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 1m3y_1_D DATA FIRST_RESID 25 DATA SEQUENCE TFFKTVYRRY TNFAIESIQQ TINGSVGFGN KVSTQISRNG DLITDIVVEF DATA SEQUENCE VLTKGGNGGT TYYPAEELLQ DVELEIGGQR IDKHYNDWFR TYDALFRMND DATA SEQUENCE DRYNYRRMTD WVNNELVGAQ KRFYVPLIFF FNQTPGLALP LIALQYHEVK DATA SEQUENCE LYFTLASQVQ GVNYNGSSAI AGAAQPTMSV WVDYIFLDTQ ERTRFAQLPH DATA SEQUENCE EYLIEQLQFT GSETATPSAT TQASQNIRLN FNHPTKYLAW NFNNPTNYGQ DATA SEQUENCE YTALANIPGA CSGAGTAAAT VTTPDYGNTG TYNEQLAVLD SAKIQLNGQD DATA SEQUENCE RFATRKGSYF NKVQPYQSIG GVTPAGVYLY SFALKPAGRQ PSGTCNFSRI DATA SEQUENCE DNATLSLTYK TCSIDATSPA AVLGNTETVT ANTATLLTAL NIYAKNYNVL DATA SEQUENCE RIMSGMGGLA YAN 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 25 T HA 0.000 nan 4.350 nan 0.000 0.228 25 T C 0.000 174.380 174.700 -0.533 0.000 1.109 25 T CA 0.000 61.870 62.100 -0.383 0.000 1.349 25 T CB 0.000 68.803 68.868 -0.109 0.000 0.612 26 F N 0.146 119.888 119.950 -0.347 0.000 2.695 26 F HA 0.364 4.892 4.527 0.000 0.000 0.303 26 F C 1.030 176.378 175.800 -0.753 0.000 1.091 26 F CA -0.299 57.345 58.000 -0.593 0.000 1.300 26 F CB 0.153 38.658 39.000 -0.824 0.000 1.071 26 F HN 0.481 nan 8.300 nan 0.000 0.578 27 F N -0.330 119.683 119.950 0.105 0.000 2.639 27 F HA 0.295 4.822 4.527 -0.000 0.000 0.302 27 F C 0.516 176.322 175.800 0.010 0.000 1.097 27 F CA -0.160 57.879 58.000 0.064 0.000 1.294 27 F CB 0.428 39.465 39.000 0.062 0.000 1.027 27 F HN -0.348 nan 8.300 nan 0.000 0.550 28 K N 0.920 121.353 120.400 0.055 0.000 3.088 28 K HA 0.232 4.552 4.320 -0.000 0.000 0.193 28 K C -0.642 175.902 176.600 -0.092 0.000 1.176 28 K CA 0.020 56.308 56.287 0.001 0.000 0.907 28 K CB 0.236 32.746 32.500 0.018 0.000 1.139 28 K HN -0.143 nan 8.250 nan 0.000 0.597 29 T N 1.212 115.667 114.554 -0.166 0.000 2.870 29 T HA 0.172 4.522 4.350 -0.000 0.000 0.300 29 T C -0.206 174.242 174.700 -0.420 0.000 0.989 29 T CA -0.129 61.785 62.100 -0.311 0.000 1.139 29 T CB 0.733 69.330 68.868 -0.452 0.000 0.920 29 T HN 0.087 nan 8.240 nan 0.000 0.537 30 V N 5.804 125.537 119.914 -0.301 0.000 2.259 30 V HA 0.227 4.347 4.120 -0.000 0.000 0.267 30 V C -0.365 175.641 176.094 -0.147 0.000 1.051 30 V CA -0.942 61.236 62.300 -0.203 0.000 0.830 30 V CB -0.773 30.999 31.823 -0.084 0.000 1.080 30 V HN 0.734 nan 8.190 nan 0.000 0.467 31 Y N 3.738 124.065 120.300 0.046 0.000 2.607 31 Y HA 0.217 4.767 4.550 0.000 0.000 0.348 31 Y C 1.233 177.174 175.900 0.068 0.000 1.261 31 Y CA 0.042 58.180 58.100 0.062 0.000 1.480 31 Y CB 0.353 38.858 38.460 0.075 0.000 1.358 31 Y HN 0.427 nan 8.280 nan 0.000 0.630 32 R N 1.599 122.270 120.500 0.285 0.000 2.598 32 R HA 0.441 4.781 4.340 -0.000 0.000 0.279 32 R C -0.321 176.105 176.300 0.210 0.000 0.984 32 R CA -0.901 55.317 56.100 0.196 0.000 0.999 32 R CB 0.925 31.329 30.300 0.174 0.000 1.114 32 R HN 0.652 nan 8.270 nan 0.000 0.493 33 R N 1.855 122.434 120.500 0.132 0.000 2.404 33 R HA 0.295 4.635 4.340 -0.000 0.000 0.291 33 R C -0.324 176.040 176.300 0.108 0.000 1.025 33 R CA -0.410 55.718 56.100 0.046 0.000 0.991 33 R CB 0.807 31.100 30.300 -0.012 0.000 1.053 33 R HN 0.596 nan 8.270 nan 0.000 0.479 34 Y N -1.767 118.596 120.300 0.104 0.000 2.730 34 Y HA 0.476 5.026 4.550 -0.000 0.000 0.325 34 Y C 0.168 176.153 175.900 0.143 0.000 1.132 34 Y CA -1.345 56.830 58.100 0.126 0.000 1.206 34 Y CB 0.461 39.017 38.460 0.159 0.000 1.390 34 Y HN 0.357 nan 8.280 nan 0.000 0.555 35 T N 1.881 116.684 114.554 0.414 0.000 2.794 35 T HA 0.178 4.528 4.350 -0.000 0.000 0.296 35 T C -0.294 174.693 174.700 0.479 0.000 0.949 35 T CA -0.533 61.760 62.100 0.322 0.000 1.101 35 T CB -0.545 68.489 68.868 0.278 0.000 0.905 35 T HN 0.744 nan 8.240 nan 0.000 0.516 36 N N 4.330 123.195 118.700 0.276 0.000 2.412 36 N HA 0.337 5.077 4.740 -0.000 0.000 0.258 36 N C -0.620 175.110 175.510 0.366 0.000 1.236 36 N CA 0.228 53.427 53.050 0.248 0.000 0.882 36 N CB -0.136 38.410 38.487 0.098 0.000 1.066 36 N HN 0.593 nan 8.380 nan 0.000 0.465 37 F N 0.656 120.720 119.950 0.189 0.000 2.779 37 F HA 0.863 5.390 4.527 -0.000 0.000 0.316 37 F C -1.575 174.320 175.800 0.159 0.000 1.164 37 F CA -1.243 56.856 58.000 0.165 0.000 0.924 37 F CB 0.774 39.861 39.000 0.146 0.000 1.348 37 F HN 0.496 nan 8.300 nan 0.000 0.467 38 A N 1.241 124.263 122.820 0.337 0.000 2.549 38 A HA 0.842 5.162 4.320 -0.000 0.000 0.297 38 A C -1.665 176.223 177.584 0.507 0.000 1.061 38 A CA -0.793 51.374 52.037 0.217 0.000 0.690 38 A CB 1.403 20.471 19.000 0.113 0.000 1.287 38 A HN 0.826 nan 8.150 nan 0.000 0.402 39 I N 0.361 121.158 120.570 0.378 0.000 2.693 39 I HA 0.694 4.864 4.170 -0.000 0.000 0.303 39 I C -0.194 176.142 176.117 0.364 0.000 1.025 39 I CA -0.496 61.043 61.300 0.398 0.000 1.086 39 I CB 2.203 40.383 38.000 0.301 0.000 1.268 39 I HN 0.745 nan 8.210 nan 0.000 0.440 40 E N 2.398 122.849 120.200 0.418 0.000 2.397 40 E HA 0.175 4.525 4.350 -0.000 0.000 0.293 40 E C -1.766 175.074 176.600 0.400 0.000 0.930 40 E CA -0.299 56.329 56.400 0.380 0.000 0.793 40 E CB 2.249 32.216 29.700 0.445 0.000 1.259 40 E HN 0.535 nan 8.360 nan 0.000 0.406 41 S N 4.598 120.498 115.700 0.333 0.000 2.465 41 S HA 0.533 5.003 4.470 -0.000 0.000 0.279 41 S C -0.323 174.608 174.600 0.550 0.000 1.201 41 S CA -0.302 58.144 58.200 0.410 0.000 1.053 41 S CB 0.061 63.445 63.200 0.305 0.000 0.953 41 S HN 0.367 nan 8.310 nan 0.000 0.488 42 I N 4.141 125.025 120.570 0.524 0.000 2.498 42 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 42 I C 0.171 176.236 176.117 -0.087 0.000 1.032 42 I CA -0.702 60.758 61.300 0.266 0.000 1.073 42 I CB 1.975 40.071 38.000 0.159 0.000 1.251 42 I HN 0.572 nan 8.210 nan 0.000 0.426 43 Q N 3.968 123.286 119.800 -0.803 0.000 2.364 43 Q HA 0.118 4.458 4.340 -0.000 0.000 0.267 43 Q C -0.762 174.906 176.000 -0.553 0.000 0.999 43 Q CA -0.139 54.877 55.803 -1.312 0.000 0.886 43 Q CB 0.976 28.720 28.738 -1.657 0.000 1.243 43 Q HN 0.425 nan 8.270 nan 0.000 0.415 44 Q N 0.966 120.494 119.800 -0.454 0.000 2.214 44 Q HA 0.348 4.688 4.340 -0.000 0.000 0.251 44 Q C -1.142 174.732 176.000 -0.211 0.000 0.936 44 Q CA -0.123 55.548 55.803 -0.220 0.000 0.894 44 Q CB 2.079 30.744 28.738 -0.121 0.000 1.252 44 Q HN 0.597 nan 8.270 nan 0.000 0.448 45 T N 2.516 116.989 114.554 -0.136 0.000 2.729 45 T HA 0.418 4.768 4.350 -0.000 0.000 0.296 45 T C 0.138 174.779 174.700 -0.098 0.000 0.928 45 T CA -0.217 61.814 62.100 -0.116 0.000 1.045 45 T CB -0.077 68.739 68.868 -0.085 0.000 0.902 45 T HN 0.363 nan 8.240 nan 0.000 0.500 46 I N 4.598 125.103 120.570 -0.109 0.000 2.441 46 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 46 I C 0.750 176.828 176.117 -0.065 0.000 1.049 46 I CA -0.481 60.762 61.300 -0.095 0.000 1.381 46 I CB 0.600 38.522 38.000 -0.130 0.000 1.409 46 I HN 0.529 nan 8.210 nan 0.000 0.523 47 N N 5.730 124.401 118.700 -0.048 0.000 2.425 47 N HA 0.541 5.281 4.740 -0.000 0.000 0.268 47 N C -0.331 175.169 175.510 -0.017 0.000 0.991 47 N CA 0.276 53.304 53.050 -0.036 0.000 0.931 47 N CB 1.676 40.135 38.487 -0.046 0.000 1.130 47 N HN 0.905 nan 8.380 nan 0.000 0.493 48 G N 1.317 110.111 108.800 -0.011 0.000 2.434 48 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.671 48 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.671 48 G C -1.430 173.469 174.900 -0.001 0.000 1.280 48 G CA -0.465 44.638 45.100 0.005 0.000 0.975 48 G HN 0.650 nan 8.290 nan 0.000 0.510 49 S N -0.722 114.983 115.700 0.009 0.000 2.422 49 S HA 0.558 5.028 4.470 -0.000 0.000 0.308 49 S C 0.439 175.039 174.600 0.000 0.000 1.097 49 S CA -0.308 57.894 58.200 0.003 0.000 1.099 49 S CB 0.805 64.012 63.200 0.012 0.000 0.976 49 S HN 1.364 nan 8.310 nan 0.000 0.471 50 V N 5.413 125.316 119.914 -0.018 0.000 2.521 50 V HA 0.634 4.754 4.120 -0.000 0.000 0.286 50 V C 1.083 177.146 176.094 -0.052 0.000 1.034 50 V CA 0.766 63.047 62.300 -0.032 0.000 1.045 50 V CB 0.243 32.040 31.823 -0.044 0.000 0.974 50 V HN 1.064 nan 8.190 nan 0.000 0.480 51 G N 3.833 112.589 108.800 -0.074 0.000 2.411 51 G HA2 0.436 4.396 3.960 -0.000 0.000 0.295 51 G HA3 0.436 4.396 3.960 -0.000 0.000 0.295 51 G C -1.129 173.714 174.900 -0.094 0.000 1.542 51 G CA -1.007 44.021 45.100 -0.120 0.000 0.814 51 G HN 0.292 nan 8.290 nan 0.000 0.557 52 F N 1.305 121.271 119.950 0.027 0.000 2.612 52 F HA 0.339 4.866 4.527 -0.000 0.000 0.389 52 F C 1.750 177.574 175.800 0.041 0.000 1.055 52 F CA 2.038 60.052 58.000 0.024 0.000 1.232 52 F CB 0.838 39.861 39.000 0.037 0.000 1.044 52 F HN 1.451 nan 8.300 nan 0.000 0.560 53 G N 1.970 110.900 108.800 0.217 0.000 2.176 53 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.253 53 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.253 53 G C 0.080 175.050 174.900 0.116 0.000 0.979 53 G CA -0.289 44.902 45.100 0.151 0.000 0.641 53 G HN 0.592 nan 8.290 nan 0.000 0.530 54 N N 0.688 119.448 118.700 0.101 0.000 2.508 54 N HA 0.563 5.303 4.740 -0.000 0.000 0.285 54 N C -0.045 175.527 175.510 0.103 0.000 1.144 54 N CA -0.131 52.971 53.050 0.087 0.000 0.978 54 N CB 0.897 39.421 38.487 0.062 0.000 1.180 54 N HN 0.319 nan 8.380 nan 0.000 0.484 55 K N 0.506 120.970 120.400 0.108 0.000 2.185 55 K HA 0.571 4.891 4.320 -0.000 0.000 0.269 55 K C -0.949 175.729 176.600 0.129 0.000 0.987 55 K CA -0.716 55.654 56.287 0.138 0.000 0.865 55 K CB 2.035 34.618 32.500 0.139 0.000 1.090 55 K HN 0.250 nan 8.250 nan 0.000 0.450 56 V N 1.193 121.207 119.914 0.166 0.000 3.040 56 V HA 0.696 4.816 4.120 -0.000 0.000 0.312 56 V C -1.216 174.979 176.094 0.168 0.000 1.115 56 V CA -0.313 62.064 62.300 0.128 0.000 0.998 56 V CB 2.242 34.113 31.823 0.081 0.000 1.042 56 V HN 1.002 nan 8.190 nan 0.000 0.433 57 S N 2.709 118.438 115.700 0.049 0.000 2.685 57 S HA 0.890 5.360 4.470 -0.000 0.000 0.282 57 S C -0.883 173.678 174.600 -0.064 0.000 1.159 57 S CA -0.579 57.562 58.200 -0.098 0.000 0.833 57 S CB 2.215 65.122 63.200 -0.487 0.000 1.151 57 S HN 1.075 nan 8.310 nan 0.000 0.485 58 T N 1.245 115.726 114.554 -0.122 0.000 3.041 58 T HA 0.435 4.785 4.350 -0.000 0.000 0.321 58 T C -1.701 172.933 174.700 -0.110 0.000 1.184 58 T CA -0.608 61.455 62.100 -0.062 0.000 1.050 58 T CB 1.801 70.700 68.868 0.052 0.000 1.159 58 T HN 0.681 nan 8.240 nan 0.000 0.469 59 Q N 3.036 122.787 119.800 -0.082 0.000 2.372 59 Q HA 0.336 4.676 4.340 -0.000 0.000 0.259 59 Q C -0.322 175.658 176.000 -0.033 0.000 0.993 59 Q CA -0.835 54.928 55.803 -0.066 0.000 0.854 59 Q CB 0.608 29.314 28.738 -0.054 0.000 1.231 59 Q HN 0.529 nan 8.270 nan 0.000 0.462 60 I N 3.441 123.997 120.570 -0.024 0.000 2.821 60 I HA -0.096 4.074 4.170 -0.000 0.000 0.294 60 I C 0.843 176.985 176.117 0.040 0.000 1.210 60 I CA 0.737 62.046 61.300 0.016 0.000 1.430 60 I CB -0.210 37.780 38.000 -0.017 0.000 1.356 60 I HN 0.557 nan 8.210 nan 0.000 0.563 61 S N 7.318 123.064 115.700 0.078 0.000 2.565 61 S HA 0.366 4.836 4.470 -0.000 0.000 0.274 61 S C 0.380 175.008 174.600 0.046 0.000 1.309 61 S CA -0.895 57.323 58.200 0.031 0.000 1.043 61 S CB 0.957 64.146 63.200 -0.019 0.000 0.939 61 S HN 0.518 nan 8.310 nan 0.000 0.504 62 R N 2.448 122.939 120.500 -0.014 0.000 3.710 62 R HA 0.201 4.541 4.340 -0.000 0.000 0.201 62 R C 0.293 176.512 176.300 -0.136 0.000 1.641 62 R CA -0.271 55.808 56.100 -0.035 0.000 1.390 62 R CB -0.494 29.786 30.300 -0.034 0.000 1.341 62 R HN 0.635 nan 8.270 nan 0.000 0.728 63 N N 0.199 118.692 118.700 -0.346 0.000 2.368 63 N HA -0.017 4.723 4.740 -0.000 0.000 0.178 63 N C 1.005 176.258 175.510 -0.429 0.000 1.021 63 N CA 0.627 53.414 53.050 -0.438 0.000 0.875 63 N CB 0.385 38.444 38.487 -0.714 0.000 1.020 63 N HN 0.377 nan 8.380 nan 0.000 0.433 64 G N 0.096 108.512 108.800 -0.641 0.000 2.667 64 G HA2 0.265 4.225 3.960 -0.000 0.000 0.310 64 G HA3 0.265 4.225 3.960 -0.000 0.000 0.310 64 G C -0.013 174.726 174.900 -0.269 0.000 1.259 64 G CA -0.330 44.373 45.100 -0.662 0.000 1.019 64 G HN -0.118 nan 8.290 nan 0.000 0.496 65 D N -0.909 119.291 120.400 -0.333 0.000 2.162 65 D HA 0.039 4.679 4.640 -0.000 0.000 0.205 65 D C 0.939 177.090 176.300 -0.248 0.000 0.964 65 D CA 1.008 54.874 54.000 -0.223 0.000 0.847 65 D CB 0.281 40.955 40.800 -0.210 0.000 0.988 65 D HN 0.117 nan 8.370 nan 0.000 0.480 66 L N 0.400 121.463 121.223 -0.267 0.000 2.309 66 L HA 0.551 4.891 4.340 -0.000 0.000 0.261 66 L C -0.339 176.388 176.870 -0.238 0.000 1.021 66 L CA -1.193 53.480 54.840 -0.279 0.000 0.823 66 L CB 2.602 44.461 42.059 -0.333 0.000 1.366 66 L HN -0.135 nan 8.230 nan 0.000 0.423 67 I N -2.233 118.183 120.570 -0.258 0.000 2.647 67 I HA 0.688 4.858 4.170 -0.000 0.000 0.295 67 I C 0.001 176.090 176.117 -0.047 0.000 1.078 67 I CA -0.290 60.841 61.300 -0.282 0.000 1.048 67 I CB 2.177 39.934 38.000 -0.406 0.000 1.239 67 I HN 0.768 nan 8.210 nan 0.000 0.421 68 T N -0.046 114.493 114.554 -0.025 0.000 3.257 68 T HA 0.257 4.607 4.350 -0.000 0.000 0.176 68 T C 0.258 174.932 174.700 -0.044 0.000 0.892 68 T CA -0.132 61.988 62.100 0.033 0.000 1.147 68 T CB -0.403 68.445 68.868 -0.033 0.000 1.840 68 T HN 0.583 nan 8.240 nan 0.000 0.375 69 D N 1.357 121.716 120.400 -0.069 0.000 2.399 69 D HA 0.460 5.100 4.640 -0.000 0.000 0.241 69 D C -0.466 175.814 176.300 -0.033 0.000 1.133 69 D CA 0.282 54.234 54.000 -0.081 0.000 0.890 69 D CB 1.038 41.813 40.800 -0.043 0.000 1.201 69 D HN 0.429 nan 8.370 nan 0.000 0.432 70 I N 1.348 121.905 120.570 -0.022 0.000 2.548 70 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 70 I C -0.720 175.454 176.117 0.094 0.000 1.103 70 I CA -0.795 60.544 61.300 0.065 0.000 1.049 70 I CB 2.209 40.270 38.000 0.102 0.000 1.232 70 I HN -0.068 nan 8.210 nan 0.000 0.429 71 V N 6.712 126.716 119.914 0.150 0.000 2.555 71 V HA 0.462 4.582 4.120 -0.000 0.000 0.302 71 V C -0.226 175.952 176.094 0.141 0.000 1.038 71 V CA -0.757 61.635 62.300 0.153 0.000 0.887 71 V CB 2.442 34.362 31.823 0.162 0.000 0.991 71 V HN 0.373 nan 8.190 nan 0.000 0.434 72 V N 4.095 124.040 119.914 0.052 0.000 2.347 72 V HA 0.392 4.512 4.120 -0.000 0.000 0.280 72 V C 0.034 175.940 176.094 -0.312 0.000 1.021 72 V CA -0.603 61.588 62.300 -0.182 0.000 0.847 72 V CB 1.362 33.012 31.823 -0.288 0.000 0.990 72 V HN 0.905 nan 8.190 nan 0.000 0.444 73 E N 4.255 124.241 120.200 -0.357 0.000 2.216 73 E HA 0.598 4.948 4.350 -0.000 0.000 0.279 73 E C -1.329 174.948 176.600 -0.538 0.000 0.997 73 E CA -0.203 55.944 56.400 -0.422 0.000 0.817 73 E CB 1.699 31.222 29.700 -0.296 0.000 1.096 73 E HN 0.536 nan 8.360 nan 0.000 0.393 74 F N 0.991 120.844 119.950 -0.161 0.000 2.588 74 F HA 0.454 4.981 4.527 -0.000 0.000 0.314 74 F C -0.501 175.284 175.800 -0.024 0.000 1.069 74 F CA -1.119 56.840 58.000 -0.068 0.000 0.931 74 F CB 1.846 40.833 39.000 -0.023 0.000 1.260 74 F HN 0.112 nan 8.300 nan 0.000 0.465 75 V N 4.390 