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_C 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 0.000 174.394 174.700 -0.510 0.000 1.109 25 T CA 0.000 61.882 62.100 -0.363 0.000 1.349 25 T CB 0.000 68.809 68.868 -0.098 0.000 0.612 26 F N 0.191 119.940 119.950 -0.334 0.000 2.727 26 F HA 0.358 4.854 4.527 -0.052 0.000 0.302 26 F C 1.046 176.379 175.800 -0.777 0.000 1.097 26 F CA -0.276 57.364 58.000 -0.598 0.000 1.330 26 F CB 0.114 38.623 39.000 -0.817 0.000 1.084 26 F HN 0.483 nan 8.300 nan 0.000 0.578 27 F N -0.364 119.648 119.950 0.103 0.000 2.653 27 F HA 0.294 4.789 4.527 -0.054 0.000 0.304 27 F C 0.530 176.336 175.800 0.010 0.000 1.092 27 F CA -0.161 57.876 58.000 0.063 0.000 1.279 27 F CB 0.400 39.437 39.000 0.061 0.000 1.044 27 F HN -0.351 nan 8.300 nan 0.000 0.564 28 K N 0.926 121.358 120.400 0.054 0.000 3.050 28 K HA 0.242 4.529 4.320 -0.054 0.000 0.185 28 K C -0.638 175.906 176.600 -0.093 0.000 1.147 28 K CA 0.010 56.297 56.287 0.001 0.000 0.916 28 K CB 0.258 32.769 32.500 0.019 0.000 1.119 28 K HN -0.145 nan 8.250 nan 0.000 0.605 29 T N 1.242 115.696 114.554 -0.167 0.000 2.870 29 T HA 0.176 4.494 4.350 -0.054 0.000 0.300 29 T C -0.213 174.237 174.700 -0.417 0.000 0.989 29 T CA -0.146 61.766 62.100 -0.315 0.000 1.139 29 T CB 0.737 69.328 68.868 -0.463 0.000 0.920 29 T HN 0.084 nan 8.240 nan 0.000 0.537 30 V N 5.790 125.523 119.914 -0.301 0.000 2.259 30 V HA 0.229 4.316 4.120 -0.054 0.000 0.267 30 V C -0.367 175.636 176.094 -0.151 0.000 1.051 30 V CA -0.945 61.234 62.300 -0.202 0.000 0.830 30 V CB -0.767 31.006 31.823 -0.083 0.000 1.080 30 V HN 0.736 nan 8.190 nan 0.000 0.467 31 Y N 3.758 124.086 120.300 0.046 0.000 2.607 31 Y HA 0.218 4.736 4.550 -0.054 0.000 0.348 31 Y C 1.237 177.178 175.900 0.069 0.000 1.261 31 Y CA 0.044 58.181 58.100 0.062 0.000 1.480 31 Y CB 0.356 38.861 38.460 0.075 0.000 1.358 31 Y HN 0.428 nan 8.280 nan 0.000 0.630 32 R N 1.653 122.322 120.500 0.282 0.000 2.536 32 R HA 0.435 4.742 4.340 -0.054 0.000 0.279 32 R C -0.325 176.103 176.300 0.213 0.000 1.001 32 R CA -0.876 55.342 56.100 0.197 0.000 1.027 32 R CB 0.878 31.283 30.300 0.175 0.000 1.096 32 R HN 0.652 nan 8.270 nan 0.000 0.502 33 R N 1.930 122.510 120.500 0.135 0.000 2.349 33 R HA 0.292 4.600 4.340 -0.054 0.000 0.299 33 R C -0.314 176.052 176.300 0.110 0.000 1.027 33 R CA -0.416 55.712 56.100 0.047 0.000 0.958 33 R CB 0.816 31.108 30.300 -0.012 0.000 1.047 33 R HN 0.596 nan 8.270 nan 0.000 0.468 34 Y N -1.673 118.690 120.300 0.105 0.000 2.730 34 Y HA 0.480 4.999 4.550 -0.053 0.000 0.325 34 Y C 0.217 176.204 175.900 0.145 0.000 1.132 34 Y CA -1.336 56.841 58.100 0.128 0.000 1.206 34 Y CB 0.416 38.974 38.460 0.163 0.000 1.390 34 Y HN 0.350 nan 8.280 nan 0.000 0.555 35 T N 1.843 116.649 114.554 0.420 0.000 2.794 35 T HA 0.176 4.494 4.350 -0.054 0.000 0.296 35 T C -0.300 174.688 174.700 0.479 0.000 0.949 35 T CA -0.541 61.753 62.100 0.323 0.000 1.101 35 T CB -0.546 68.490 68.868 0.280 0.000 0.905 35 T HN 0.740 nan 8.240 nan 0.000 0.516 36 N N 4.315 123.179 118.700 0.274 0.000 2.412 36 N HA 0.339 5.047 4.740 -0.054 0.000 0.258 36 N C -0.619 175.114 175.510 0.371 0.000 1.236 36 N CA 0.219 53.416 53.050 0.246 0.000 0.882 36 N CB -0.125 38.419 38.487 0.095 0.000 1.066 36 N HN 0.591 nan 8.380 nan 0.000 0.465 37 F N 0.695 120.759 119.950 0.190 0.000 2.779 37 F HA 0.864 5.358 4.527 -0.054 0.000 0.316 37 F C -1.600 174.295 175.800 0.159 0.000 1.164 37 F CA -1.242 56.858 58.000 0.165 0.000 0.924 37 F CB 0.781 39.870 39.000 0.147 0.000 1.348 37 F HN 0.497 nan 8.300 nan 0.000 0.467 38 A N 1.276 124.307 122.820 0.352 0.000 2.549 38 A HA 0.835 5.123 4.320 -0.054 0.000 0.297 38 A C -1.663 176.229 177.584 0.513 0.000 1.061 38 A CA -0.775 51.399 52.037 0.227 0.000 0.690 38 A CB 1.368 20.440 19.000 0.121 0.000 1.287 38 A HN 0.827 nan 8.150 nan 0.000 0.402 39 I N 0.391 121.192 120.570 0.385 0.000 2.797 39 I HA 0.705 4.843 4.170 -0.054 0.000 0.307 39 I C -0.170 176.166 176.117 0.364 0.000 1.033 39 I CA -0.506 61.033 61.300 0.399 0.000 1.071 39 I CB 2.196 40.378 38.000 0.303 0.000 1.255 39 I HN 0.750 nan 8.210 nan 0.000 0.445 40 E N 2.328 122.776 120.200 0.412 0.000 2.481 40 E HA 0.173 4.490 4.350 -0.054 0.000 0.301 40 E C -1.782 175.057 176.600 0.398 0.000 0.948 40 E CA -0.303 56.323 56.400 0.377 0.000 0.804 40 E CB 2.242 32.208 29.700 0.444 0.000 1.265 40 E HN 0.534 nan 8.360 nan 0.000 0.406 41 S N 4.572 120.473 115.700 0.335 0.000 2.465 41 S HA 0.540 4.978 4.470 -0.054 0.000 0.279 41 S C -0.343 174.585 174.600 0.547 0.000 1.201 41 S CA -0.321 58.127 58.200 0.413 0.000 1.053 41 S CB 0.066 63.456 63.200 0.317 0.000 0.953 41 S HN 0.364 nan 8.310 nan 0.000 0.488 42 I N 4.179 125.058 120.570 0.514 0.000 2.498 42 I HA 0.326 4.464 4.170 -0.054 0.000 0.290 42 I C 0.190 176.239 176.117 -0.113 0.000 1.032 42 I CA -0.699 60.751 61.300 0.251 0.000 1.073 42 I CB 1.954 40.041 38.000 0.145 0.000 1.251 42 I HN 0.573 nan 8.210 nan 0.000 0.426 43 Q N 3.986 123.280 119.800 -0.842 0.000 2.364 43 Q HA 0.110 4.417 4.340 -0.054 0.000 0.267 43 Q C -0.755 174.905 176.000 -0.567 0.000 0.999 43 Q CA -0.123 54.874 55.803 -1.344 0.000 0.886 43 Q CB 0.962 28.694 28.738 -1.676 0.000 1.243 43 Q HN 0.426 nan 8.270 nan 0.000 0.415 44 Q N 0.964 120.486 119.800 -0.463 0.000 2.214 44 Q HA 0.346 4.654 4.340 -0.054 0.000 0.251 44 Q C -1.145 174.728 176.000 -0.212 0.000 0.936 44 Q CA -0.120 55.548 55.803 -0.224 0.000 0.894 44 Q CB 2.088 30.752 28.738 -0.124 0.000 1.252 44 Q HN 0.596 nan 8.270 nan 0.000 0.448 45 T N 2.565 117.037 114.554 -0.137 0.000 2.729 45 T HA 0.417 4.735 4.350 -0.054 0.000 0.296 45 T C 0.152 174.794 174.700 -0.097 0.000 0.928 45 T CA -0.219 61.812 62.100 -0.115 0.000 1.045 45 T CB -0.099 68.717 68.868 -0.085 0.000 0.902 45 T HN 0.362 nan 8.240 nan 0.000 0.500 46 I N 4.618 125.124 120.570 -0.107 0.000 2.441 46 I HA 0.179 4.316 4.170 -0.054 0.000 0.287 46 I C 0.756 176.835 176.117 -0.064 0.000 1.049 46 I CA -0.466 60.779 61.300 -0.092 0.000 1.381 46 I CB 0.581 38.506 38.000 -0.126 0.000 1.409 46 I HN 0.527 nan 8.210 nan 0.000 0.523 47 N N 5.700 124.372 118.700 -0.047 0.000 2.424 47 N HA 0.547 5.255 4.740 -0.054 0.000 0.271 47 N C -0.335 175.165 175.510 -0.016 0.000 0.985 47 N CA 0.274 53.303 53.050 -0.035 0.000 0.921 47 N CB 1.713 40.172 38.487 -0.045 0.000 1.149 47 N HN 0.905 nan 8.380 nan 0.000 0.492 48 G N 1.314 110.108 108.800 -0.010 0.000 2.434 48 G HA2 -0.112 3.816 3.960 -0.054 0.000 0.671 48 G HA3 -0.112 3.816 3.960 -0.054 0.000 0.671 48 G C -1.423 173.477 174.900 0.000 0.000 1.280 48 G CA -0.451 44.652 45.100 0.006 0.000 0.975 48 G HN 0.657 nan 8.290 nan 0.000 0.510 49 S N -0.682 115.024 115.700 0.010 0.000 2.422 49 S HA 0.554 4.991 4.470 -0.054 0.000 0.308 49 S C 0.450 175.051 174.600 0.001 0.000 1.097 49 S CA -0.296 57.907 58.200 0.004 0.000 1.099 49 S CB 0.758 63.965 63.200 0.013 0.000 