126 329 W HN 0.455 nan 8.180 nan 0.000 0.545 330 K N 0.646 120.951 120.400 -0.158 0.000 2.021 330 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 330 K C 2.293 178.895 176.600 0.003 0.000 1.047 330 K CA 1.926 58.134 56.287 -0.132 0.000 0.943 330 K CB -0.435 31.927 32.500 -0.231 0.000 0.725 330 K HN 0.019 nan 8.250 nan 0.000 0.439 331 S N 1.100 116.802 115.700 0.004 0.000 2.420 331 S HA -0.168 4.301 4.470 -0.000 0.000 0.237 331 S C 0.968 175.518 174.600 -0.083 0.000 1.023 331 S CA 0.709 58.922 58.200 0.021 0.000 0.991 331 S CB -0.624 62.630 63.200 0.090 0.000 0.792 331 S HN 0.289 nan 8.310 nan 0.000 0.488 332 N N 3.260 121.939 118.700 -0.035 0.000 2.427 332 N HA 0.136 4.876 4.740 -0.000 0.000 0.269 332 N C -2.095 173.242 175.510 -0.288 0.000 1.235 332 N CA -1.346 51.575 53.050 -0.214 0.000 0.934 332 N CB 1.340 39.882 38.487 0.090 0.000 1.121 332 N HN 0.147 nan 8.380 nan 0.000 0.480 333 P HA -0.032 nan 4.420 nan 0.000 0.220 333 P C 0.999 178.217 177.300 -0.137 0.000 1.152 333 P CA 0.541 63.471 63.100 -0.284 0.000 0.812 333 P CB 0.458 31.949 31.700 -0.349 0.000 0.792 334 E N -0.136 119.992 120.200 -0.120 0.000 2.152 334 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 334 E C 1.893 178.511 176.600 0.031 0.000 0.983 334 E CA 0.841 57.232 56.400 -0.016 0.000 0.818 334 E CB -0.362 29.351 29.700 0.021 0.000 0.758 334 E HN 0.241 nan 8.360 nan 0.000 0.467 335 I N 0.711 121.291 120.570 0.017 0.000 2.333 335 I HA -0.228 3.942 4.170 -0.000 0.000 0.246 335 I C 2.530 178.723 176.117 0.128 0.000 1.106 335 I CA 0.455 61.787 61.300 0.053 0.000 1.411 335 I CB -0.185 37.795 38.000 -0.033 0.000 1.082 335 I HN 0.034 nan 8.210 nan 0.000 0.420 336 Q N 0.546 120.401 119.800 0.091 0.000 2.118 336 Q HA -0.335 4.005 4.340 -0.000 0.000 0.211 336 Q C 1.670 177.711 176.000 0.067 0.000 0.998 336 Q CA 2.494 58.357 55.803 0.100 0.000 0.872 336 Q CB -0.637 28.130 28.738 0.049 0.000 0.925 336 Q HN 0.574 nan 8.270 nan 0.000 0.414 337 D N -0.593 119.837 120.400 0.049 0.000 2.092 337 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 337 D C 1.743 178.068 176.300 0.041 0.000 0.994 337 D CA 1.232 55.250 54.000 0.030 0.000 0.828 337 D CB -0.297 40.521 40.800 0.030 0.000 0.963 337 D HN 0.193 nan 8.370 nan 0.000 0.450 338 F N 0.469 120.391 119.950 -0.046 0.000 2.115 338 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 338 F C 2.226 177.967 175.800 -0.097 0.000 1.092 338 F CA 1.664 59.625 58.000 -0.065 0.000 1.245 338 F CB -0.280 38.695 39.000 -0.042 0.000 0.995 338 F HN 0.047 nan 8.300 nan 0.000 0.481 339 M N -0.395 119.249 119.600 0.074 0.000 2.086 339 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 339 M C 2.297 178.479 176.300 -0.197 0.000 1.067 339 M CA 1.721 57.032 55.300 0.019 0.000 1.116 339 M CB -0.416 32.268 32.600 0.139 0.000 1.348 339 M HN 0.025 nan 8.290 nan 0.000 0.407 340 R N 0.197 120.610 120.500 -0.146 0.000 2.117 340 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 340 R C 1.978 178.121 176.300 -0.261 0.000 1.143 340 R CA 1.022 57.019 56.100 -0.172 0.000 0.968 340 R CB -0.338 29.896 30.300 -0.110 0.000 0.863 340 R HN 0.277 nan 8.270 nan 0.000 0.444 341 K N 0.413 120.620 120.400 -0.322 0.000 2.365 341 K HA -0.021 4.299 4.320 -0.000 0.000 0.199 341 K C 1.537 177.824 176.600 -0.522 0.000 1.045 341 K CA 0.837 56.903 56.287 -0.370 0.000 0.962 341 K CB 0.214 32.508 32.500 -0.345 0.000 0.759 341 K HN 0.103 nan 8.250 nan 0.000 0.469 342 K N -0.642 119.312 120.400 -0.744 0.000 2.354 342 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 342 K C 0.700 176.779 176.600 -0.869 0.000 1.045 342 K CA 0.640 56.354 56.287 -0.955 0.000 1.026 342 K CB 0.773 32.352 32.500 -1.536 0.000 0.866 342 K HN 0.274 nan 8.250 nan 0.000 0.530 343 G N 1.951 110.364 108.800 -0.645 0.000 2.203 343 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 343 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 343 G C 0.366 175.076 174.900 -0.317 0.000 1.058 343 G CA -0.111 44.747 45.100 -0.402 0.000 0.781 343 G HN 0.110 nan 8.290 nan 0.000 0.496 344 F N 0.252 120.088 119.950 -0.190 0.000 2.104 344 F HA 0.431 4.958 4.527 -0.000 0.000 0.288 344 F C 2.394 178.082 175.800 -0.188 0.000 1.107 344 F CA 1.968 59.861 58.000 -0.177 0.000 1.208 344 F CB -0.833 38.056 39.000 -0.185 0.000 1.033 344 F HN 1.088 nan 8.300 nan 0.000 0.478 345 G N -0.248 108.544 108.800 -0.015 0.000 3.050 345 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.234 345 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.234 345 G C 0.827 175.579 174.900 -0.247 0.000 1.521 345 G CA 0.167 45.199 45.100 -0.112 0.000 1.090 345 G HN 0.146 nan 8.290 nan 0.000 0.556 346 E N 1.609 121.632 120.200 -0.295 0.000 2.372 346 E HA 0.141 4.491 4.350 -0.000 0.000 0.201 346 E C 0.252 176.441 176.600 -0.685 0.000 0.938 346 E CA 0.793 56.933 56.400 -0.432 0.000 0.944 346 E CB 0.248 29.830 29.700 -0.197 0.000 0.937 346 E HN 0.715 nan 8.360 nan 0.000 0.495 347 D N 1.022 121.145 120.400 -0.462 0.000 2.393 347 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 347 D C 0.221 176.215 176.300 -0.510 0.000 1.192 347 D CA -0.577 53.200 54.000 -0.373 0.000 0.882 347 D CB 0.101 40.813 40.800 -0.146 0.000 1.038 347 D HN -0.123 nan 8.370 nan 0.000 0.499 348 F N 1.189 120.853 119.950 -0.477 0.000 2.771 348 F HA 0.041 4.568 4.527 -0.000 0.000 0.299 348 F C 2.119 177.491 175.800 -0.712 0.000 1.177 348 F CA 0.167 57.722 58.000 -0.741 0.000 1.450 348 F CB -0.249 38.060 39.000 -1.151 0.000 1.114 348 F HN 0.176 nan 8.300 nan 0.000 0.587 349 K N 0.665 120.931 120.400 -0.224 0.000 2.152 349 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 349 K C 1.958 178.597 176.600 0.065 0.000 1.048 349 K CA 1.690 58.094 56.287 0.196 0.000 0.933 349 K CB -0.256 32.365 32.500 0.201 0.000 0.721 349 K HN 0.487 nan 8.250 nan 0.000 0.447 350 Q N 0.269 119.989 119.800 -0.133 0.000 2.356 350 Q HA 0.033 4.373 4.340 -0.000 0.000 0.205 350 Q C 1.817 177.423 176.000 -0.657 0.000 0.901 350 Q CA 0.190 55.824 55.803 -0.282 0.000 0.938 350 Q CB 0.083 28.671 28.738 -0.251 0.000 1.081 350 Q HN 0.132 nan 8.270 nan 0.000 0.517 351 L N 1.282 122.212 121.223 -0.488 0.000 2.072 351 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 351 L C 2.238 179.133 176.870 0.042 0.000 1.079 351 L CA 2.064 56.694 54.840 -0.349 0.000 0.752 351 L CB -0.488 41.499 42.059 -0.120 0.000 0.906 351 L HN 0.317 nan 8.230 nan 0.000 0.436 352 E N -0.940 119.424 120.200 0.273 0.000 2.058 352 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 352 E C 2.246 179.040 176.600 0.323 0.000 0.997 352 E CA 1.389 58.072 56.400 0.472 0.000 0.801 352 E CB -0.236 29.825 29.700 0.602 0.000 0.746 352 E HN 0.553 nan 8.360 nan 0.000 0.450 353 S N -0.698 115.116 115.700 0.189 0.000 2.420 353 S HA -0.195 4.275 4.470 -0.000 0.000 0.237 353 S C 1.582 176.282 174.600 0.167 0.000 1.023 353 S CA 1.159 59.442 58.200 0.138 0.000 0.991 353 S CB -0.460 62.783 63.200 0.071 0.000 0.792 353 S HN 0.434 nan 8.310 nan 0.000 0.488 354 F N 0.996 120.962 119.950 0.026 0.000 2.084 354 F HA -0.025 4.502 4.527 -0.000 0.000 0.296 354 F C 1.972 