124.446 119.914 0.238 0.000 2.443 75 V HA 0.518 4.638 4.120 -0.000 0.000 0.293 75 V C -0.564 175.670 176.094 0.233 0.000 1.021 75 V CA -0.554 61.833 62.300 0.144 0.000 0.848 75 V CB 1.540 33.390 31.823 0.046 0.000 0.998 75 V HN 0.529 nan 8.190 nan 0.000 0.424 76 L N 3.131 124.586 121.223 0.386 0.000 2.283 76 L HA 0.817 5.157 4.340 -0.000 0.000 0.259 76 L C -0.225 176.996 176.870 0.585 0.000 1.027 76 L CA -0.628 54.475 54.840 0.440 0.000 0.828 76 L CB 2.715 45.032 42.059 0.429 0.000 1.380 76 L HN 0.444 nan 8.230 nan 0.000 0.425 77 T N 0.118 114.947 114.554 0.459 0.000 2.841 77 T HA 0.325 4.675 4.350 -0.000 0.000 0.285 77 T C -0.551 174.179 174.700 0.050 0.000 0.991 77 T CA -0.826 61.444 62.100 0.283 0.000 0.966 77 T CB 1.619 70.569 68.868 0.136 0.000 0.962 77 T HN 0.360 nan 8.240 nan 0.000 0.438 78 K N 1.225 121.401 120.400 -0.374 0.000 2.436 78 K HA 0.343 4.663 4.320 -0.000 0.000 0.275 78 K C 1.141 177.568 176.600 -0.288 0.000 0.999 78 K CA -0.154 55.756 56.287 -0.629 0.000 0.980 78 K CB 0.480 32.410 32.500 -0.950 0.000 0.919 78 K HN 0.763 nan 8.250 nan 0.000 0.484 79 G N 1.389 110.053 108.800 -0.227 0.000 3.453 79 G HA2 0.317 4.277 3.960 -0.000 0.000 0.263 79 G HA3 0.317 4.277 3.960 -0.000 0.000 0.263 79 G C 0.183 174.995 174.900 -0.148 0.000 1.060 79 G CA 0.017 45.025 45.100 -0.152 0.000 0.793 79 G HN 0.708 nan 8.290 nan 0.000 0.532 80 G N -0.503 108.188 108.800 -0.181 0.000 2.687 80 G HA2 0.456 4.416 3.960 -0.000 0.000 0.291 80 G HA3 0.456 4.416 3.960 -0.000 0.000 0.291 80 G C -0.678 174.134 174.900 -0.147 0.000 1.420 80 G CA -0.662 44.356 45.100 -0.137 0.000 0.796 80 G HN 0.003 nan 8.290 nan 0.000 0.485 81 N N -0.638 118.007 118.700 -0.092 0.000 2.483 81 N HA 0.324 5.064 4.740 -0.000 0.000 0.278 81 N C 0.944 176.420 175.510 -0.057 0.000 1.355 81 N CA 0.308 53.310 53.050 -0.078 0.000 0.896 81 N CB -0.434 38.027 38.487 -0.043 0.000 1.100 81 N HN 0.674 nan 8.380 nan 0.000 0.460 82 G N -1.972 106.818 108.800 -0.017 0.000 2.432 82 G HA2 0.392 4.352 3.960 -0.000 0.000 0.257 82 G HA3 0.392 4.352 3.960 -0.000 0.000 0.257 82 G C 0.755 175.686 174.900 0.052 0.000 1.238 82 G CA 0.216 45.327 45.100 0.018 0.000 0.838 82 G HN 0.745 nan 8.290 nan 0.000 0.547 83 G N 1.097 109.948 108.800 0.086 0.000 2.198 83 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 83 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 83 G C 0.845 175.849 174.900 0.173 0.000 1.025 83 G CA 0.847 46.023 45.100 0.126 0.000 0.769 83 G HN 0.992 nan 8.290 nan 0.000 0.507 84 T N -0.438 114.191 114.554 0.126 0.000 3.023 84 T HA 0.328 4.678 4.350 -0.000 0.000 0.253 84 T C 0.991 175.717 174.700 0.043 0.000 1.038 84 T CA 1.155 63.306 62.100 0.085 0.000 0.962 84 T CB 0.701 69.555 68.868 -0.022 0.000 1.018 84 T HN 0.380 nan 8.240 nan 0.000 0.521 85 T N 0.928 115.574 114.554 0.153 0.000 2.932 85 T HA 0.603 4.953 4.350 -0.000 0.000 0.289 85 T C -2.077 172.825 174.700 0.336 0.000 1.039 85 T CA -0.475 61.750 62.100 0.207 0.000 1.024 85 T CB 1.542 70.597 68.868 0.312 0.000 1.090 85 T HN 0.139 nan 8.240 nan 0.000 0.496 86 Y N 2.420 122.805 120.300 0.142 0.000 2.347 86 Y HA 0.302 4.852 4.550 -0.000 0.000 0.339 86 Y C -1.155 174.919 175.900 0.291 0.000 1.152 86 Y CA -1.224 57.002 58.100 0.209 0.000 1.321 86 Y CB -0.169 38.480 38.460 0.316 0.000 1.137 86 Y HN 0.827 nan 8.280 nan 0.000 0.486 87 Y N 4.476 124.638 120.300 -0.231 0.000 3.078 87 Y HA -0.264 4.286 4.550 -0.000 0.000 0.202 87 Y C -1.912 173.834 175.900 -0.258 0.000 1.322 87 Y CA 0.453 58.401 58.100 -0.255 0.000 1.118 87 Y CB -0.967 37.359 38.460 -0.223 0.000 1.343 87 Y HN 0.478 nan 8.280 nan 0.000 0.499 88 P HA -0.262 nan 4.420 nan 0.000 0.215 88 P C 1.615 178.642 177.300 -0.456 0.000 1.157 88 P CA 2.511 65.416 63.100 -0.325 0.000 0.868 88 P CB 0.122 31.630 31.700 -0.320 0.000 0.788 89 A N -0.231 122.215 122.820 -0.624 0.000 1.933 89 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 89 A C 2.325 179.796 177.584 -0.188 0.000 1.175 89 A CA 1.759 53.505 52.037 -0.485 0.000 0.628 89 A CB -1.263 17.510 19.000 -0.378 0.000 0.814 89 A HN 0.210 nan 8.150 nan 0.000 0.444 90 E N -0.365 119.786 120.200 -0.083 0.000 2.072 90 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 90 E C 2.030 178.600 176.600 -0.050 0.000 0.985 90 E CA 1.242 57.697 56.400 0.092 0.000 0.801 90 E CB -0.174 29.688 29.700 0.269 0.000 0.750 90 E HN 0.752 nan 8.360 nan 0.000 0.452 91 E N 0.556 120.586 120.200 -0.283 0.000 2.106 91 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 91 E C 2.341 178.765 176.600 -0.294 0.000 0.984 91 E CA 0.474 56.546 56.400 -0.547 0.000 0.806 91 E CB -0.077 29.020 29.700 -1.005 0.000 0.750 91 E HN 0.327 nan 8.360 nan 0.000 0.458 92 L N 0.807 121.848 121.223 -0.304 0.000 2.043 92 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 92 L C 1.351 178.127 176.870 -0.158 0.000 1.075 92 L CA 0.880 55.534 54.840 -0.310 0.000 0.752 92 L CB -0.051 41.565 42.059 -0.738 0.000 0.891 92 L HN 0.249 nan 8.230 nan 0.000 0.432 93 L N 0.691 121.871 121.223 -0.072 0.000 2.376 93 L HA -0.057 4.283 4.340 -0.000 0.000 0.250 93 L C 1.500 178.358 176.870 -0.020 0.000 1.335 93 L CA 0.011 54.892 54.840 0.070 0.000 1.214 93 L CB 0.315 42.452 42.059 0.130 0.000 1.395 93 L HN 0.374 nan 8.230 nan 0.000 0.424 94 Q N 1.542 121.364 119.800 0.037 0.000 2.152 94 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 94 Q C -0.440 175.609 176.000 0.081 0.000 0.985 94 Q CA 2.043 57.893 55.803 0.078 0.000 0.863 94 Q CB 0.289 29.097 28.738 0.117 0.000 0.904 94 Q HN 0.865 nan 8.270 nan 0.000 0.422 95 D N -3.457 116.963 120.400 0.033 0.000 2.720 95 D HA 0.422 5.062 4.640 -0.000 0.000 0.239 95 D C -1.484 174.784 176.300 -0.053 0.000 1.218 95 D CA -0.827 53.123 54.000 -0.083 0.000 0.748 95 D CB 1.351 42.066 40.800 -0.142 0.000 1.387 95 D HN -0.079 nan 8.370 nan 0.000 0.438 96 V N -0.082 119.773 119.914 -0.097 0.000 2.709 96 V HA 0.661 4.780 4.120 -0.000 0.000 0.308 96 V C -0.748 175.342 176.094 -0.007 0.000 1.062 96 V CA -0.732 61.515 62.300 -0.089 0.000 0.901 96 V CB 1.672 33.521 31.823 0.043 0.000 1.003 96 V HN 0.762 nan 8.190 nan 0.000 0.425 97 E N 3.350 123.500 120.200 -0.084 0.000 2.199 97 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 97 E C -1.611 174.891 176.600 -0.164 0.000 0.882 97 E CA -0.643 55.703 56.400 -0.089 0.000 0.759 97 E CB 2.095 31.741 29.700 -0.090 0.000 1.148 97 E HN 0.711 nan 8.360 nan 0.000 0.412 98 L N 4.423 125.412 121.223 -0.389 0.000 2.275 98 L HA 0.434 4.774 4.340 -0.000 0.000 0.288 98 L C -0.678 176.067 176.870 -0.208 0.000 1.046 98 L CA -0.183 54.384 54.840 -0.455 0.000 0.805 98 L CB 1.043 42.559 42.059 -0.905 0.000 1.193 98 L HN 0.700 nan 8.230 nan 0.000 0.426 99 E N 5.913 126.059 120.200 -0.091 0.000 2.256 99 E HA 0.472 4.822 4.350 -0.000 0.000 0.268 99 E C -1.611 174.962 176.600 -0.045 0.000 0.877 99 E CA -0.658 55.715 56.400 -0.045 0.000 0.757 99 E CB 2.065 31.781 29.700 0.027 0.000 1.183 99 E HN 0.584 nan 8.360 nan 0.000 0.418 100 I N 3.247 123.788 120.570 -0.049 0.000 2.436 100 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 100 I C 0.760 176.813 176.117 -0.108 0.000 1.010 100 I CA -0.594 60.687 61.300 -0.031 0.000 1.098 100 I CB 1.937 39.955 38.000 0.031 0.000 1.266 100 I HN 0.932 nan 8.210 nan 0.000 0.434 101 G N 4.299 112.931 108.800 -0.280 0.000 2.341 101 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.292 101 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.292 101 G C 1.035 175.689 174.900 -0.409 0.000 1.021 101 G CA 0.791 45.410 45.100 -0.803 0.000 0.905 101 G HN 1.499 nan 8.290 nan 0.000 0.508 102 G N -1.777 106.908 108.800 -0.191 0.000 2.267 102 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 102 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 102 G C 0.424 175.266 174.900 -0.097 0.000 0.998 102 G CA 1.226 46.258 45.100 -0.113 0.000 0.620 102 G HN 1.322 nan 8.290 nan 0.000 0.529 103 Q N 0.555 120.299 119.800 -0.095 0.000 2.257 103 Q HA 0.448 4.788 4.340 -0.000 0.000 0.255 103 Q C 0.410 176.378 176.000 -0.054 0.000 0.920 103 Q CA -0.730 55.040 55.803 -0.055 0.000 0.927 103 Q CB 0.769 29.497 28.738 -0.017 0.000 1.229 103 Q HN 0.493 nan 8.270 nan 0.000 0.433 104 R N 4.647 125.112 120.500 -0.057 0.000 2.316 104 R HA 0.091 4.431 4.340 -0.000 0.000 0.314 104 R C 0.534 176.814 176.300 -0.033 0.000 1.069 104 R CA -0.179 55.882 56.100 -0.065 0.000 0.959 104 R CB 0.395 30.653 30.300 -0.070 0.000 0.987 104 R HN 0.633 nan 8.270 nan 0.000 0.446 105 I N 1.849 122.393 120.570 -0.044 0.000 2.731 105 I HA 0.182 4.352 4.170 -0.000 0.000 0.260 105 I C 0.340 176.467 176.117 0.017 0.000 1.138 105 I CA 0.742 62.041 61.300 -0.002 0.000 1.461 105 I CB -0.790 37.239 38.000 0.048 0.000 1.128 105 I HN 0.666 nan 8.210 nan 0.000 0.438 106 D N -0.170 120.202 120.400 -0.047 0.000 2.653 106 D HA 0.345 4.985 4.640 -0.000 0.000 0.258 106 D C -1.212 175.074 176.300 -0.022 0.000 1.252 106 D CA -0.532 53.480 54.000 0.020 0.000 0.777 106 D CB 2.124 43.004 40.800 0.133 0.000 1.339 106 D HN -0.095 nan 8.370 nan 0.000 0.422 107 K N 1.440 121.898 120.400 0.097 0.000 2.565 107 K HA 0.427 4.747 4.320 -0.000 0.000 0.251 107 K C -1.489 175.173 176.600 0.103 0.000 0.956 107 K CA -0.606 55.704 56.287 0.039 0.000 0.809 107 K CB 0.881 33.359 32.500 -0.037 0.000 1.267 107 K HN 0.403 nan 8.250 nan 0.000 0.438 108 H N 1.480 120.552 119.070 0.003 0.000 2.615 108 H HA 0.495 5.051 4.556 -0.000 0.000 0.346 108 H C -0.891 174.223 175.328 -0.356 0.000 1.200 108 H CA -0.289 55.776 56.048 0.027 0.000 1.264 108 H CB 0.826 30.815 29.762 0.379 0.000 1.699 108 H HN 0.457 nan 8.280 nan 0.000 0.567 109 Y N -0.729 119.757 120.300 0.309 0.000 2.634 109 Y HA 0.170 4.720 4.550 -0.000 0.000 0.340 109 Y C 1.513 177.416 175.900 0.005 0.000 1.058 109 Y CA -0.954 57.220 58.100 0.124 0.000 1.081 109 Y CB 0.708 39.248 38.460 0.134 0.000 1.295 109 Y HN 0.421 nan 8.280 nan 0.000 0.487 110 N N 0.779 119.598 118.700 0.198 0.000 2.011 110 N HA -0.238 4.502 4.740 -0.000 0.000 0.199 110 N C 1.258 176.938 175.510 0.283 0.000 1.047 110 N CA 2.280 55.450 53.050 0.199 0.000 0.863 110 N CB -0.376 38.318 38.487 0.344 0.000 1.056 110 N HN 0.883 nan 8.380 nan 0.000 0.427 111 D N -0.036 120.534 120.400 0.283 0.000 2.221 111 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 111 D C 1.827 178.217 176.300 0.149 0.000 0.982 111 D CA 0.698 54.829 54.000 0.219 0.000 0.857 111 D CB -0.117 40.840 40.800 0.262 0.000 0.934 111 D HN 0.459 nan 8.370 nan 0.000 0.475 112 W N -0.159 121.108 121.300 -0.056 0.000 2.378 112 W HA -0.236 4.424 4.660 -0.000 0.000 0.313 112 W C 1.310 177.834 176.519 0.008 0.000 1.197 112 W CA 0.416 57.575 57.345 -0.310 0.000 1.304 112 W CB -0.436 28.933 29.460 -0.152 0.000 1.148 112 W HN -0.091 nan 8.180 nan 0.000 0.494 113 F N 1.386 121.125 119.950 -0.352 0.000 2.120 113 F HA -0.224 4.303 4.527 0.000 0.000 0.300 113 F C 2.681 178.279 175.800 -0.337 0.000 1.095 113 F CA 2.075 59.839 58.000 -0.393 0.000 1.249 113 F CB -1.519 37.435 39.000 -0.077 0.000 0.995 113 F HN -0.088 nan 8.300 nan 0.000 0.480 114 R N 0.018 120.511 120.500 -0.012 0.000 2.066 114 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 114 R C 2.174 178.368 176.300 -0.176 0.000 1.131 114 R CA 2.126 58.154 56.100 -0.121 0.000 0.955 114 R CB -0.964 29.270 30.300 -0.109 0.000 0.851 114 R HN 0.163 nan 8.270 nan 0.000 0.432 115 T N -0.188 114.235 114.554 -0.218 0.000 2.746 115 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 115 T C 1.334 175.746 174.700 -0.480 0.000 1.039 115 T CA 1.541 63.460 62.100 -0.302 0.000 1.142 115 T CB -0.511 68.194 68.868 -0.272 0.000 0.866 115 T HN 0.359 nan 8.240 nan 0.000 0.444 116 Y N 1.887 121.616 120.300 -0.951 0.000 2.224 116 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 116 Y C 2.172 177.767 175.900 -0.508 0.000 1.146 116 Y CA 1.636 59.201 58.100 -0.892 0.000 1.182 116 Y CB -0.352 37.287 38.460 -1.368 0.000 0.983 116 Y HN 0.197 nan 8.280 nan 0.000 0.524 117 D N -0.299 119.813 120.400 -0.480 0.000 2.123 117 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 117 D C 2.197 178.268 176.300 -0.382 0.000 0.976 117 D CA 1.339 55.053 54.000 -0.477 0.000 0.831 117 D CB -0.289 40.240 40.800 -0.451 0.000 0.974 117 D HN 0.389 nan 8.370 nan 0.000 0.469 118 A N -0.271 122.356 122.820 -0.321 0.000 1.969 118 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 118 A C 2.245 179.625 177.584 -0.340 0.000 1.169 118 A CA 0.920 52.810 52.037 -0.244 0.000 0.635 118 A CB -0.481 18.418 19.000 -0.168 0.000 0.810 118 A HN 0.358 nan 8.150 nan 0.000 0.445 119 L N -2.997 117.927 121.223 -0.497 0.000 2.189 119 L HA 0.148 4.488 4.340 -0.000 0.000 0.199 119 L C 1.643 177.926 176.870 -0.979 0.000 1.074 119 L CA 0.711 55.099 54.840 -0.754 0.000 0.783 119 L CB -0.062 41.440 42.059 -0.928 0.000 0.955 119 L HN 0.401 nan 8.230 nan 0.000 0.460 120 F N -0.805 118.718 119.950 -0.711 0.000 2.695 120 F HA 0.236 4.763 4.527 -0.000 0.000 0.303 120 F C 1.048 176.476 175.800 -0.619 0.000 1.091 120 F CA -0.309 57.257 58.000 -0.725 0.000 1.300 120 F CB 0.265 38.686 39.000 -0.965 0.000 1.071 120 F HN -0.131 nan 8.300 nan 0.000 0.578 121 R N 1.978 122.219 120.500 -0.430 0.000 2.589 121 R HA 0.728 5.067 4.340 -0.000 0.000 0.293 121 R C -0.675 175.520 176.300 -0.175 0.000 0.963 121 R CA -0.512 55.426 56.100 -0.271 0.000 0.905 121 R CB 1.272 31.391 30.300 -0.301 0.000 1.144 121 R HN 0.195 nan 8.270 nan 0.000 0.459 122 M N 1.011 120.553 119.600 -0.097 0.000 2.721 122 M HA 0.486 4.966 4.480 -0.000 0.000 0.271 122 M C -0.646 175.650 176.300 -0.007 0.000 1.259 122 M CA -0.768 54.498 55.300 -0.057 0.000 0.835 122 M CB 2.066 34.613 32.600 -0.087 0.000 1.689 122 M HN 0.829 nan 8.290 nan 0.000 0.470 123 N N -0.023 118.682 118.700 0.009 0.000 1.191 123 N HA -0.242 4.498 4.740 -0.000 0.000 0.120 123 N C -0.269 175.290 175.510 0.081 0.000 0.826 123 N CA 1.553 54.619 53.050 0.027 0.000 0.876 123 N CB -1.002 37.487 38.487 0.002 0.000 1.050 123 N HN 0.884 nan 8.380 nan 0.000 0.603 124 D N -0.062 120.385 120.400 0.078 0.000 2.218 124 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 124 D C 1.355 177.742 176.300 0.145 0.000 0.976 124 D CA 1.291 55.373 54.000 0.137 0.000 0.853 124 D CB -0.590 40.267 40.800 0.095 0.000 0.939 124 D HN 0.402 nan 8.370 nan 0.000 0.481 125 D N 0.395 120.846 120.400 0.086 0.000 2.117 125 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 125 D C 1.988 178.352 176.300 0.106 0.000 0.987 125 D CA 0.847 54.888 54.000 0.069 0.000 0.829 125 D CB 0.108 40.924 40.800 0.028 0.000 0.961 125 D HN 0.019 nan 8.370 nan 0.000 0.460 126 R N -1.321 119.246 120.500 0.112 0.000 2.115 126 R HA -0.169 4.171 4.340 -0.000 0.000 0.226 126 R C 2.025 178.480 176.300 