0.976 49 S HN 1.365 nan 8.310 nan 0.000 0.471 50 V N 5.428 125.332 119.914 -0.017 0.000 2.521 50 V HA 0.623 4.711 4.120 -0.054 0.000 0.286 50 V C 1.094 177.158 176.094 -0.051 0.000 1.034 50 V CA 0.778 63.059 62.300 -0.031 0.000 1.045 50 V CB 0.225 32.023 31.823 -0.043 0.000 0.974 50 V HN 1.060 nan 8.190 nan 0.000 0.480 51 G N 3.830 112.584 108.800 -0.076 0.000 2.411 51 G HA2 0.440 4.368 3.960 -0.054 0.000 0.295 51 G HA3 0.440 4.368 3.960 -0.054 0.000 0.295 51 G C -1.137 173.701 174.900 -0.104 0.000 1.542 51 G CA -1.005 44.022 45.100 -0.120 0.000 0.814 51 G HN 0.292 nan 8.290 nan 0.000 0.557 52 F N 1.289 121.254 119.950 0.026 0.000 2.612 52 F HA 0.342 4.836 4.527 -0.055 0.000 0.389 52 F C 1.749 177.573 175.800 0.040 0.000 1.055 52 F CA 2.050 60.064 58.000 0.023 0.000 1.232 52 F CB 0.879 39.901 39.000 0.037 0.000 1.044 52 F HN 1.443 nan 8.300 nan 0.000 0.560 53 G N 1.966 110.893 108.800 0.212 0.000 2.176 53 G HA2 -0.297 3.631 3.960 -0.054 0.000 0.253 53 G HA3 -0.297 3.631 3.960 -0.054 0.000 0.253 53 G C 0.083 175.051 174.900 0.114 0.000 0.979 53 G CA -0.277 44.913 45.100 0.150 0.000 0.641 53 G HN 0.591 nan 8.290 nan 0.000 0.530 54 N N 0.658 119.417 118.700 0.098 0.000 2.508 54 N HA 0.566 5.274 4.740 -0.054 0.000 0.285 54 N C -0.041 175.530 175.510 0.101 0.000 1.144 54 N CA -0.144 52.957 53.050 0.085 0.000 0.978 54 N CB 0.890 39.413 38.487 0.060 0.000 1.180 54 N HN 0.322 nan 8.380 nan 0.000 0.484 55 K N 0.482 120.946 120.400 0.107 0.000 2.185 55 K HA 0.569 4.857 4.320 -0.054 0.000 0.269 55 K C -0.922 175.755 176.600 0.129 0.000 0.987 55 K CA -0.713 55.657 56.287 0.138 0.000 0.865 55 K CB 2.020 34.603 32.500 0.139 0.000 1.090 55 K HN 0.251 nan 8.250 nan 0.000 0.450 56 V N 1.164 121.178 119.914 0.166 0.000 3.102 56 V HA 0.708 4.796 4.120 -0.054 0.000 0.312 56 V C -1.203 174.994 176.094 0.171 0.000 1.135 56 V CA -0.305 62.073 62.300 0.130 0.000 1.022 56 V CB 2.234 34.106 31.823 0.082 0.000 1.056 56 V HN 1.007 nan 8.190 nan 0.000 0.436 57 S N 2.574 118.307 115.700 0.055 0.000 2.671 57 S HA 0.887 5.324 4.470 -0.054 0.000 0.277 57 S C -0.893 173.671 174.600 -0.060 0.000 1.165 57 S CA -0.556 57.590 58.200 -0.090 0.000 0.822 57 S CB 2.185 65.100 63.200 -0.476 0.000 1.150 57 S HN 1.094 nan 8.310 nan 0.000 0.479 58 T N 1.203 115.682 114.554 -0.125 0.000 3.041 58 T HA 0.433 4.751 4.350 -0.054 0.000 0.321 58 T C -1.748 172.883 174.700 -0.114 0.000 1.184 58 T CA -0.612 61.450 62.100 -0.064 0.000 1.050 58 T CB 1.806 70.706 68.868 0.053 0.000 1.159 58 T HN 0.683 nan 8.240 nan 0.000 0.469 59 Q N 3.004 122.753 119.800 -0.085 0.000 2.372 59 Q HA 0.341 4.648 4.340 -0.054 0.000 0.259 59 Q C -0.342 175.636 176.000 -0.035 0.000 0.993 59 Q CA -0.842 54.919 55.803 -0.070 0.000 0.854 59 Q CB 0.620 29.323 28.738 -0.058 0.000 1.231 59 Q HN 0.526 nan 8.270 nan 0.000 0.462 60 I N 3.447 124.001 120.570 -0.027 0.000 2.821 60 I HA -0.096 4.041 4.170 -0.054 0.000 0.294 60 I C 0.840 176.980 176.117 0.038 0.000 1.210 60 I CA 0.740 62.048 61.300 0.013 0.000 1.430 60 I CB -0.191 37.797 38.000 -0.020 0.000 1.356 60 I HN 0.558 nan 8.210 nan 0.000 0.563 61 S N 7.313 123.058 115.700 0.076 0.000 2.565 61 S HA 0.361 4.799 4.470 -0.054 0.000 0.274 61 S C 0.389 175.016 174.600 0.045 0.000 1.309 61 S CA -0.891 57.327 58.200 0.030 0.000 1.043 61 S CB 0.907 64.095 63.200 -0.020 0.000 0.939 61 S HN 0.516 nan 8.310 nan 0.000 0.504 62 R N 2.507 122.999 120.500 -0.013 0.000 3.710 62 R HA 0.190 4.498 4.340 -0.054 0.000 0.201 62 R C 0.308 176.529 176.300 -0.132 0.000 1.641 62 R CA -0.264 55.816 56.100 -0.034 0.000 1.390 62 R CB -0.514 29.767 30.300 -0.032 0.000 1.341 62 R HN 0.634 nan 8.270 nan 0.000 0.728 63 N N 0.209 118.704 118.700 -0.341 0.000 2.368 63 N HA -0.018 4.689 4.740 -0.054 0.000 0.178 63 N C 1.012 176.279 175.510 -0.406 0.000 1.021 63 N CA 0.659 53.450 53.050 -0.431 0.000 0.875 63 N CB 0.364 38.422 38.487 -0.714 0.000 1.020 63 N HN 0.383 nan 8.380 nan 0.000 0.433 64 G N 0.081 108.505 108.800 -0.627 0.000 2.667 64 G HA2 0.267 4.195 3.960 -0.054 0.000 0.310 64 G HA3 0.267 4.195 3.960 -0.054 0.000 0.310 64 G C -0.019 174.720 174.900 -0.267 0.000 1.259 64 G CA -0.330 44.370 45.100 -0.666 0.000 1.019 64 G HN -0.118 nan 8.290 nan 0.000 0.496 65 D N -0.905 119.297 120.400 -0.329 0.000 2.137 65 D HA 0.036 4.644 4.640 -0.054 0.000 0.202 65 D C 0.929 177.079 176.300 -0.251 0.000 0.970 65 D CA 1.019 54.885 54.000 -0.223 0.000 0.837 65 D CB 0.268 40.942 40.800 -0.209 0.000 0.981 65 D HN 0.116 nan 8.370 nan 0.000 0.475 66 L N 0.416 121.475 121.223 -0.273 0.000 2.309 66 L HA 0.548 4.856 4.340 -0.054 0.000 0.261 66 L C -0.338 176.384 176.870 -0.247 0.000 1.021 66 L CA -1.192 53.477 54.840 -0.285 0.000 0.823 66 L CB 2.615 44.471 42.059 -0.338 0.000 1.366 66 L HN -0.133 nan 8.230 nan 0.000 0.423 67 I N -2.163 118.246 120.570 -0.269 0.000 2.582 67 I HA 0.691 4.828 4.170 -0.054 0.000 0.292 67 I C 0.015 176.102 176.117 -0.050 0.000 1.066 67 I CA -0.275 60.848 61.300 -0.294 0.000 1.053 67 I CB 2.168 39.914 38.000 -0.423 0.000 1.241 67 I HN 0.771 nan 8.210 nan 0.000 0.421 68 T N 0.038 114.580 114.554 -0.020 0.000 2.995 68 T HA 0.257 4.574 4.350 -0.054 0.000 0.170 68 T C 0.253 174.934 174.700 -0.033 0.000 0.844 68 T CA -0.143 61.984 62.100 0.043 0.000 1.137 68 T CB -0.404 68.446 68.868 -0.030 0.000 2.193 68 T HN 0.583 nan 8.240 nan 0.000 0.384 69 D N 1.401 121.762 120.400 -0.065 0.000 2.399 69 D HA 0.442 5.050 4.640 -0.054 0.000 0.241 69 D C -0.466 175.816 176.300 -0.030 0.000 1.133 69 D CA 0.304 54.257 54.000 -0.078 0.000 0.890 69 D CB 1.016 41.791 40.800 -0.041 0.000 1.201 69 D HN 0.430 nan 8.370 nan 0.000 0.432 70 I N 1.414 121.971 120.570 -0.021 0.000 2.512 70 I HA 0.173 4.311 4.170 -0.054 0.000 0.287 70 I C -0.659 175.515 176.117 0.096 0.000 1.069 70 I CA -0.812 60.528 61.300 0.067 0.000 1.056 70 I CB 2.188 40.251 38.000 0.104 0.000 1.229 70 I HN -0.069 nan 8.210 nan 0.000 0.429 71 V N 6.720 126.724 119.914 0.150 0.000 2.555 71 V HA 0.461 4.549 4.120 -0.054 0.000 0.302 71 V C -0.221 175.955 176.094 0.138 0.000 1.038 71 V CA -0.756 61.635 62.300 0.152 0.000 0.887 71 V CB 2.462 34.383 31.823 0.162 0.000 0.991 71 V HN 0.374 nan 8.190 nan 0.000 0.434 72 V N 4.058 124.000 119.914 0.048 0.000 2.347 72 V HA 0.397 4.485 4.120 -0.054 0.000 0.280 72 V C 0.012 175.911 176.094 -0.325 0.000 1.021 72 V CA -0.601 61.586 62.300 -0.189 0.000 0.847 72 V CB 1.367 33.013 31.823 -0.295 0.000 0.990 72 V HN 0.907 nan 8.190 nan 0.000 0.444 73 E N 4.219 124.197 120.200 -0.370 0.000 2.216 73 E HA 0.607 4.924 4.350 -0.054 0.000 0.279 73 E C -1.333 174.935 176.600 -0.553 0.000 0.997 73 E CA -0.220 55.919 56.400 -0.435 0.000 0.817 73 E CB 1.738 31.249 29.700 -0.315 0.000 1.096 73 E HN 0.538 nan 8.360 nan 0.000 0.393 74 F N 0.997 120.847 119.950 -0.166 0.000 2.588 74 F HA 0.468 4.962 4.527 -0.055 0.000 0.314 74 F C -0.501 175.280 175.800 -0.032 0.000 