177.869 175.800 0.162 0.000 1.111 354 F CA 1.669 59.727 58.000 0.098 0.000 1.224 354 F CB -1.094 38.002 39.000 0.160 0.000 0.991 354 F HN 0.357 nan 8.300 nan 0.000 0.471 355 Y N 0.649 121.039 120.300 0.150 0.000 2.165 355 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 355 Y C 2.094 178.024 175.900 0.051 0.000 1.155 355 Y CA 2.246 60.444 58.100 0.163 0.000 1.164 355 Y CB -0.456 38.145 38.460 0.235 0.000 0.978 355 Y HN 0.149 nan 8.280 nan 0.000 0.513 356 I N -0.275 120.384 120.570 0.148 0.000 2.277 356 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 356 I C 2.432 178.454 176.117 -0.157 0.000 1.094 356 I CA 1.270 62.581 61.300 0.018 0.000 1.393 356 I CB -0.572 37.490 38.000 0.104 0.000 1.078 356 I HN 0.214 nan 8.210 nan 0.000 0.417 357 Q N 0.380 120.102 119.800 -0.130 0.000 2.112 357 Q HA -0.208 4.131 4.340 -0.000 0.000 0.206 357 Q C 2.253 178.100 176.000 -0.256 0.000 0.987 357 Q CA 2.438 58.142 55.803 -0.165 0.000 0.858 357 Q CB -0.333 28.350 28.738 -0.092 0.000 0.905 357 Q HN 0.553 nan 8.270 nan 0.000 0.420 358 T N 1.317 115.655 114.554 -0.360 0.000 2.674 358 T HA -0.164 4.185 4.350 -0.000 0.000 0.265 358 T C 1.735 176.232 174.700 -0.338 0.000 1.039 358 T CA 1.016 62.865 62.100 -0.418 0.000 1.150 358 T CB -0.331 68.131 68.868 -0.676 0.000 0.864 358 T HN 0.090 nan 8.240 nan 0.000 0.427 359 L N 0.789 121.788 121.223 -0.373 0.000 2.131 359 L HA 0.118 4.458 4.340 -0.000 0.000 0.210 359 L C 2.169 178.778 176.870 -0.434 0.000 1.092 359 L CA 1.336 55.927 54.840 -0.416 0.000 0.759 359 L CB -0.759 41.001 42.059 -0.499 0.000 0.903 359 L HN 0.271 nan 8.230 nan 0.000 0.435 360 L N -1.166 119.794 121.223 -0.439 0.000 2.201 360 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 360 L C 1.730 178.377 176.870 -0.371 0.000 1.105 360 L CA 0.965 55.454 54.840 -0.585 0.000 0.775 360 L CB -0.521 41.174 42.059 -0.606 0.000 0.913 360 L HN 0.234 nan 8.230 nan 0.000 0.440 361 D N -0.211 120.022 120.400 -0.278 0.000 2.289 361 D HA -0.025 4.615 4.640 -0.000 0.000 0.207 361 D C 2.198 178.344 176.300 -0.258 0.000 0.966 361 D CA 0.694 54.568 54.000 -0.209 0.000 0.868 361 D CB 0.212 40.905 40.800 -0.178 0.000 0.943 361 D HN 0.224 nan 8.370 nan 0.000 0.514 362 I N -0.221 120.171 120.570 -0.297 0.000 2.193 362 I HA -0.188 3.982 4.170 -0.000 0.000 0.240 362 I C 2.164 177.990 176.117 -0.485 0.000 1.084 362 I CA 0.614 61.702 61.300 -0.353 0.000 1.365 362 I CB -0.128 37.746 38.000 -0.210 0.000 1.064 362 I HN -0.105 nan 8.210 nan 0.000 0.410 363 V N -0.071 119.675 119.914 -0.280 0.000 2.307 363 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 363 V C 2.614 178.674 176.094 -0.055 0.000 1.045 363 V CA 2.161 64.417 62.300 -0.073 0.000 1.024 363 V CB -0.656 31.141 31.823 -0.044 0.000 0.651 363 V HN 0.479 nan 8.190 nan 0.000 0.449 364 S N 1.017 116.698 115.700 -0.032 0.000 2.374 364 S HA -0.238 4.232 4.470 -0.000 0.000 0.227 364 S C 2.240 176.793 174.600 -0.078 0.000 1.037 364 S CA 2.272 60.502 58.200 0.049 0.000 1.024 364 S CB -0.465 62.800 63.200 0.109 0.000 0.861 364 S HN 0.828 nan 8.310 nan 0.000 0.456 365 S N -0.390 115.174 115.700 -0.228 0.000 2.447 365 S HA -0.037 4.433 4.470 -0.000 0.000 0.233 365 S C 1.155 175.664 174.600 -0.152 0.000 1.006 365 S CA 0.589 58.646 58.200 -0.239 0.000 0.957 365 S CB -0.891 62.100 63.200 -0.347 0.000 0.773 365 S HN 0.786 nan 8.310 nan 0.000 0.507 366 Y N 2.086 122.390 120.300 0.008 0.000 2.596 366 Y HA 0.420 4.970 4.550 -0.000 0.000 0.316 366 Y C 1.695 177.585 175.900 -0.018 0.000 1.156 366 Y CA -0.407 57.698 58.100 0.007 0.000 1.300 366 Y CB -0.492 37.981 38.460 0.022 0.000 1.130 366 Y HN 0.386 nan 8.280 nan 0.000 0.518 367 G N 0.942 109.785 108.800 0.071 0.000 2.249 367 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 367 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 367 G C -0.021 174.771 174.900 -0.179 0.000 1.036 367 G CA -0.050 45.061 45.100 0.019 0.000 0.824 367 G HN 0.210 nan 8.290 nan 0.000 0.504 368 K N 0.148 120.387 120.400 -0.269 0.000 2.221 368 K HA 0.608 4.928 4.320 -0.000 0.000 0.258 368 K C 0.883 176.992 176.600 -0.818 0.000 0.944 368 K CA 0.083 56.035 56.287 -0.559 0.000 0.823 368 K CB 1.841 34.252 32.500 -0.149 0.000 1.113 368 K HN 0.257 nan 8.250 nan 0.000 0.431 369 G N 1.278 109.157 108.800 -1.535 0.000 2.557 369 G HA2 0.505 4.465 3.960 -0.000 0.000 0.292 369 G HA3 0.505 4.465 3.960 -0.000 0.000 0.292 369 G C -1.130 173.477 174.900 -0.489 0.000 1.237 369 G CA -0.319 44.102 45.100 -1.131 0.000 0.978 369 G HN 0.540 nan 8.290 nan 0.000 0.498 370 Y N -2.630 117.686 120.300 0.027 0.000 2.482 370 Y HA 0.590 5.140 4.550 -0.000 0.000 0.334 370 Y C -0.690 175.195 175.900 -0.025 0.000 1.091 370 Y CA -1.514 56.585 58.100 -0.002 0.000 1.027 370 Y CB 1.138 39.554 38.460 -0.073 0.000 1.306 370 Y HN 0.376 nan 8.280 nan 0.000 0.446 371 V N 3.232 123.109 119.914 -0.062 0.000 2.667 371 V HA 0.787 4.907 4.120 -0.000 0.000 0.308 371 V C -0.695 174.882 176.094 -0.862 0.000 1.048 371 V CA -0.916 61.152 62.300 -0.387 0.000 0.928 371 V CB 1.796 33.363 31.823 -0.426 0.000 1.004 371 V HN 0.785 nan 8.190 nan 0.000 0.444 372 V N 2.292 121.782 119.914 -0.707 0.000 3.078 372 V HA 0.571 4.691 4.120 -0.000 0.000 0.311 372 V C -1.223 174.760 176.094 -0.185 0.000 1.138 372 V CA -0.835 61.164 62.300 -0.500 0.000 1.007 372 V CB 2.408 34.160 31.823 -0.118 0.000 1.045 372 V HN 0.936 nan 8.190 nan 0.000 0.432 373 W N 1.748 123.206 121.300 0.264 0.000 1.992 373 W HA 0.226 4.886 4.660 -0.000 0.000 0.360 373 W C 1.645 178.340 176.519 0.295 0.000 1.369 373 W CA 0.589 58.136 57.345 0.338 0.000 1.403 373 W CB 0.438 30.070 29.460 0.287 0.000 1.215 373 W HN 0.745 nan 8.180 nan 0.000 0.643 374 Q N -0.342 119.903 119.800 0.741 0.000 2.297 374 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 374 Q C 1.297 177.522 176.000 0.374 0.000 0.962 374 Q CA 1.532 57.608 55.803 0.454 0.000 0.879 374 Q CB -0.099 28.841 28.738 0.335 0.000 0.947 374 Q HN 0.507 nan 8.270 nan 0.000 0.462 375 E N 0.836 121.273 120.200 0.396 0.000 2.085 375 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 375 E C 1.965 178.692 176.600 0.211 0.000 0.994 375 E CA 1.660 58.215 56.400 0.258 0.000 0.801 375 E CB -0.141 29.703 29.700 0.240 0.000 0.743 375 E HN 0.238 nan 8.360 nan 0.000 0.453 376 V N 0.358 120.418 119.914 0.243 0.000 2.358 376 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 376 V C 1.946 178.139 176.094 0.164 0.000 1.047 376 V CA 1.797 64.210 62.300 0.188 0.000 1.035 376 V CB -0.479 31.447 31.823 0.172 0.000 0.658 376 V HN 0.283 nan 8.190 nan 0.000 0.452 377 F N 1.368 121.345 119.950 0.046 0.000 2.186 377 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 377 F C 2.125 177.957 175.800 0.054 0.000 1.090 377 F CA 1.751 59.757 58.000 0.011 0.000 1.307 377 F CB -0.171 38.822 39.000 -0.012 0.000 1.019 377 F HN 0.193 nan 8.300 nan 0.000 0.489 378 D N 0.274 120.726 120.400 0.087 0.000 2.144 378 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 378 D C 1.303 177.574 176.300 -0.049 0.000 0.984 378 D CA 1.097 55.092 54.000 -0.009 0.000 0.834 378 D CB -0.499 40.350 40.800 