0.259 0.000 1.100 126 R CA 0.886 57.078 56.100 0.153 0.000 0.980 126 R CB -0.382 29.977 30.300 0.099 0.000 0.875 126 R HN 0.317 nan 8.270 nan 0.000 0.445 127 Y N 1.239 121.608 120.300 0.115 0.000 2.286 127 Y HA -0.085 4.465 4.550 -0.000 0.000 0.293 127 Y C 1.878 177.832 175.900 0.090 0.000 1.124 127 Y CA 1.645 59.807 58.100 0.102 0.000 1.178 127 Y CB -0.568 37.931 38.460 0.064 0.000 1.010 127 Y HN 0.133 nan 8.280 nan 0.000 0.536 128 N N -1.085 117.574 118.700 -0.068 0.000 2.120 128 N HA -0.294 4.446 4.740 -0.000 0.000 0.188 128 N C 1.962 177.411 175.510 -0.102 0.000 1.024 128 N CA 1.279 54.234 53.050 -0.158 0.000 0.852 128 N CB -0.501 37.971 38.487 -0.026 0.000 1.003 128 N HN 0.486 nan 8.380 nan 0.000 0.424 129 Y N 1.879 122.140 120.300 -0.066 0.000 2.165 129 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 129 Y C 2.557 178.466 175.900 0.015 0.000 1.155 129 Y CA 1.605 59.706 58.100 0.002 0.000 1.164 129 Y CB -0.343 38.149 38.460 0.053 0.000 0.978 129 Y HN -0.030 nan 8.280 nan 0.000 0.513 130 R N 0.052 120.515 120.500 -0.061 0.000 2.148 130 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 130 R C 2.317 178.406 176.300 -0.353 0.000 1.088 130 R CA 0.972 56.919 56.100 -0.255 0.000 0.985 130 R CB -0.071 30.120 30.300 -0.182 0.000 0.880 130 R HN 0.341 nan 8.270 nan 0.000 0.451 131 R N -0.340 119.933 120.500 -0.379 0.000 2.075 131 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 131 R C 2.202 178.382 176.300 -0.200 0.000 1.126 131 R CA 1.747 57.654 56.100 -0.322 0.000 0.963 131 R CB -0.152 29.922 30.300 -0.376 0.000 0.858 131 R HN 0.238 nan 8.270 nan 0.000 0.435 132 M N -0.665 118.826 119.600 -0.182 0.000 2.394 132 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 132 M C 1.432 177.732 176.300 -0.000 0.000 1.073 132 M CA 1.323 56.591 55.300 -0.054 0.000 1.111 132 M CB 0.263 32.829 32.600 -0.056 0.000 1.401 132 M HN 0.024 nan 8.290 nan 0.000 0.448 133 T N -0.080 114.353 114.554 -0.201 0.000 3.022 133 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 133 T C -0.103 174.398 174.700 -0.331 0.000 1.060 133 T CA 0.336 62.291 62.100 -0.240 0.000 1.013 133 T CB 0.093 68.716 68.868 -0.408 0.000 0.982 133 T HN 0.508 nan 8.240 nan 0.000 0.508 134 D N -1.536 118.739 120.400 -0.209 0.000 2.792 134 D HA 0.020 4.660 4.640 -0.000 0.000 0.335 134 D C -1.360 174.906 176.300 -0.056 0.000 1.353 134 D CA -0.861 52.992 54.000 -0.244 0.000 0.839 134 D CB 0.048 40.656 40.800 -0.319 0.000 1.396 134 D HN -0.002 nan 8.370 nan 0.000 0.479 135 W N 0.834 122.227 121.300 0.156 0.000 2.304 135 W HA 0.381 5.041 4.660 0.000 0.000 0.313 135 W C 1.108 177.646 176.519 0.032 0.000 1.323 135 W CA -0.542 56.865 57.345 0.103 0.000 1.223 135 W CB 1.264 30.787 29.460 0.104 0.000 1.237 135 W HN 0.350 nan 8.180 nan 0.000 0.535 136 V N 0.170 120.205 119.914 0.201 0.000 3.346 136 V HA 0.230 4.350 4.120 -0.000 0.000 0.309 136 V C 0.327 176.523 176.094 0.170 0.000 1.457 136 V CA 0.103 62.497 62.300 0.156 0.000 1.069 136 V CB -0.147 31.739 31.823 0.105 0.000 0.944 136 V HN 0.555 nan 8.190 nan 0.000 0.449 137 N N 2.615 121.419 118.700 0.172 0.000 2.338 137 N HA 0.203 4.942 4.740 -0.000 0.000 0.251 137 N C -0.309 175.264 175.510 0.105 0.000 1.199 137 N CA 0.183 53.311 53.050 0.131 0.000 0.879 137 N CB 0.278 38.835 38.487 0.116 0.000 1.159 137 N HN 0.552 nan 8.380 nan 0.000 0.514 138 N N 1.366 120.131 118.700 0.107 0.000 2.754 138 N HA -0.132 4.608 4.740 -0.000 0.000 0.248 138 N C -0.473 175.056 175.510 0.031 0.000 1.093 138 N CA 0.815 53.905 53.050 0.066 0.000 0.699 138 N CB -1.105 37.412 38.487 0.051 0.000 1.016 138 N HN 0.480 nan 8.380 nan 0.000 0.552 139 E N 0.620 120.837 120.200 0.029 0.000 2.418 139 E HA 0.225 4.574 4.350 -0.000 0.000 0.261 139 E C 1.086 177.607 176.600 -0.131 0.000 1.070 139 E CA 0.138 56.504 56.400 -0.057 0.000 0.931 139 E CB 1.148 30.771 29.700 -0.128 0.000 0.954 139 E HN 0.348 nan 8.360 nan 0.000 0.439 140 L N 0.207 121.349 121.223 -0.135 0.000 2.347 140 L HA 0.353 4.693 4.340 -0.000 0.000 0.268 140 L C 0.311 177.071 176.870 -0.184 0.000 1.019 140 L CA -1.515 53.247 54.840 -0.131 0.000 0.806 140 L CB 0.794 42.807 42.059 -0.076 0.000 1.339 140 L HN 0.207 nan 8.230 nan 0.000 0.463 141 V N 1.039 120.864 119.914 -0.149 0.000 2.953 141 V HA 0.035 4.155 4.120 -0.000 0.000 0.304 141 V C 1.314 177.329 176.094 -0.133 0.000 1.138 141 V CA 1.795 64.004 62.300 -0.151 0.000 1.266 141 V CB 0.248 32.009 31.823 -0.102 0.000 0.923 141 V HN 1.064 nan 8.190 nan 0.000 0.505 142 G N 2.751 111.472 108.800 -0.131 0.000 2.212 142 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.266 142 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.266 142 G C 0.440 175.300 174.900 -0.066 0.000 0.978 142 G CA 0.264 45.316 45.100 -0.080 0.000 0.632 142 G HN 1.770 nan 8.290 nan 0.000 0.537 143 A N 0.209 122.950 122.820 -0.131 0.000 2.454 143 A HA 0.598 4.918 4.320 -0.000 0.000 0.260 143 A C 0.464 178.104 177.584 0.094 0.000 1.106 143 A CA 0.900 52.901 52.037 -0.061 0.000 0.780 143 A CB 0.442 19.339 19.000 -0.171 0.000 1.044 143 A HN 0.705 nan 8.150 nan 0.000 0.498 144 Q N 2.078 121.992 119.800 0.189 0.000 2.307 144 Q HA 0.531 4.871 4.340 -0.000 0.000 0.262 144 Q C -0.747 175.402 176.000 0.248 0.000 0.961 144 Q CA -0.493 55.471 55.803 0.269 0.000 0.882 144 Q CB 0.978 29.798 28.738 0.137 0.000 1.264 144 Q HN 0.745 nan 8.270 nan 0.000 0.446 145 K N 2.500 123.024 120.400 0.206 0.000 2.443 145 K HA 0.440 4.760 4.320 -0.000 0.000 0.251 145 K C -1.077 175.093 176.600 -0.716 0.000 0.972 145 K CA -0.881 55.201 56.287 -0.342 0.000 0.833 145 K CB 1.579 33.610 32.500 -0.782 0.000 1.317 145 K HN 0.431 nan 8.250 nan 0.000 0.441 146 R N 2.978 123.040 120.500 -0.729 0.000 2.207 146 R HA 0.299 4.639 4.340 -0.000 0.000 0.334 146 R C -1.213 174.538 176.300 -0.916 0.000 1.013 146 R CA -0.207 55.510 56.100 -0.639 0.000 0.858 146 R CB -0.152 29.927 30.300 -0.368 0.000 1.094 146 R HN 0.428 nan 8.270 nan 0.000 0.457 147 F N 3.344 123.052 119.950 -0.403 0.000 2.458 147 F HA 0.400 4.926 4.527 -0.000 0.000 0.330 147 F C -0.203 175.308 175.800 -0.482 0.000 1.082 147 F CA -0.758 57.043 58.000 -0.331 0.000 0.995 147 F CB 1.248 40.123 39.000 -0.208 0.000 1.170 147 F HN 0.319 nan 8.300 nan 0.000 0.478 148 Y N 1.388 121.729 120.300 0.068 0.000 2.363 148 Y HA 0.527 5.077 4.550 -0.000 0.000 0.325 148 Y C -0.741 175.186 175.900 0.045 0.000 0.984 148 Y CA -1.176 56.930 58.100 0.010 0.000 1.248 148 Y CB 1.469 39.892 38.460 -0.061 0.000 1.116 148 Y HN 0.203 nan 8.280 nan 0.000 0.470 149 V N 6.204 126.240 119.914 0.204 0.000 2.333 149 V HA 0.377 4.497 4.120 -0.000 0.000 0.274 149 V C -2.207 174.027 176.094 0.233 0.000 1.028 149 V CA -2.008 60.441 62.300 0.249 0.000 0.851 149 V CB 1.182 33.205 31.823 0.334 0.000 1.000 149 V HN 0.495 nan 8.190 nan 0.000 0.456 150 P HA 0.355 nan 4.420 nan 0.000 0.286 150 P C -0.545 176.754 177.300 -0.001 0.000 1.269 150 P CA -0.324 62.831 63.100 0.091 0.000 0.787 150 P CB 1.428 33.162 31.700 0.057 0.000 0.920 151 L N 4.325 125.527 121.223 -0.035 0.000 2.418 151 L HA 0.344 4.684 4.340 -0.000 0.000 0.265 151 L C 1.501 178.121 176.870 -0.417 0.000 1.143 151 L CA -0.521 54.218 54.840 -0.169 0.000 0.809 151 L CB 0.457 42.472 42.059 -0.074 0.000 1.124 151 L HN 0.401 nan 8.230 nan 0.000 0.456 152 I N -1.810 118.391 120.570 -0.616 0.000 3.283 152 I HA 0.309 4.479 4.170 -0.000 0.000 0.342 152 I C -0.362 175.541 176.117 -0.356 0.000 1.510 152 I CA -0.400 60.555 61.300 -0.576 0.000 1.006 152 I CB -0.172 37.286 38.000 -0.902 0.000 1.596 152 I HN 0.239 nan 8.210 nan 0.000 0.509 153 F N 1.025 120.817 119.950 -0.264 0.000 2.375 153 F HA 0.277 4.804 4.527 -0.000 0.000 0.313 153 F C 1.689 177.275 175.800 -0.357 0.000 1.176 153 F CA -0.866 56.961 58.000 -0.288 0.000 1.142 153 F CB 0.504 39.190 39.000 -0.522 0.000 1.275 153 F HN 0.227 nan 8.300 nan 0.000 0.544 154 F N 0.370 120.425 119.950 0.174 0.000 2.115 154 F HA -0.301 4.226 4.527 -0.000 0.000 0.300 154 F C 1.722 177.582 175.800 0.101 0.000 1.092 154 F CA 1.195 59.271 58.000 0.127 0.000 1.245 154 F CB -1.754 37.353 39.000 0.178 0.000 0.995 154 F HN 0.334 nan 8.300 nan 0.000 0.481 155 F N -0.202 119.363 119.950 -0.642 0.000 2.780 155 F HA 0.306 4.833 4.527 -0.000 0.000 0.299 155 F C 1.487 177.165 175.800 -0.203 0.000 1.146 155 F CA 0.101 57.893 58.000 -0.347 0.000 1.428 155 F CB -1.005 37.662 39.000 -0.554 0.000 1.115 155 F HN -0.093 nan 8.300 nan 0.000 0.583 156 N N 0.765 119.007 118.700 -0.764 0.000 2.405 156 N HA -0.043 4.697 4.740 -0.000 0.000 0.175 156 N C 1.340 176.693 175.510 -0.261 0.000 1.051 156 N CA 0.687 53.418 53.050 -0.533 0.000 0.899 156 N CB -0.173 37.969 38.487 -0.575 0.000 1.000 156 N HN 0.576 nan 8.380 nan 0.000 0.451 157 Q N -0.230 119.460 119.800 -0.184 0.000 2.408 157 Q HA 0.146 4.486 4.340 -0.000 0.000 0.205 157 Q C -0.298 175.688 176.000 -0.022 0.000 0.919 157 Q CA 0.620 56.369 55.803 -0.090 0.000 0.932 157 Q CB 0.751 29.453 28.738 -0.061 0.000 1.058 157 Q HN 0.058 nan 8.270 nan 0.000 0.517 158 T N 1.038 115.595 114.554 0.004 0.000 3.295 158 T HA 0.141 4.491 4.350 -0.000 0.000 0.331 158 T C -2.421 172.305 174.700 0.043 0.000 1.142 158 T CA -0.952 61.171 62.100 0.038 0.000 1.078 158 T CB 2.185 71.107 68.868 0.090 0.000 1.150 158 T HN -0.155 nan 8.240 nan 0.000 0.465 159 P HA -0.010 nan 4.420 nan 0.000 0.225 159 P C 1.515 178.836 177.300 0.035 0.000 1.148 159 P CA 0.636 63.727 63.100 -0.015 0.000 0.779 159 P CB -0.077 31.575 31.700 -0.080 0.000 0.780 160 G N -0.014 108.831 108.800 0.074 0.000 2.598 160 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 160 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 160 G C 1.241 176.282 174.900 0.235 0.000 1.131 160 G CA 0.152 45.326 45.100 0.125 0.000 0.785 160 G HN 0.280 nan 8.290 nan 0.000 0.539 161 L N 0.787 122.164 121.223 0.256 0.000 3.066 161 L HA 0.418 4.758 4.340 -0.000 0.000 0.265 161 L C 1.207 178.234 176.870 0.261 0.000 1.232 161 L CA -0.733 54.338 54.840 0.385 0.000 1.031 161 L CB 0.507 42.832 42.059 0.444 0.000 1.379 161 L HN 0.118 nan 8.230 nan 0.000 0.563 162 A N 1.340 124.258 122.820 0.164 0.000 2.566 162 A HA 0.025 4.345 4.320 -0.000 0.000 0.245 162 A C 0.269 177.793 177.584 -0.101 0.000 1.056 162 A CA 0.072 52.132 52.037 0.040 0.000 0.757 162 A CB 0.113 19.093 19.000 -0.034 0.000 0.979 162 A HN 0.265 nan 8.150 nan 0.000 0.508 163 L N 6.360 127.453 121.223 -0.217 0.000 2.456 163 L HA 0.236 4.576 4.340 -0.000 0.000 0.277 163 L C -1.918 174.758 176.870 -0.324 0.000 1.124 163 L CA -1.442 53.157 54.840 -0.402 0.000 0.880 163 L CB 1.086 42.692 42.059 -0.755 0.000 1.192 163 L HN 0.457 nan 8.230 nan 0.000 0.463 164 P HA 0.076 nan 4.420 nan 0.000 0.268 164 P C 0.831 178.051 177.300 -0.133 0.000 1.541 164 P CA -0.236 62.752 63.100 -0.187 0.000 1.093 164 P CB 0.543 32.267 31.700 0.039 0.000 1.551 165 L N 3.684 124.809 121.223 -0.162 0.000 2.191 165 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 165 L C 2.362 179.185 176.870 -0.079 0.000 1.103 165 L CA 1.309 56.082 54.840 -0.112 0.000 0.769 165 L CB -0.642 41.365 42.059 -0.085 0.000 0.908 165 L HN 0.312 nan 8.230 nan 0.000 0.438 166 I N -3.111 117.414 120.570 -0.074 0.000 3.001 166 I HA -0.026 4.144 4.170 -0.000 0.000 0.268 166 I C 2.050 178.168 176.117 0.001 0.000 1.267 166 I CA 0.996 62.273 61.300 -0.039 0.000 1.472 166 I CB -0.410 37.578 38.000 -0.019 0.000 1.089 166 I HN 0.056 nan 8.210 nan 0.000 0.468 167 A N 1.042 123.888 122.820 0.043 0.000 2.348 167 A HA 0.484 4.804 4.320 -0.000 0.000 0.224 167 A C 1.411 179.000 177.584 0.009 0.000 1.227 167 A CA -0.074 52.024 52.037 0.103 0.000 0.885 167 A CB -0.093 19.093 19.000 0.309 0.000 0.933 167 A HN 0.470 nan 8.150 nan 0.000 0.506 168 L N -0.149 121.044 121.223 -0.050 0.000 3.209 168 L HA 0.186 4.526 4.340 -0.000 0.000 0.279 168 L C 1.609 178.408 176.870 -0.118 0.000 1.301 168 L CA -0.025 54.776 54.840 -0.065 0.000 1.004 168 L CB 0.340 42.384 42.059 -0.024 0.000 1.402 168 L HN 0.554 nan 8.230 nan 0.000 0.577 169 Q N 0.293 119.928 119.800 -0.275 0.000 2.389 169 Q HA -0.203 4.137 4.340 -0.000 0.000 0.213 169 Q C 0.751 176.481 176.000 -0.449 0.000 0.989 169 Q CA 2.052 57.591 55.803 -0.440 0.000 0.891 169 Q CB 0.094 28.413 28.738 -0.699 0.000 0.923 169 Q HN 0.678 nan 8.270 nan 0.000 0.455 170 Y N -2.498 117.840 120.300 0.064 0.000 2.453 170 Y HA 0.227 4.777 4.550 -0.000 0.000 0.247 170 Y C -0.103 175.936 175.900 0.231 0.000 1.124 170 Y CA -0.852 57.313 58.100 0.109 0.000 1.243 170 Y CB 0.788 39.303 38.460 0.092 0.000 1.213 170 Y HN 0.056 nan 8.280 nan 0.000 0.523 171 H N 1.667 120.785 119.070 0.080 0.000 2.504 171 H HA 0.249 4.805 4.556 0.000 0.000 0.322 171 H C -0.574 174.755 175.328 0.002 0.000 1.055 171 H CA -1.602 54.471 56.048 0.042 0.000 1.231 171 H CB 0.775 30.551 29.762 0.023 0.000 1.417 171 H HN 0.218 nan 8.280 nan 0.000 0.472 172 E N 1.847 122.066 120.200 0.031 0.000 2.289 172 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 172 E C -0.862 175.723 176.600 -0.025 0.000 1.032 172 E CA -0.757 55.643 56.400 -0.000 0.000 0.854 172 E CB 0.883 30.578 29.700 -0.009 0.000 1.046 172 E HN 0.129 nan 8.360 nan 0.000 0.409 173 V N 4.205 124.095 119.914 -0.040 0.000 2.383 173 V HA 0.315 4.434 4.120 -0.000 0.000 0.275 173 V C 0.170 176.224 176.094 -0.067 0.000 1.036 173 V CA -0.544 61.710 62.300 -0.077 0.000 0.889 173 V CB 0.459 32.199 31.823 -0.138 0.000 0.985 173 V HN 0.641 nan 8.190 nan 0.000 0.459 174 K N 4.555 124.925 120.400 -0.050 0.000 2.395 174 K HA 0.818 5.138 4.320 -0.000 0.000 0.245 174 K C -1.476 175.074 176.600 -0.084 0.000 1.017 174 K CA -0.928 55.315 56.287 -0.074 0.000 0.852 174 K CB 2.769 35.245 32.500 -0.040 0.000 1.311 174 K HN 0.402 nan 8.250 nan 0.000 0.452 175 L N 1.919 123.013 121.223 -0.215 0.000 2.436 175 L HA 0.444 4.784 4.340 -0.000 0.000 0.268 175 L C -1.668 174.927 176.870 -0.458 0.000 0.974 175 L CA -0.873 53.811 54.840 -0.259 0.000 0.826 175 L CB 1.456 43.371 42.059 -0.240 0.000 1.291 175 L HN 0.553 nan 8.230 nan 0.000 0.406 176 Y N 2.671 122.741 120.300 -0.384 0.000 2.338 176 Y HA 0.515 5.065 4.550 -0.000 0.000 0.328 176 Y C -0.471 175.242 175.900 -0.312 0.000 0.965 176 Y CA -0.701 57.267 58.100 -0.219 0.000 1.208 176 Y CB 1.150 39.545 38.460 -0.107 0.000 1.132 176 Y HN 0.228 nan 8.280 nan 0.000 0.469 177 F N 0.861 120.885 119.950 0.124 0.000 2.432 177 F HA 0.682 5.209 4.527 -0.000 0.000 0.329 177 F C 0.309 176.173 175.800 0.107 0.000 1.076 177 F CA -0.846 57.218 58.000 0.108 0.000 1.018 177 F CB 1.811 40.864 39.000 0.088 0.000 1.201 177 F HN 0.175 nan 8.300 nan 0.000 0.489 178 T N 3.779 118.499 114.554 0.277 0.000 2.930 178 T HA 0.447 4.797 4.350 -0.000 0.000 0.313 178 T C -0.455 174.350 174.700 0.174 