1.069 74 F CA -1.124 56.833 58.000 -0.072 0.000 0.931 74 F CB 1.837 40.823 39.000 -0.023 0.000 1.260 74 F HN 0.113 nan 8.300 nan 0.000 0.465 75 V N 4.346 124.400 119.914 0.233 0.000 2.482 75 V HA 0.513 4.601 4.120 -0.054 0.000 0.295 75 V C -0.558 175.675 176.094 0.233 0.000 1.026 75 V CA -0.556 61.827 62.300 0.137 0.000 0.856 75 V CB 1.550 33.397 31.823 0.040 0.000 1.001 75 V HN 0.531 nan 8.190 nan 0.000 0.424 76 L N 3.110 124.567 121.223 0.389 0.000 2.283 76 L HA 0.821 5.128 4.340 -0.054 0.000 0.259 76 L C -0.219 177.003 176.870 0.587 0.000 1.027 76 L CA -0.635 54.473 54.840 0.447 0.000 0.828 76 L CB 2.698 45.022 42.059 0.441 0.000 1.380 76 L HN 0.446 nan 8.230 nan 0.000 0.425 77 T N 0.113 114.941 114.554 0.457 0.000 2.879 77 T HA 0.321 4.638 4.350 -0.054 0.000 0.290 77 T C -0.568 174.154 174.700 0.036 0.000 0.993 77 T CA -0.824 61.441 62.100 0.275 0.000 0.975 77 T CB 1.599 70.546 68.868 0.133 0.000 0.981 77 T HN 0.359 nan 8.240 nan 0.000 0.439 78 K N 1.238 121.406 120.400 -0.386 0.000 2.436 78 K HA 0.345 4.633 4.320 -0.054 0.000 0.275 78 K C 1.143 177.569 176.600 -0.291 0.000 0.999 78 K CA -0.153 55.757 56.287 -0.629 0.000 0.980 78 K CB 0.476 32.402 32.500 -0.956 0.000 0.919 78 K HN 0.759 nan 8.250 nan 0.000 0.484 79 G N 1.411 110.073 108.800 -0.229 0.000 3.519 79 G HA2 0.324 4.252 3.960 -0.054 0.000 0.269 79 G HA3 0.324 4.252 3.960 -0.054 0.000 0.269 79 G C 0.176 174.987 174.900 -0.149 0.000 1.028 79 G CA 0.017 45.024 45.100 -0.155 0.000 0.809 79 G HN 0.710 nan 8.290 nan 0.000 0.521 80 G N -0.500 108.192 108.800 -0.181 0.000 2.687 80 G HA2 0.454 4.382 3.960 -0.054 0.000 0.291 80 G HA3 0.454 4.382 3.960 -0.054 0.000 0.291 80 G C -0.691 174.122 174.900 -0.145 0.000 1.420 80 G CA -0.667 44.352 45.100 -0.135 0.000 0.796 80 G HN 0.005 nan 8.290 nan 0.000 0.485 81 N N -0.643 118.003 118.700 -0.090 0.000 2.477 81 N HA 0.329 5.037 4.740 -0.054 0.000 0.284 81 N C 0.947 176.424 175.510 -0.055 0.000 1.353 81 N CA 0.300 53.303 53.050 -0.078 0.000 0.907 81 N CB -0.428 38.034 38.487 -0.043 0.000 1.096 81 N HN 0.678 nan 8.380 nan 0.000 0.479 82 G N -1.969 106.822 108.800 -0.016 0.000 2.442 82 G HA2 0.388 4.316 3.960 -0.054 0.000 0.249 82 G HA3 0.388 4.316 3.960 -0.054 0.000 0.249 82 G C 0.765 175.697 174.900 0.052 0.000 1.263 82 G CA 0.230 45.342 45.100 0.019 0.000 0.846 82 G HN 0.747 nan 8.290 nan 0.000 0.555 83 G N 1.053 109.905 108.800 0.086 0.000 2.198 83 G HA2 -0.260 3.667 3.960 -0.054 0.000 0.260 83 G HA3 -0.260 3.667 3.960 -0.054 0.000 0.260 83 G C 0.849 175.852 174.900 0.172 0.000 1.025 83 G CA 0.858 46.033 45.100 0.125 0.000 0.769 83 G HN 0.999 nan 8.290 nan 0.000 0.507 84 T N -0.423 114.207 114.554 0.126 0.000 3.023 84 T HA 0.327 4.645 4.350 -0.054 0.000 0.253 84 T C 0.995 175.724 174.700 0.048 0.000 1.038 84 T CA 1.147 63.300 62.100 0.089 0.000 0.962 84 T CB 0.710 69.566 68.868 -0.020 0.000 1.018 84 T HN 0.379 nan 8.240 nan 0.000 0.521 85 T N 0.939 115.585 114.554 0.154 0.000 2.942 85 T HA 0.601 4.919 4.350 -0.054 0.000 0.289 85 T C -2.064 172.837 174.700 0.336 0.000 1.044 85 T CA -0.473 61.752 62.100 0.208 0.000 1.023 85 T CB 1.516 70.572 68.868 0.313 0.000 1.123 85 T HN 0.141 nan 8.240 nan 0.000 0.512 86 Y N 2.404 122.789 120.300 0.141 0.000 2.347 86 Y HA 0.301 4.815 4.550 -0.060 0.000 0.339 86 Y C -1.146 174.928 175.900 0.289 0.000 1.152 86 Y CA -1.236 56.989 58.100 0.208 0.000 1.321 86 Y CB -0.174 38.476 38.460 0.317 0.000 1.137 86 Y HN 0.826 nan 8.280 nan 0.000 0.486 87 Y N 4.473 124.636 120.300 -0.228 0.000 3.078 87 Y HA -0.264 4.251 4.550 -0.059 0.000 0.202 87 Y C -1.910 173.834 175.900 -0.260 0.000 1.322 87 Y CA 0.453 58.398 58.100 -0.258 0.000 1.118 87 Y CB -0.962 37.361 38.460 -0.228 0.000 1.343 87 Y HN 0.477 nan 8.280 nan 0.000 0.499 88 P HA -0.252 nan 4.420 nan 0.000 0.215 88 P C 1.598 178.629 177.300 -0.448 0.000 1.157 88 P CA 2.463 65.373 63.100 -0.317 0.000 0.868 88 P CB 0.129 31.650 31.700 -0.299 0.000 0.788 89 A N -0.259 122.195 122.820 -0.610 0.000 1.972 89 A HA -0.236 4.052 4.320 -0.054 0.000 0.219 89 A C 2.314 179.786 177.584 -0.186 0.000 1.169 89 A CA 1.675 53.428 52.037 -0.473 0.000 0.635 89 A CB -1.208 17.574 19.000 -0.363 0.000 0.810 89 A HN 0.207 nan 8.150 nan 0.000 0.446 90 E N -0.344 119.802 120.200 -0.090 0.000 2.046 90 E HA -0.216 4.102 4.350 -0.054 0.000 0.190 90 E C 2.024 178.593 176.600 -0.051 0.000 0.982 90 E CA 1.178 57.628 56.400 0.084 0.000 0.800 90 E CB -0.175 29.682 29.700 0.262 0.000 0.756 90 E HN 0.747 nan 8.360 nan 0.000 0.449 91 E N 0.585 120.611 120.200 -0.289 0.000 2.106 91 E HA -0.173 4.144 4.350 -0.054 0.000 0.192 91 E C 2.340 178.765 176.600 -0.291 0.000 0.984 91 E CA 0.452 56.522 56.400 -0.550 0.000 0.806 91 E CB -0.068 29.010 29.700 -1.037 0.000 0.750 91 E HN 0.325 nan 8.360 nan 0.000 0.458 92 L N 0.807 121.849 121.223 -0.301 0.000 2.043 92 L HA -0.139 4.169 4.340 -0.054 0.000 0.212 92 L C 1.396 178.168 176.870 -0.163 0.000 1.075 92 L CA 0.893 55.547 54.840 -0.310 0.000 0.752 92 L CB -0.066 41.549 42.059 -0.740 0.000 0.891 92 L HN 0.249 nan 8.230 nan 0.000 0.432 93 L N 0.724 121.900 121.223 -0.079 0.000 2.376 93 L HA -0.066 4.241 4.340 -0.054 0.000 0.250 93 L C 1.517 178.374 176.870 -0.022 0.000 1.335 93 L CA 0.021 54.898 54.840 0.062 0.000 1.214 93 L CB 0.256 42.384 42.059 0.115 0.000 1.395 93 L HN 0.379 nan 8.230 nan 0.000 0.424 94 Q N 1.550 121.371 119.800 0.035 0.000 2.152 94 Q HA -0.183 4.125 4.340 -0.054 0.000 0.206 94 Q C -0.453 175.597 176.000 0.083 0.000 0.985 94 Q CA 2.025 57.874 55.803 0.078 0.000 0.863 94 Q CB 0.277 29.085 28.738 0.116 0.000 0.904 94 Q HN 0.864 nan 8.270 nan 0.000 0.422 95 D N -3.430 116.990 120.400 0.034 0.000 2.720 95 D HA 0.408 5.016 4.640 -0.054 0.000 0.239 95 D C -1.481 174.787 176.300 -0.053 0.000 1.218 95 D CA -0.820 53.133 54.000 -0.080 0.000 0.748 95 D CB 1.307 42.027 40.800 -0.133 0.000 1.387 95 D HN -0.079 nan 8.370 nan 0.000 0.438 96 V N 0.012 119.867 119.914 -0.098 0.000 2.709 96 V HA 0.663 4.750 4.120 -0.054 0.000 0.308 96 V C -0.691 175.396 176.094 -0.011 0.000 1.062 96 V CA -0.725 61.523 62.300 -0.088 0.000 0.901 96 V CB 1.658 33.507 31.823 0.042 0.000 1.003 96 V HN 0.758 nan 8.190 nan 0.000 0.425 97 E N 3.430 123.578 120.200 -0.087 0.000 2.191 97 E HA 0.518 4.836 4.350 -0.054 0.000 0.263 97 E C -1.574 174.930 176.600 -0.160 0.000 0.881 97 E CA -0.635 55.711 56.400 -0.091 0.000 0.757 97 E CB 2.038 31.682 29.700 -0.093 0.000 1.147 97 E HN 0.715 nan 8.360 nan 0.000 0.414 98 L N 4.467 125.463 121.223 -0.380 0.000 2.276 98 L HA 0.422 4.729 4.340 -0.054 0.000 0.286 98 L C -0.653 176.096 176.870 -0.203 0.000 1.061 98 L CA -0.155 54.416 54.840 -0.448 0.000 0.807 98 L CB 1.004 42.530 42.059 -0.888 0.000 1.177 98 L HN 0.697 nan 8.230 nan 0.000 0.429 99 E N 5.966 126.114 120.200 -0.087 0.000 2.234 99 E HA 0.468 4.786 4.350 -0.054 0.000 0.266 99 E C -1.587 174.988 176.600 -0.042 