0.082 0.000 0.955 378 D HN 0.303 nan 8.370 nan 0.000 0.465 379 N N 0.827 119.537 118.700 0.017 0.000 2.370 379 N HA -0.007 4.733 4.740 -0.000 0.000 0.198 379 N C 0.109 175.635 175.510 0.026 0.000 1.156 379 N CA 0.076 53.163 53.050 0.061 0.000 0.839 379 N CB 0.303 38.880 38.487 0.150 0.000 0.989 379 N HN 0.022 nan 8.380 nan 0.000 0.468 380 K N -1.208 119.151 120.400 -0.069 0.000 3.274 380 K HA -0.143 4.177 4.320 -0.000 0.000 0.300 380 K C -0.530 176.068 176.600 -0.004 0.000 1.230 380 K CA 0.224 56.464 56.287 -0.077 0.000 0.884 380 K CB -2.356 30.115 32.500 -0.049 0.000 1.242 380 K HN 0.067 nan 8.250 nan 0.000 0.467 381 V N 1.657 121.587 119.914 0.028 0.000 2.617 381 V HA -0.081 4.039 4.120 -0.000 0.000 0.304 381 V C 1.184 177.310 176.094 0.053 0.000 1.040 381 V CA 0.257 62.593 62.300 0.059 0.000 1.149 381 V CB 0.500 32.375 31.823 0.086 0.000 0.914 381 V HN 0.182 nan 8.190 nan 0.000 0.487 382 K N 5.549 125.988 120.400 0.064 0.000 2.430 382 K HA 0.187 4.507 4.320 -0.000 0.000 0.280 382 K C -0.549 176.089 176.600 0.063 0.000 1.063 382 K CA 0.474 56.806 56.287 0.076 0.000 1.071 382 K CB -0.047 32.500 32.500 0.078 0.000 0.899 382 K HN 0.652 nan 8.250 nan 0.000 0.473 383 I N 3.260 123.885 120.570 0.091 0.000 2.582 383 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 383 I C -0.929 175.289 176.117 0.169 0.000 1.066 383 I CA -1.103 60.235 61.300 0.064 0.000 1.053 383 I CB 1.778 39.738 38.000 -0.067 0.000 1.241 383 I HN 0.616 nan 8.210 nan 0.000 0.421 384 Q N 8.748 128.660 119.800 0.187 0.000 2.330 384 Q HA 0.214 4.554 4.340 -0.000 0.000 0.279 384 Q C -1.832 174.398 176.000 0.383 0.000 1.024 384 Q CA -0.933 55.032 55.803 0.270 0.000 0.900 384 Q CB 0.978 29.919 28.738 0.339 0.000 1.221 384 Q HN 0.390 nan 8.270 nan 0.000 0.396 385 P HA -0.138 nan 4.420 nan 0.000 0.223 385 P C -0.576 176.948 177.300 0.373 0.000 1.144 385 P CA 1.249 64.607 63.100 0.431 0.000 0.783 385 P CB 0.374 32.186 31.700 0.186 0.000 0.771 386 D N -0.650 119.912 120.400 0.270 0.000 2.358 386 D HA 0.051 4.691 4.640 -0.000 0.000 0.224 386 D C 0.016 176.405 176.300 0.150 0.000 1.123 386 D CA 0.361 54.471 54.000 0.184 0.000 0.833 386 D CB 0.156 41.021 40.800 0.109 0.000 0.946 386 D HN 0.153 nan 8.370 nan 0.000 0.505 387 T N 1.862 116.545 114.554 0.215 0.000 2.744 387 T HA 0.359 4.709 4.350 -0.000 0.000 0.291 387 T C 0.797 175.537 174.700 0.066 0.000 0.957 387 T CA -0.420 61.769 62.100 0.150 0.000 1.002 387 T CB 1.475 70.449 68.868 0.177 0.000 0.919 387 T HN -0.017 nan 8.240 nan 0.000 0.468 388 I N 4.095 124.675 120.570 0.016 0.000 2.371 388 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 388 I C 0.111 176.163 176.117 -0.107 0.000 1.028 388 I CA -0.841 60.427 61.300 -0.053 0.000 1.345 388 I CB 0.470 38.387 38.000 -0.138 0.000 1.407 388 I HN 0.313 nan 8.210 nan 0.000 0.501 389 I N 5.688 126.199 120.570 -0.097 0.000 2.440 389 I HA 0.250 4.420 4.170 -0.000 0.000 0.294 389 I C 0.060 176.170 176.117 -0.011 0.000 0.995 389 I CA -0.241 61.012 61.300 -0.079 0.000 1.306 389 I CB 1.246 39.144 38.000 -0.171 0.000 1.407 389 I HN 0.714 nan 8.210 nan 0.000 0.501 390 Q N 4.912 124.778 119.800 0.110 0.000 2.363 390 Q HA 0.407 4.747 4.340 -0.000 0.000 0.265 390 Q C -1.432 174.858 176.000 0.483 0.000 1.032 390 Q CA -0.492 55.458 55.803 0.244 0.000 0.746 390 Q CB 1.702 30.557 28.738 0.195 0.000 1.237 390 Q HN 0.495 nan 8.270 nan 0.000 0.475 391 V N 5.837 125.943 119.914 0.320 0.000 2.555 391 V HA 0.108 4.228 4.120 -0.000 0.000 0.286 391 V C 0.559 176.893 176.094 0.401 0.000 1.044 391 V CA 0.257 62.727 62.300 0.284 0.000 1.026 391 V CB 0.288 32.176 31.823 0.108 0.000 0.981 391 V HN 0.939 nan 8.190 nan 0.000 0.480 392 W N 4.573 125.981 121.300 0.180 0.000 2.199 392 W HA 0.333 4.993 4.660 -0.000 0.000 0.264 392 W C 0.213 176.660 176.519 -0.120 0.000 0.923 392 W CA -0.608 56.814 57.345 0.129 0.000 1.221 392 W CB 0.249 29.805 29.460 0.160 0.000 0.974 392 W HN 0.348 nan 8.180 nan 0.000 0.562 393 R N 2.102 122.107 120.500 -0.826 0.000 2.457 393 R HA 0.259 4.598 4.340 -0.000 0.000 0.284 393 R C 0.854 176.935 176.300 -0.366 0.000 1.024 393 R CA -0.259 55.296 56.100 -0.908 0.000 1.025 393 R CB 2.038 31.727 30.300 -1.019 0.000 1.063 393 R HN 0.001 nan 8.270 nan 0.000 0.493 394 E N 0.921 120.948 120.200 -0.289 0.000 2.065 394 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 394 E C 0.316 176.893 176.600 -0.038 0.000 0.960 394 E CA 0.863 57.236 56.400 -0.045 0.000 0.824 394 E CB 0.369 30.027 29.700 -0.070 0.000 0.793 394 E HN 0.583 nan 8.360 nan 0.000 0.459 395 D N -0.093 120.240 120.400 -0.111 0.000 2.531 395 D HA 0.070 4.710 4.640 -0.000 0.000 0.263 395 D C 0.608 176.840 176.300 -0.113 0.000 1.057 395 D CA -0.132 53.809 54.000 -0.098 0.000 0.909 395 D CB 0.695 41.446 40.800 -0.081 0.000 1.236 395 D HN 0.050 nan 8.370 nan 0.000 0.494 396 I N 3.183 123.662 120.570 -0.151 0.000 2.353 396 I HA 0.156 4.325 4.170 -0.000 0.000 0.293 396 I C -1.895 174.113 176.117 -0.182 0.000 0.992 396 I CA -2.279 58.934 61.300 -0.145 0.000 1.268 396 I CB 1.948 39.863 38.000 -0.141 0.000 1.387 396 I HN -0.313 nan 8.210 nan 0.000 0.478 397 P HA -0.028 nan 4.420 nan 0.000 0.220 397 P C 0.282 177.547 177.300 -0.058 0.000 1.152 397 P CA 0.830 63.889 63.100 -0.069 0.000 0.812 397 P CB 0.467 32.145 31.700 -0.037 0.000 0.792 398 V N -0.609 119.270 119.914 -0.059 0.000 3.158 398 V HA 0.292 4.412 4.120 -0.000 0.000 0.311 398 V C -0.321 175.726 176.094 -0.078 0.000 1.181 398 V CA -1.424 60.844 62.300 -0.054 0.000 1.054 398 V CB 2.030 33.837 31.823 -0.026 0.000 1.085 398 V HN -0.091 nan 8.190 nan 0.000 0.446 399 N N 0.857 119.499 118.700 -0.097 0.000 2.407 399 N HA 0.013 4.753 4.740 -0.000 0.000 0.250 399 N C 0.446 175.860 175.510 -0.161 0.000 1.236 399 N CA 0.879 53.833 53.050 -0.160 0.000 0.879 399 N CB 0.544 38.901 38.487 -0.218 0.000 1.088 399 N HN 0.795 nan 8.380 nan 0.000 0.450 400 Y N 1.278 121.511 120.300 -0.111 0.000 2.403 400 Y HA -0.118 4.432 4.550 -0.000 0.000 0.291 400 Y C 1.822 177.652 175.900 -0.117 0.000 1.143 400 Y CA 0.908 58.934 58.100 -0.123 0.000 1.257 400 Y CB -0.148 38.228 38.460 -0.139 0.000 0.984 400 Y HN 0.506 nan 8.280 nan 0.000 0.550 401 M N 0.674 120.040 119.600 -0.389 0.000 2.123 401 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 401 M C 2.170 178.370 176.300 -0.167 0.000 1.069 401 M CA 1.330 56.507 55.300 -0.205 0.000 1.133 401 M CB -0.803 31.662 32.600 -0.225 0.000 1.356 401 M HN 0.256 nan 8.290 nan 0.000 0.415 402 K N 0.409 120.726 120.400 -0.139 0.000 2.057 402 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 402 K C 1.851 178.393 176.600 -0.097 0.000 1.049 402 K CA 1.131 57.368 56.287 -0.084 0.000 0.931 402 K CB -0.171 32.294 32.500 -0.058 0.000 0.714 402 K HN 0.251 nan 8.250 nan 0.000 0.440 403 E N 0.874 121.024 120.200 -0.083 0.000 2.097 403 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 403 E C 2.136 178.643 176.600 -0.155 0.000 1.000 403 E CA 1.013 57.383 56.400 -0.050 0.000 0.804 403 E CB -0.228 29.464 29.700 -0.014 0.000 0.740 403 E HN 0.300 nan 8.360 nan 0.000 0.454 404 L N 0.438 121.487 