0.000 1.019 178 T CA -0.590 61.627 62.100 0.196 0.000 1.004 178 T CB 0.423 69.386 68.868 0.157 0.000 0.987 178 T HN 0.304 nan 8.240 nan 0.000 0.456 179 L N 2.512 123.824 121.223 0.149 0.000 2.349 179 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 179 L C 1.130 178.062 176.870 0.103 0.000 1.115 179 L CA -0.954 53.944 54.840 0.097 0.000 0.820 179 L CB 0.467 42.550 42.059 0.040 0.000 1.135 179 L HN 0.649 nan 8.230 nan 0.000 0.445 180 A N 2.052 124.919 122.820 0.078 0.000 2.483 180 A HA 0.196 4.516 4.320 -0.000 0.000 0.238 180 A C 1.132 178.828 177.584 0.187 0.000 1.070 180 A CA 0.248 52.339 52.037 0.090 0.000 0.770 180 A CB 0.305 19.313 19.000 0.014 0.000 1.008 180 A HN 0.907 nan 8.150 nan 0.000 0.497 181 S N 0.611 116.381 115.700 0.116 0.000 2.486 181 S HA 0.111 4.581 4.470 -0.000 0.000 0.220 181 S C 0.399 174.981 174.600 -0.030 0.000 1.011 181 S CA 0.339 58.613 58.200 0.123 0.000 0.921 181 S CB 0.004 63.249 63.200 0.076 0.000 0.785 181 S HN 0.730 nan 8.310 nan 0.000 0.517 182 Q N 1.172 120.899 119.800 -0.123 0.000 2.350 182 Q HA 0.536 4.876 4.340 -0.000 0.000 0.255 182 Q C -1.905 173.988 176.000 -0.179 0.000 0.951 182 Q CA -0.428 55.218 55.803 -0.262 0.000 0.751 182 Q CB 2.486 30.850 28.738 -0.623 0.000 1.296 182 Q HN 0.122 nan 8.270 nan 0.000 0.453 183 V N 2.390 122.206 119.914 -0.163 0.000 2.384 183 V HA 0.175 4.295 4.120 -0.000 0.000 0.287 183 V C 0.007 176.047 176.094 -0.090 0.000 1.020 183 V CA -0.771 61.460 62.300 -0.116 0.000 0.850 183 V CB 1.570 33.360 31.823 -0.055 0.000 0.987 183 V HN 0.678 nan 8.190 nan 0.000 0.436 184 Q N 3.686 123.429 119.800 -0.095 0.000 2.300 184 Q HA 0.390 4.730 4.340 -0.000 0.000 0.280 184 Q C 1.139 177.056 176.000 -0.138 0.000 1.033 184 Q CA 1.442 57.157 55.803 -0.146 0.000 0.903 184 Q CB 0.480 29.093 28.738 -0.208 0.000 1.195 184 Q HN 1.251 nan 8.270 nan 0.000 0.386 185 G N 1.964 110.661 108.800 -0.173 0.000 2.179 185 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 185 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 185 G C 0.245 175.090 174.900 -0.092 0.000 0.977 185 G CA 0.281 45.297 45.100 -0.141 0.000 0.641 185 G HN 0.612 nan 8.290 nan 0.000 0.533 186 V N -0.712 119.170 119.914 -0.053 0.000 3.914 186 V HA 0.239 4.359 4.120 -0.000 0.000 0.187 186 V C 1.957 178.007 176.094 -0.074 0.000 1.258 186 V CA 1.339 63.641 62.300 0.004 0.000 1.298 186 V CB -0.168 31.729 31.823 0.123 0.000 1.453 186 V HN 0.215 nan 8.190 nan 0.000 0.553 187 N N -1.265 117.334 118.700 -0.169 0.000 2.148 187 N HA 0.039 4.779 4.740 -0.000 0.000 0.186 187 N C 0.017 175.364 175.510 -0.272 0.000 1.031 187 N CA 1.276 54.114 53.050 -0.353 0.000 0.848 187 N CB 0.089 38.200 38.487 -0.626 0.000 1.005 187 N HN 0.460 nan 8.380 nan 0.000 0.427 188 Y N -1.459 118.695 120.300 -0.245 0.000 2.693 188 Y HA 0.469 5.019 4.550 -0.000 0.000 0.331 188 Y C -0.530 175.266 175.900 -0.173 0.000 1.092 188 Y CA -1.326 56.666 58.100 -0.180 0.000 1.131 188 Y CB 1.030 39.395 38.460 -0.158 0.000 1.318 188 Y HN -0.123 nan 8.280 nan 0.000 0.510 189 N N 0.355 119.080 118.700 0.041 0.000 2.727 189 N HA 0.460 5.200 4.740 -0.000 0.000 0.252 189 N C -0.172 175.342 175.510 0.008 0.000 1.283 189 N CA 0.639 53.656 53.050 -0.055 0.000 0.782 189 N CB 0.497 38.948 38.487 -0.061 0.000 1.199 189 N HN 0.986 nan 8.380 nan 0.000 0.520 190 G N 1.540 110.337 108.800 -0.004 0.000 2.520 190 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 190 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 190 G C 0.680 175.617 174.900 0.062 0.000 1.161 190 G CA 0.302 45.439 45.100 0.062 0.000 0.946 190 G HN 1.005 nan 8.290 nan 0.000 0.565 191 S N -0.425 115.319 115.700 0.074 0.000 2.548 191 S HA 0.476 4.946 4.470 -0.000 0.000 0.215 191 S C 0.919 175.646 174.600 0.211 0.000 0.976 191 S CA 1.138 59.381 58.200 0.073 0.000 0.908 191 S CB 0.368 63.593 63.200 0.042 0.000 0.781 191 S HN 1.146 nan 8.310 nan 0.000 0.519 192 S N 2.557 118.369 115.700 0.187 0.000 2.465 192 S HA 0.671 5.141 4.470 -0.000 0.000 0.279 192 S C 0.280 174.911 174.600 0.053 0.000 1.201 192 S CA -0.669 57.607 58.200 0.127 0.000 1.053 192 S CB 1.013 64.237 63.200 0.038 0.000 0.953 192 S HN 0.632 nan 8.310 nan 0.000 0.488 193 A N 3.917 126.618 122.820 -0.199 0.000 2.440 193 A HA 0.423 4.743 4.320 -0.000 0.000 0.251 193 A C 0.118 177.454 177.584 -0.413 0.000 1.089 193 A CA -0.371 51.181 52.037 -0.808 0.000 0.779 193 A CB -0.157 18.334 19.000 -0.848 0.000 1.022 193 A HN 0.858 nan 8.150 nan 0.000 0.492 194 I N 2.515 122.836 120.570 -0.415 0.000 2.337 194 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 194 I C 1.046 177.042 176.117 -0.203 0.000 1.046 194 I CA -0.058 61.101 61.300 -0.235 0.000 1.324 194 I CB 0.971 38.856 38.000 -0.191 0.000 1.409 194 I HN 0.754 nan 8.210 nan 0.000 0.494 195 A N 4.755 127.489 122.820 -0.143 0.000 2.483 195 A HA 0.451 4.771 4.320 -0.000 0.000 0.238 195 A C 1.370 178.906 177.584 -0.080 0.000 1.070 195 A CA 0.579 52.552 52.037 -0.106 0.000 0.770 195 A CB -0.023 18.931 19.000 -0.077 0.000 1.008 195 A HN 1.183 nan 8.150 nan 0.000 0.497 196 G N 0.497 109.261 108.800 -0.060 0.000 2.245 196 G HA2 0.083 4.043 3.960 -0.000 0.000 0.264 196 G HA3 0.083 4.043 3.960 -0.000 0.000 0.264 196 G C 0.785 175.671 174.900 -0.023 0.000 0.985 196 G CA 0.650 45.729 45.100 -0.035 0.000 0.625 196 G HN 2.389 nan 8.290 nan 0.000 0.536 197 A N 0.560 123.353 122.820 -0.046 0.000 2.572 197 A HA 0.523 4.843 4.320 -0.000 0.000 0.256 197 A C 1.180 178.801 177.584 0.061 0.000 1.041 197 A CA 1.471 53.497 52.037 -0.018 0.000 0.790 197 A CB -0.226 18.718 19.000 -0.094 0.000 0.947 197 A HN 2.186 nan 8.150 nan 0.000 0.518 198 A N 3.661 126.538 122.820 0.096 0.000 2.386 198 A HA 0.523 4.843 4.320 -0.000 0.000 0.248 198 A C 0.758 178.467 177.584 0.207 0.000 1.082 198 A CA -0.384 51.724 52.037 0.118 0.000 0.789 198 A CB 0.188 19.244 19.000 0.093 0.000 1.025 198 A HN 1.074 nan 8.150 nan 0.000 0.490 199 Q N 1.760 121.642 119.800 0.138 0.000 2.368 199 Q HA 0.459 4.799 4.340 -0.000 0.000 0.237 199 Q C -2.675 173.272 176.000 -0.088 0.000 0.987 199 Q CA -1.855 53.980 55.803 0.053 0.000 0.896 199 Q CB -0.266 28.477 28.738 0.009 0.000 1.241 199 Q HN 0.506 nan 8.270 nan 0.000 0.485 200 P HA 0.194 nan 4.420 nan 0.000 0.284 200 P C -0.782 176.476 177.300 -0.070 0.000 1.253 200 P CA -0.315 62.645 63.100 -0.233 0.000 0.800 200 P CB 0.991 32.387 31.700 -0.508 0.000 0.961 201 T N 3.208 117.785 114.554 0.038 0.000 2.837 201 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 201 T C -0.033 174.712 174.700 0.074 0.000 0.984 201 T CA -0.253 61.868 62.100 0.034 0.000 1.049 201 T CB 0.350 69.233 68.868 0.026 0.000 0.947 201 T HN 0.428 nan 8.240 nan 0.000 0.472 202 M N 2.599 122.181 119.600 -0.031 0.000 2.518 202 M HA 0.665 5.145 4.480 -0.000 0.000 0.300 202 M C -1.233 174.936 176.300 -0.218 0.000 1.175 202 M CA -0.496 54.685 55.300 -0.199 0.000 0.890 202 M CB 2.041 34.517 32.600 -0.208 0.000 1.710 202 M HN 0.593 nan 8.290 nan 0.000 0.453 203 S N 2.534 118.059 115.700 -0.291 0.000 2.546 203 S HA 0.745 5.215 4.470 -0.000 0.000 0.272 203 S C -1.889 172.615 174.600 -0.160 0.000 1.140 203 S CA -0.581 57.530 58.200 -0.149 0.000 0.920 203 S CB 1.826 65.073 63.200 0.079 0.000 1.083 203 S HN 0.560 nan 8.310 nan 0.000 0.476 204 V N 4.450 124.240 119.914 -0.208 0.000 2.409 204 V HA 0.602 4.722 4.120 -0.000 0.000 0.291 204 V C -1.197 174.797 176.094 -0.167 0.000 1.020 204 V CA -0.482 61.739 62.300 -0.133 0.000 0.848 204 V CB 1.186 32.921 31.823 -0.147 0.000 0.990 204 V HN 0.883 nan 8.190 nan 0.000 0.430 205 W N 3.211 124.502 121.300 -0.015 0.000 2.632 205 W HA 0.760 5.420 4.660 -0.000 0.000 0.328 205 W C -0.705 175.835 176.519 0.035 0.000 1.044 205 W CA -0.673 56.690 57.345 0.031 0.000 1.225 205 W CB 2.053 31.536 29.460 0.038 0.000 1.396 205 W HN 0.294 nan 8.180 nan 0.000 0.499 206 V N 3.169 123.217 119.914 0.223 0.000 2.540 206 V HA 0.280 4.400 4.120 -0.000 0.000 0.302 206 V C -0.750 175.348 176.094 0.007 0.000 1.035 206 V CA -0.966 61.355 62.300 0.034 0.000 0.873 206 V CB 1.721 33.446 31.823 -0.163 0.000 0.992 206 V HN 0.321 nan 8.190 nan 0.000 0.428 207 D N 3.464 123.828 120.400 -0.060 0.000 2.295 207 D HA 0.437 5.077 4.640 -0.000 0.000 0.248 207 D C -0.847 175.352 176.300 -0.168 0.000 1.154 207 D CA 0.320 54.326 54.000 0.009 0.000 0.857 207 D CB 0.754 41.573 40.800 0.033 0.000 1.117 207 D HN 0.405 nan 8.370 nan 0.000 0.468 208 Y N 1.377 121.685 120.300 0.014 0.000 2.387 208 Y HA 0.461 5.011 4.550 -0.000 0.000 0.336 208 Y C 0.089 175.882 175.900 -0.178 0.000 1.067 208 Y CA -1.101 56.900 58.100 -0.164 0.000 1.114 208 Y CB 1.051 39.303 38.460 -0.348 0.000 1.208 208 Y HN 0.160 nan 8.280 nan 0.000 0.458 209 I N 3.721 124.224 120.570 -0.112 0.000 2.336 209 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 209 I C -1.010 174.997 176.117 -0.184 0.000 0.991 209 I CA -0.641 60.643 61.300 -0.027 0.000 1.227 209 I CB 0.251 38.201 38.000 -0.082 0.000 1.366 209 I HN 0.308 nan 8.210 nan 0.000 0.466 210 F N 6.481 126.518 119.950 0.145 0.000 2.385 210 F HA 0.521 5.048 4.527 -0.000 0.000 0.360 210 F C 0.156 176.031 175.800 0.124 0.000 1.122 210 F CA -0.474 57.585 58.000 0.098 0.000 1.090 210 F CB 0.633 39.683 39.000 0.083 0.000 1.150 210 F HN 0.169 nan 8.300 nan 0.000 0.472 211 L N 1.677 123.013 121.223 0.188 0.000 2.400 211 L HA 0.439 4.779 4.340 -0.000 0.000 0.264 211 L C -0.147 176.829 176.870 0.178 0.000 1.061 211 L CA -0.952 53.994 54.840 0.177 0.000 0.799 211 L CB 1.118 43.224 42.059 0.079 0.000 1.240 211 L HN 0.465 nan 8.230 nan 0.000 0.461 212 D N -0.956 119.548 120.400 0.173 0.000 2.312 212 D HA 0.117 4.757 4.640 -0.000 0.000 0.248 212 D C 0.947 177.321 176.300 0.122 0.000 1.086 212 D CA -0.179 53.903 54.000 0.137 0.000 0.948 212 D CB 1.516 42.394 40.800 0.130 0.000 1.162 212 D HN 0.517 nan 8.370 nan 0.000 0.446 213 T N 1.157 115.769 114.554 0.097 0.000 2.594 213 T HA -0.316 4.034 4.350 -0.000 0.000 0.266 213 T C 1.564 176.322 174.700 0.095 0.000 1.070 213 T CA 2.051 64.203 62.100 0.086 0.000 1.166 213 T CB -0.447 68.460 68.868 0.065 0.000 0.862 213 T HN 0.476 nan 8.240 nan 0.000 0.436 214 Q N 0.891 120.746 119.800 0.091 0.000 1.998 214 Q HA -0.181 4.159 4.340 -0.000 0.000 0.209 214 Q C 2.163 178.236 176.000 0.121 0.000 1.002 214 Q CA 2.353 58.211 55.803 0.091 0.000 0.858 214 Q CB -0.381 28.407 28.738 0.083 0.000 0.932 214 Q HN 0.686 nan 8.270 nan 0.000 0.416 215 E N -1.014 119.282 120.200 0.160 0.000 2.274 215 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 215 E C 1.843 178.634 176.600 0.318 0.000 0.996 215 E CA 0.402 56.945 56.400 0.238 0.000 0.840 215 E CB 0.098 29.967 29.700 0.282 0.000 0.772 215 E HN 0.262 nan 8.360 nan 0.000 0.491 216 R N -0.528 120.103 120.500 0.219 0.000 2.075 216 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 216 R C 2.315 178.732 176.300 0.194 0.000 1.126 216 R CA 1.711 57.927 56.100 0.194 0.000 0.963 216 R CB -0.300 30.073 30.300 0.122 0.000 0.858 216 R HN 0.094 nan 8.270 nan 0.000 0.435 217 T N 0.800 115.442 114.554 0.146 0.000 2.833 217 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 217 T C 1.713 176.482 174.700 0.115 0.000 1.054 217 T CA 1.160 63.326 62.100 0.111 0.000 1.135 217 T CB -0.052 68.863 68.868 0.078 0.000 0.869 217 T HN 0.290 nan 8.240 nan 0.000 0.466 218 R N -0.188 120.393 120.500 0.135 0.000 2.075 218 R HA 0.129 4.469 4.340 -0.000 0.000 0.226 218 R C 2.004 178.383 176.300 0.132 0.000 1.114 218 R CA 0.901 57.051 56.100 0.083 0.000 0.972 218 R CB -0.416 29.908 30.300 0.040 0.000 0.869 218 R HN 0.335 nan 8.270 nan 0.000 0.437 219 F N 0.745 120.799 119.950 0.173 0.000 2.451 219 F HA -0.061 4.466 4.527 0.000 0.000 0.299 219 F C 2.241 178.202 175.800 0.267 0.000 1.101 219 F CA 1.030 59.200 58.000 0.283 0.000 1.436 219 F CB 0.148 39.213 39.000 0.108 0.000 1.074 219 F HN 0.078 nan 8.300 nan 0.000 0.553 220 A N -1.623 121.373 122.820 0.293 0.000 2.197 220 A HA 0.044 4.364 4.320 -0.000 0.000 0.210 220 A C 2.037 179.670 177.584 0.081 0.000 1.180 220 A CA 0.240 52.374 52.037 0.161 0.000 0.846 220 A CB 0.005 19.071 19.000 0.109 0.000 0.884 220 A HN 0.183 nan 8.150 nan 0.000 0.487 221 Q N -0.217 119.617 119.800 0.057 0.000 2.178 221 Q HA 0.235 4.575 4.340 -0.000 0.000 0.195 221 Q C 0.523 176.480 176.000 -0.070 0.000 0.960 221 Q CA 0.539 56.342 55.803 -0.000 0.000 0.843 221 Q CB -0.144 28.596 28.738 0.005 0.000 0.927 221 Q HN 0.599 nan 8.270 nan 0.000 0.487 222 L N 1.977 123.115 121.223 -0.142 0.000 2.439 222 L HA 0.311 4.651 4.340 -0.000 0.000 0.261 222 L C -2.107 174.452 176.870 -0.518 0.000 1.153 222 L CA -1.949 52.726 54.840 -0.274 0.000 0.808 222 L CB -0.234 41.664 42.059 -0.268 0.000 1.126 222 L HN -0.072 nan 8.230 nan 0.000 0.460 223 P HA 0.246 nan 4.420 nan 0.000 0.278 223 P C -1.162 175.831 177.300 -0.512 0.000 1.238 223 P CA -0.108 62.776 63.100 -0.359 0.000 0.794 223 P CB 0.656 32.249 31.700 -0.178 0.000 0.955 224 H N 0.918 119.970 119.070 -0.029 0.000 2.637 224 H HA 0.433 4.989 4.556 -0.000 0.000 0.363 224 H C -0.454 174.843 175.328 -0.051 0.000 1.131 224 H CA -0.406 55.599 56.048 -0.071 0.000 1.183 224 H CB 2.020 31.834 29.762 0.086 0.000 1.637 224 H HN 0.438 nan 8.280 nan 0.000 0.531 225 E N 2.225 122.388 120.200 -0.062 0.000 2.241 225 E HA 0.265 4.615 4.350 -0.000 0.000 0.263 225 E C -1.179 175.305 176.600 -0.193 0.000 0.882 225 E CA -0.529 55.846 56.400 -0.042 0.000 0.769 225 E CB 1.933 31.603 29.700 -0.049 0.000 1.185 225 E HN 0.388 nan 8.360 nan 0.000 0.415 226 Y N 1.526 121.831 120.300 0.008 0.000 2.377 226 Y HA 0.271 4.821 4.550 0.000 0.000 0.339 226 Y C -0.092 175.788 175.900 -0.033 0.000 1.011 226 Y CA -0.953 57.144 58.100 -0.005 0.000 1.093 226 Y CB 1.398 39.845 38.460 -0.021 0.000 1.201 226 Y HN 0.343 nan 8.280 nan 0.000 0.455 227 L N 6.970 128.266 121.223 0.122 0.000 2.270 227 L HA 0.391 4.731 4.340 -0.000 0.000 0.286 227 L C -0.718 176.239 176.870 0.145 0.000 1.059 227 L CA -0.350 54.551 54.840 0.102 0.000 0.839 227 L CB -0.472 41.618 42.059 0.053 0.000 1.221 227 L HN 0.660 nan 8.230 nan 0.000 0.431 228 I N 2.027 122.619 120.570 0.036 0.000 3.217 228 I HA 0.599 4.769 4.170 -0.000 0.000 0.308 228 I C -0.493 175.644 176.117 0.033 0.000 1.091 228 I CA -0.692 60.572 61.300 -0.059 0.000 1.013 228 I CB 1.815 39.386 38.000 -0.716 0.000 1.250 228 I HN 0.512 nan 8.210 nan 0.000 0.496 229 E N 0.633 120.847 120.200 0.023 0.000 2.281 229 E HA 0.617 4.966 4.350 -0.000 0.000 0.262 229 E C -1.155 175.459 176.600 0.023 0.000 0.933 229 E CA -0.717 55.635 56.400 -0.080 0.000 0.809 229 E CB 2.268 31.874 29.700 -0.158 0.000 1.242 229 E HN 0.538 nan 8.360 nan 0.000 0.418 230 Q N 0.659 120.434 119.800 -0.040 0.000 2.501 230 Q HA 0.470 4.810 4.340 -0.000 0.000 