0.000 0.877 99 E CA -0.659 55.717 56.400 -0.039 0.000 0.758 99 E CB 2.007 31.730 29.700 0.039 0.000 1.170 99 E HN 0.585 nan 8.360 nan 0.000 0.415 100 I N 3.301 123.844 120.570 -0.046 0.000 2.436 100 I HA 0.343 4.480 4.170 -0.054 0.000 0.289 100 I C 0.762 176.815 176.117 -0.107 0.000 1.010 100 I CA -0.596 60.685 61.300 -0.032 0.000 1.098 100 I CB 1.924 39.943 38.000 0.030 0.000 1.266 100 I HN 0.932 nan 8.210 nan 0.000 0.434 101 G N 4.307 112.939 108.800 -0.279 0.000 2.341 101 G HA2 -0.162 3.766 3.960 -0.054 0.000 0.292 101 G HA3 -0.162 3.766 3.960 -0.054 0.000 0.292 101 G C 1.036 175.694 174.900 -0.403 0.000 1.021 101 G CA 0.779 45.402 45.100 -0.795 0.000 0.905 101 G HN 1.491 nan 8.290 nan 0.000 0.508 102 G N -1.736 106.952 108.800 -0.187 0.000 2.267 102 G HA2 -0.327 3.601 3.960 -0.054 0.000 0.257 102 G HA3 -0.327 3.601 3.960 -0.054 0.000 0.257 102 G C 0.449 175.294 174.900 -0.092 0.000 0.998 102 G CA 1.243 46.278 45.100 -0.109 0.000 0.620 102 G HN 1.328 nan 8.290 nan 0.000 0.529 103 Q N 0.618 120.364 119.800 -0.090 0.000 2.256 103 Q HA 0.443 4.751 4.340 -0.054 0.000 0.254 103 Q C 0.439 176.410 176.000 -0.049 0.000 0.916 103 Q CA -0.712 55.060 55.803 -0.051 0.000 0.932 103 Q CB 0.735 29.465 28.738 -0.013 0.000 1.207 103 Q HN 0.500 nan 8.270 nan 0.000 0.426 104 R N 4.597 125.066 120.500 -0.052 0.000 2.316 104 R HA 0.090 4.398 4.340 -0.054 0.000 0.314 104 R C 0.536 176.820 176.300 -0.028 0.000 1.069 104 R CA -0.200 55.864 56.100 -0.060 0.000 0.959 104 R CB 0.401 30.661 30.300 -0.066 0.000 0.987 104 R HN 0.634 nan 8.270 nan 0.000 0.446 105 I N 1.829 122.377 120.570 -0.037 0.000 2.628 105 I HA 0.180 4.318 4.170 -0.054 0.000 0.255 105 I C 0.361 176.494 176.117 0.026 0.000 1.119 105 I CA 0.765 62.069 61.300 0.006 0.000 1.448 105 I CB -0.809 37.228 38.000 0.061 0.000 1.133 105 I HN 0.669 nan 8.210 nan 0.000 0.438 106 D N -0.193 120.185 120.400 -0.036 0.000 2.694 106 D HA 0.344 4.952 4.640 -0.054 0.000 0.260 106 D C -1.226 175.064 176.300 -0.016 0.000 1.250 106 D CA -0.532 53.486 54.000 0.029 0.000 0.763 106 D CB 2.109 42.993 40.800 0.141 0.000 1.311 106 D HN -0.090 nan 8.370 nan 0.000 0.420 107 K N 1.445 121.901 120.400 0.094 0.000 2.565 107 K HA 0.416 4.704 4.320 -0.054 0.000 0.251 107 K C -1.505 175.148 176.600 0.087 0.000 0.956 107 K CA -0.602 55.704 56.287 0.032 0.000 0.809 107 K CB 0.867 33.344 32.500 -0.039 0.000 1.267 107 K HN 0.401 nan 8.250 nan 0.000 0.438 108 H N 1.501 120.572 119.070 0.001 0.000 2.615 108 H HA 0.496 5.020 4.556 -0.053 0.000 0.346 108 H C -0.887 174.226 175.328 -0.359 0.000 1.200 108 H CA -0.279 55.787 56.048 0.030 0.000 1.264 108 H CB 0.816 30.812 29.762 0.390 0.000 1.699 108 H HN 0.455 nan 8.280 nan 0.000 0.567 109 Y N -0.726 119.769 120.300 0.326 0.000 2.634 109 Y HA 0.170 4.687 4.550 -0.055 0.000 0.340 109 Y C 1.512 177.428 175.900 0.027 0.000 1.058 109 Y CA -0.961 57.221 58.100 0.136 0.000 1.081 109 Y CB 0.716 39.260 38.460 0.139 0.000 1.295 109 Y HN 0.421 nan 8.280 nan 0.000 0.487 110 N N 0.791 119.615 118.700 0.206 0.000 2.011 110 N HA -0.241 4.466 4.740 -0.054 0.000 0.199 110 N C 1.263 176.950 175.510 0.295 0.000 1.047 110 N CA 2.295 55.470 53.050 0.208 0.000 0.863 110 N CB -0.349 38.348 38.487 0.350 0.000 1.056 110 N HN 0.887 nan 8.380 nan 0.000 0.427 111 D N -0.047 120.528 120.400 0.292 0.000 2.221 111 D HA -0.150 4.457 4.640 -0.054 0.000 0.204 111 D C 1.837 178.230 176.300 0.155 0.000 0.982 111 D CA 0.699 54.835 54.000 0.226 0.000 0.857 111 D CB -0.136 40.828 40.800 0.272 0.000 0.934 111 D HN 0.458 nan 8.370 nan 0.000 0.475 112 W N -0.140 121.130 121.300 -0.050 0.000 2.378 112 W HA -0.242 4.390 4.660 -0.048 0.000 0.313 112 W C 1.312 177.833 176.519 0.003 0.000 1.197 112 W CA 0.445 57.606 57.345 -0.306 0.000 1.304 112 W CB -0.418 28.956 29.460 -0.143 0.000 1.148 112 W HN -0.088 nan 8.180 nan 0.000 0.494 113 F N 1.341 121.082 119.950 -0.348 0.000 2.120 113 F HA -0.217 4.278 4.527 -0.054 0.000 0.300 113 F C 2.672 178.270 175.800 -0.338 0.000 1.095 113 F CA 2.037 59.800 58.000 -0.394 0.000 1.249 113 F CB -1.509 37.445 39.000 -0.076 0.000 0.995 113 F HN -0.092 nan 8.300 nan 0.000 0.480 114 R N 0.006 120.498 120.500 -0.014 0.000 2.066 114 R HA -0.106 4.202 4.340 -0.054 0.000 0.232 114 R C 2.164 178.357 176.300 -0.178 0.000 1.131 114 R CA 2.095 58.122 56.100 -0.121 0.000 0.955 114 R CB -0.958 29.277 30.300 -0.108 0.000 0.851 114 R HN 0.154 nan 8.270 nan 0.000 0.432 115 T N -0.188 114.232 114.554 -0.223 0.000 2.777 115 T HA -0.162 4.156 4.350 -0.054 0.000 0.266 115 T C 1.313 175.715 174.700 -0.496 0.000 1.040 115 T CA 1.499 63.413 62.100 -0.311 0.000 1.141 115 T CB -0.490 68.217 68.868 -0.268 0.000 0.868 115 T HN 0.354 nan 8.240 nan 0.000 0.444 116 Y N 1.902 121.615 120.300 -0.977 0.000 2.224 116 Y HA -0.151 4.369 4.550 -0.052 0.000 0.289 116 Y C 2.159 177.744 175.900 -0.525 0.000 1.146 116 Y CA 1.596 59.142 58.100 -0.924 0.000 1.182 116 Y CB -0.334 37.281 38.460 -1.408 0.000 0.983 116 Y HN 0.188 nan 8.280 nan 0.000 0.524 117 D N -0.287 119.816 120.400 -0.495 0.000 2.123 117 D HA -0.125 4.483 4.640 -0.054 0.000 0.200 117 D C 2.193 178.257 176.300 -0.392 0.000 0.976 117 D CA 1.320 55.026 54.000 -0.490 0.000 0.831 117 D CB -0.279 40.240 40.800 -0.469 0.000 0.974 117 D HN 0.389 nan 8.370 nan 0.000 0.469 118 A N -0.281 122.340 122.820 -0.331 0.000 1.969 118 A HA -0.032 4.256 4.320 -0.054 0.000 0.218 118 A C 2.240 179.616 177.584 -0.345 0.000 1.169 118 A CA 0.907 52.794 52.037 -0.251 0.000 0.635 118 A CB -0.465 18.427 19.000 -0.180 0.000 0.810 118 A HN 0.357 nan 8.150 nan 0.000 0.445 119 L N -3.026 117.894 121.223 -0.505 0.000 2.262 119 L HA 0.157 4.465 4.340 -0.054 0.000 0.197 119 L C 1.621 177.912 176.870 -0.966 0.000 1.073 119 L CA 0.690 55.077 54.840 -0.755 0.000 0.800 119 L CB -0.044 41.455 42.059 -0.934 0.000 0.987 119 L HN 0.400 nan 8.230 nan 0.000 0.470 120 F N -0.792 118.727 119.950 -0.717 0.000 2.695 120 F HA 0.238 4.734 4.527 -0.053 0.000 0.303 120 F C 1.047 176.472 175.800 -0.623 0.000 1.091 120 F CA -0.311 57.251 58.000 -0.730 0.000 1.300 120 F CB 0.284 38.698 39.000 -0.977 0.000 1.071 120 F HN -0.129 nan 8.300 nan 0.000 0.578 121 R N 1.943 122.185 120.500 -0.430 0.000 2.664 121 R HA 0.738 5.045 4.340 -0.054 0.000 0.286 121 R C -0.686 175.508 176.300 -0.177 0.000 0.967 121 R CA -0.529 55.408 56.100 -0.272 0.000 0.933 121 R CB 1.321 31.438 30.300 -0.304 0.000 1.146 121 R HN 0.190 nan 8.270 nan 0.000 0.468 122 M N 0.908 120.449 119.600 -0.098 0.000 2.721 122 M HA 0.480 4.928 4.480 -0.054 0.000 0.271 122 M C -0.662 175.633 176.300 -0.007 0.000 1.259 122 M CA -0.777 54.489 55.300 -0.058 0.000 0.835 122 M CB 2.045 34.593 32.600 -0.087 0.000 1.689 122 M HN 0.833 nan 8.290 nan 0.000 0.470 123 N N -0.014 118.692 118.700 0.009 0.000 1.191 123 N HA -0.243 4.465 4.740 -0.054 0.000 0.120 123 N C -0.268 175.291 175.510 0.080 0.000 0.826 123 