121.223 -0.291 0.000 2.201 404 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 404 L C 2.550 178.924 176.870 -0.826 0.000 1.105 404 L CA 1.052 55.569 54.840 -0.537 0.000 0.775 404 L CB -0.247 41.417 42.059 -0.658 0.000 0.913 404 L HN 0.154 nan 8.230 nan 0.000 0.440 405 E N 0.425 120.208 120.200 -0.696 0.000 2.028 405 E HA -0.217 4.133 4.350 -0.000 0.000 0.190 405 E C 2.239 178.797 176.600 -0.070 0.000 0.984 405 E CA 0.911 57.126 56.400 -0.309 0.000 0.800 405 E CB 0.032 29.728 29.700 -0.007 0.000 0.758 405 E HN 0.200 nan 8.360 nan 0.000 0.448 406 L N 0.522 121.735 121.223 -0.017 0.000 1.990 406 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 406 L C 2.512 179.463 176.870 0.136 0.000 1.072 406 L CA 1.291 56.215 54.840 0.141 0.000 0.755 406 L CB -0.822 41.393 42.059 0.260 0.000 0.889 406 L HN 0.130 nan 8.230 nan 0.000 0.432 407 V N -0.646 119.176 119.914 -0.154 0.000 2.295 407 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 407 V C 2.602 178.643 176.094 -0.088 0.000 1.049 407 V CA 2.247 64.292 62.300 -0.425 0.000 1.024 407 V CB -1.186 30.323 31.823 -0.523 0.000 0.648 407 V HN 0.735 nan 8.190 nan 0.000 0.447 408 T N -1.370 113.149 114.554 -0.059 0.000 2.777 408 T HA -0.271 4.079 4.350 -0.000 0.000 0.266 408 T C 1.874 176.603 174.700 0.049 0.000 1.040 408 T CA 1.704 63.824 62.100 0.033 0.000 1.141 408 T CB -0.329 68.615 68.868 0.127 0.000 0.868 408 T HN 0.426 nan 8.240 nan 0.000 0.444 409 K N 1.606 122.050 120.400 0.073 0.000 2.063 409 K HA 0.042 4.362 4.320 -0.000 0.000 0.208 409 K C 2.575 179.201 176.600 0.044 0.000 1.048 409 K CA 1.159 57.492 56.287 0.076 0.000 0.928 409 K CB -0.638 31.922 32.500 0.101 0.000 0.713 409 K HN 0.411 nan 8.250 nan 0.000 0.442 410 A N 0.010 122.879 122.820 0.083 0.000 2.019 410 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 410 A C 1.518 178.914 177.584 -0.313 0.000 1.164 410 A CA 1.621 53.685 52.037 0.044 0.000 0.644 410 A CB -0.607 18.648 19.000 0.425 0.000 0.805 410 A HN 0.621 nan 8.150 nan 0.000 0.449 411 G N -3.125 105.491 108.800 -0.307 0.000 2.143 411 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.175 411 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.175 411 G C -0.066 174.564 174.900 -0.450 0.000 1.004 411 G CA -0.099 44.782 45.100 -0.365 0.000 0.671 411 G HN 0.361 nan 8.290 nan 0.000 0.512 412 F N 0.104 120.063 119.950 0.015 0.000 2.509 412 F HA 0.782 5.309 4.527 -0.000 0.000 0.334 412 F C 1.174 176.958 175.800 -0.026 0.000 1.060 412 F CA -1.146 56.849 58.000 -0.007 0.000 0.997 412 F CB 1.002 39.974 39.000 -0.046 0.000 1.271 412 F HN -0.102 nan 8.300 nan 0.000 0.488 413 R N 0.617 121.235 120.500 0.196 0.000 2.500 413 R HA 0.800 5.140 4.340 -0.000 0.000 0.277 413 R C -0.980 175.341 176.300 0.035 0.000 1.026 413 R CA -0.792 55.362 56.100 0.090 0.000 1.058 413 R CB 1.424 31.759 30.300 0.060 0.000 1.078 413 R HN 0.732 nan 8.270 nan 0.000 0.509 414 A N 2.206 125.038 122.820 0.020 0.000 2.454 414 A HA 0.654 4.974 4.320 -0.000 0.000 0.302 414 A C -1.558 176.023 177.584 -0.005 0.000 1.079 414 A CA -0.691 51.341 52.037 -0.008 0.000 0.731 414 A CB 1.329 20.320 19.000 -0.016 0.000 1.299 414 A HN 0.328 nan 8.150 nan 0.000 0.413 415 L N 1.283 122.498 121.223 -0.013 0.000 2.362 415 L HA 0.604 4.944 4.340 -0.000 0.000 0.271 415 L C -0.784 176.143 176.870 0.095 0.000 1.002 415 L CA -0.577 54.271 54.840 0.014 0.000 0.818 415 L CB 1.337 43.360 42.059 -0.061 0.000 1.298 415 L HN 0.720 nan 8.230 nan 0.000 0.420 416 L N 1.363 122.653 121.223 0.112 0.000 2.296 416 L HA 0.571 4.910 4.340 -0.000 0.000 0.286 416 L C 0.466 177.427 176.870 0.152 0.000 1.023 416 L CA 0.828 55.705 54.840 0.062 0.000 0.812 416 L CB 1.661 43.671 42.059 -0.082 0.000 1.223 416 L HN 0.678 nan 8.230 nan 0.000 0.421 417 S N 2.244 118.037 115.700 0.155 0.000 2.648 417 S HA 0.230 4.700 4.470 -0.000 0.000 0.270 417 S C 1.524 176.313 174.600 0.314 0.000 1.080 417 S CA 0.287 58.680 58.200 0.322 0.000 1.159 417 S CB 0.503 63.999 63.200 0.493 0.000 1.091 417 S HN 0.789 nan 8.310 nan 0.000 0.605 418 A N 3.222 126.065 122.820 0.039 0.000 1.884 418 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 418 A C -0.186 177.230 177.584 -0.279 0.000 1.197 418 A CA 2.063 53.990 52.037 -0.183 0.000 0.637 418 A CB -1.706 17.031 19.000 -0.438 0.000 0.827 418 A HN 0.483 nan 8.150 nan 0.000 0.450 419 P HA -0.026 nan 4.420 nan 0.000 0.240 419 P C 0.053 177.382 177.300 0.048 0.000 1.190 419 P CA 0.448 63.328 63.100 -0.367 0.000 0.781 419 P CB -0.029 31.280 31.700 -0.653 0.000 0.931 420 W N -0.421 120.945 121.300 0.111 0.000 2.987 420 W HA 0.274 4.934 4.660 -0.000 0.000 0.441 420 W C -0.292 176.199 176.519 -0.046 0.000 0.853 420 W CA -1.017 56.284 57.345 -0.075 0.000 2.222 420 W CB -1.258 28.142 29.460 -0.100 0.000 1.139 420 W HN -0.088 nan 8.180 nan 0.000 0.819 421 Y N 1.197 121.568 120.300 0.118 0.000 2.584 421 Y HA 0.052 4.602 4.550 -0.000 0.000 0.351 421 Y C 1.448 177.398 175.900 0.083 0.000 1.030 421 Y CA 0.459 58.645 58.100 0.144 0.000 1.332 421 Y CB 0.467 39.044 38.460 0.193 0.000 1.148 421 Y HN -0.103 nan 8.280 nan 0.000 0.528 422 L N 2.764 124.001 121.223 0.023 0.000 2.249 422 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 422 L C 1.997 178.927 176.870 0.099 0.000 1.090 422 L CA 0.451 55.279 54.840 -0.019 0.000 0.802 422 L CB -0.137 41.812 42.059 -0.183 0.000 0.947 422 L HN 0.689 nan 8.230 nan 0.000 0.453 423 N N 1.246 120.027 118.700 0.134 0.000 2.247 423 N HA -0.245 4.495 4.740 -0.000 0.000 0.189 423 N C 0.687 176.351 175.510 0.256 0.000 1.009 423 N CA 0.928 54.105 53.050 0.212 0.000 0.872 423 N CB -0.445 38.230 38.487 0.315 0.000 0.980 423 N HN 0.318 nan 8.380 nan 0.000 0.436 424 R N 1.621 122.291 120.500 0.285 0.000 2.351 424 R HA 0.221 4.561 4.340 -0.000 0.000 0.321 424 R C 0.205 176.646 176.300 0.235 0.000 1.182 424 R CA -0.201 56.054 56.100 0.259 0.000 1.011 424 R CB -0.125 30.346 30.300 0.286 0.000 1.048 424 R HN 0.436 nan 8.270 nan 0.000 0.490 425 I N -0.582 120.095 120.570 0.180 0.000 2.499 425 I HA 0.450 4.620 4.170 -0.000 0.000 0.296 425 I C 0.023 176.222 176.117 0.136 0.000 0.992 425 I CA -0.429 60.967 61.300 0.160 0.000 1.297 425 I CB 1.937 40.012 38.000 0.125 0.000 1.410 425 I HN 0.329 nan 8.210 nan 0.000 0.507 426 S N 4.065 119.847 115.700 0.137 0.000 2.546 426 S HA 0.373 4.843 4.470 -0.000 0.000 0.272 426 S C -0.755 173.924 174.600 0.131 0.000 1.140 426 S CA -0.759 57.516 58.200 0.125 0.000 0.920 426 S CB 0.950 64.210 63.200 0.099 0.000 1.083 426 S HN 0.762 nan 8.310 nan 0.000 0.476 427 Y N 3.369 123.691 120.300 0.038 0.000 2.903 427 Y HA 0.358 4.908 4.550 -0.000 0.000 0.338 427 Y C 0.914 176.833 175.900 0.032 0.000 1.265 427 Y CA 2.286 60.407 58.100 0.035 0.000 1.532 427 Y CB -0.346 38.127 38.460 0.023 0.000 1.293 427 Y HN 1.718 nan 8.280 nan 0.000 0.609 428 G N 4.923 113.268 108.800 -0.759 0.000 2.631 428 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.504 428 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.504 428 G C -2.930 171.849 174.900 -0.202 0.000 1.306 428 G CA -0.711 44.063 45.100 -0.544 0.000 0.897 428 