0.288 230 Q C -1.478 174.498 176.000 -0.041 0.000 1.051 230 Q CA -0.884 54.941 55.803 0.038 0.000 0.788 230 Q CB 2.391 31.144 28.738 0.025 0.000 1.469 230 Q HN 0.267 nan 8.270 nan 0.000 0.416 231 L N 1.268 122.505 121.223 0.023 0.000 2.334 231 L HA 0.532 4.872 4.340 -0.000 0.000 0.276 231 L C -1.337 175.545 176.870 0.021 0.000 1.014 231 L CA -0.299 54.465 54.840 -0.127 0.000 0.815 231 L CB 1.805 43.724 42.059 -0.233 0.000 1.268 231 L HN 0.782 nan 8.230 nan 0.000 0.428 232 Q N 3.991 123.780 119.800 -0.017 0.000 2.356 232 Q HA 0.544 4.884 4.340 -0.000 0.000 0.270 232 Q C -1.743 174.447 176.000 0.318 0.000 1.058 232 Q CA -0.481 55.410 55.803 0.147 0.000 0.802 232 Q CB 3.261 32.036 28.738 0.061 0.000 1.303 232 Q HN 0.520 nan 8.270 nan 0.000 0.444 233 F N -0.002 120.045 119.950 0.162 0.000 2.686 233 F HA 0.703 5.230 4.527 -0.000 0.000 0.311 233 F C -1.644 174.124 175.800 -0.053 0.000 1.128 233 F CA -0.319 57.687 58.000 0.010 0.000 0.946 233 F CB 2.330 41.272 39.000 -0.096 0.000 1.336 233 F HN 0.439 nan 8.300 nan 0.000 0.457 234 T N 1.847 115.444 114.554 -1.595 0.000 3.393 234 T HA 0.510 4.860 4.350 -0.000 0.000 0.359 234 T C -0.893 173.038 174.700 -1.282 0.000 1.380 234 T CA -0.380 60.956 62.100 -1.273 0.000 1.132 234 T CB 1.369 69.890 68.868 -0.579 0.000 1.284 234 T HN 0.973 nan 8.240 nan 0.000 0.477 235 G N 1.871 110.135 108.800 -0.893 0.000 2.338 235 G HA2 0.539 4.499 3.960 -0.000 0.000 0.295 235 G HA3 0.539 4.499 3.960 -0.000 0.000 0.295 235 G C -0.265 174.536 174.900 -0.165 0.000 1.132 235 G CA -0.229 44.677 45.100 -0.324 0.000 0.922 235 G HN 0.636 nan 8.290 nan 0.000 0.427 236 S N 0.988 116.635 115.700 -0.088 0.000 2.681 236 S HA 0.487 4.957 4.470 -0.000 0.000 0.299 236 S C -0.460 174.158 174.600 0.031 0.000 1.113 236 S CA -0.739 57.435 58.200 -0.044 0.000 1.013 236 S CB 1.831 64.997 63.200 -0.056 0.000 1.076 236 S HN 0.563 nan 8.310 nan 0.000 0.534 237 E N 2.098 122.321 120.200 0.039 0.000 2.113 237 E HA 0.309 4.659 4.350 -0.000 0.000 0.273 237 E C -0.378 176.280 176.600 0.097 0.000 0.924 237 E CA -0.232 56.208 56.400 0.065 0.000 0.764 237 E CB 1.381 31.102 29.700 0.036 0.000 1.104 237 E HN 0.451 nan 8.360 nan 0.000 0.406 238 T N 1.494 116.131 114.554 0.138 0.000 2.813 238 T HA 0.407 4.757 4.350 -0.000 0.000 0.297 238 T C 0.116 174.780 174.700 -0.061 0.000 1.036 238 T CA -0.223 61.952 62.100 0.124 0.000 1.044 238 T CB 0.718 69.700 68.868 0.190 0.000 0.993 238 T HN 0.456 nan 8.240 nan 0.000 0.535 239 A N 2.116 124.781 122.820 -0.258 0.000 3.300 239 A HA 0.500 4.820 4.320 -0.000 0.000 0.300 239 A C 0.432 177.733 177.584 -0.471 0.000 1.099 239 A CA -0.866 51.029 52.037 -0.237 0.000 0.846 239 A CB 0.027 18.992 19.000 -0.058 0.000 1.255 239 A HN 0.830 nan 8.150 nan 0.000 0.519 240 T N 0.691 114.887 114.554 -0.596 0.000 2.884 240 T HA 0.521 4.871 4.350 -0.000 0.000 0.298 240 T C -2.198 172.381 174.700 -0.202 0.000 0.998 240 T CA -1.567 60.206 62.100 -0.546 0.000 1.124 240 T CB 0.676 69.275 68.868 -0.449 0.000 0.931 240 T HN 0.357 nan 8.240 nan 0.000 0.531 241 P HA 0.169 nan 4.420 nan 0.000 0.269 241 P C 0.718 178.002 177.300 -0.026 0.000 1.263 241 P CA -0.259 62.825 63.100 -0.026 0.000 0.813 241 P CB 0.730 32.444 31.700 0.023 0.000 0.868 242 S N 2.370 118.054 115.700 -0.028 0.000 2.420 242 S HA 0.040 4.510 4.470 -0.000 0.000 0.237 242 S C 1.052 175.646 174.600 -0.009 0.000 1.023 242 S CA 1.440 59.627 58.200 -0.021 0.000 0.991 242 S CB -0.349 62.840 63.200 -0.018 0.000 0.792 242 S HN 0.898 nan 8.310 nan 0.000 0.488 243 A N -1.482 121.336 122.820 -0.003 0.000 2.395 243 A HA 0.461 4.781 4.320 -0.000 0.000 0.297 243 A C 0.759 178.347 177.584 0.006 0.000 0.966 243 A CA -0.172 51.866 52.037 0.003 0.000 0.570 243 A CB -0.849 18.152 19.000 0.001 0.000 1.447 243 A HN 0.284 nan 8.150 nan 0.000 0.511 244 T N -1.195 113.364 114.554 0.007 0.000 8.887 244 T HA -0.209 4.141 4.350 -0.000 0.000 0.391 244 T C 0.580 175.287 174.700 0.011 0.000 1.631 244 T CA 2.861 64.966 62.100 0.008 0.000 2.536 244 T CB -1.469 67.402 68.868 0.005 0.000 2.919 244 T HN 2.210 nan 8.240 nan 0.000 1.260 245 T N 0.165 114.728 114.554 0.014 0.000 2.868 245 T HA 0.498 4.848 4.350 -0.000 0.000 0.306 245 T C -2.016 172.702 174.700 0.030 0.000 1.224 245 T CA -0.738 61.373 62.100 0.019 0.000 1.012 245 T CB 1.868 70.746 68.868 0.017 0.000 1.221 245 T HN 0.165 nan 8.240 nan 0.000 0.499 246 Q N 2.022 121.845 119.800 0.038 0.000 2.368 246 Q HA 0.640 4.980 4.340 -0.000 0.000 0.263 246 Q C -0.193 175.854 176.000 0.079 0.000 1.009 246 Q CA -0.776 55.063 55.803 0.060 0.000 0.818 246 Q CB 1.831 30.595 28.738 0.044 0.000 1.239 246 Q HN 0.800 nan 8.270 nan 0.000 0.464 247 A N 2.366 125.267 122.820 0.134 0.000 2.310 247 A HA 0.650 4.970 4.320 -0.000 0.000 0.260 247 A C 0.156 177.863 177.584 0.205 0.000 1.112 247 A CA -0.012 52.127 52.037 0.170 0.000 0.804 247 A CB 0.598 19.706 19.000 0.179 0.000 1.081 247 A HN 0.766 nan 8.150 nan 0.000 0.499 248 S N -1.208 114.589 115.700 0.162 0.000 2.588 248 S HA 0.699 5.169 4.470 -0.000 0.000 0.269 248 S C -1.074 173.564 174.600 0.064 0.000 1.157 248 S CA -0.779 57.439 58.200 0.030 0.000 0.824 248 S CB 1.309 64.494 63.200 -0.026 0.000 1.126 248 S HN 0.861 nan 8.310 nan 0.000 0.464 249 Q N 0.325 120.115 119.800 -0.018 0.000 2.707 249 Q HA 0.556 4.896 4.340 -0.000 0.000 0.307 249 Q C -1.681 174.285 176.000 -0.057 0.000 0.934 249 Q CA -1.176 54.633 55.803 0.010 0.000 0.753 249 Q CB 1.595 30.389 28.738 0.094 0.000 1.478 249 Q HN 0.714 nan 8.270 nan 0.000 0.458 250 N N 1.080 119.749 118.700 -0.052 0.000 2.710 250 N HA 0.281 5.021 4.740 -0.000 0.000 0.244 250 N C -1.528 173.930 175.510 -0.086 0.000 1.321 250 N CA -0.140 52.859 53.050 -0.085 0.000 0.758 250 N CB 1.030 39.471 38.487 -0.077 0.000 1.284 250 N HN 0.426 nan 8.380 nan 0.000 0.530 251 I N 1.555 122.061 120.570 -0.106 0.000 2.436 251 I HA 0.069 4.239 4.170 -0.000 0.000 0.289 251 I C 1.135 177.170 176.117 -0.137 0.000 1.083 251 I CA -0.187 61.042 61.300 -0.117 0.000 1.372 251 I CB 0.144 38.063 38.000 -0.135 0.000 1.408 251 I HN 0.081 nan 8.210 nan 0.000 0.516 252 R N 7.340 127.762 120.500 -0.129 0.000 2.309 252 R HA 0.286 4.626 4.340 -0.000 0.000 0.331 252 R C -0.880 175.307 176.300 -0.189 0.000 1.116 252 R CA -0.009 56.012 56.100 -0.131 0.000 0.970 252 R CB -0.350 29.883 30.300 -0.111 0.000 1.024 252 R HN 0.573 nan 8.270 nan 0.000 0.472 253 L N 3.646 124.754 121.223 -0.192 0.000 2.456 253 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 253 L C 0.855 177.488 176.870 -0.394 0.000 1.189 253 L CA 0.077 54.698 54.840 -0.366 0.000 0.846 253 L CB 0.429 42.400 42.059 -0.147 0.000 1.111 253 L HN 0.657 nan 8.230 nan 0.000 0.475 254 N N 3.573 121.859 118.700 -0.691 0.000 2.844 254 N HA 0.338 5.078 4.740 -0.000 0.000 0.268 254 N C -1.211 174.040 175.510 -0.431 0.000 1.574 254 N CA -0.157 52.645 53.050 -0.413 0.000 0.838 254 N CB 0.369 38.675 38.487 -0.302 0.000 1.177 254 N HN 0.377 nan 8.380 nan 0.000 0.495 255 F N 0.217 120.161 119.950 -0.012 0.000 2.572 255 F HA 0.539 5.066 4.527 -0.000 0.000 0.342 255 F C 0.677 176.455 175.800 -0.036 0.000 1.064 255 F CA -0.968 56.956 58.000 -0.127 0.000 1.008 255 F CB 1.575 40.284 39.000 -0.486 0.000 1.303 255 F HN 0.078 nan 8.300 nan 0.000 0.492 256 N N -1.374 117.384 118.700 0.097 0.000 2.972 256 N HA 0.365 5.105 4.740 -0.000 0.000 0.262 256 N C -1.421 174.044 175.510 -0.075 0.000 1.478 256 N CA -0.688 52.312 53.050 -0.083 0.000 0.841 256 N CB 1.301 39.519 38.487 -0.449 0.000 1.512 256 N HN 0.624 nan 8.380 nan 0.000 0.548 257 H N -2.265 116.870 119.070 0.108 0.000 4.396 257 H HA -0.111 4.445 4.556 -0.000 0.000 0.255 257 H C -2.713 172.666 175.328 0.085 0.000 0.574 257 H CA 0.105 56.184 56.048 0.051 0.000 0.744 257 H CB -1.982 27.799 29.762 0.033 0.000 0.934 257 H HN 0.394 nan 8.280 nan 0.000 0.417 258 P HA 0.101 nan 4.420 nan 0.000 0.270 258 P C -0.349 177.067 177.300 0.194 0.000 1.242 258 P CA 0.554 63.759 63.100 0.175 0.000 0.768 258 P CB 0.442 32.232 31.700 0.149 0.000 0.820 259 T N 4.021 118.679 114.554 0.174 0.000 2.771 259 T HA 0.196 4.546 4.350 -0.000 0.000 0.281 259 T C 1.208 176.072 174.700 0.273 0.000 0.982 259 T CA -0.640 61.517 62.100 0.094 0.000 0.978 259 T CB 1.397 70.223 68.868 -0.070 0.000 0.930 259 T HN 0.261 nan 8.240 nan 0.000 0.447 260 K N 1.847 122.350 120.400 0.172 0.000 2.116 260 K HA 0.088 4.408 4.320 -0.000 0.000 0.203 260 K C 0.087 176.996 176.600 0.515 0.000 1.052 260 K CA 0.971 57.454 56.287 0.326 0.000 0.952 260 K CB 0.065 32.669 32.500 0.174 0.000 0.729 260 K HN 0.775 nan 8.250 nan 0.000 0.446 261 Y N -2.198 118.325 120.300 0.370 0.000 2.741 261 Y HA 0.486 5.036 4.550 -0.000 0.000 0.339 261 Y C -1.838 174.207 175.900 0.241 0.000 1.226 261 Y CA -1.748 56.490 58.100 0.230 0.000 1.072 261 Y CB 0.852 39.401 38.460 0.148 0.000 1.331 261 Y HN -0.300 nan 8.280 nan 0.000 0.453 262 L N 2.124 123.657 121.223 0.517 0.000 2.362 262 L HA 0.989 5.329 4.340 -0.000 0.000 0.271 262 L C -0.602 176.706 176.870 0.730 0.000 1.002 262 L CA -1.267 53.886 54.840 0.521 0.000 0.818 262 L CB 2.068 44.470 42.059 0.571 0.000 1.298 262 L HN 0.981 nan 8.230 nan 0.000 0.420 263 A N 2.470 125.722 122.820 0.720 0.000 2.422 263 A HA 0.838 5.158 4.320 -0.000 0.000 0.302 263 A C -1.832 176.182 177.584 0.717 0.000 1.041 263 A CA -0.395 52.002 52.037 0.601 0.000 0.708 263 A CB 1.346 20.739 19.000 0.655 0.000 1.257 263 A HN 0.796 nan 8.150 nan 0.000 0.414 264 W N 1.992 123.461 121.300 0.282 0.000 3.074 264 W HA 0.743 5.403 4.660 -0.000 0.000 0.332 264 W C -1.156 175.397 176.519 0.056 0.000 1.253 264 W CA -0.463 56.975 57.345 0.155 0.000 1.180 264 W CB 1.017 30.482 29.460 0.008 0.000 1.445 264 W HN 0.915 nan 8.180 nan 0.000 0.573 265 N N 0.263 119.002 118.700 0.065 0.000 2.484 265 N HA 0.512 5.252 4.740 -0.000 0.000 0.269 265 N C -2.185 173.235 175.510 -0.150 0.000 1.237 265 N CA -0.817 52.148 53.050 -0.141 0.000 0.838 265 N CB 2.140 40.248 38.487 -0.631 0.000 1.593 265 N HN 0.391 nan 8.380 nan 0.000 0.485 266 F N 0.971 121.087 119.950 0.277 0.000 2.388 266 F HA 0.400 4.927 4.527 0.000 0.000 0.358 266 F C 0.582 176.565 175.800 0.304 0.000 1.122 266 F CA -0.757 57.417 58.000 0.290 0.000 1.056 266 F CB 1.196 40.380 39.000 0.307 0.000 1.155 266 F HN 0.488 nan 8.300 nan 0.000 0.461 267 N N 2.738 121.692 118.700 0.424 0.000 2.292 267 N HA 0.189 4.929 4.740 -0.000 0.000 0.303 267 N C -1.487 174.171 175.510 0.247 0.000 1.140 267 N CA -0.614 52.673 53.050 0.395 0.000 0.788 267 N CB 1.934 40.696 38.487 0.458 0.000 1.361 267 N HN 0.782 nan 8.380 nan 0.000 0.489 268 N N 2.966 121.769 118.700 0.173 0.000 2.469 268 N HA 0.191 4.931 4.740 -0.000 0.000 0.239 268 N C -1.822 173.755 175.510 0.111 0.000 1.053 268 N CA -1.799 51.322 53.050 0.117 0.000 0.937 268 N CB 1.032 39.563 38.487 0.074 0.000 1.163 268 N HN 0.375 nan 8.380 nan 0.000 0.509 269 P HA -0.224 nan 4.420 nan 0.000 0.220 269 P C 1.014 178.377 177.300 0.105 0.000 1.155 269 P CA 1.576 64.747 63.100 0.118 0.000 0.880 269 P CB 0.200 31.961 31.700 0.102 0.000 0.790 270 T N -1.156 113.448 114.554 0.083 0.000 2.665 270 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 270 T C 0.843 175.606 174.700 0.105 0.000 1.035 270 T CA 1.258 63.403 62.100 0.075 0.000 1.151 270 T CB -0.658 68.248 68.868 0.062 0.000 0.862 270 T HN 0.155 nan 8.240 nan 0.000 0.438 271 N N 0.509 119.276 118.700 0.111 0.000 2.408 271 N HA 0.226 4.966 4.740 -0.000 0.000 0.280 271 N C 0.173 175.778 175.510 0.158 0.000 1.002 271 N CA -0.452 52.685 53.050 0.146 0.000 0.907 271 N CB 1.466 40.001 38.487 0.080 0.000 1.161 271 N HN 0.064 nan 8.380 nan 0.000 0.488 272 Y N 3.132 123.486 120.300 0.089 0.000 1.885 272 Y HA -0.228 4.322 4.550 -0.000 0.000 0.233 272 Y C 1.798 177.706 175.900 0.013 0.000 1.104 272 Y CA 2.306 60.462 58.100 0.093 0.000 1.045 272 Y CB -0.670 37.889 38.460 0.165 0.000 0.906 272 Y HN 0.608 nan 8.280 nan 0.000 0.508 273 G N 0.591 109.185 108.800 -0.344 0.000 3.591 273 G HA2 0.072 4.032 3.960 -0.000 0.000 0.282 273 G HA3 0.072 4.032 3.960 -0.000 0.000 0.282 273 G C -0.150 174.263 174.900 -0.811 0.000 1.238 273 G CA -0.336 44.310 45.100 -0.757 0.000 0.993 273 G HN 0.425 nan 8.290 nan 0.000 0.542 274 Q N 0.599 120.121 119.800 -0.463 0.000 2.369 274 Q HA 0.196 4.536 4.340 -0.000 0.000 0.247 274 Q C -0.399 175.524 176.000 -0.129 0.000 1.083 274 Q CA -0.303 55.334 55.803 -0.276 0.000 0.905 274 Q CB 0.287 28.959 28.738 -0.111 0.000 1.305 274 Q HN 0.678 nan 8.270 nan 0.000 0.465 275 Y N 1.380 121.687 120.300 0.012 0.000 2.531 275 Y HA 0.219 4.769 4.550 -0.000 0.000 0.249 275 Y C 0.555 176.506 175.900 0.084 0.000 1.168 275 Y CA -0.517 57.626 58.100 0.072 0.000 1.226 275 Y CB 1.571 40.052 38.460 0.036 0.000 1.177 275 Y HN 0.345 nan 8.280 nan 0.000 0.527 276 T N 0.387 115.031 114.554 0.150 0.000 2.901 276 T HA 0.684 5.034 4.350 -0.000 0.000 0.293 276 T C -0.535 174.195 174.700 0.050 0.000 1.084 276 T CA -0.666 61.491 62.100 0.095 0.000 1.008 276 T CB 1.474 70.365 68.868 0.037 0.000 1.170 276 T HN 0.147 nan 8.240 nan 0.000 0.509 277 A N 2.112 124.957 122.820 0.042 0.000 2.371 277 A HA 0.649 4.969 4.320 -0.000 0.000 0.257 277 A C -0.132 177.446 177.584 -0.010 0.000 1.089 277 A CA -0.350 51.698 52.037 0.018 0.000 0.794 277 A CB -0.131 18.881 19.000 0.020 0.000 1.029 277 A HN 0.776 nan 8.150 nan 0.000 0.488 278 L N 1.408 122.616 121.223 -0.025 0.000 2.349 278 L HA 0.552 4.892 4.340 -0.000 0.000 0.275 278 L C 0.590 177.440 176.870 -0.033 0.000 1.115 278 L CA -0.067 54.745 54.840 -0.047 0.000 0.820 278 L CB 1.002 43.023 42.059 -0.063 0.000 1.135 278 L HN 0.837 nan 8.230 nan 0.000 0.445 279 A N 2.443 125.241 122.820 -0.036 0.000 2.566 279 A HA 0.396 4.716 4.320 -0.000 0.000 0.292 279 A C -0.495 177.073 177.584 -0.027 0.000 1.112 279 A CA -0.681 51.341 52.037 -0.024 0.000 0.707 279 A CB 1.348 20.340 19.000 -0.014 0.000 1.302 279 A HN 0.626 nan 8.150 nan 0.000 0.409 280 N N 1.059 119.747 118.700 -0.019 0.000 3.254 280 N HA 0.249 4.989 4.740 -0.000 0.000 0.308 280 N C -1.007 174.495 175.510 -0.014 0.000 1.281 280 N CA 0.426 53.466 53.050 -0.018 0.000 1.212 280 N CB -0.721 37.759 38.487 -0.012 0.000 1.478 280 N HN 0.512 nan 8.380 nan 0.000 0.548 281 I N 1.193 121.753 120.570 -0.017 0.000 2.533 281 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 281 I C -2.277 173.831 176.117 -0.015 0.000 1.056 281 I CA -2.434 58.859 61.300 -0.011 0.000 1.057 281 I CB 2.680 40.675 38.000 -0.007 0.000 1.240 281 I HN -0.045 nan 8.210 nan 0.000 0.423 282 P HA -0.050 nan 4.420 nan 0.000 0.257 282 P C 0.788 178.080 177.300 -0.013 0.000 1.162 282 P CA 1.226 64.321 63.100 -0.009 0.000 0.762 282 P CB 0.256 31.956 31.700 -0.000 0.000 0.753 283 G N 3.336 112.123 108.800 -0.023 0.000 2.225 283 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.254 283 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.254 283 G C 0.954 175.818 174.900 -0.060 0.000 0.988 283 G CA 0.269 45.349 45.100 -0.033 0.000 0.625 283 G HN 0.709 nan 8.290 nan 0.000 0.527 284 A N -0.804 121.982 122.820 -0.056 0.000 2.275 284 A HA 0.619 4.939 4.320 -0.000 0.000 0.212 284 A C 1.318 178.848 177.584 -0.090 0.000 1.201 284 A CA 1.864 53.859 52.037 -0.069 0.000 0.843 284 A CB -0.484 18.490 19.000 -0.044 0.000 0.873 284 A HN 2.297 nan 8.150 nan 0.000 0.492 285 C N -3.490 115.752 119.300 -0.096 0.000 3.253 285 C HA 0.627 5.087 4.460 -0.000 0.000 0.342 285 C C 0.018 174.942 174.990 -0.109 0.000 1.306 285 C CA -0.334 58.614 59.018 -0.116 0.000 1.207 285 C CB 0.533 28.224 27.740 -0.082 0.000 1.479 285 C HN 0.378 nan 8.230 nan 0.000 0.469 286 S N 0.627 116.250 115.700 -0.129 0.000 2.515 286 S HA 0.435 4.905 4.470 -0.000 0.000 0.285 286 S C 1.488 176.061 174.600 -0.044 0.000 1.265 286 S CA 1.820 59.967 58.200 -0.089 0.000 1.079 286 S CB -0.591 62.559 63.200 -0.083 0.000 0.877 286 S HN 2.969 nan 8.310 nan 0.000 0.493 287 G N 3.211 111.995 108.800 -0.027 0.000 2.162 287 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.260 287 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.260 287 G C 0.368 175.258 174.900 -0.017 0.000 0.976 287 G CA 0.134 45.225 45.100 -0.015 0.000 0.655 287 G HN 1.567 nan 8.290 nan 0.000 0.533 288 A N -0.511 122.293 122.820 -0.025 0.000 2.587 288 A HA 0.549 4.869 4.320 -0.000 0.000 0.233 288 A C 2.204 179.780 177.584 -0.013 0.000 1.049 288 A CA 2.260 54.283 52.037 -0.023 0.000 0.754 288 A CB -0.215 18.767 19.000 -0.029 0.000 0.977 288 A HN 2.461 nan 8.150 nan 0.000 0.509 289 G N 0.760 109.554 108.800 -0.010 0.000 2.199 289 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.254 289 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.254 289 G C 0.598 175.496 174.900 -0.004 0.000 0.982 289 G CA 1.165 46.262 45.100 -0.006 0.000 0.632 289 G HN 1.579 nan 8.290 nan 0.000 0.529 290 T N -1.587 112.964 114.554 -0.005 0.000 2.724 290 T HA 0.720 5.070 4.350 -0.000 0.000 0.274 290 T C 1.615 176.313 174.700 -0.004 0.000 0.984 290 T CA 0.812 62.910 62.100 -0.003 0.000 1.024 290 T CB 1.221 70.087 68.868 -0.002 0.000 1.320 290 T HN 1.089 nan 8.240 nan 0.000 0.555 291 A N 0.046 122.865 122.820 -0.002 0.000 2.119 291 A HA 0.396 4.716 4.320 -0.000 0.000 0.217 291 A C 1.938 179.521 177.584 -0.002 0.000 1.153 291 A CA 1.459 53.495 52.037 -0.002 0.000 0.692 291 A CB -0.738 18.261 19.000 -0.001 0.000 0.799 291 A HN 0.852 nan 8.150 nan 0.000 0.458 292 A N -0.652 122.166 122.820 -0.002 0.000 2.308 292 A HA 0.627 4.947 4.320 -0.000 0.000 0.217 292 A C 1.203 178.784 177.584 -0.005 0.000 1.216 292 A CA 0.490 52.526 52.037 -0.002 0.000 0.864 292 A CB -0.719 18.281 19.000 0.000 0.000 0.902 292 A HN 0.914 nan 8.150 nan 0.000 0.499 293 A N 0.438 123.253 122.820 -0.008 0.000 2.567 293 A HA 0.444 4.764 4.320 -0.000 0.000 0.240 293 A C 0.237 177.812 177.584 -0.015 0.000 1.053 293 A CA 0.852 52.881 52.037 -0.014 0.000 0.755 293 A CB -0.310 18.682 19.000 -0.013 0.000 0.978 293 A HN 0.327 nan 8.150 nan 0.000 0.507 294 T N 2.970 117.510 114.554 -0.023 0.000 2.965 294 T HA 0.292 4.642 4.350 -0.000 0.000 0.306 294 T C 0.650 175.329 174.700 -0.035 0.000 0.991 294 T CA -0.472 61.615 62.100 -0.022 0.000 1.001 294 T CB 1.359 70.217 68.868 -0.016 0.000 0.984 294 T HN 0.379 nan 8.240 nan 0.000 0.446 295 V N 2.750 122.646 119.914 -0.029 0.000 3.444 295 V HA -0.055 4.065 4.120 -0.000 0.000 0.271 295 V C 2.094 178.167 176.094 -0.035 0.000 1.188 295 V CA 1.416 63.695 62.300 -0.034 0.000 1.168 295 V CB -0.846 30.963 31.823 -0.023 0.000 0.810 295 V HN 0.912 nan 8.190 nan 0.000 0.500 296 T N -0.760 113.776 114.554 -0.030 0.000 3.009 296 T HA 0.023 4.373 4.350 -0.000 0.000 0.258 296 T C 0.915 175.594 174.700 -0.035 0.000 1.063 296 T CA 0.853 62.940 62.100 -0.021 0.000 1.139 296 T CB 0.137 69.002 68.868 -0.005 0.000 0.890 296 T HN 0.493 nan 8.240 nan 0.000 0.471 297 T N 3.734 118.251 114.554 -0.063 0.000 2.856 297 T HA 0.462 4.812 4.350 -0.000 0.000 0.283 297 T C -2.703 171.845 174.700 -0.254 0.000 1.008 297 T CA -1.499 60.527 62.100 -0.124 0.000 0.997 297 T CB 2.401 71.229 68.868 -0.067 0.000 0.992 297 T HN -0.012 nan 8.240 nan 0.000 0.454 298 P HA 0.237 nan 4.420 nan 0.000 0.279 298 P C -0.824 176.081 177.300 -0.658 0.000 1.252 298 P CA -0.456 62.350 63.100 -0.490 0.000 0.811 298 P CB 0.864 32.281 31.700 -0.472 0.000 1.035 299 D N 1.049 121.219 120.400 -0.384 0.000 2.508 299 D HA 0.032 4.672 4.640 -0.000 0.000 0.224 299 D C 0.959 177.122 176.300 -0.228 0.000 1.171 299 D CA -0.402 53.450 54.000 -0.247 0.000 1.006 299 D CB -0.722 40.003 40.800 -0.126 0.000 1.073 299 D HN 0.195 nan 8.370 nan 0.000 0.513 300 Y N 1.644 121.912 120.300 -0.052 0.000 2.096 300 Y HA -0.315 4.235 4.550 -0.000 0.000 0.276 300 Y C 2.595 178.489 175.900 -0.009 0.000 1.209 300 Y CA 1.574 59.646 58.100 -0.047 0.000 1.137 300 Y CB -0.522 37.959 38.460 0.035 0.000 0.956 300 Y HN 0.465 nan 8.280 nan 0.000 0.506 301 G N -0.632 108.294 108.800 0.209 0.000 2.448 301 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.219 301 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.219 301 G C 0.783 175.791 174.900 0.181 0.000 1.127 301 G CA 0.932 46.167 45.100 0.226 0.000 0.766 301 G HN 0.328 nan 8.290 nan 0.000 0.552 302 N N 0.082 118.799 118.700 0.028 0.000 2.644 302 N HA 0.132 4.872 4.740 -0.000 0.000 0.313 302 N C 0.734 176.137 175.510 -0.178 0.000 1.863 302 N CA -0.110 52.930 53.050 -0.017 0.000 0.918 302 N CB 0.950 39.436 38.487 -0.002 0.000 1.320 302 N HN -0.071 nan 8.380 nan 0.000 0.490 303 T N -0.954 113.330 114.554 -0.451 0.000 2.962 303 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 303 T C 1.240 175.727 174.700 -0.355 0.000 1.088 303 T CA 0.733 62.490 62.100 -0.572 0.000 1.127 303 T CB 0.113 68.321 68.868 -1.099 0.000 0.883 303 T HN 0.375 nan 8.240 nan 0.000 0.493 304 G N 0.392 109.066 108.800 -0.211 0.000 2.528 304 G HA2 0.543 4.503 3.960 -0.000 0.000 0.289 304 G HA3 0.543 4.503 3.960 -0.000 0.000 0.289 304 G C -0.639 174.153 174.900 -0.181 0.000 1.192 304 G CA -0.306 44.713 45.100 -0.135 0.000 0.921 304 G HN 0.255 nan 8.290 nan 0.000 0.512 305 T N -1.550 112.854 114.554 -0.250 0.000 2.792 305 T HA 0.335 4.685 4.350 -0.000 0.000 0.303 305 T C -0.634 173.840 174.700 -0.377 0.000 1.310 305 T CA -0.370 61.586 62.100 -0.240 0.000 1.007 305 T CB 1.447 70.260 68.868 -0.092 0.000 1.335 305 T HN 0.461 nan 8.240 nan 0.000 0.504 306 Y N -0.398 119.904 120.300 0.004 0.000 2.471 306 Y HA 0.330 4.880 4.550 -0.000 0.000 0.249 306 Y C 1.217 177.114 175.900 -0.005 0.000 1.116 306 Y CA -0.694 57.401 58.100 -0.009 0.000 1.240 306 Y CB 0.814 39.268 38.460 -0.011 0.000 1.251 306 Y HN 0.407 nan 8.280 nan 0.000 0.527 307 N N 2.228 120.993 118.700 0.108 0.000 2.400 307 N HA -0.066 4.674 4.740 -0.000 0.000 0.267 307 N C 1.031 176.581 175.510 0.066 0.000 1.208 307 N CA 0.405 53.500 53.050 0.076 0.000 0.951 307 N CB 0.902 39.418 38.487 0.049 0.000 1.227 307 N HN 0.285 nan 8.380 nan 0.000 0.488 308 E N 2.808 123.053 120.200 0.075 0.000 2.333 308 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 308 E C 1.275 177.925 176.600 0.083 0.000 1.007 308 E CA 1.191 57.643 56.400 0.086 0.000 0.845 308 E CB 0.093 29.848 29.700 0.091 0.000 0.766 308 E HN 0.587 nan 8.360 nan 0.000 0.507 309 Q N -0.106 119.732 119.800 0.064 0.000 2.364 309 Q HA -0.009 4.331 4.340 -0.000 0.000 0.209 309 Q C 1.215 177.247 176.000 0.054 0.000 0.977 309 Q CA 1.129 56.965 55.803 0.055 0.000 0.885 309 Q CB -0.025 28.738 28.738 0.041 0.000 0.941 309 Q HN 0.475 nan 8.270 nan 0.000 0.464 310 L N -0.577 120.679 121.223 0.056 0.000 2.640 310 L HA 0.449 4.788 4.340 -0.000 0.000 0.230 310 L C 0.339 177.256 176.870 0.078 0.000 1.123 310 L CA -0.231 54.639 54.840 0.051 0.000 0.900 310 L CB 0.072 42.149 42.059 0.030 0.000 1.146 310 L HN 0.053 nan 8.230 nan 0.000 0.484 311 A N 0.276 123.162 122.820 0.109 0.000 2.304 311 A HA 0.444 4.764 4.320 -0.000 0.000 0.301 311 A C 1.045 178.722 177.584 0.155 0.000 1.132 311 A CA -0.246 51.894 52.037 0.171 0.000 0.819 311 A CB 1.224 20.362 19.000 0.229 0.000 1.094 311 A HN 0.043 nan 8.150 nan 0.000 0.492 312 V N 0.646 120.644 119.914 0.140 0.000 2.599 312 V HA 0.154 4.274 4.120 -0.000 0.000 0.245 312 V C 0.977 177.102 176.094 0.051 0.000 1.046 312 V CA 0.360 62.691 62.300 0.052 0.000 1.065 312 V CB -1.223 30.560 31.823 -0.065 0.000 0.703 312 V HN 0.641 nan 8.190 nan 0.000 0.464 313 L N 2.606 123.838 121.223 0.014 0.000 2.559 313 L HA 0.179 4.519 4.340 -0.000 0.000 0.274 313 L C 1.046 177.954 176.870 0.063 0.000 1.205 313 L CA 1.076 55.885 54.840 -0.052 0.000 0.907 313 L CB 0.551 42.544 42.059 -0.110 0.000 1.153 313 L HN 0.420 nan 8.230 nan 0.000 0.490 314 D N 1.220 121.628 120.400 0.014 0.000 2.290 314 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 314 D C 0.202 176.559 176.300 0.095 0.000 0.967 314 D CA 1.131 55.168 54.000 0.062 0.000 0.893 314 D CB 0.516 41.336 40.800 0.034 0.000 1.037 314 D HN 0.609 nan 8.370 nan 0.000 0.477 315 S N -1.351 114.383 115.700 0.055 0.000 2.638 315 S HA 0.861 5.331 4.470 -0.000 0.000 0.274 315 S C -1.083 173.575 174.600 0.097 0.000 1.157 315 S CA -0.232 58.045 58.200 0.129 0.000 0.826 315 S CB 2.039 65.288 63.200 0.082 0.000 1.139 315 S HN 0.413 nan 8.310 nan 0.000 0.474 316 A N 0.745 123.701 122.820 0.226 0.000 2.608 316 A HA 0.901 5.221 4.320 -0.000 0.000 0.292 316 A C -1.451 176.244 177.584 0.185 0.000 1.066 316 A CA -0.785 51.300 52.037 0.079 0.000 0.676 316 A CB 1.447 20.387 19.000 -0.101 0.000 1.277 316 A HN 1.482 nan 8.150 nan 0.000 0.413 317 K N 0.474 120.829 120.400 -0.075 0.000 2.597 317 K HA 0.757 5.077 4.320 -0.000 0.000 0.282 317 K C -1.842 174.465 176.600 -0.489 0.000 0.975 317 K CA -0.762 55.344 56.287 -0.303 0.000 0.867 317 K CB 1.228 33.538 32.500 -0.317 0.000 1.465 317 K HN 0.565 nan 8.250 nan 0.000 0.417 318 I N 1.061 121.116 120.570 -0.858 0.000 2.648 318 I HA 0.325 4.495 4.170 -0.000 0.000 0.304 318 I C -0.770 175.096 176.117 -0.419 0.000 1.009 318 I CA -1.020 60.000 61.300 -0.467 0.000 1.114 318 I CB 2.244 40.115 38.000 -0.215 0.000 1.293 318 I HN 0.564 nan 8.210 nan 0.000 0.449 319 Q N 5.010 124.676 119.800 -0.224 0.000 2.285 319 Q HA 0.548 4.888 4.340 -0.000 0.000 0.269 319 Q C -1.576 174.354 176.000 -0.116 0.000 1.030 319 Q CA -0.619 55.079 55.803 -0.174 0.000 0.788 319 Q CB 3.095 31.739 28.738 -0.157 0.000 1.266 319 Q HN 0.468 nan 8.270 nan 0.000 0.438 320 L N 3.224 124.386 121.223 -0.103 0.000 2.265 320 L HA 0.409 4.749 4.340 -0.000 0.000 0.289 320 L C -0.182 176.637 176.870 -0.084 0.000 1.033 320 L CA -0.792 53.987 54.840 -0.101 0.000 0.814 320 L CB 0.766 42.764 42.059 -0.101 0.000 1.203 320 L HN 0.718 nan 8.230 nan 0.000 0.423 321 N N 3.397 122.048 118.700 -0.082 0.000 2.705 321 N HA -0.223 4.517 4.740 -0.000 0.000 0.255 321 N C 1.094 176.567 175.510 -0.061 0.000 1.008 321 N CA 1.065 54.075 53.050 -0.066 0.000 0.742 321 N CB -0.888 37.563 38.487 -0.060 0.000 0.906 321 N HN 1.147 nan 8.380 nan 0.000 0.541 322 G N -0.999 107.761 108.800 -0.068 0.000 2.220 322 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.269 322 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.269 322 G C 0.006 174.866 174.900 -0.067 0.000 0.977 322 G CA 0.955 46.015 45.100 -0.065 0.000 0.634 322 G HN 0.617 nan 8.290 nan 0.000 0.539 323 Q N 0.731 120.491 119.800 -0.066 0.000 2.235 323 Q HA 0.495 4.835 4.340 -0.000 0.000 0.250 323 Q C -1.058 174.892 176.000 -0.084 0.000 0.909 323 Q CA -0.732 55.035 55.803 -0.061 0.000 0.910 323 Q CB 1.014 29.725 28.738 -0.044 0.000 1.223 323 Q HN 0.255 nan 8.270 nan 0.000 0.432 324 D N 1.486 121.834 120.400 -0.087 0.000 2.358 324 D HA 0.014 4.654 4.640 -0.000 0.000 0.258 324 D C 0.785 177.020 176.300 -0.109 0.000 1.223 324 D CA 0.015 53.933 54.000 -0.137 0.000 0.886 324 D CB 0.911 41.641 40.800 -0.118 0.000 1.120 324 D HN 0.368 nan 8.370 nan 0.000 0.482 325 R N 2.913 123.304 120.500 -0.182 0.000 2.148 325 R HA 0.044 4.384 4.340 -0.000 0.000 0.227 325 R C -0.372 176.043 176.300 0.192 0.000 1.103 325 R CA 1.115 57.220 56.100 0.007 0.000 0.983 325 R CB -0.167 30.171 30.300 0.063 0.000 0.874 325 R HN 0.528 nan 8.270 nan 0.000 0.451 326 F N -4.819 115.151 119.950 0.034 0.000 2.744 326 F HA 0.656 5.183 4.527 -0.000 0.000 0.311 326 F C -0.877 174.933 175.800 0.016 0.000 1.144 326 F CA -1.609 56.418 58.000 0.046 0.000 0.938 326 F CB 0.307 39.360 39.000 0.088 0.000 1.292 326 F HN -0.096 nan 8.300 nan 0.000 0.444 327 A N 0.806 123.757 122.820 0.218 0.000 2.448 327 A HA 0.521 4.841 4.320 -0.000 0.000 0.239 327 A C 0.193 177.873 177.584 0.160 0.000 1.080 327 A CA 0.074 52.172 52.037 0.102 0.000 0.779 327 A CB -0.251 18.788 19.000 0.066 0.000 1.026 327 A HN 0.811 nan 8.150 nan 0.000 0.499 328 T N 3.193 117.790 114.554 0.072 0.000 2.888 328 T HA 0.363 4.713 4.350 -0.000 0.000 0.301 328 T C 0.208 174.967 174.700 0.097 0.000 1.001 328 T CA 0.173 62.340 62.100 0.111 0.000 1.147 328 T CB -0.038 68.859 68.868 0.049 0.000 0.931 328 T HN 0.566 nan 8.240 nan 0.000 0.541 329 R N 2.291 122.900 120.500 0.180 0.000 2.807 329 R HA 0.468 4.808 4.340 -0.000 0.000 0.276 329 R C -0.150 176.283 176.300 0.222 0.000 0.979 329 R CA -1.133 54.961 56.100 -0.009 0.000 0.928 329 R CB 0.996 30.951 30.300 -0.575 0.000 1.191 329 R HN 0.427 nan 8.270 nan 0.000 0.471 330 K N 0.306 120.797 120.400 0.151 0.000 2.230 330 K HA 0.131 4.451 4.320 -0.000 0.000 0.253 330 K C 1.549 178.395 176.600 0.409 0.000 1.008 330 K CA 0.171 56.596 56.287 0.230 0.000 0.910 330 K CB 0.365 32.958 32.500 0.155 0.000 0.994 330 K HN 0.835 nan 8.250 nan 0.000 0.495 331 G N 0.454 109.490 108.800 0.395 0.000 2.432 331 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 331 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 331 G C 1.362 176.619 174.900 0.594 0.000 1.135 331 G CA 1.112 46.536 45.100 0.539 0.000 0.767 331 G HN 0.593 nan 8.290 nan 0.000 0.550 332 S N -0.530 115.387 115.700 0.363 0.000 2.507 332 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 332 S C 1.987 176.693 174.600 0.176 0.000 0.988 332 S CA 1.091 59.433 58.200 0.236 0.000 0.944 332 S CB -0.445 62.845 63.200 0.150 0.000 0.762 332 S HN 0.564 nan 8.310 nan 0.000 0.526 333 Y N 1.911 122.239 120.300 0.046 0.000 2.206 333 Y HA 0.139 4.689 4.550 -0.000 0.000 0.292 333 Y C 1.464 177.269 175.900 -0.158 0.000 1.123 333 Y CA 0.857 58.866 58.100 -0.151 0.000 1.142 333 Y CB -0.509 37.731 38.460 -0.366 0.000 1.006 333 Y HN 0.233 nan 8.280 nan 0.000 0.518 334 F N 0.397 120.379 119.950 0.053 0.000 