N CA 1.558 54.624 53.050 0.028 0.000 0.876 123 N CB -0.999 37.489 38.487 0.003 0.000 1.050 123 N HN 0.883 nan 8.380 nan 0.000 0.603 124 D N -0.065 120.382 120.400 0.078 0.000 2.218 124 D HA -0.080 4.528 4.640 -0.054 0.000 0.204 124 D C 1.353 177.739 176.300 0.142 0.000 0.976 124 D CA 1.296 55.377 54.000 0.136 0.000 0.853 124 D CB -0.588 40.270 40.800 0.096 0.000 0.939 124 D HN 0.403 nan 8.370 nan 0.000 0.481 125 D N 0.356 120.806 120.400 0.084 0.000 2.144 125 D HA -0.137 4.471 4.640 -0.054 0.000 0.199 125 D C 1.976 178.338 176.300 0.104 0.000 0.984 125 D CA 0.815 54.856 54.000 0.067 0.000 0.834 125 D CB 0.112 40.929 40.800 0.027 0.000 0.955 125 D HN 0.019 nan 8.370 nan 0.000 0.465 126 R N -1.300 119.265 120.500 0.109 0.000 2.148 126 R HA -0.162 4.146 4.340 -0.054 0.000 0.223 126 R C 1.966 178.422 176.300 0.259 0.000 1.088 126 R CA 0.836 57.026 56.100 0.150 0.000 0.985 126 R CB -0.355 30.001 30.300 0.093 0.000 0.880 126 R HN 0.315 nan 8.270 nan 0.000 0.451 127 Y N 1.190 121.560 120.300 0.117 0.000 2.286 127 Y HA -0.065 4.498 4.550 0.021 0.000 0.293 127 Y C 1.865 177.820 175.900 0.092 0.000 1.124 127 Y CA 1.570 59.732 58.100 0.104 0.000 1.178 127 Y CB -0.550 37.949 38.460 0.065 0.000 1.010 127 Y HN 0.124 nan 8.280 nan 0.000 0.536 128 N N -1.061 117.595 118.700 -0.073 0.000 2.120 128 N HA -0.293 4.415 4.740 -0.054 0.000 0.188 128 N C 1.959 177.407 175.510 -0.103 0.000 1.024 128 N CA 1.277 54.230 53.050 -0.162 0.000 0.852 128 N CB -0.499 37.971 38.487 -0.028 0.000 1.003 128 N HN 0.484 nan 8.380 nan 0.000 0.424 129 Y N 1.877 122.136 120.300 -0.067 0.000 2.207 129 Y HA -0.165 4.349 4.550 -0.060 0.000 0.287 129 Y C 2.561 178.472 175.900 0.018 0.000 1.156 129 Y CA 1.603 59.704 58.100 0.001 0.000 1.182 129 Y CB -0.331 38.160 38.460 0.052 0.000 0.979 129 Y HN -0.027 nan 8.280 nan 0.000 0.521 130 R N 0.041 120.510 120.500 -0.052 0.000 2.148 130 R HA -0.077 4.231 4.340 -0.054 0.000 0.223 130 R C 2.308 178.401 176.300 -0.346 0.000 1.088 130 R CA 0.988 56.943 56.100 -0.242 0.000 0.985 130 R CB -0.069 30.129 30.300 -0.171 0.000 0.880 130 R HN 0.336 nan 8.270 nan 0.000 0.451 131 R N -0.336 119.940 120.500 -0.375 0.000 2.075 131 R HA -0.040 4.268 4.340 -0.054 0.000 0.232 131 R C 2.202 178.387 176.300 -0.193 0.000 1.126 131 R CA 1.730 57.641 56.100 -0.316 0.000 0.963 131 R CB -0.150 29.927 30.300 -0.371 0.000 0.858 131 R HN 0.239 nan 8.270 nan 0.000 0.435 132 M N -0.655 118.838 119.600 -0.178 0.000 2.394 132 M HA -0.072 4.376 4.480 -0.054 0.000 0.264 132 M C 1.429 177.726 176.300 -0.005 0.000 1.073 132 M CA 1.321 56.590 55.300 -0.052 0.000 1.111 132 M CB 0.254 32.819 32.600 -0.058 0.000 1.401 132 M HN 0.027 nan 8.290 nan 0.000 0.448 133 T N -0.100 114.327 114.554 -0.210 0.000 3.014 133 T HA 0.049 4.366 4.350 -0.054 0.000 0.250 133 T C -0.084 174.402 174.700 -0.355 0.000 1.060 133 T CA 0.366 62.312 62.100 -0.255 0.000 1.040 133 T CB 0.102 68.723 68.868 -0.412 0.000 0.971 133 T HN 0.508 nan 8.240 nan 0.000 0.497 134 D N -1.538 118.717 120.400 -0.242 0.000 2.792 134 D HA 0.024 4.632 4.640 -0.054 0.000 0.335 134 D C -1.353 174.901 176.300 -0.076 0.000 1.353 134 D CA -0.872 52.956 54.000 -0.287 0.000 0.839 134 D CB 0.042 40.642 40.800 -0.334 0.000 1.396 134 D HN -0.000 nan 8.370 nan 0.000 0.479 135 W N 0.827 122.215 121.300 0.147 0.000 2.356 135 W HA 0.379 5.004 4.660 -0.058 0.000 0.311 135 W C 1.092 177.631 176.519 0.033 0.000 1.328 135 W CA -0.541 56.867 57.345 0.105 0.000 1.251 135 W CB 1.235 30.758 29.460 0.105 0.000 1.280 135 W HN 0.348 nan 8.180 nan 0.000 0.524 136 V N 0.207 120.242 119.914 0.202 0.000 3.346 136 V HA 0.235 4.323 4.120 -0.054 0.000 0.309 136 V C 0.301 176.499 176.094 0.173 0.000 1.457 136 V CA 0.080 62.475 62.300 0.159 0.000 1.069 136 V CB -0.170 31.722 31.823 0.115 0.000 0.944 136 V HN 0.560 nan 8.190 nan 0.000 0.449 137 N N 2.600 121.405 118.700 0.175 0.000 2.338 137 N HA 0.203 4.911 4.740 -0.054 0.000 0.251 137 N C -0.326 175.249 175.510 0.107 0.000 1.199 137 N CA 0.176 53.306 53.050 0.133 0.000 0.879 137 N CB 0.308 38.866 38.487 0.118 0.000 1.159 137 N HN 0.552 nan 8.380 nan 0.000 0.514 138 N N 1.365 120.131 118.700 0.110 0.000 2.754 138 N HA -0.133 4.575 4.740 -0.054 0.000 0.248 138 N C -0.453 175.077 175.510 0.034 0.000 1.093 138 N CA 0.823 53.914 53.050 0.069 0.000 0.699 138 N CB -1.123 37.395 38.487 0.052 0.000 1.016 138 N HN 0.480 nan 8.380 nan 0.000 0.552 139 E N 0.591 120.811 120.200 0.033 0.000 2.422 139 E HA 0.242 4.559 4.350 -0.054 0.000 0.260 139 E C 1.096 177.620 176.600 -0.127 0.000 1.108 139 E CA 0.097 56.467 56.400 -0.051 0.000 0.943 139 E CB 1.161 30.793 29.700 -0.113 0.000 0.961 139 E HN 0.344 nan 8.360 nan 0.000 0.443 140 L N 0.167 121.311 121.223 -0.132 0.000 2.347 140 L HA 0.352 4.659 4.340 -0.054 0.000 0.268 140 L C 0.318 177.078 176.870 -0.185 0.000 1.019 140 L CA -1.499 53.263 54.840 -0.130 0.000 0.806 140 L CB 0.763 42.777 42.059 -0.076 0.000 1.339 140 L HN 0.206 nan 8.230 nan 0.000 0.463 141 V N 1.008 120.832 119.914 -0.149 0.000 2.953 141 V HA 0.046 4.134 4.120 -0.054 0.000 0.304 141 V C 1.301 177.314 176.094 -0.136 0.000 1.138 141 V CA 1.768 63.976 62.300 -0.153 0.000 1.266 141 V CB 0.290 32.051 31.823 -0.103 0.000 0.923 141 V HN 1.056 nan 8.190 nan 0.000 0.505 142 G N 2.796 111.516 108.800 -0.135 0.000 2.212 142 G HA2 -0.157 3.771 3.960 -0.054 0.000 0.266 142 G HA3 -0.157 3.771 3.960 -0.054 0.000 0.266 142 G C 0.433 175.292 174.900 -0.069 0.000 0.978 142 G CA 0.265 45.316 45.100 -0.082 0.000 0.632 142 G HN 1.751 nan 8.290 nan 0.000 0.537 143 A N 0.197 122.936 122.820 -0.135 0.000 2.454 143 A HA 0.606 4.894 4.320 -0.054 0.000 0.260 143 A C 0.457 178.095 177.584 0.089 0.000 1.106 143 A CA 0.862 52.860 52.037 -0.065 0.000 0.780 143 A CB 0.454 19.351 19.000 -0.171 0.000 1.044 143 A HN 0.700 nan 8.150 nan 0.000 0.498 144 Q N 2.086 121.997 119.800 0.186 0.000 2.293 144 Q HA 0.537 4.845 4.340 -0.054 0.000 0.261 144 Q C -0.746 175.405 176.000 0.251 0.000 0.960 144 Q CA -0.504 55.461 55.803 0.269 0.000 0.882 144 Q CB 0.998 29.818 28.738 0.137 0.000 1.275 144 Q HN 0.746 nan 8.270 nan 0.000 0.445 145 K N 2.492 123.015 120.400 0.205 0.000 2.443 145 K HA 0.436 4.723 4.320 -0.054 0.000 0.251 145 K C -1.085 175.077 176.600 -0.730 0.000 0.972 145 K CA -0.879 55.205 56.287 -0.339 0.000 0.833 145 K CB 1.593 33.646 32.500 -0.744 0.000 1.317 145 K HN 0.438 nan 8.250 nan 0.000 0.441 146 R N 2.965 123.025 120.500 -0.732 0.000 2.207 146 R HA 0.295 4.603 4.340 -0.054 0.000 0.334 146 R C -1.197 174.542 176.300 -0.934 0.000 1.013 146 R CA -0.190 55.518 56.100 -0.653 0.000 0.858 146 R CB -0.160 29.912 30.300 -0.380 0.000 1.094 146 R HN 0.426 nan 8.270 nan 0.000 0.457 147 F N 3.356 123.062 119.950 -0.405 0.000 2.458 147 F HA 0.398 4.890 4.527 -0.057 0.000 0.330 147 F C -0.203 175.308 175.800 -0.481 0.000 1.082 147 F CA -0.776 57.026 58.000 -0.332 0.000 0.995 