G HN 0.760 nan 8.290 nan 0.000 0.520 429 P HA 0.248 nan 4.420 nan 0.000 0.238 429 P C 0.164 177.341 177.300 -0.204 0.000 1.794 429 P CA 0.189 63.293 63.100 0.006 0.000 1.088 429 P CB 0.280 31.998 31.700 0.030 0.000 1.923 430 D N 1.036 121.369 120.400 -0.111 0.000 2.363 430 D HA -0.140 4.500 4.640 -0.000 0.000 0.226 430 D C 1.465 177.433 176.300 -0.554 0.000 1.020 430 D CA -0.037 53.788 54.000 -0.292 0.000 0.892 430 D CB -0.596 40.106 40.800 -0.164 0.000 0.900 430 D HN 0.452 nan 8.370 nan 0.000 0.531 431 W N 1.953 123.133 121.300 -0.199 0.000 2.465 431 W HA -0.012 4.648 4.660 -0.000 0.000 0.268 431 W C 0.916 177.434 176.519 -0.002 0.000 1.242 431 W CA 0.204 57.549 57.345 -0.001 0.000 1.248 431 W CB -0.544 29.013 29.460 0.162 0.000 1.118 431 W HN -0.067 nan 8.180 nan 0.000 0.587 432 K N 0.641 120.460 120.400 -0.968 0.000 2.283 432 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 432 K C 1.363 177.778 176.600 -0.308 0.000 1.048 432 K CA 1.584 57.358 56.287 -0.855 0.000 0.948 432 K CB -0.182 31.771 32.500 -0.910 0.000 0.742 432 K HN 0.005 nan 8.250 nan 0.000 0.458 433 D N 0.331 120.509 120.400 -0.369 0.000 2.194 433 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 433 D C 1.601 177.948 176.300 0.079 0.000 0.964 433 D CA 0.970 54.846 54.000 -0.207 0.000 0.846 433 D CB -0.069 40.534 40.800 -0.328 0.000 0.962 433 D HN 0.118 nan 8.370 nan 0.000 0.490 434 F N -0.416 119.747 119.950 0.355 0.000 2.234 434 F HA -0.006 4.521 4.527 -0.000 0.000 0.296 434 F C 2.250 178.402 175.800 0.588 0.000 1.089 434 F CA -0.038 58.306 58.000 0.573 0.000 1.343 434 F CB -1.172 38.109 39.000 0.470 0.000 1.040 434 F HN -0.030 nan 8.300 nan 0.000 0.498 435 Y N -0.223 120.385 120.300 0.512 0.000 2.314 435 Y HA -0.071 4.479 4.550 -0.000 0.000 0.293 435 Y C 2.399 178.508 175.900 0.347 0.000 1.129 435 Y CA 0.946 59.313 58.100 0.444 0.000 1.201 435 Y CB -0.158 38.597 38.460 0.493 0.000 0.999 435 Y HN -0.113 nan 8.280 nan 0.000 0.541 436 V N -0.171 119.975 119.914 0.388 0.000 3.041 436 V HA -0.014 4.106 4.120 -0.000 0.000 0.260 436 V C 0.565 176.799 176.094 0.234 0.000 1.105 436 V CA 0.279 62.737 62.300 0.263 0.000 1.125 436 V CB -0.324 31.608 31.823 0.181 0.000 0.730 436 V HN 0.032 nan 8.190 nan 0.000 0.479 437 V N 2.499 122.604 119.914 0.318 0.000 2.458 437 V HA 0.078 4.198 4.120 -0.000 0.000 0.287 437 V C 0.273 176.531 176.094 0.274 0.000 1.009 437 V CA 0.210 62.678 62.300 0.281 0.000 1.091 437 V CB 0.666 32.632 31.823 0.239 0.000 0.960 437 V HN 0.568 nan 8.190 nan 0.000 0.476 438 E N 8.520 128.847 120.200 0.211 0.000 2.081 438 E HA 0.370 4.720 4.350 -0.000 0.000 0.276 438 E C -1.961 174.777 176.600 0.229 0.000 0.950 438 E CA -2.352 54.174 56.400 0.210 0.000 0.776 438 E CB 1.724 31.519 29.700 0.159 0.000 1.094 438 E HN 0.310 nan 8.360 nan 0.000 0.402 439 P HA -0.094 nan 4.420 nan 0.000 0.217 439 P C 0.582 178.122 177.300 0.400 0.000 1.150 439 P CA 1.068 64.338 63.100 0.284 0.000 0.832 439 P CB 0.218 32.091 31.700 0.289 0.000 0.787 440 L N -1.621 119.796 121.223 0.322 0.000 2.611 440 L HA 0.234 4.574 4.340 -0.000 0.000 0.229 440 L C 1.116 177.930 176.870 -0.093 0.000 1.137 440 L CA -0.291 54.628 54.840 0.132 0.000 0.901 440 L CB -0.508 41.582 42.059 0.051 0.000 1.098 440 L HN -0.143 nan 8.230 nan 0.000 0.456 441 A N 1.360 124.243 122.820 0.104 0.000 3.051 441 A HA 0.339 4.659 4.320 -0.000 0.000 0.257 441 A C -0.132 177.533 177.584 0.135 0.000 1.785 441 A CA -0.153 51.919 52.037 0.058 0.000 1.420 441 A CB -1.243 17.810 19.000 0.088 0.000 1.063 441 A HN 0.384 nan 8.150 nan 0.000 0.630 442 F N -2.223 117.748 119.950 0.036 0.000 2.650 442 F HA 0.765 5.292 4.527 -0.000 0.000 0.320 442 F C -0.384 175.430 175.800 0.023 0.000 1.091 442 F CA -1.752 56.259 58.000 0.019 0.000 0.962 442 F CB 0.901 39.912 39.000 0.020 0.000 1.363 442 F HN 0.026 nan 8.300 nan 0.000 0.482 443 E N 0.661 120.998 120.200 0.227 0.000 2.324 443 E HA 0.563 4.913 4.350 -0.000 0.000 0.271 443 E C -0.078 176.621 176.600 0.164 0.000 1.028 443 E CA 0.545 57.012 56.400 0.112 0.000 0.890 443 E CB 0.695 30.462 29.700 0.112 0.000 1.004 443 E HN 1.108 nan 8.360 nan 0.000 0.431 444 G N 2.110 110.916 108.800 0.010 0.000 2.340 444 G HA2 0.283 4.243 3.960 -0.000 0.000 0.300 444 G HA3 0.283 4.243 3.960 -0.000 0.000 0.300 444 G C -0.644 174.235 174.900 -0.035 0.000 1.488 444 G CA -0.344 44.781 45.100 0.042 0.000 0.878 444 G HN 0.606 nan 8.290 nan 0.000 0.618 445 T N -0.249 114.311 114.554 0.008 0.000 2.899 445 T HA 0.645 4.995 4.350 -0.000 0.000 0.284 445 T C -1.187 173.503 174.700 -0.017 0.000 1.004 445 T CA -1.148 60.947 62.100 -0.007 0.000 1.043 445 T CB 1.959 70.833 68.868 0.010 0.000 1.013 445 T HN 0.195 nan 8.240 nan 0.000 0.518 446 P HA -0.282 nan 4.420 nan 0.000 0.219 446 P C 1.649 178.944 177.300 -0.009 0.000 1.159 446 P CA 1.741 64.827 63.100 -0.023 0.000 0.944 446 P CB 0.014 31.703 31.700 -0.018 0.000 0.792 447 E N -0.248 119.952 120.200 0.002 0.000 2.358 447 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 447 E C 2.007 178.627 176.600 0.033 0.000 1.010 447 E CA 0.851 57.257 56.400 0.011 0.000 0.856 447 E CB -0.798 28.905 29.700 0.006 0.000 0.795 447 E HN 0.423 nan 8.360 nan 0.000 0.504 448 Q N 1.175 121.002 119.800 0.045 0.000 2.212 448 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 448 Q C 1.800 177.894 176.000 0.157 0.000 0.950 448 Q CA 0.696 56.553 55.803 0.090 0.000 0.863 448 Q CB 0.183 28.980 28.738 0.098 0.000 0.944 448 Q HN 0.177 nan 8.270 nan 0.000 0.465 449 K N -0.092 120.367 120.400 0.099 0.000 2.148 449 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 449 K C 1.843 178.525 176.600 0.136 0.000 1.050 449 K CA 0.865 57.220 56.287 0.113 0.000 0.942 449 K CB 0.009 32.466 32.500 -0.072 0.000 0.724 449 K HN 0.153 nan 8.250 nan 0.000 0.446 450 A N 1.005 123.869 122.820 0.073 0.000 2.172 450 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 450 A C 1.797 179.428 177.584 0.079 0.000 1.154 450 A CA 0.888 52.955 52.037 0.050 0.000 0.701 450 A CB -0.421 18.588 19.000 0.016 0.000 0.789 450 A HN 0.173 nan 8.150 nan 0.000 0.465 451 L N -0.320 120.969 121.223 0.110 0.000 2.554 451 L HA 0.044 4.384 4.340 -0.000 0.000 0.226 451 L C 0.054 177.006 176.870 0.137 0.000 1.137 451 L CA -0.160 54.744 54.840 0.106 0.000 0.863 451 L CB 0.070 42.182 42.059 0.089 0.000 0.985 451 L HN 0.074 nan 8.230 nan 0.000 0.451 452 V N 2.175 122.213 119.914 0.207 0.000 2.427 452 V HA 0.009 4.129 4.120 -0.000 0.000 0.268 452 V C 1.072 177.371 176.094 0.341 0.000 1.046 452 V CA 0.169 62.634 62.300 0.275 0.000 0.970 452 V CB 0.987 33.052 31.823 0.404 0.000 1.001 452 V HN 0.250 nan 8.190 nan 0.000 0.476 453 I N 2.026 122.761 120.570 0.275 0.000 4.018 453 I HA 0.743 4.913 4.170 -0.000 0.000 0.337 453 I C 0.891 177.265 176.117 0.428 0.000 1.327 453 I CA 0.423 61.898 61.300 0.291 0.000 1.100 453 I CB 0.229 38.298 38.000 0.114 0.000 1.025 453 I HN 0.675 nan 8.210 nan 0.000 0.396 454 G N 0.384 109.393 108.800 0.349 0.000 2.439 454 G HA2 0.462 4.422 3.960 -0.000 0.000 0.186 454 G HA3 0.462 4.422 3.960 -0.000 0.000 0.186 454 G C -0.763 174.143 