2.558 334 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 334 F C 2.379 178.098 175.800 -0.136 0.000 1.119 334 F CA 1.168 59.126 58.000 -0.070 0.000 1.451 334 F CB -0.428 38.702 39.000 0.217 0.000 1.091 334 F HN 0.253 nan 8.300 nan 0.000 0.563 335 N N 0.389 119.141 118.700 0.087 0.000 2.368 335 N HA -0.060 4.680 4.740 -0.000 0.000 0.178 335 N C 1.598 177.034 175.510 -0.123 0.000 1.021 335 N CA 0.762 53.748 53.050 -0.106 0.000 0.875 335 N CB 0.277 38.698 38.487 -0.110 0.000 1.020 335 N HN 0.261 nan 8.380 nan 0.000 0.433 336 K N 0.089 120.431 120.400 -0.096 0.000 2.225 336 K HA 0.127 4.447 4.320 -0.000 0.000 0.204 336 K C 2.073 178.597 176.600 -0.127 0.000 1.047 336 K CA 0.363 56.590 56.287 -0.100 0.000 0.970 336 K CB 0.196 32.652 32.500 -0.072 0.000 0.939 336 K HN -0.076 nan 8.250 nan 0.000 0.472 337 V N 2.032 121.821 119.914 -0.207 0.000 2.323 337 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 337 V C 2.354 178.274 176.094 -0.290 0.000 1.041 337 V CA 1.512 63.677 62.300 -0.224 0.000 1.025 337 V CB -0.405 31.285 31.823 -0.221 0.000 0.656 337 V HN 0.288 nan 8.190 nan 0.000 0.451 338 Q N -0.461 119.017 119.800 -0.537 0.000 2.061 338 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 338 Q C 0.406 176.243 176.000 -0.272 0.000 0.984 338 Q CA 2.259 57.808 55.803 -0.424 0.000 0.846 338 Q CB -1.626 26.870 28.738 -0.404 0.000 0.902 338 Q HN 0.502 nan 8.270 nan 0.000 0.421 339 P HA -0.162 nan 4.420 nan 0.000 0.215 339 P C 1.248 178.438 177.300 -0.183 0.000 1.157 339 P CA 1.033 63.977 63.100 -0.259 0.000 0.863 339 P CB -0.387 31.155 31.700 -0.264 0.000 0.787 340 Y N 0.869 121.040 120.300 -0.215 0.000 2.207 340 Y HA -0.252 4.298 4.550 0.000 0.000 0.287 340 Y C 2.055 177.870 175.900 -0.142 0.000 1.156 340 Y CA 1.729 59.730 58.100 -0.165 0.000 1.182 340 Y CB -0.627 37.748 38.460 -0.142 0.000 0.979 340 Y HN 0.021 nan 8.280 nan 0.000 0.521 341 Q N -1.139 118.618 119.800 -0.073 0.000 2.331 341 Q HA -0.032 4.308 4.340 -0.000 0.000 0.203 341 Q C 1.864 177.766 176.000 -0.164 0.000 0.944 341 Q CA 1.272 57.008 55.803 -0.112 0.000 0.892 341 Q CB 0.152 28.878 28.738 -0.019 0.000 0.983 341 Q HN 0.564 nan 8.270 nan 0.000 0.482 342 S N -1.766 113.826 115.700 -0.180 0.000 2.632 342 S HA 0.253 4.723 4.470 -0.000 0.000 0.237 342 S C 1.365 175.869 174.600 -0.160 0.000 1.037 342 S CA -0.324 57.786 58.200 -0.150 0.000 1.009 342 S CB 0.349 63.468 63.200 -0.135 0.000 0.974 342 S HN 0.181 nan 8.310 nan 0.000 0.544 343 I N 0.658 121.095 120.570 -0.223 0.000 3.873 343 I HA 0.397 4.567 4.170 -0.000 0.000 0.284 343 I C 1.611 177.597 176.117 -0.219 0.000 1.186 343 I CA 0.438 61.600 61.300 -0.230 0.000 1.362 343 I CB 0.191 37.972 38.000 -0.365 0.000 1.432 343 I HN 0.426 nan 8.210 nan 0.000 0.454 344 G N 1.645 110.289 108.800 -0.260 0.000 2.171 344 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.238 344 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.238 344 G C 0.253 175.041 174.900 -0.187 0.000 1.039 344 G CA 0.112 45.056 45.100 -0.259 0.000 0.759 344 G HN 0.632 nan 8.290 nan 0.000 0.501 345 G N -2.014 106.677 108.800 -0.182 0.000 3.286 345 G HA2 0.814 4.774 3.960 -0.000 0.000 0.166 345 G HA3 0.814 4.774 3.960 -0.000 0.000 0.166 345 G C -0.587 174.232 174.900 -0.134 0.000 1.155 345 G CA 0.153 45.162 45.100 -0.152 0.000 0.871 345 G HN 1.420 nan 8.290 nan 0.000 0.637 346 V N 0.169 120.004 119.914 -0.131 0.000 2.697 346 V HA 0.622 4.741 4.120 -0.000 0.000 0.300 346 V C -1.056 175.021 176.094 -0.028 0.000 1.115 346 V CA -0.421 61.806 62.300 -0.122 0.000 0.912 346 V CB 1.838 33.523 31.823 -0.230 0.000 1.024 346 V HN 0.760 nan 8.190 nan 0.000 0.431 347 T N 9.054 123.595 114.554 -0.021 0.000 2.794 347 T HA 0.543 4.892 4.350 -0.000 0.000 0.280 347 T C -2.756 172.032 174.700 0.147 0.000 0.987 347 T CA -1.181 60.912 62.100 -0.011 0.000 0.993 347 T CB 1.739 70.494 68.868 -0.188 0.000 0.939 347 T HN 0.521 nan 8.240 nan 0.000 0.449 348 P HA 0.251 nan 4.420 nan 0.000 0.269 348 P C -0.518 176.736 177.300 -0.077 0.000 1.215 348 P CA -0.378 62.656 63.100 -0.110 0.000 0.780 348 P CB 0.342 31.877 31.700 -0.275 0.000 0.898 349 A N 2.097 124.885 122.820 -0.054 0.000 2.520 349 A HA 0.422 4.742 4.320 -0.000 0.000 0.235 349 A C 1.493 179.019 177.584 -0.097 0.000 1.065 349 A CA 0.884 52.883 52.037 -0.063 0.000 0.764 349 A CB -1.305 17.702 19.000 0.012 0.000 1.002 349 A HN 0.860 nan 8.150 nan 0.000 0.502 350 G N 0.022 108.688 108.800 -0.224 0.000 2.213 350 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.226 350 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.226 350 G C 0.054 174.663 174.900 -0.485 0.000 0.992 350 G CA 0.079 45.097 45.100 -0.137 0.000 0.632 350 G HN 1.556 nan 8.290 nan 0.000 0.511 351 V N 1.237 120.718 119.914 -0.720 0.000 2.459 351 V HA 0.756 4.876 4.120 -0.000 0.000 0.295 351 V C -0.443 175.064 176.094 -0.979 0.000 1.029 351 V CA -0.943 60.934 62.300 -0.705 0.000 0.874 351 V CB 1.198 32.758 31.823 -0.438 0.000 0.985 351 V HN 0.275 nan 8.190 nan 0.000 0.438 352 Y N 4.315 124.243 120.300 -0.620 0.000 2.485 352 Y HA 0.759 5.309 4.550 -0.000 0.000 0.345 352 Y C -0.230 175.134 175.900 -0.893 0.000 0.998 352 Y CA -1.038 56.544 58.100 -0.863 0.000 1.059 352 Y CB 1.960 39.507 38.460 -1.522 0.000 1.234 352 Y HN 0.433 nan 8.280 nan 0.000 0.461 353 L N 2.999 123.982 121.223 -0.400 0.000 2.409 353 L HA 0.570 4.910 4.340 -0.000 0.000 0.262 353 L C -2.310 174.656 176.870 0.159 0.000 0.992 353 L CA -0.868 53.876 54.840 -0.160 0.000 0.817 353 L CB 2.514 44.424 42.059 -0.248 0.000 1.350 353 L HN 0.853 nan 8.230 nan 0.000 0.411 354 Y N 2.895 123.311 120.300 0.194 0.000 2.301 354 Y HA 0.400 4.950 4.550 -0.000 0.000 0.325 354 Y C -0.754 175.106 175.900 -0.067 0.000 1.103 354 Y CA -0.311 57.900 58.100 0.185 0.000 1.182 354 Y CB 1.660 40.360 38.460 0.400 0.000 1.139 354 Y HN 0.662 nan 8.280 nan 0.000 0.443 355 S N 4.686 119.986 115.700 -0.668 0.000 2.541 355 S HA 0.433 4.903 4.470 -0.000 0.000 0.283 355 S C 0.089 174.332 174.600 -0.596 0.000 1.196 355 S CA -0.375 57.567 58.200 -0.430 0.000 1.062 355 S CB 0.387 63.476 63.200 -0.185 0.000 1.009 355 S HN 0.650 nan 8.310 nan 0.000 0.502 356 F N 2.251 122.256 119.950 0.090 0.000 2.695 356 F HA 0.440 4.967 4.527 -0.000 0.000 0.303 356 F C 1.055 176.930 175.800 0.125 0.000 1.091 356 F CA -0.190 57.892 58.000 0.137 0.000 1.300 356 F CB 0.346 39.501 39.000 0.258 0.000 1.071 356 F HN 0.570 nan 8.300 nan 0.000 0.578 357 A N 0.129 123.091 122.820 0.238 0.000 2.354 357 A HA 0.609 4.929 4.320 -0.000 0.000 0.321 357 A C 0.696 178.341 177.584 0.102 0.000 1.125 357 A CA -0.530 51.626 52.037 0.199 0.000 0.799 357 A CB 1.018 20.175 19.000 0.262 0.000 1.293 357 A HN 0.238 nan 8.150 nan 0.000 0.452 358 L N -0.263 121.014 121.223 0.090 0.000 2.109 358 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 358 L C 1.335 178.226 176.870 0.036 0.000 1.086 358 L CA 1.237 56.105 54.840 0.046 0.000 0.760 358 L CB -0.015 42.071 42.059 0.046 0.000 0.910 358 L HN 0.706 nan 8.230 nan 0.000 0.437 359 K N 0.329 120.772 120.400 0.073 0.000 2.827 359 K HA 0.200 4.520 4.320 -0.000 0.000 0.186 359 K C -1.954 174.726 176.600 0.132 0.000 1.093 359 K CA -1.351 54.978 56.287 0.072 0.000 0.993 359 K CB 1.326 33.862 32.500 0.060 0.000 1.199 359 K HN -0.213 nan 8.250 nan 0.000 0.598 360 P HA -0.158 nan 4.420 nan 0.000 0.219 360 P C 0.720 178.153 177.300 0.222 0.000 1.146 360 P CA 0.981 64.238 63.100 0.262 0.000 0.808 360 P CB 0.311 32.139 31.700 0.214 0.000 0.779 361 A N -0.287 122.660 122.820 0.212 0.000 2.251 361 A HA 0.392 4.712 4.320 -0.000 0.000 0.209 361 A C 1.305 178.934 177.584 0.074 0.000 1.187 361 A CA 0.198 52.309 52.037 0.124 0.000 0.823 361 A CB -0.747 18.409 19.000 0.259 0.000 0.846 361 A HN 0.293 nan 8.150 nan 0.000 0.486 362 G N -1.204 107.657 108.800 0.103 0.000 2.367 362 G HA2 0.441 4.401 3.960 -0.000 0.000 0.314 362 G HA3 0.441 4.401 3.960 -0.000 0.000 0.314 362 G C 0.606 175.589 174.900 0.139 0.000 1.130 362 G CA -0.567 44.593 45.100 0.101 0.000 0.864 362 G HN 0.077 nan 8.290 nan 0.000 0.486 363 R N 0.196 120.774 120.500 0.131 0.000 2.066 363 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 363 R C 1.379 177.823 176.300 0.240 0.000 1.131 363 R CA 0.481 56.691 56.100 0.182 0.000 0.955 363 R CB -0.506 29.884 30.300 0.149 0.000 0.851 363 R HN 0.548 nan 8.270 nan 0.000 0.432 364 Q N 2.759 122.651 119.800 0.153 0.000 2.300 364 Q HA 0.067 4.407 4.340 -0.000 0.000 0.280 364 Q C -2.043 174.022 176.000 0.108 0.000 1.033 364 Q CA -1.507 54.355 55.803 0.099 0.000 0.903 364 Q CB 0.810 29.584 28.738 0.060 0.000 1.195 364 Q HN 0.084 nan 8.270 nan 0.000 0.386 365 P HA -0.015 nan 4.420 nan 0.000 0.265 365 P C -0.722 176.595 177.300 0.027 0.000 1.193 365 P CA 0.228 63.287 63.100 -0.069 0.000 0.765 365 P CB 0.542 31.984 31.700 -0.430 0.000 0.823 366 S N 0.988 116.750 115.700 0.103 0.000 2.801 366 S HA 0.542 5.012 4.470 -0.000 0.000 0.236 366 S C 0.029 174.703 174.600 0.123 0.000 0.852 366 S CA -0.081 58.175 58.200 0.093 0.000 1.089 366 S CB -0.632 62.624 63.200 0.093 0.000 1.376 366 S HN 0.888 nan 8.310 nan 0.000 0.470 367 G N 0.366 109.249 108.800 0.139 0.000 3.088 367 G HA2 0.338 4.298 3.960 -0.000 0.000 0.620 367 G HA3 0.338 4.298 3.960 -0.000 0.000 0.620 367 G C -0.841 174.211 174.900 0.253 0.000 1.375 367 G CA -0.193 45.015 45.100 0.179 0.000 1.016 367 G HN 0.573 nan 8.290 nan 0.000 0.590 368 T N 0.437 115.124 114.554 0.221 0.000 2.889 368 T HA 0.649 4.999 4.350 -0.000 0.000 0.315 368 T C -1.033 173.729 174.700 0.103 0.000 1.291 368 T CA 0.147 62.382 62.100 0.224 0.000 1.028 368 T CB 1.923 70.907 68.868 0.195 0.000 1.235 368 T HN 1.688 nan 8.240 nan 0.000 0.491 369 C N 3.605 122.897 119.300 -0.014 0.000 2.396 369 C HA 0.644 5.104 4.460 -0.000 0.000 0.321 369 C C 0.014 174.990 174.990 -0.023 0.000 1.233 369 C CA -0.766 58.138 59.018 -0.191 0.000 1.440 369 C CB -0.261 27.043 27.740 -0.727 0.000 2.110 369 C HN 1.014 nan 8.230 nan 0.000 0.473 370 N N 3.955 122.629 118.700 -0.043 0.000 2.415 370 N HA 0.288 5.028 4.740 -0.000 0.000 0.246 370 N C 0.220 175.729 175.510 -0.002 0.000 1.078 370 N CA -0.331 52.740 53.050 0.034 0.000 0.942 370 N CB 0.328 38.811 38.487 -0.007 0.000 1.140 370 N HN 0.720 nan 8.380 nan 0.000 0.501 371 F N 1.107 121.020 119.950 -0.062 0.000 2.748 371 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 371 F C 2.165 177.934 175.800 -0.053 0.000 1.154 371 F CA 0.257 58.235 58.000 -0.035 0.000 1.446 371 F CB 0.289 39.311 39.000 0.037 0.000 1.112 371 F HN 0.469 nan 8.300 nan 0.000 0.584 372 S N -0.699 115.048 115.700 0.078 0.000 2.607 372 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 372 S C 1.914 176.507 174.600 -0.011 0.000 0.969 372 S CA 0.447 58.646 58.200 -0.003 0.000 0.927 372 S CB -0.070 63.113 63.200 -0.029 0.000 0.772 372 S HN 0.249 nan 8.310 nan 0.000 0.533 373 R N 0.180 120.664 120.500 -0.028 0.000 2.446 373 R HA 0.350 4.690 4.340 -0.000 0.000 0.254 373 R C -0.193 176.062 176.300 -0.074 0.000 0.918 373 R CA 0.078 56.150 56.100 -0.048 0.000 1.069 373 R CB 0.330 30.599 30.300 -0.052 0.000 1.194 373 R HN 0.352 nan 8.270 nan 0.000 0.534 374 I N 2.261 122.768 120.570 -0.105 0.000 2.287 374 I HA 0.049 4.219 4.170 -0.000 0.000 0.290 374 I C 0.847 176.917 176.117 -0.079 0.000 1.069 374 I CA -0.201 61.018 61.300 -0.135 0.000 1.237 374 I CB 1.184 39.020 38.000 -0.273 0.000 1.418 374 I HN -0.162 nan 8.210 nan 0.000 0.481 375 D N 3.722 124.084 120.400 -0.063 0.000 2.133 375 D HA -0.179 4.460 4.640 -0.000 0.000 0.195 375 D C 0.762 177.033 176.300 -0.049 0.000 0.997 375 D CA 1.665 55.637 54.000 -0.047 0.000 0.840 375 D CB 0.170 40.944 40.800 -0.043 0.000 0.947 375 D HN 0.495 nan 8.370 nan 0.000 0.452 376 N N -0.108 118.555 118.700 -0.061 0.000 2.504 376 N HA 0.349 5.089 4.740 -0.000 0.000 0.280 376 N C -1.831 173.638 175.510 -0.068 0.000 1.052 376 N CA -0.222 52.792 53.050 -0.060 0.000 0.887 376 N CB 1.798 40.249 38.487 -0.060 0.000 1.323 376 N HN -0.158 nan 8.380 nan 0.000 0.509 377 A N 2.660 125.455 122.820 -0.042 0.000 2.318 377 A HA 0.731 5.051 4.320 -0.000 0.000 0.317 377 A C -0.562 177.008 177.584 -0.023 0.000 1.159 377 A CA -0.340 51.690 52.037 -0.012 0.000 0.799 377 A CB 1.021 20.098 19.000 0.129 0.000 1.194 377 A HN 0.536 nan 8.150 nan 0.000 0.479 378 T N 2.284 116.809 114.554 -0.050 0.000 2.909 378 T HA 0.504 4.854 4.350 -0.000 0.000 0.299 378 T C -1.070 173.554 174.700 -0.127 0.000 1.073 378 T CA -0.382 61.664 62.100 -0.091 0.000 0.999 378 T CB 1.377 70.184 68.868 -0.102 0.000 1.098 378 T HN 0.580 nan 8.240 nan 0.000 0.477 379 L N 2.617 123.739 121.223 -0.170 0.000 2.295 379 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 379 L C -0.063 176.662 176.870 -0.241 0.000 1.018 379 L CA -0.437 54.248 54.840 -0.260 0.000 0.841 379 L CB 1.182 43.019 42.059 -0.370 0.000 1.218 379 L HN 0.637 nan 8.230 nan 0.000 0.424 380 S N 5.899 121.458 115.700 -0.235 0.000 2.439 380 S HA 0.542 5.012 4.470 -0.000 0.000 0.282 380 S C -0.470 173.999 174.600 -0.217 0.000 1.170 380 S CA -0.485 57.599 58.200 -0.194 0.000 1.054 380 S CB 0.100 63.199 63.200 -0.169 0.000 0.956 380 S HN 0.537 nan 8.310 nan 0.000 0.490 381 L N 4.329 125.413 121.223 -0.232 0.000 2.346 381 L HA 0.592 4.932 4.340 -0.000 0.000 0.274 381 L C -0.102 176.513 176.870 -0.424 0.000 1.007 381 L CA -0.640 53.995 54.840 -0.341 0.000 0.818 381 L CB 2.412 44.230 42.059 -0.402 0.000 1.284 381 L HN 0.490 nan 8.230 nan 0.000 0.424 382 T N 0.859 115.142 114.554 -0.453 0.000 2.879 382 T HA 0.535 4.885 4.350 -0.000 0.000 0.290 382 T C -0.976 173.475 174.700 -0.415 0.000 0.993 382 T CA -0.499 61.398 62.100 -0.339 0.000 0.975 382 T CB 0.863 69.649 68.868 -0.136 0.000 0.981 382 T HN 0.154 nan 8.240 nan 0.000 0.439 383 Y N 1.276 121.540 120.300 -0.060 0.000 2.432 383 Y HA 0.535 5.085 4.550 -0.000 0.000 0.322 383 Y C 1.058 176.930 175.900 -0.047 0.000 1.246 383 Y CA -1.171 56.874 58.100 -0.092 0.000 1.268 383 Y CB 1.020 39.403 38.460 -0.128 0.000 1.276 383 Y HN 0.349 nan 8.280 nan 0.000 0.499 384 K N 0.049 120.526 120.400 0.129 0.000 2.138 384 K HA 0.273 4.593 4.320 -0.000 0.000 0.251 384 K C -0.573 176.068 176.600 0.068 0.000 1.015 384 K CA -0.500 55.834 56.287 0.078 0.000 0.917 384 K CB 0.387 32.928 32.500 0.067 0.000 1.021 384 K HN 0.535 nan 8.250 nan 0.000 0.485 385 T N 1.557 116.139 114.554 0.046 0.000 2.723 385 T HA 0.077 4.427 4.350 -0.000 0.000 0.297 385 T C -0.085 174.627 174.700 0.021 0.000 0.925 385 T CA -0.451 61.667 62.100 0.031 0.000 1.030 385 T CB -0.324 68.559 68.868 0.025 0.000 0.905 385 T HN 0.519 nan 8.240 nan 0.000 0.502 386 C N 4.343 123.649 119.300 0.010 0.000 2.645 386 C HA 0.178 4.638 4.460 -0.000 0.000 0.451 386 C C 2.049 177.041 