147 F CB 1.237 40.111 39.000 -0.210 0.000 1.170 147 F HN 0.320 nan 8.300 nan 0.000 0.478 148 Y N 1.386 121.723 120.300 0.061 0.000 2.332 148 Y HA 0.535 5.052 4.550 -0.055 0.000 0.326 148 Y C -0.719 175.205 175.900 0.040 0.000 0.978 148 Y CA -1.188 56.915 58.100 0.004 0.000 1.205 148 Y CB 1.491 39.912 38.460 -0.065 0.000 1.131 148 Y HN 0.203 nan 8.280 nan 0.000 0.462 149 V N 6.225 126.259 119.914 0.199 0.000 2.333 149 V HA 0.377 4.465 4.120 -0.054 0.000 0.274 149 V C -2.221 174.011 176.094 0.230 0.000 1.028 149 V CA -2.025 60.421 62.300 0.243 0.000 0.851 149 V CB 1.212 33.232 31.823 0.328 0.000 1.000 149 V HN 0.503 nan 8.190 nan 0.000 0.456 150 P HA 0.348 nan 4.420 nan 0.000 0.286 150 P C -0.509 176.793 177.300 0.005 0.000 1.269 150 P CA -0.312 62.843 63.100 0.092 0.000 0.787 150 P CB 1.381 33.116 31.700 0.058 0.000 0.920 151 L N 4.401 125.609 121.223 -0.026 0.000 2.436 151 L HA 0.325 4.633 4.340 -0.054 0.000 0.265 151 L C 1.507 178.129 176.870 -0.412 0.000 1.168 151 L CA -0.470 54.275 54.840 -0.158 0.000 0.815 151 L CB 0.407 42.424 42.059 -0.071 0.000 1.109 151 L HN 0.405 nan 8.230 nan 0.000 0.462 152 I N -1.741 118.462 120.570 -0.612 0.000 3.158 152 I HA 0.310 4.448 4.170 -0.054 0.000 0.344 152 I C -0.373 175.530 176.117 -0.357 0.000 1.459 152 I CA -0.401 60.552 61.300 -0.578 0.000 0.956 152 I CB -0.172 37.285 38.000 -0.905 0.000 1.793 152 I HN 0.238 nan 8.210 nan 0.000 0.522 153 F N 1.015 120.807 119.950 -0.264 0.000 2.378 153 F HA 0.282 4.778 4.527 -0.051 0.000 0.319 153 F C 1.683 177.264 175.800 -0.365 0.000 1.155 153 F CA -0.881 56.943 58.000 -0.294 0.000 1.157 153 F CB 0.516 39.186 39.000 -0.550 0.000 1.252 153 F HN 0.235 nan 8.300 nan 0.000 0.550 154 F N 0.406 120.455 119.950 0.166 0.000 2.115 154 F HA -0.304 4.191 4.527 -0.054 0.000 0.300 154 F C 1.720 177.579 175.800 0.097 0.000 1.092 154 F CA 1.202 59.276 58.000 0.123 0.000 1.245 154 F CB -1.767 37.340 39.000 0.177 0.000 0.995 154 F HN 0.334 nan 8.300 nan 0.000 0.481 155 F N -0.204 119.368 119.950 -0.630 0.000 2.780 155 F HA 0.304 4.800 4.527 -0.052 0.000 0.299 155 F C 1.470 177.150 175.800 -0.200 0.000 1.146 155 F CA 0.102 57.898 58.000 -0.340 0.000 1.428 155 F CB -1.016 37.658 39.000 -0.542 0.000 1.115 155 F HN -0.088 nan 8.300 nan 0.000 0.583 156 N N 0.737 118.986 118.700 -0.753 0.000 2.405 156 N HA -0.038 4.670 4.740 -0.054 0.000 0.175 156 N C 1.316 176.670 175.510 -0.260 0.000 1.051 156 N CA 0.659 53.391 53.050 -0.529 0.000 0.899 156 N CB -0.153 37.986 38.487 -0.579 0.000 1.000 156 N HN 0.579 nan 8.380 nan 0.000 0.451 157 Q N -0.264 119.427 119.800 -0.182 0.000 2.384 157 Q HA 0.154 4.462 4.340 -0.054 0.000 0.207 157 Q C -0.310 175.677 176.000 -0.022 0.000 0.904 157 Q CA 0.602 56.351 55.803 -0.090 0.000 0.933 157 Q CB 0.806 29.506 28.738 -0.062 0.000 1.077 157 Q HN 0.054 nan 8.270 nan 0.000 0.522 158 T N 1.011 115.569 114.554 0.005 0.000 3.295 158 T HA 0.143 4.461 4.350 -0.054 0.000 0.331 158 T C -2.429 172.297 174.700 0.043 0.000 1.142 158 T CA -0.947 61.176 62.100 0.038 0.000 1.078 158 T CB 2.195 71.116 68.868 0.089 0.000 1.150 158 T HN -0.160 nan 8.240 nan 0.000 0.465 159 P HA -0.004 nan 4.420 nan 0.000 0.225 159 P C 1.514 178.834 177.300 0.033 0.000 1.148 159 P CA 0.629 63.719 63.100 -0.016 0.000 0.779 159 P CB -0.080 31.570 31.700 -0.082 0.000 0.780 160 G N -0.005 108.838 108.800 0.073 0.000 2.598 160 G HA2 -0.078 3.850 3.960 -0.054 0.000 0.215 160 G HA3 -0.078 3.850 3.960 -0.054 0.000 0.215 160 G C 1.246 176.286 174.900 0.233 0.000 1.131 160 G CA 0.143 45.317 45.100 0.123 0.000 0.785 160 G HN 0.278 nan 8.290 nan 0.000 0.539 161 L N 0.803 122.178 121.223 0.253 0.000 3.066 161 L HA 0.416 4.724 4.340 -0.054 0.000 0.265 161 L C 1.233 178.255 176.870 0.252 0.000 1.232 161 L CA -0.731 54.335 54.840 0.377 0.000 1.031 161 L CB 0.464 42.785 42.059 0.437 0.000 1.379 161 L HN 0.122 nan 8.230 nan 0.000 0.563 162 A N 1.317 124.231 122.820 0.157 0.000 2.566 162 A HA 0.023 4.311 4.320 -0.054 0.000 0.245 162 A C 0.253 177.769 177.584 -0.113 0.000 1.056 162 A CA 0.079 52.136 52.037 0.033 0.000 0.757 162 A CB 0.129 19.106 19.000 -0.039 0.000 0.979 162 A HN 0.261 nan 8.150 nan 0.000 0.508 163 L N 6.334 127.418 121.223 -0.231 0.000 2.385 163 L HA 0.246 4.554 4.340 -0.054 0.000 0.281 163 L C -1.931 174.739 176.870 -0.334 0.000 1.106 163 L CA -1.520 53.071 54.840 -0.415 0.000 0.856 163 L CB 1.065 42.658 42.059 -0.776 0.000 1.186 163 L HN 0.456 nan 8.230 nan 0.000 0.453 164 P HA 0.066 nan 4.420 nan 0.000 0.271 164 P C 0.825 178.042 177.300 -0.137 0.000 1.380 164 P CA -0.203 62.783 63.100 -0.189 0.000 0.992 164 P CB 0.554 32.276 31.700 0.036 0.000 1.230 165 L N 3.781 124.905 121.223 -0.166 0.000 2.201 165 L HA -0.134 4.173 4.340 -0.054 0.000 0.212 165 L C 2.362 179.184 176.870 -0.081 0.000 1.105 165 L CA 1.267 56.038 54.840 -0.115 0.000 0.775 165 L CB -0.622 41.383 42.059 -0.089 0.000 0.913 165 L HN 0.317 nan 8.230 nan 0.000 0.440 166 I N -3.116 117.409 120.570 -0.076 0.000 3.001 166 I HA -0.024 4.114 4.170 -0.054 0.000 0.268 166 I C 2.063 178.180 176.117 -0.001 0.000 1.267 166 I CA 0.989 62.265 61.300 -0.039 0.000 1.472 166 I CB -0.411 37.577 38.000 -0.020 0.000 1.089 166 I HN 0.054 nan 8.210 nan 0.000 0.468 167 A N 1.039 123.883 122.820 0.040 0.000 2.348 167 A HA 0.476 4.764 4.320 -0.054 0.000 0.224 167 A C 1.469 179.052 177.584 -0.000 0.000 1.227 167 A CA -0.055 52.041 52.037 0.098 0.000 0.885 167 A CB -0.096 19.085 19.000 0.301 0.000 0.933 167 A HN 0.473 nan 8.150 nan 0.000 0.506 168 L N -0.198 120.991 121.223 -0.057 0.000 3.209 168 L HA 0.182 4.489 4.340 -0.054 0.000 0.279 168 L C 1.638 178.433 176.870 -0.125 0.000 1.301 168 L CA -0.018 54.779 54.840 -0.072 0.000 1.004 168 L CB 0.300 42.343 42.059 -0.027 0.000 1.402 168 L HN 0.553 nan 8.230 nan 0.000 0.577 169 Q N 0.332 119.962 119.800 -0.283 0.000 2.389 169 Q HA -0.210 4.097 4.340 -0.054 0.000 0.213 169 Q C 0.776 176.510 176.000 -0.443 0.000 0.989 169 Q CA 2.072 57.611 55.803 -0.439 0.000 0.891 169 Q CB 0.078 28.401 28.738 -0.692 0.000 0.923 169 Q HN 0.679 nan 8.270 nan 0.000 0.455 170 Y N -2.557 117.782 120.300 0.065 0.000 2.453 170 Y HA 0.224 4.742 4.550 -0.054 0.000 0.247 170 Y C -0.074 175.966 175.900 0.234 0.000 1.124 170 Y CA -0.873 57.294 58.100 0.111 0.000 1.243 170 Y CB 0.778 39.294 38.460 0.094 0.000 1.213 170 Y HN 0.056 nan 8.280 nan 0.000 0.523 171 H N 1.674 120.789 119.070 0.076 0.000 2.504 171 H HA 0.246 4.770 4.556 -0.054 0.000 0.322 171 H C -0.576 174.753 175.328 0.002 0.000 1.055 171 H CA -1.610 54.462 56.048 0.040 0.000 1.231 171 H CB 0.793 30.568 29.762 0.021 0.000 1.417 171 H HN 0.218 nan 8.280 nan 0.000 0.472 172 E N 1.823 122.038 120.200 0.026 0.000 2.289 172 E HA 0.391 4.709 4.350 -0.054 0.000 0.278 172 E C -0.868 175.715 176.600 -0.028 0.000 1.032 172 E CA -0.756 55.642 56.400 -0.004 0.000 0.854 172 E CB 0.896 30.589 29.700 -0.012 