174.900 0.010 0.000 1.260 454 G CA -0.153 45.015 45.100 0.113 0.000 1.020 454 G HN 0.670 nan 8.290 nan 0.000 0.470 455 G N -1.226 107.675 108.800 0.168 0.000 2.441 455 G HA2 0.624 4.584 3.960 -0.000 0.000 0.294 455 G HA3 0.624 4.584 3.960 -0.000 0.000 0.294 455 G C -2.016 173.062 174.900 0.298 0.000 1.393 455 G CA -0.178 45.084 45.100 0.271 0.000 0.796 455 G HN 0.703 nan 8.290 nan 0.000 0.494 456 E N -0.718 119.674 120.200 0.319 0.000 2.292 456 E HA 0.589 4.939 4.350 -0.000 0.000 0.272 456 E C -0.116 176.586 176.600 0.170 0.000 0.881 456 E CA -0.847 55.672 56.400 0.198 0.000 0.754 456 E CB 2.549 32.362 29.700 0.188 0.000 1.201 456 E HN 0.809 nan 8.360 nan 0.000 0.425 457 A N 1.466 124.284 122.820 -0.003 0.000 2.371 457 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 457 A C -0.407 177.052 177.584 -0.208 0.000 1.089 457 A CA -0.385 51.597 52.037 -0.092 0.000 0.794 457 A CB 0.268 19.123 19.000 -0.241 0.000 1.029 457 A HN 0.716 nan 8.150 nan 0.000 0.488 458 C N 3.284 122.415 119.300 -0.282 0.000 2.321 458 C HA 0.520 4.980 4.460 -0.000 0.000 0.323 458 C C -0.114 174.571 174.990 -0.508 0.000 1.191 458 C CA -0.595 58.106 59.018 -0.528 0.000 1.455 458 C CB -0.161 27.152 27.740 -0.712 0.000 2.083 458 C HN 0.781 nan 8.230 nan 0.000 0.442 459 M N 3.104 122.341 119.600 -0.605 0.000 2.103 459 M HA 0.287 4.767 4.480 -0.000 0.000 0.350 459 M C -0.942 175.052 176.300 -0.510 0.000 1.100 459 M CA -0.523 54.528 55.300 -0.415 0.000 1.042 459 M CB 0.288 32.705 32.600 -0.304 0.000 1.368 459 M HN 0.742 nan 8.290 nan 0.000 0.404 460 W N 1.175 122.374 121.300 -0.168 0.000 2.376 460 W HA 0.492 5.152 4.660 -0.000 0.000 0.322 460 W C 1.433 177.913 176.519 -0.064 0.000 1.160 460 W CA -0.568 56.687 57.345 -0.151 0.000 1.218 460 W CB 0.899 30.254 29.460 -0.176 0.000 1.205 460 W HN 0.814 nan 8.180 nan 0.000 0.559 461 G N 1.221 110.146 108.800 0.208 0.000 3.124 461 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.212 461 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.212 461 G C 1.012 176.036 174.900 0.207 0.000 1.181 461 G CA 0.053 45.272 45.100 0.198 0.000 0.803 461 G HN 0.456 nan 8.290 nan 0.000 0.529 462 E N 0.443 120.647 120.200 0.007 0.000 2.012 462 E HA -0.110 4.239 4.350 -0.000 0.000 0.197 462 E C 0.603 176.954 176.600 -0.414 0.000 1.007 462 E CA 1.299 57.466 56.400 -0.389 0.000 0.816 462 E CB -0.186 28.934 29.700 -0.966 0.000 0.762 462 E HN 0.614 nan 8.360 nan 0.000 0.451 463 Y N -1.291 119.099 120.300 0.150 0.000 2.720 463 Y HA 0.466 5.016 4.550 -0.000 0.000 0.268 463 Y C -0.535 175.353 175.900 -0.021 0.000 1.142 463 Y CA -0.457 57.685 58.100 0.070 0.000 1.193 463 Y CB 0.798 39.302 38.460 0.072 0.000 1.176 463 Y HN -0.222 nan 8.280 nan 0.000 0.542 464 V N 1.485 121.392 119.914 -0.012 0.000 2.888 464 V HA 0.507 4.627 4.120 -0.000 0.000 0.309 464 V C -0.942 175.025 176.094 -0.212 0.000 1.114 464 V CA -0.619 61.637 62.300 -0.073 0.000 0.940 464 V CB 2.589 34.416 31.823 0.005 0.000 1.021 464 V HN 0.393 nan 8.190 nan 0.000 0.426 465 D N 1.814 122.102 120.400 -0.186 0.000 3.557 465 D HA 0.106 4.746 4.640 -0.000 0.000 0.331 465 D C 0.874 177.152 176.300 -0.036 0.000 1.442 465 D CA -0.182 53.761 54.000 -0.095 0.000 0.971 465 D CB 0.281 41.003 40.800 -0.131 0.000 1.423 465 D HN 0.294 nan 8.370 nan 0.000 0.604 466 N N -1.051 117.649 118.700 0.001 0.000 2.182 466 N HA -0.257 4.483 4.740 -0.000 0.000 0.192 466 N C 1.391 176.901 175.510 0.000 0.000 1.007 466 N CA 2.105 55.159 53.050 0.006 0.000 0.873 466 N CB 0.044 38.549 38.487 0.030 0.000 0.998 466 N HN 0.436 nan 8.380 nan 0.000 0.436 467 T N -0.725 113.823 114.554 -0.010 0.000 3.014 467 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 467 T C 0.975 175.674 174.700 -0.002 0.000 1.078 467 T CA 1.257 63.357 62.100 -0.001 0.000 1.135 467 T CB 0.009 68.876 68.868 -0.001 0.000 0.895 467 T HN 0.501 nan 8.240 nan 0.000 0.480 468 N N -0.021 118.670 118.700 -0.015 0.000 2.082 468 N HA 0.098 4.838 4.740 -0.000 0.000 0.228 468 N C 1.361 176.858 175.510 -0.021 0.000 1.341 468 N CA -0.050 52.994 53.050 -0.011 0.000 0.873 468 N CB -0.610 37.877 38.487 -0.001 0.000 1.137 468 N HN 0.316 nan 8.380 nan 0.000 0.505 469 L N 1.416 122.621 121.223 -0.029 0.000 1.989 469 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 469 L C 1.753 178.591 176.870 -0.053 0.000 1.071 469 L CA 1.528 56.340 54.840 -0.048 0.000 0.749 469 L CB -0.501 41.530 42.059 -0.046 0.000 0.890 469 L HN -0.030 nan 8.230 nan 0.000 0.431 470 V N 0.936 120.844 119.914 -0.010 0.000 2.231 470 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 470 V C -0.101 176.019 176.094 0.044 0.000 1.054 470 V CA 2.368 64.703 62.300 0.057 0.000 1.015 470 V CB -2.556 29.288 31.823 0.034 0.000 0.638 470 V HN 0.439 nan 8.190 nan 0.000 0.444 471 P HA -0.189 nan 4.420 nan 0.000 0.215 471 P C 1.698 178.977 177.300 -0.035 0.000 1.157 471 P CA 1.660 64.736 63.100 -0.039 0.000 0.863 471 P CB -0.096 31.574 31.700 -0.051 0.000 0.787 472 R N -0.133 120.342 120.500 -0.042 0.000 2.096 472 R HA -0.135 4.205 4.340 -0.000 0.000 0.240 472 R C 2.592 178.822 176.300 -0.118 0.000 1.139 472 R CA 1.474 57.547 56.100 -0.045 0.000 0.952 472 R CB -1.072 29.209 30.300 -0.033 0.000 0.854 472 R HN 0.101 nan 8.270 nan 0.000 0.436 473 L N -0.904 120.174 121.223 -0.243 0.000 1.961 473 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 473 L C 0.468 176.992 176.870 -0.577 0.000 1.072 473 L CA 1.221 55.724 54.840 -0.561 0.000 0.749 473 L CB -0.224 41.283 42.059 -0.920 0.000 0.889 473 L HN 0.207 nan 8.230 nan 0.000 0.432 474 W N -0.746 120.501 121.300 -0.087 0.000 2.496 474 W HA 0.314 4.974 4.660 -0.000 0.000 0.327 474 W C -1.812 174.614 176.519 -0.154 0.000 1.086 474 W CA -1.733 55.539 57.345 -0.122 0.000 1.222 474 W CB 0.081 29.445 29.460 -0.161 0.000 1.304 474 W HN -0.136 nan 8.180 nan 0.000 0.547 475 P HA 0.178 nan 4.420 nan 0.000 0.241 475 P C 0.567 177.871 177.300 0.007 0.000 1.783 475 P CA -0.044 63.082 63.100 0.043 0.000 1.052 475 P CB 0.254 31.828 31.700 -0.211 0.000 1.594 476 R N 0.262 120.785 120.500 0.039 0.000 2.093 476 R HA 0.097 4.437 4.340 -0.000 0.000 0.224 476 R C 2.028 178.395 176.300 0.111 0.000 1.101 476 R CA 1.347 57.546 56.100 0.164 0.000 0.979 476 R CB -0.646 29.774 30.300 0.201 0.000 0.877 476 R HN 0.179 nan 8.270 nan 0.000 0.441 477 A N 0.826 123.574 122.820 -0.120 0.000 2.066 477 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 477 A C 2.212 179.839 177.584 0.072 0.000 1.157 477 A CA 1.255 53.168 52.037 -0.206 0.000 0.670 477 A CB -0.592 18.063 19.000 -0.576 0.000 0.804 477 A HN 0.423 nan 8.150 nan 0.000 0.453 478 G N -0.512 108.457 108.800 0.281 0.000 2.471 478 G HA2 0.070 4.030 3.960 -0.000 0.000 0.219 478 G HA3 0.070 4.030 3.960 -0.000 0.000 0.219 478 G C 1.562 176.875 174.900 0.689 0.000 1.125 478 G CA 1.103 46.505 45.100 0.503 0.000 0.775 478 G HN 0.682 nan 8.290 nan 0.000 0.548 479 A N 0.306 123.441 122.820 0.527 0.000 1.898 479 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 479 A C 2.537 180.392 177.584 0.450 0.000 1.181 479 A CA 1.660 54.158 52.037 0.769 0.000 0.620 