174.990 0.003 0.000 1.018 386 C CA -0.638 58.382 59.018 0.004 0.000 1.180 386 C CB -2.421 25.313 27.740 -0.011 0.000 1.563 386 C HN 1.016 nan 8.230 nan 0.000 0.551 387 S N 0.156 115.861 115.700 0.008 0.000 2.512 387 S HA 0.227 4.697 4.470 -0.000 0.000 0.216 387 S C 0.329 174.933 174.600 0.006 0.000 1.006 387 S CA -0.072 58.132 58.200 0.007 0.000 0.915 387 S CB -0.115 63.090 63.200 0.009 0.000 0.824 387 S HN 0.655 nan 8.310 nan 0.000 0.497 388 I N 3.397 123.973 120.570 0.008 0.000 2.618 388 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 388 I C 0.145 176.265 176.117 0.004 0.000 1.146 388 I CA -0.164 61.141 61.300 0.008 0.000 1.425 388 I CB 0.272 38.278 38.000 0.011 0.000 1.383 388 I HN 0.137 nan 8.210 nan 0.000 0.562 389 D N 5.677 126.079 120.400 0.003 0.000 2.342 389 D HA 0.176 4.816 4.640 -0.000 0.000 0.260 389 D C 0.982 177.282 176.300 -0.000 0.000 1.278 389 D CA 0.008 54.009 54.000 0.001 0.000 0.910 389 D CB 1.303 42.103 40.800 0.001 0.000 1.079 389 D HN 0.604 nan 8.370 nan 0.000 0.496 390 A N 3.113 125.931 122.820 -0.002 0.000 2.024 390 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 390 A C 2.077 179.657 177.584 -0.007 0.000 1.164 390 A CA 2.031 54.065 52.037 -0.005 0.000 0.643 390 A CB -0.830 18.166 19.000 -0.008 0.000 0.806 390 A HN 0.681 nan 8.150 nan 0.000 0.451 391 T N -3.346 111.204 114.554 -0.006 0.000 3.085 391 T HA 0.127 4.477 4.350 -0.000 0.000 0.263 391 T C 0.894 175.591 174.700 -0.005 0.000 1.127 391 T CA 0.837 62.933 62.100 -0.007 0.000 1.103 391 T CB -0.302 68.562 68.868 -0.006 0.000 0.921 391 T HN 0.274 nan 8.240 nan 0.000 0.510 392 S N 2.142 117.841 115.700 -0.003 0.000 2.422 392 S HA 0.415 4.885 4.470 -0.000 0.000 0.298 392 S C -1.879 172.720 174.600 -0.000 0.000 1.118 392 S CA -1.662 56.538 58.200 -0.001 0.000 1.083 392 S CB 1.316 64.516 63.200 0.000 0.000 0.971 392 S HN 0.020 nan 8.310 nan 0.000 0.478 393 P HA 0.009 nan 4.420 nan 0.000 0.215 393 P C 1.406 178.708 177.300 0.003 0.000 1.157 393 P CA 1.187 64.288 63.100 0.001 0.000 0.859 393 P CB 0.052 31.753 31.700 0.000 0.000 0.786 394 A N -0.037 122.784 122.820 0.003 0.000 1.940 394 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 394 A C 2.273 179.860 177.584 0.005 0.000 1.176 394 A CA 2.252 54.292 52.037 0.004 0.000 0.631 394 A CB -1.579 17.423 19.000 0.003 0.000 0.814 394 A HN 0.210 nan 8.150 nan 0.000 0.446 395 A N -0.751 122.072 122.820 0.005 0.000 1.874 395 A HA 0.109 4.429 4.320 -0.000 0.000 0.214 395 A C 2.185 179.774 177.584 0.008 0.000 1.189 395 A CA 1.517 53.558 52.037 0.006 0.000 0.615 395 A CB -0.800 18.203 19.000 0.005 0.000 0.830 395 A HN 0.403 nan 8.150 nan 0.000 0.443 396 V N 0.208 120.127 119.914 0.007 0.000 2.427 396 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 396 V C 2.279 178.381 176.094 0.013 0.000 1.051 396 V CA 1.636 63.942 62.300 0.010 0.000 1.048 396 V CB -0.738 31.089 31.823 0.007 0.000 0.666 396 V HN 0.529 nan 8.190 nan 0.000 0.456 397 L N 0.159 121.388 121.223 0.010 0.000 2.554 397 L HA 0.263 4.603 4.340 -0.000 0.000 0.226 397 L C 1.284 178.161 176.870 0.012 0.000 1.137 397 L CA 0.765 55.612 54.840 0.012 0.000 0.863 397 L CB -0.188 41.876 42.059 0.009 0.000 0.985 397 L HN 0.456 nan 8.230 nan 0.000 0.451 398 G N -0.188 108.619 108.800 0.011 0.000 4.332 398 G HA2 0.275 4.235 3.960 -0.000 0.000 0.321 398 G HA3 0.275 4.235 3.960 -0.000 0.000 0.321 398 G C -0.811 174.096 174.900 0.012 0.000 1.439 398 G CA -0.281 44.825 45.100 0.010 0.000 0.900 398 G HN -0.070 nan 8.290 nan 0.000 0.515 399 N N -0.344 118.365 118.700 0.015 0.000 2.831 399 N HA 0.522 5.262 4.740 -0.000 0.000 0.276 399 N C -0.299 175.222 175.510 0.019 0.000 1.416 399 N CA -0.357 52.703 53.050 0.016 0.000 0.799 399 N CB 2.113 40.611 38.487 0.018 0.000 1.554 399 N HN 0.092 nan 8.380 nan 0.000 0.541 400 T N 0.355 114.922 114.554 0.020 0.000 2.828 400 T HA 0.057 4.407 4.350 -0.000 0.000 0.290 400 T C 1.404 176.122 174.700 0.030 0.000 1.019 400 T CA -0.189 61.925 62.100 0.023 0.000 1.031 400 T CB 0.841 69.721 68.868 0.021 0.000 1.001 400 T HN 0.511 nan 8.240 nan 0.000 0.531 401 E N 0.306 120.525 120.200 0.033 0.000 2.347 401 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 401 E C 1.321 177.951 176.600 0.049 0.000 1.008 401 E CA 1.006 57.432 56.400 0.043 0.000 0.852 401 E CB 0.073 29.798 29.700 0.041 0.000 0.783 401 E HN 0.761 nan 8.360 nan 0.000 0.505 402 T N -1.496 113.083 114.554 0.041 0.000 3.105 402 T HA 0.204 4.554 4.350 -0.000 0.000 0.253 402 T C 0.388 175.113 174.700 0.042 0.000 1.047 402 T CA 0.010 62.136 62.100 0.043 0.000 0.944 402 T CB 0.225 69.114 68.868 0.035 0.000 1.016 402 T HN 0.038 nan 8.240 nan 0.000 0.544 403 V N -1.871 118.067 119.914 0.040 0.000 3.001 403 V HA 0.924 5.044 4.120 -0.000 0.000 0.314 403 V C -0.616 175.501 176.094 0.037 0.000 1.099 403 V CA -0.753 61.568 62.300 0.035 0.000 0.989 403 V CB 1.870 33.709 31.823 0.026 0.000 1.040 403 V HN 0.257 nan 8.190 nan 0.000 0.434 404 T N 0.715 115.289 114.554 0.032 0.000 2.645 404 T HA 0.867 5.217 4.350 -0.000 0.000 0.273 404 T C -0.009 174.703 174.700 0.019 0.000 0.960 404 T CA -0.207 61.911 62.100 0.031 0.000 1.051 404 T CB 1.478 70.367 68.868 0.035 0.000 1.366 404 T HN 1.437 nan 8.240 nan 0.000 0.536 405 A N 1.102 123.932 122.820 0.016 0.000 2.327 405 A HA 0.470 4.790 4.320 -0.000 0.000 0.283 405 A C 1.148 178.734 177.584 0.003 0.000 1.127 405 A CA -0.709 51.332 52.037 0.008 0.000 0.810 405 A CB -0.067 18.936 19.000 0.005 0.000 1.066 405 A HN 0.865 nan 8.150 nan 0.000 0.492 406 N N 1.525 120.224 118.700 -0.001 0.000 2.417 406 N HA -0.158 4.582 4.740 -0.000 0.000 0.187 406 N C 0.959 176.463 175.510 -0.009 0.000 1.027 406 N CA 2.081 55.127 53.050 -0.006 0.000 0.891 406 N CB -0.991 37.493 38.487 -0.005 0.000 0.956 406 N HN 0.535 nan 8.380 nan 0.000 0.442 407 T N -0.405 114.145 114.554 -0.006 0.000 3.025 407 T HA 0.038 4.388 4.350 -0.000 0.000 0.270 407 T C 1.760 176.458 174.700 -0.004 0.000 1.126 407 T CA 0.984 63.080 62.100 -0.006 0.000 1.105 407 T CB -0.401 68.462 68.868 -0.008 0.000 0.884 407 T HN 0.565 nan 8.240 nan 0.000 0.522 408 A N 1.589 124.406 122.820 -0.005 0.000 2.172 408 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 408 A C 2.428 179.992 177.584 -0.033 0.000 1.154 408 A CA 1.479 53.511 52.037 -0.008 0.000 0.701 408 A CB -0.908 18.086 19.000 -0.010 0.000 0.789 408 A HN 0.571 nan 8.150 nan 0.000 0.465 409 T N 0.007 114.540 114.554 -0.035 0.000 2.881 409 T HA -0.075 4.275 4.350 -0.000 0.000 0.270 409 T C 1.622 176.305 174.700 -0.029 0.000 1.068 409 T CA 1.200 63.270 62.100 -0.049 0.000 1.131 409 T CB -0.431 68.416 68.868 -0.036 0.000 0.871 409 T HN 0.428 nan 8.240 nan 0.000 0.479 410 L N 0.219 121.440 121.223 -0.004 0.000 2.376 410 L HA 0.169 4.509 4.340 -0.000 0.000 0.219 410 L C 0.876 177.775 176.870 0.048 0.000 1.133 410 L CA 0.523 55.374 54.840 0.019 0.000 0.816 410 L CB -0.742 41.330 42.059 0.021 0.000 0.933 410 L HN 0.282 nan 8.230 nan 0.000 0.449 411 L N 1.599 122.855 121.223 0.056 0.000 2.415 411 L HA 0.033 4.373 4.340 -0.000 0.000 0.269 411 L C 1.239 178.186 176.870 0.129 0.000 1.244 411 L CA -0.064 54.853 54.840 0.129 0.000 1.113 411 L CB -0.321 41.834 42.059 0.161 0.000 1.352 411 L HN 0.181 nan 8.230 nan 0.000 0.433 412 T N -2.907 111.722 114.554 0.125 0.000 3.044 412 T HA 0.313 4.663 4.350 -0.000 0.000 0.260 412 T C 0.628 175.422 174.700 0.156 0.000 1.019 412 T CA 0.011 62.178 62.100 0.110 0.000 0.921 412 T CB 0.597 69.497 68.868 0.053 0.000 1.053 412 T HN 0.370 nan 8.240 nan 0.000 0.533 413 A N 2.014 124.951 122.820 0.196 0.000 2.444 413 A HA 0.661 4.981 4.320 -0.000 0.000 0.332 413 A C -0.133 177.575 177.584 0.206 0.000 1.430 413 A CA -0.671 51.477 52.037 0.186 0.000 0.975 413 A CB -0.083 19.029 19.000 0.187 0.000 1.147 413 A HN 0.617 nan 8.150 nan 0.000 0.524 414 L N 3.699 125.019 121.223 0.161 0.000 2.325 414 L HA 0.226 4.566 4.340 -0.000 0.000 0.284 414 L C -0.729 176.171 176.870 0.049 0.000 1.089 414 L CA -0.352 54.518 54.840 0.050 0.000 0.836 414 L CB 0.323 42.413 42.059 0.051 0.000 1.184 414 L HN 0.629 nan 8.230 nan 0.000 0.444 415 N N 6.945 125.689 118.700 0.073 0.000 2.424 415 N HA 0.453 5.193 4.740 -0.000 0.000 0.271 415 N C -0.849 174.687 175.510 0.044 0.000 0.985 415 N CA -0.280 52.863 53.050 0.155 0.000 0.921 415 N CB 2.263 40.860 38.487 0.184 0.000 1.149 415 N HN 0.483 nan 8.380 nan 0.000 0.492 416 I N 2.996 123.567 120.570 0.001 0.000 2.389 416 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 416 I C -0.833 175.338 176.117 0.089 0.000 0.999 416 I CA -0.699 60.682 61.300 0.135 0.000 1.129 416 I CB 0.767 38.857 38.000 0.150 0.000 1.288 416 I HN 0.310 nan 8.210 nan 0.000 0.444 417 Y N 4.366 124.899 120.300 0.389 0.000 2.487 417 Y HA 0.809 5.359 4.550 -0.000 0.000 0.337 417 Y C 0.230 176.019 175.900 -0.184 0.000 1.076 417 Y CA -0.977 57.209 58.100 0.143 0.000 1.115 417 Y CB 1.989 40.505 38.460 0.093 0.000 1.235 417 Y HN 0.542 nan 8.280 nan 0.000 0.468 418 A N 2.247 124.817 122.820 -0.417 0.000 2.408 418 A HA 0.695 5.014 4.320 -0.000 0.000 0.295 418 A C -1.504 175.709 177.584 -0.619 0.000 1.040 418 A CA -0.928 50.651 52.037 -0.763 0.000 0.707 418 A CB 1.352 19.316 19.000 -1.727 0.000 1.235 418 A HN 0.562 nan 8.150 nan 0.000 0.418 419 K N 2.357 122.325 120.400 -0.720 0.000 2.235 419 K HA 0.466 4.786 4.320 -0.000 0.000 0.266 419 K C -0.271 176.035 176.600 -0.489 0.000 0.980 419 K CA -0.315 55.590 56.287 -0.636 0.000 0.849 419 K CB 0.631 32.617 32.500 -0.858 0.000 1.098 419 K HN 0.903 nan 8.250 nan 0.000 0.445 420 N N 2.098 120.595 118.700 -0.338 0.000 2.577 420 N HA 0.284 5.024 4.740 -0.000 0.000 0.285 420 N C -1.021 174.330 175.510 -0.265 0.000 1.309 420 N CA -0.565 52.347 53.050 -0.230 0.000 0.798 420 N CB 0.732 39.186 38.487 -0.054 0.000 1.463 420 N HN 0.233 nan 8.380 nan 0.000 0.518 421 Y N -0.602 119.683 120.300 -0.026 0.000 2.419 421 Y HA 0.491 5.041 4.550 0.000 0.000 0.328 421 Y C 0.659 176.507 175.900 -0.086 0.000 1.162 421 Y CA -0.279 57.801 58.100 -0.033 0.000 1.174 421 Y CB 1.245 39.701 38.460 -0.008 0.000 1.228 421 Y HN 0.601 nan 8.280 nan 0.000 0.473 422 N N -0.561 118.201 118.700 0.104 0.000 3.020 422 N HA 0.494 5.234 4.740 -0.000 0.000 0.248 422 N C -2.253 173.301 175.510 0.073 0.000 1.480 422 N CA -0.370 52.694 53.050 0.022 0.000 0.874 422 N CB 2.129 40.551 38.487 -0.109 0.000 1.433 422 N HN 0.318 nan 8.380 nan 0.000 0.530 423 V N 1.792 121.774 119.914 0.112 0.000 2.540 423 V HA 0.510 4.630 4.120 -0.000 0.000 0.302 423 V C -0.110 175.986 176.094 0.004 0.000 1.035 423 V CA -0.754 61.591 62.300 0.074 0.000 0.873 423 V CB 1.700 33.603 31.823 0.133 0.000 0.992 423 V HN 0.520 nan 8.190 nan 0.000 0.428 424 L N 6.877 128.102 121.223 0.004 0.000 2.295 424 L HA 0.598 4.938 4.340 -0.000 0.000 0.281 424 L C 0.361 177.293 176.870 0.103 0.000 1.018 424 L CA -0.565 54.274 54.840 -0.001 0.000 0.841 424 L CB 0.543 42.542 42.059 -0.100 0.000 1.218 424 L HN 0.778 nan 8.230 nan 0.000 0.424 425 R N 5.223 125.753 120.500 0.051 0.000 2.297 425 R HA 0.643 4.983 4.340 -0.000 0.000 0.308 425 R C -1.242 175.101 176.300 0.072 0.000 1.029 425 R CA -0.605 55.532 56.100 0.062 0.000 0.929 425 R CB 1.416 31.712 30.300 -0.006 0.000 1.046 425 R HN 0.518 nan 8.270 nan 0.000 0.461 426 I N 4.270 124.917 120.570 0.129 0.000 2.498 426 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 426 I C -0.375 175.774 176.117 0.053 0.000 1.032 426 I CA -0.875 60.492 61.300 0.112 0.000 1.073 426 I CB 2.031 40.178 38.000 0.245 0.000 1.251 426 I HN 0.684 nan 8.210 nan 0.000 0.426 427 M N 3.909 123.507 119.600 -0.003 0.000 2.569 427 M HA 0.189 4.669 4.480 -0.000 0.000 0.287 427 M C -0.588 175.704 176.300 -0.013 0.000 1.130 427 M CA -0.140 55.142 55.300 -0.030 0.000 0.885 427 M CB 2.071 34.641 32.600 -0.050 0.000 1.759 427 M HN 0.563 nan 8.290 nan 0.000 0.515 428 S N 2.027 117.732 115.700 0.008 0.000 3.581 428 S HA -0.145 4.325 4.470 -0.000 0.000 0.354 428 S C 0.755 175.448 174.600 0.154 0.000 1.059 428 S CA 1.822 60.063 58.200 0.069 0.000 1.060 428 S CB -1.985 61.247 63.200 0.053 0.000 0.908 428 S HN 1.866 nan 8.310 nan 0.000 0.475 429 G N -0.078 108.748 108.800 0.044 0.000 2.159 429 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.256 429 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.256 429 G C -0.102 174.769 174.900 -0.048 0.000 0.977 429 G CA 0.693 45.746 45.100 -0.077 0.000 0.652 429 G HN 1.256 nan 8.290 nan 0.000 0.531 430 M N -1.839 117.680 119.600 -0.134 0.000 2.622 430 M HA 0.776 5.256 4.480 -0.000 0.000 0.276 430 M C -0.084 175.967 176.300 -0.415 0.000 1.265 430 M CA -0.358 54.613 55.300 -0.548 0.000 0.850 430 M CB 1.677 33.775 32.600 -0.836 0.000 1.720 430 M HN 0.940 nan 8.290 nan 0.000 0.465 431 G N -0.681 107.817 108.800 -0.503 0.000 2.642 431 G HA2 0.864 4.824 3.960 -0.000 0.000 0.293 431 G HA3 0.864 4.824 3.960 -0.000 0.000 0.293 431 G C -1.439 173.468 174.900 0.011 0.000 1.341 431 G CA -0.576 44.454 45.100 -0.117 0.000 0.916 431 G HN 1.135 nan 8.290 nan 0.000 0.474 432 G N -0.689 108.121 108.800 0.016 0.000 2.703 432 G HA2 0.512 4.472 3.960 -0.000 0.000 0.294 432 G HA3 0.512 4.472 3.960 -0.000 0.000 0.294 432 G C -0.885 174.006 174.900 -0.015 0.000 1.451 432 G CA -0.881 44.236 45.100 0.030 0.000 0.869 432 G HN 0.655 nan 8.290 nan 0.000 0.516 433 L N 1.258 122.467 121.223 -0.023 0.000 2.456 433 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 433 L C 1.859 178.662 176.870 -0.111 0.000 1.189 433 L CA -0.155 54.653 54.840 -0.053 0.000 0.846 433 L CB 1.432 43.470 42.059 -0.035 0.000 1.111 433 L HN 0.776 nan 8.230 nan 0.000 0.475 434 A N 3.542 126.251 122.820 -0.185 0.000 2.067 434 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 434 A C 0.133 177.216 177.584 -0.834 0.000 1.156 434 A CA 1.019 52.761 52.037 -0.490 0.000 0.683 434 A CB -0.072 18.595 19.000 -0.555 0.000 0.808 434 A HN 0.611 nan 8.150 nan 0.000 0.455 435 Y N -1.801 118.491 120.300 -0.014 0.000 2.421 435 Y HA 0.621 5.171 4.550 -0.000 0.000 0.339 435 Y C 0.273 176.225 175.900 0.087 0.000 0.996 435 Y CA -0.756 57.370 58.100 0.043 0.000 1.046 435 Y CB 1.497 39.993 38.460 0.060 0.000 1.226 435 Y HN 0.166 nan 8.280 nan 0.000 0.445 436 A N 2.650 125.643 122.820 0.289 0.000 2.261 436 A HA 0.928 5.248 4.320 -0.000 0.000 0.323 436 A C -0.402 177.395 177.584 0.356 0.000 1.107 436 A CA -0.345 51.844 52.037 0.253 0.000 0.883 436 A CB 0.956 20.036 19.000 0.134 0.000 1.251 436 A HN 0.864 nan 8.150 nan 0.000 0.502 437 N N 0.000 118.843 118.700 0.238 0.000 1.763 437 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 437 N CA 0.000 53.100 53.050 0.083 0.000 0.885 437 N CB 0.000 38.366 38.487 -0.201 0.000 1.341 437 N HN 0.000 nan 8.380 nan 0.000 0.667