0.000 1.046 172 E HN 0.129 nan 8.360 nan 0.000 0.409 173 V N 4.163 124.051 119.914 -0.044 0.000 2.383 173 V HA 0.323 4.411 4.120 -0.054 0.000 0.275 173 V C 0.147 176.198 176.094 -0.071 0.000 1.036 173 V CA -0.564 61.688 62.300 -0.080 0.000 0.889 173 V CB 0.509 32.247 31.823 -0.143 0.000 0.985 173 V HN 0.641 nan 8.190 nan 0.000 0.459 174 K N 4.573 124.941 120.400 -0.053 0.000 2.400 174 K HA 0.815 5.103 4.320 -0.054 0.000 0.246 174 K C -1.484 175.064 176.600 -0.088 0.000 0.995 174 K CA -0.920 55.318 56.287 -0.081 0.000 0.840 174 K CB 2.779 35.243 32.500 -0.059 0.000 1.293 174 K HN 0.402 nan 8.250 nan 0.000 0.445 175 L N 1.929 123.022 121.223 -0.217 0.000 2.436 175 L HA 0.449 4.757 4.340 -0.054 0.000 0.268 175 L C -1.647 174.953 176.870 -0.449 0.000 0.974 175 L CA -0.883 53.801 54.840 -0.260 0.000 0.826 175 L CB 1.428 43.338 42.059 -0.249 0.000 1.291 175 L HN 0.550 nan 8.230 nan 0.000 0.406 176 Y N 2.643 122.711 120.300 -0.386 0.000 2.338 176 Y HA 0.512 5.030 4.550 -0.054 0.000 0.328 176 Y C -0.475 175.235 175.900 -0.316 0.000 0.965 176 Y CA -0.708 57.259 58.100 -0.221 0.000 1.208 176 Y CB 1.138 39.534 38.460 -0.107 0.000 1.132 176 Y HN 0.229 nan 8.280 nan 0.000 0.469 177 F N 0.876 120.903 119.950 0.128 0.000 2.432 177 F HA 0.677 5.171 4.527 -0.055 0.000 0.329 177 F C 0.323 176.188 175.800 0.107 0.000 1.076 177 F CA -0.838 57.227 58.000 0.108 0.000 1.018 177 F CB 1.791 40.844 39.000 0.089 0.000 1.201 177 F HN 0.178 nan 8.300 nan 0.000 0.489 178 T N 3.852 118.572 114.554 0.277 0.000 2.930 178 T HA 0.442 4.760 4.350 -0.054 0.000 0.313 178 T C -0.434 174.368 174.700 0.170 0.000 1.019 178 T CA -0.593 61.623 62.100 0.194 0.000 1.004 178 T CB 0.408 69.370 68.868 0.156 0.000 0.987 178 T HN 0.306 nan 8.240 nan 0.000 0.456 179 L N 2.507 123.816 121.223 0.143 0.000 2.380 179 L HA 0.584 4.892 4.340 -0.054 0.000 0.273 179 L C 1.127 178.054 176.870 0.095 0.000 1.138 179 L CA -0.931 53.962 54.840 0.087 0.000 0.832 179 L CB 0.435 42.508 42.059 0.024 0.000 1.124 179 L HN 0.641 nan 8.230 nan 0.000 0.454 180 A N 2.047 124.910 122.820 0.072 0.000 2.483 180 A HA 0.208 4.496 4.320 -0.054 0.000 0.238 180 A C 1.130 178.828 177.584 0.190 0.000 1.070 180 A CA 0.213 52.304 52.037 0.090 0.000 0.770 180 A CB 0.326 19.336 19.000 0.017 0.000 1.008 180 A HN 0.905 nan 8.150 nan 0.000 0.497 181 S N 0.699 116.474 115.700 0.124 0.000 2.478 181 S HA 0.100 4.538 4.470 -0.054 0.000 0.222 181 S C 0.406 175.000 174.600 -0.010 0.000 1.008 181 S CA 0.364 58.645 58.200 0.135 0.000 0.928 181 S CB -0.006 63.243 63.200 0.082 0.000 0.781 181 S HN 0.731 nan 8.310 nan 0.000 0.518 182 Q N 1.183 120.918 119.800 -0.107 0.000 2.350 182 Q HA 0.531 4.839 4.340 -0.054 0.000 0.255 182 Q C -1.899 174.000 176.000 -0.167 0.000 0.951 182 Q CA -0.420 55.233 55.803 -0.250 0.000 0.751 182 Q CB 2.466 30.834 28.738 -0.617 0.000 1.296 182 Q HN 0.121 nan 8.270 nan 0.000 0.453 183 V N 2.440 122.266 119.914 -0.147 0.000 2.357 183 V HA 0.163 4.250 4.120 -0.054 0.000 0.284 183 V C 0.027 176.071 176.094 -0.085 0.000 1.018 183 V CA -0.762 61.475 62.300 -0.104 0.000 0.841 183 V CB 1.529 33.328 31.823 -0.040 0.000 0.991 183 V HN 0.679 nan 8.190 nan 0.000 0.437 184 Q N 3.773 123.518 119.800 -0.092 0.000 2.263 184 Q HA 0.369 4.677 4.340 -0.054 0.000 0.289 184 Q C 1.138 177.055 176.000 -0.139 0.000 1.061 184 Q CA 1.477 57.192 55.803 -0.147 0.000 0.927 184 Q CB 0.385 28.996 28.738 -0.213 0.000 1.154 184 Q HN 1.254 nan 8.270 nan 0.000 0.378 185 G N 1.974 110.671 108.800 -0.171 0.000 2.159 185 G HA2 -0.230 3.697 3.960 -0.054 0.000 0.256 185 G HA3 -0.230 3.697 3.960 -0.054 0.000 0.256 185 G C 0.235 175.079 174.900 -0.093 0.000 0.977 185 G CA 0.243 45.258 45.100 -0.141 0.000 0.652 185 G HN 0.620 nan 8.290 nan 0.000 0.531 186 V N -0.771 119.110 119.914 -0.055 0.000 3.914 186 V HA 0.237 4.325 4.120 -0.054 0.000 0.187 186 V C 1.944 177.992 176.094 -0.078 0.000 1.258 186 V CA 1.331 63.632 62.300 0.002 0.000 1.298 186 V CB -0.133 31.766 31.823 0.127 0.000 1.453 186 V HN 0.213 nan 8.190 nan 0.000 0.553 187 N N -1.282 117.315 118.700 -0.172 0.000 2.197 187 N HA 0.049 4.757 4.740 -0.054 0.000 0.184 187 N C 0.016 175.359 175.510 -0.278 0.000 1.030 187 N CA 1.254 54.087 53.050 -0.362 0.000 0.851 187 N CB 0.106 38.210 38.487 -0.639 0.000 1.003 187 N HN 0.460 nan 8.380 nan 0.000 0.430 188 Y N -1.464 118.688 120.300 -0.246 0.000 2.693 188 Y HA 0.470 4.987 4.550 -0.054 0.000 0.331 188 Y C -0.542 175.253 175.900 -0.174 0.000 1.092 188 Y CA -1.320 56.672 58.100 -0.181 0.000 1.131 188 Y CB 1.027 39.391 38.460 -0.159 0.000 1.318 188 Y HN -0.129 nan 8.280 nan 0.000 0.510 189 N N 0.338 119.062 118.700 0.041 0.000 2.707 189 N HA 0.459 5.167 4.740 -0.054 0.000 0.249 189 N C -0.198 175.315 175.510 0.005 0.000 1.299 189 N CA 0.646 53.663 53.050 -0.057 0.000 0.769 189 N CB 0.482 38.932 38.487 -0.061 0.000 1.236 189 N HN 0.990 nan 8.380 nan 0.000 0.524 190 G N 1.414 110.210 108.800 -0.007 0.000 2.520 190 G HA2 -0.294 3.633 3.960 -0.054 0.000 0.248 190 G HA3 -0.294 3.633 3.960 -0.054 0.000 0.248 190 G C 0.671 175.608 174.900 0.062 0.000 1.161 190 G CA 0.278 45.413 45.100 0.059 0.000 0.946 190 G HN 0.984 nan 8.290 nan 0.000 0.565 191 S N -0.433 115.311 115.700 0.074 0.000 2.548 191 S HA 0.476 4.914 4.470 -0.054 0.000 0.215 191 S C 0.917 175.646 174.600 0.215 0.000 0.976 191 S CA 1.142 59.386 58.200 0.074 0.000 0.908 191 S CB 0.371 63.597 63.200 0.042 0.000 0.781 191 S HN 1.136 nan 8.310 nan 0.000 0.519 192 S N 2.554 118.367 115.700 0.189 0.000 2.465 192 S HA 0.670 5.108 4.470 -0.054 0.000 0.279 192 S C 0.274 174.905 174.600 0.051 0.000 1.201 192 S CA -0.674 57.602 58.200 0.126 0.000 1.053 192 S CB 1.007 64.230 63.200 0.038 0.000 0.953 192 S HN 0.631 nan 8.310 nan 0.000 0.488 193 A N 3.970 126.668 122.820 -0.203 0.000 2.440 193 A HA 0.411 4.698 4.320 -0.054 0.000 0.251 193 A C 0.128 177.461 177.584 -0.417 0.000 1.089 193 A CA -0.351 51.198 52.037 -0.813 0.000 0.779 193 A CB -0.175 18.320 19.000 -0.842 0.000 1.022 193 A HN 0.860 nan 8.150 nan 0.000 0.492 194 I N 2.594 122.913 120.570 -0.419 0.000 2.337 194 I HA 0.261 4.399 4.170 -0.054 0.000 0.291 194 I C 1.058 177.051 176.117 -0.207 0.000 1.046 194 I CA -0.052 61.105 61.300 -0.238 0.000 1.324 194 I CB 0.916 38.799 38.000 -0.195 0.000 1.409 194 I HN 0.754 nan 8.210 nan 0.000 0.494 195 A N 4.787 127.520 122.820 -0.146 0.000 2.498 195 A HA 0.444 4.732 4.320 -0.054 0.000 0.239 195 A C 1.376 178.910 177.584 -0.083 0.000 1.068 195 A CA 0.586 52.558 52.037 -0.109 0.000 0.766 195 A CB -0.033 18.920 19.000 -0.079 0.000 1.003 195 A HN 1.183 nan 8.150 nan 0.000 0.497 196 G N 0.550 109.312 108.800 -0.063 0.000 2.245 196 G HA2 0.085 4.012 3.960 -0.054 0.000 0.264 196 G HA3 0.085 4.012 3.960 -0.054 0.000 0.264 196 G C 0.777 175.662 174.900 -0.026 0.000 0.985 196 G CA 0.644 45.722 45.100 -0.037 0.000 0.625 196 G HN 2.387 nan 8.290 nan 0.000 