479 A CB -0.457 19.049 19.000 0.845 0.000 0.819 479 A HN 0.242 nan 8.150 nan 0.000 0.442 480 V N -0.104 119.851 119.914 0.068 0.000 2.515 480 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 480 V C 2.981 178.940 176.094 -0.224 0.000 1.058 480 V CA 1.642 63.677 62.300 -0.441 0.000 1.064 480 V CB -1.251 30.098 31.823 -0.789 0.000 0.675 480 V HN 0.591 nan 8.190 nan 0.000 0.461 481 A N 0.145 122.999 122.820 0.057 0.000 1.933 481 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 481 A C 2.288 179.922 177.584 0.084 0.000 1.175 481 A CA 2.123 54.240 52.037 0.132 0.000 0.628 481 A CB -0.403 18.780 19.000 0.304 0.000 0.814 481 A HN 0.646 nan 8.150 nan 0.000 0.444 482 E N -0.884 119.338 120.200 0.036 0.000 2.112 482 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 482 E C 2.178 178.755 176.600 -0.038 0.000 0.979 482 E CA 0.861 57.166 56.400 -0.158 0.000 0.814 482 E CB -0.074 29.319 29.700 -0.513 0.000 0.762 482 E HN 0.345 nan 8.360 nan 0.000 0.460 483 R N 0.545 121.006 120.500 -0.064 0.000 2.120 483 R HA -0.041 4.298 4.340 -0.000 0.000 0.234 483 R C 1.956 178.304 176.300 0.081 0.000 1.123 483 R CA 1.356 57.427 56.100 -0.048 0.000 0.975 483 R CB -0.441 29.835 30.300 -0.040 0.000 0.866 483 R HN 0.320 nan 8.270 nan 0.000 0.446 484 L N -1.393 119.854 121.223 0.039 0.000 2.307 484 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 484 L C 2.122 179.199 176.870 0.345 0.000 1.099 484 L CA 0.405 55.331 54.840 0.143 0.000 0.816 484 L CB -0.341 41.712 42.059 -0.010 0.000 0.952 484 L HN 0.326 nan 8.230 nan 0.000 0.455 485 W N 0.471 121.812 121.300 0.067 0.000 2.601 485 W HA 0.139 4.799 4.660 -0.000 0.000 0.292 485 W C 1.106 177.604 176.519 -0.035 0.000 1.153 485 W CA 0.227 57.589 57.345 0.029 0.000 1.448 485 W CB -0.152 29.295 29.460 -0.022 0.000 1.113 485 W HN -0.102 nan 8.180 nan 0.000 0.548 486 S N 1.527 117.431 115.700 0.339 0.000 2.606 486 S HA -0.017 4.453 4.470 -0.000 0.000 0.257 486 S C 0.248 174.888 174.600 0.068 0.000 1.327 486 S CA -0.516 57.814 58.200 0.217 0.000 0.984 486 S CB 0.197 63.511 63.200 0.191 0.000 0.941 486 S HN 0.160 nan 8.310 nan 0.000 0.576 487 N N 0.687 119.421 118.700 0.056 0.000 2.415 487 N HA 0.003 4.743 4.740 -0.000 0.000 0.248 487 N C 1.186 176.740 175.510 0.073 0.000 1.271 487 N CA -0.054 53.014 53.050 0.029 0.000 0.913 487 N CB 0.425 38.939 38.487 0.045 0.000 1.129 487 N HN 0.592 nan 8.380 nan 0.000 0.444 488 K N 2.024 122.464 120.400 0.067 0.000 2.113 488 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 488 K C 1.732 178.381 176.600 0.082 0.000 1.047 488 K CA 1.437 57.775 56.287 0.086 0.000 0.928 488 K CB -0.013 32.529 32.500 0.070 0.000 0.716 488 K HN 0.563 nan 8.250 nan 0.000 0.446 489 L N 0.336 121.607 121.223 0.080 0.000 2.209 489 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 489 L C 0.710 177.641 176.870 0.101 0.000 1.094 489 L CA 0.389 55.277 54.840 0.081 0.000 0.790 489 L CB -0.197 41.904 42.059 0.069 0.000 0.932 489 L HN -0.007 nan 8.230 nan 0.000 0.447 490 T N 0.466 115.097 114.554 0.127 0.000 2.771 490 T HA 0.127 4.477 4.350 -0.000 0.000 0.277 490 T C 0.896 175.718 174.700 0.204 0.000 0.919 490 T CA 0.582 62.785 62.100 0.171 0.000 1.163 490 T CB 0.106 69.120 68.868 0.244 0.000 0.876 490 T HN 0.435 nan 8.240 nan 0.000 0.545 491 S N 0.689 116.553 115.700 0.274 0.000 2.760 491 S HA 0.077 4.547 4.470 -0.000 0.000 0.263 491 S C -0.104 174.774 174.600 0.463 0.000 1.007 491 S CA -0.606 57.826 58.200 0.387 0.000 1.358 491 S CB -0.005 63.318 63.200 0.204 0.000 1.228 491 S HN 0.529 nan 8.310 nan 0.000 0.684 492 D N 3.345 123.940 120.400 0.325 0.000 2.368 492 D HA 0.111 4.751 4.640 -0.000 0.000 0.268 492 D C 1.391 177.842 176.300 0.251 0.000 1.298 492 D CA -0.238 53.903 54.000 0.234 0.000 0.938 492 D CB 0.308 41.198 40.800 0.149 0.000 1.101 492 D HN 0.042 nan 8.370 nan 0.000 0.509 493 L N 3.626 124.962 121.223 0.188 0.000 2.021 493 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 493 L C 2.312 179.288 176.870 0.178 0.000 1.074 493 L CA 1.529 56.441 54.840 0.119 0.000 0.760 493 L CB -1.619 40.465 42.059 0.041 0.000 0.889 493 L HN 0.460 nan 8.230 nan 0.000 0.433 494 T N -0.621 114.033 114.554 0.167 0.000 2.684 494 T HA -0.239 4.110 4.350 -0.000 0.000 0.267 494 T C 1.755 176.623 174.700 0.279 0.000 1.036 494 T CA 1.461 63.678 62.100 0.195 0.000 1.148 494 T CB -0.370 68.576 68.868 0.129 0.000 0.863 494 T HN 0.251 nan 8.240 nan 0.000 0.436 495 F N 1.374 121.368 119.950 0.074 0.000 2.171 495 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 495 F C 2.383 178.220 175.800 0.063 0.000 1.090 495 F CA 0.930 58.940 58.000 0.017 0.000 1.293 495 F CB -0.219 38.732 39.000 -0.083 0.000 1.013 495 F HN 0.152 nan 8.300 nan 0.000 0.486 496 A N -0.174 122.708 122.820 0.102 0.000 1.877 496 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 496 A C 1.975 179.593 177.584 0.058 0.000 1.186 496 A CA 1.680 53.765 52.037 0.080 0.000 0.620 496 A CB -1.664 17.181 19.000 -0.258 0.000 0.822 496 A HN 0.640 nan 8.150 nan 0.000 0.443 497 Y N 1.122 121.478 120.300 0.093 0.000 2.053 497 Y HA -0.304 4.246 4.550 -0.000 0.000 0.277 497 Y C 2.216 178.046 175.900 -0.115 0.000 1.159 497 Y CA 2.546 60.663 58.100 0.030 0.000 1.125 497 Y CB -0.579 37.996 38.460 0.193 0.000 0.969 497 Y HN 0.497 nan 8.280 nan 0.000 0.492 498 E N -0.200 119.926 120.200 -0.123 0.000 2.085 498 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 498 E C 2.332 178.760 176.600 -0.288 0.000 0.994 498 E CA 1.610 57.871 56.400 -0.232 0.000 0.801 498 E CB -0.192 29.486 29.700 -0.038 0.000 0.743 498 E HN 0.516 nan 8.360 nan 0.000 0.453 499 R N 0.027 120.367 120.500 -0.267 0.000 2.062 499 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 499 R C 2.399 178.584 176.300 -0.191 0.000 1.125 499 R CA 0.592 56.611 56.100 -0.134 0.000 0.966 499 R CB -0.309 29.961 30.300 -0.051 0.000 0.861 499 R HN 0.103 nan 8.270 nan 0.000 0.433 500 L N 1.216 122.129 121.223 -0.517 0.000 2.131 500 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 500 L C 2.296 178.767 176.870 -0.666 0.000 1.092 500 L CA 1.936 56.194 54.840 -0.970 0.000 0.759 500 L CB -0.503 40.708 42.059 -1.413 0.000 0.903 500 L HN 0.161 nan 8.230 nan 0.000 0.435 501 S N -1.974 113.346 115.700 -0.635 0.000 2.371 501 S HA -0.267 4.203 4.470 -0.000 0.000 0.224 501 S C 2.150 176.533 174.600 -0.362 0.000 1.029 501 S CA 1.068 58.938 58.200 -0.550 0.000 0.978 501 S CB -0.912 61.854 63.200 -0.724 0.000 0.833 501 S HN 0.701 nan 8.310 nan 0.000 0.466 502 H N 0.587 119.449 119.070 -0.347 0.000 2.387 502 H HA 0.026 4.582 4.556 -0.000 0.000 0.299 502 H C 1.692 176.929 175.328 -0.152 0.000 1.090 502 H CA 1.775 57.688 56.048 -0.226 0.000 1.332 502 H CB -0.619 29.045 29.762 -0.163 0.000 1.386 502 H HN 0.533 nan 8.280 nan 0.000 0.516 503 F N 0.557 120.260 119.950 -0.411 0.000 2.259 503 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 503 F C 2.723 178.248 175.800 -0.458 0.000 1.088 503 F CA 0.691 58.428 58.000 -0.439 0.000 1.358 503 F CB -0.078 38.682 39.000 -0.399 0.000 1.040 503 F HN 0.069 nan 8.300 nan 0.000 0.505 504 R N 0.210 120.414 120.500 -0.493 0.000 2.081 504 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 504 R C 2.161 178.184 176.300 -0.462 0.000 1.131 504 R CA 1.951 57.749 56.100 -0.503 0.000 0.960 504 R CB -1.296 28.761 30.300 -0.406 0.000 0.856 504 R HN 0.401 nan 8.270 nan 0.000 0.436 505 c N 0.529 118.873 118.600 -0.425 0.000 2.440 505 c HA -0.056 4.514 4.570 -0.000 0.000 0.278 505 c C 2.568 176.417 174.090 -0.401 0.000 1.295 505 c CA 0.954 57.060 56.329 -0.372 0.000 1.738 505 c CB -0.669 41.627 42.510 -0.357 0.000 1.987 505 c HN 0.559 nan 8.230 nan 0.000 0.492 506 E N 0.955 120.849 120.200 -0.511 0.000 2.106 506 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 506 E C 1.937 178.196 176.600 -0.569 0.000 0.984 506 E CA 1.196 57.301 56.400 -0.492 0.000 0.806 506 E CB -0.401 29.028 29.700 -0.452 0.000 0.750 506 E HN 0.591 nan 8.360 nan 0.000 0.458 507 L N -0.276 120.507 121.223 -0.734 0.000 2.083 507 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 507 L C 2.181 178.780 176.870 -0.452 0.000 1.083 507 L CA 0.393 54.803 54.840 -0.716 0.000 0.752 507 L CB -0.422 41.158 42.059 -0.797 0.000 0.899 507 L HN 0.214 nan 8.230 nan 0.000 0.433 508 L N -0.133 120.876 121.223 -0.355 0.000 1.989 508 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 508 L C 2.701 179.498 176.870 -0.122 0.000 1.071 508 L CA 1.718 56.448 54.840 -0.183 0.000 0.749 508 L CB -0.814 41.167 42.059 -0.130 0.000 0.890 508 L HN 0.184 nan 8.230 nan 0.000 0.431 509 R N -0.347 120.042 120.500 -0.186 0.000 2.241 509 R HA -0.105 4.235 4.340 -0.000 0.000 0.224 509 R C 1.492 177.695 176.300 -0.162 0.000 1.101 509 R CA 0.945 56.955 56.100 -0.151 0.000 0.995 509 R CB 0.009 30.206 30.300 -0.171 0.000 0.870 509 R HN 0.329 nan 8.270 nan 0.000 0.463 510 R N -1.006 119.352 120.500 -0.238 0.000 2.388 510 R HA 0.134 4.474 4.340 -0.000 0.000 0.247 510 R C 0.526 176.743 176.300 -0.138 0.000 0.931 510 R CA 0.488 56.444 56.100 -0.239 0.000 1.082 510 R CB 0.869 30.895 30.300 -0.456 0.000 1.135 510 R HN 0.351 nan 8.270 nan 0.000 0.525 511 G N 0.933 109.692 108.800 -0.068 0.000 2.160 511 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 511 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 511 G C -0.012 174.897 174.900 0.015 0.000 1.022 511 G CA -0.012 45.116 45.100 0.048 0.000 0.741 511 G HN 0.149 nan 8.290 nan 0.000 0.508 512 V N 0.120 119.948 119.914 -0.142 0.000 2.427 512 V HA 0.414 4.534 4.120 -0.000 0.000 0.286 512 V C 0.991 176.797 176.094 -0.480 0.000 1.034 512 V CA -0.214 61.925 62.300 -0.267 0.000 0.893 512 V CB 1.889 33.502 31.823 -0.350 0.000 0.982 512 V HN 0.390 nan 8.190 nan 0.000 0.452 513 Q N 2.923 122.376 119.800 -0.577 0.000 2.938 513 Q HA 0.382 4.721 4.340 -0.000 0.000 0.343 513 Q C 0.307 176.042 176.000 -0.441 0.000 1.185 513 Q CA -0.371 54.898 55.803 -0.889 0.000 0.939 513 Q CB 0.117 28.450 28.738 -0.676 0.000 1.480 513 Q HN 0.910 nan 8.270 nan 0.000 0.442 514 A N 2.423 125.032 122.820 -0.352 0.000 2.302 514 A HA 0.261 4.581 4.320 -0.000 0.000 0.295 514 A C -0.200 177.280 177.584 -0.173 0.000 1.235 514 A CA -0.714 51.216 52.037 -0.178 0.000 0.876 514 A CB 0.266 19.158 19.000 -0.181 0.000 1.133 514 A HN 0.665 nan 8.150 nan 0.000 0.533 515 Q N 3.872 123.607 119.800 -0.108 0.000 2.364 515 Q HA 0.463 4.803 4.340 -0.000 0.000 0.267 515 Q C -2.449 173.500 176.000 -0.084 0.000 0.999 515 Q CA -1.274 54.480 55.803 -0.081 0.000 0.886 515 Q CB 0.187 28.902 28.738 -0.039 0.000 1.243 515 Q HN 0.473 nan 8.270 nan 0.000 0.415 516 P HA -0.029 nan 4.420 nan 0.000 0.272 516 P C -0.005 177.259 177.300 -0.060 0.000 1.230 516 P CA -0.180 62.871 63.100 -0.082 0.000 0.788 516 P CB 0.858 32.535 31.700 -0.038 0.000 0.949 517 L N 0.336 121.503 121.223 -0.093 0.000 2.072 517 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 517 L C 1.571 178.520 176.870 0.132 0.000 1.079 517 L CA 1.406 56.229 54.840 -0.029 0.000 0.752 517 L CB -0.415 41.547 42.059 -0.163 0.000 0.906 517 L HN 0.586 nan 8.230 nan 0.000 0.436 518 N N -2.049 116.723 118.700 0.120 0.000 3.364 518 N HA 0.210 4.950 4.740 -0.000 0.000 0.294 518 N C -1.088 174.482 175.510 0.100 0.000 1.562 518 N CA -0.641 52.487 53.050 0.130 0.000 0.862 518 N CB 1.718 40.326 38.487 0.202 0.000 1.691 518 N HN -0.170 nan 8.380 nan 0.000 0.572 519 V N -0.204 119.767 119.914 0.096 0.000 2.694 519 V HA 0.640 4.760 4.120 -0.000 0.000 0.306 519 V C 0.755 176.922 176.094 0.121 0.000 1.054 519 V CA 1.077 63.433 62.300 0.094 0.000 1.161 519 V CB -0.103 31.768 31.823 0.081 0.000 0.916 519 V HN 0.917 nan 8.190 nan 0.000 0.490 520 G N 3.655 112.535 108.800 0.134 0.000 2.491 520 G HA2 0.523 4.483 3.960 -0.000 0.000 0.183 520 G HA3 0.523 4.483 3.960 -0.000 0.000 0.183 520 G C -1.061 174.015 174.900 0.293 0.000 1.221 520 G CA -0.096 45.126 45.100 0.204 0.000 0.996 520 G HN 2.219 nan 8.290 nan 0.000 0.474 521 F N -1.566 118.383 119.950 -0.001 0.000 2.807 521 F HA 0.744 5.271 4.527 -0.000 0.000 0.316 521 F C -1.225 174.558 175.800 -0.028 0.000 1.162 521 F CA -1.670 56.324 58.000 -0.011 0.000 0.910 521 F CB 0.698 39.697 39.000 -0.002 0.000 1.314 521 F HN 0.774 nan 8.300 nan 0.000 0.454 522 c N 2.315 120.792 118.600 -0.205 0.000 2.455 522 c HA 0.490 5.060 4.570 -0.000 0.000 0.320 522 c C 1.110 175.191 174.090 -0.015 0.000 1.226 522 c CA -0.346 55.773 56.329 -0.350 0.000 1.569 522 c CB 1.350 43.741 42.510 -0.199 0.000 2.200 522 c HN 0.967 nan 8.230 nan 0.000 0.491 523 E N 0.316 120.493 120.200 -0.039 0.000 2.209 523 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 523 E C 0.683 177.350 176.600 0.111 0.000 0.993 523 E CA 1.135 57.660 56.400 0.208 0.000 0.819 523 E CB -0.031 29.754 29.700 0.141 0.000 0.745 523 E HN 0.566 nan 8.360 nan 0.000 0.477 524 Q N 0.691 120.511 119.800 0.034 0.000 2.824 524 Q HA 0.166 4.506 4.340 -0.000 0.000 0.371 524 Q C -1.196 174.817 176.000 0.023 0.000 1.071 524 Q CA -0.271 55.541 55.803 0.016 0.000 1.064 524 Q CB 0.503 29.231 28.738 -0.016 0.000 1.332 524 Q HN -0.020 nan 8.270 nan 0.000 0.445 525 E N 0.455 120.689 120.200 0.056 0.000 2.442 525 E HA -0.039 4.311 4.350 -0.000 0.000 0.262 525 E C -0.985 175.660 176.600 0.075 0.000 1.004 525 E CA 0.058 56.504 56.400 0.077 0.000 0.928 525 E CB 0.357 30.113 29.700 0.092 0.000 0.937 525 E HN 0.351 nan 8.360 nan 0.000 0.446 526 F N 4.176 124.104 119.950 -0.037 0.000 2.543 526 F HA 0.105 4.632 4.527 -0.000 0.000 0.375 526 F C 0.059 175.843 175.800 -0.028 0.000 1.075 526 F CA 0.259 58.233 58.000 -0.044 0.000 1.225 526 F CB 0.276 39.243 39.000 -0.056 0.000 1.099 526 F HN 0.407 nan 8.300 nan 0.000 0.561 527 E N 6.333 126.054 120.200 -0.799 0.000 2.313 527 E HA 0.356 4.706 4.350 -0.000 0.000 0.280 527 E C -1.530 174.640 176.600 -0.718 0.000 0.898 527 E CA -1.072 54.973 56.400 -0.592 0.000 0.803 527 E CB 2.037 31.581 29.700 -0.259 0.000 1.286 527 E HN 0.552 nan 8.360 nan 0.000 0.401 528 Q N 0.000 119.433 119.800 -0.612 0.000 2.315 528 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 528 Q CA 0.000 55.569 55.803 -0.390 0.000 1.022 528 Q CB 0.000 28.468 28.738 -0.449 0.000 1.108 528 Q HN 0.000 nan 8.270 nan 0.000 0.481