0.536 197 A N 0.541 123.331 122.820 -0.050 0.000 2.572 197 A HA 0.526 4.814 4.320 -0.054 0.000 0.256 197 A C 1.183 178.800 177.584 0.056 0.000 1.041 197 A CA 1.454 53.477 52.037 -0.023 0.000 0.790 197 A CB -0.218 18.719 19.000 -0.104 0.000 0.947 197 A HN 2.184 nan 8.150 nan 0.000 0.518 198 A N 3.687 126.563 122.820 0.093 0.000 2.386 198 A HA 0.518 4.806 4.320 -0.054 0.000 0.248 198 A C 0.770 178.481 177.584 0.211 0.000 1.082 198 A CA -0.379 51.729 52.037 0.118 0.000 0.789 198 A CB 0.184 19.241 19.000 0.094 0.000 1.025 198 A HN 1.072 nan 8.150 nan 0.000 0.490 199 Q N 1.808 121.696 119.800 0.147 0.000 2.368 199 Q HA 0.460 4.767 4.340 -0.054 0.000 0.237 199 Q C -2.671 173.289 176.000 -0.067 0.000 0.987 199 Q CA -1.830 54.018 55.803 0.076 0.000 0.896 199 Q CB -0.299 28.453 28.738 0.024 0.000 1.241 199 Q HN 0.507 nan 8.270 nan 0.000 0.485 200 P HA 0.201 nan 4.420 nan 0.000 0.282 200 P C -0.785 176.477 177.300 -0.064 0.000 1.249 200 P CA -0.326 62.641 63.100 -0.222 0.000 0.806 200 P CB 1.007 32.406 31.700 -0.501 0.000 0.984 201 T N 3.057 117.636 114.554 0.042 0.000 2.829 201 T HA 0.552 4.869 4.350 -0.054 0.000 0.282 201 T C -0.048 174.700 174.700 0.080 0.000 0.990 201 T CA -0.263 61.859 62.100 0.037 0.000 1.028 201 T CB 0.359 69.243 68.868 0.027 0.000 0.951 201 T HN 0.421 nan 8.240 nan 0.000 0.460 202 M N 2.623 122.209 119.600 -0.023 0.000 2.518 202 M HA 0.665 5.113 4.480 -0.054 0.000 0.300 202 M C -1.183 174.988 176.300 -0.214 0.000 1.175 202 M CA -0.488 54.698 55.300 -0.190 0.000 0.890 202 M CB 2.008 34.490 32.600 -0.196 0.000 1.710 202 M HN 0.590 nan 8.290 nan 0.000 0.453 203 S N 2.586 118.113 115.700 -0.288 0.000 2.546 203 S HA 0.755 5.193 4.470 -0.054 0.000 0.272 203 S C -1.856 172.653 174.600 -0.153 0.000 1.140 203 S CA -0.586 57.530 58.200 -0.140 0.000 0.920 203 S CB 1.820 65.073 63.200 0.089 0.000 1.083 203 S HN 0.560 nan 8.310 nan 0.000 0.476 204 V N 4.431 124.225 119.914 -0.200 0.000 2.448 204 V HA 0.600 4.688 4.120 -0.054 0.000 0.295 204 V C -1.200 174.795 176.094 -0.166 0.000 1.025 204 V CA -0.487 61.735 62.300 -0.130 0.000 0.859 204 V CB 1.181 32.916 31.823 -0.147 0.000 0.988 204 V HN 0.886 nan 8.190 nan 0.000 0.431 205 W N 3.199 124.490 121.300 -0.015 0.000 2.702 205 W HA 0.764 5.393 4.660 -0.052 0.000 0.331 205 W C -0.705 175.837 176.519 0.037 0.000 1.049 205 W CA -0.658 56.706 57.345 0.032 0.000 1.230 205 W CB 2.059 31.542 29.460 0.039 0.000 1.408 205 W HN 0.297 nan 8.180 nan 0.000 0.492 206 V N 3.118 123.167 119.914 0.225 0.000 2.540 206 V HA 0.301 4.389 4.120 -0.054 0.000 0.302 206 V C -0.761 175.346 176.094 0.022 0.000 1.035 206 V CA -0.966 61.359 62.300 0.041 0.000 0.873 206 V CB 1.806 33.538 31.823 -0.152 0.000 0.992 206 V HN 0.317 nan 8.190 nan 0.000 0.428 207 D N 3.221 123.586 120.400 -0.058 0.000 2.249 207 D HA 0.461 5.069 4.640 -0.054 0.000 0.246 207 D C -0.888 175.309 176.300 -0.170 0.000 1.114 207 D CA 0.291 54.299 54.000 0.012 0.000 0.854 207 D CB 0.849 41.670 40.800 0.035 0.000 1.132 207 D HN 0.401 nan 8.370 nan 0.000 0.461 208 Y N 1.287 121.591 120.300 0.006 0.000 2.409 208 Y HA 0.473 4.991 4.550 -0.053 0.000 0.339 208 Y C 0.044 175.829 175.900 -0.192 0.000 1.033 208 Y CA -1.101 56.894 58.100 -0.175 0.000 1.094 208 Y CB 1.099 39.343 38.460 -0.360 0.000 1.210 208 Y HN 0.156 nan 8.280 nan 0.000 0.456 209 I N 3.607 124.102 120.570 -0.125 0.000 2.354 209 I HA 0.279 4.417 4.170 -0.054 0.000 0.292 209 I C -1.031 174.973 176.117 -0.189 0.000 0.989 209 I CA -0.683 60.596 61.300 -0.036 0.000 1.188 209 I CB 0.312 38.258 38.000 -0.090 0.000 1.342 209 I HN 0.307 nan 8.210 nan 0.000 0.457 210 F N 6.404 126.440 119.950 0.144 0.000 2.404 210 F HA 0.524 5.019 4.527 -0.054 0.000 0.354 210 F C 0.166 176.040 175.800 0.123 0.000 1.122 210 F CA -0.473 57.586 58.000 0.097 0.000 1.080 210 F CB 0.656 39.706 39.000 0.083 0.000 1.131 210 F HN 0.166 nan 8.300 nan 0.000 0.471 211 L N 1.668 123.004 121.223 0.188 0.000 2.400 211 L HA 0.435 4.742 4.340 -0.054 0.000 0.264 211 L C -0.170 176.807 176.870 0.177 0.000 1.061 211 L CA -0.951 53.994 54.840 0.175 0.000 0.799 211 L CB 1.141 43.245 42.059 0.076 0.000 1.240 211 L HN 0.470 nan 8.230 nan 0.000 0.461 212 D N -0.958 119.546 120.400 0.173 0.000 2.283 212 D HA 0.117 4.725 4.640 -0.054 0.000 0.248 212 D C 0.948 177.321 176.300 0.122 0.000 1.072 212 D CA -0.181 53.901 54.000 0.137 0.000 0.929 212 D CB 1.528 42.406 40.800 0.130 0.000 1.182 212 D HN 0.515 nan 8.370 nan 0.000 0.433 213 T N 1.202 115.813 114.554 0.096 0.000 2.594 213 T HA -0.319 3.999 4.350 -0.054 0.000 0.266 213 T C 1.565 176.322 174.700 0.095 0.000 1.070 213 T CA 2.058 64.209 62.100 0.086 0.000 1.166 213 T CB -0.447 68.459 68.868 0.064 0.000 0.862 213 T HN 0.478 nan 8.240 nan 0.000 0.436 214 Q N 0.885 120.740 119.800 0.091 0.000 1.998 214 Q HA -0.182 4.126 4.340 -0.054 0.000 0.209 214 Q C 2.160 178.232 176.000 0.121 0.000 1.002 214 Q CA 2.357 58.215 55.803 0.091 0.000 0.858 214 Q CB -0.376 28.412 28.738 0.083 0.000 0.932 214 Q HN 0.691 nan 8.270 nan 0.000 0.416 215 E N -1.023 119.273 120.200 0.160 0.000 2.274 215 E HA -0.140 4.178 4.350 -0.054 0.000 0.194 215 E C 1.833 178.624 176.600 0.319 0.000 0.996 215 E CA 0.377 56.919 56.400 0.238 0.000 0.840 215 E CB 0.100 29.969 29.700 0.283 0.000 0.772 215 E HN 0.264 nan 8.360 nan 0.000 0.491 216 R N -0.518 120.114 120.500 0.219 0.000 2.075 216 R HA -0.041 4.267 4.340 -0.054 0.000 0.232 216 R C 2.304 178.721 176.300 0.194 0.000 1.126 216 R CA 1.705 57.922 56.100 0.194 0.000 0.963 216 R CB -0.289 30.084 30.300 0.121 0.000 0.858 216 R HN 0.094 nan 8.270 nan 0.000 0.435 217 T N 0.796 115.437 114.554 0.146 0.000 2.867 217 T HA -0.075 4.243 4.350 -0.054 0.000 0.268 217 T C 1.711 176.480 174.700 0.115 0.000 1.057 217 T CA 1.144 63.310 62.100 0.110 0.000 1.136 217 T CB -0.047 68.868 68.868 0.078 0.000 0.874 217 T HN 0.289 nan 8.240 nan 0.000 0.466 218 R N -0.202 120.379 120.500 0.135 0.000 2.093 218 R HA 0.132 4.440 4.340 -0.054 0.000 0.224 218 R C 1.983 178.362 176.300 0.132 0.000 1.101 218 R CA 0.879 57.029 56.100 0.083 0.000 0.979 218 R CB -0.396 29.927 30.300 0.039 0.000 0.877 218 R HN 0.336 nan 8.270 nan 0.000 0.441 219 F N 0.710 120.763 119.950 0.173 0.000 2.451 219 F HA -0.045 4.449 4.527 -0.054 0.000 0.299 219 F C 2.238 178.199 175.800 0.268 0.000 1.101 219 F CA 1.006 59.174 58.000 0.281 0.000 1.436 219 F CB 0.162 39.223 39.000 0.102 0.000 1.074 219 F HN 0.072 nan 8.300 nan 0.000 0.553 220 A N -1.608 121.387 122.820 0.291 0.000 2.197 220 A HA 0.045 4.333 4.320 -0.054 0.000 0.210 220 A C 2.035 179.667 177.584 0.080 0.000 1.180 220 A CA 0.241 52.374 52.037 0.160 0.000 0.846 220 A CB 0.005 19.071 19.000 0.109 0.000 0.884 220 A HN 0.182 nan 8.150 nan 0.000 0.487 221 Q N -0.233 119.601 119.800 0.057 0.000 2.178 221 Q HA 0.235 4.543 4.340 -0.054 0.000 0.195 221 Q C 0.499 176.456 176.000 -0.071 0.000 0.960 221 Q CA 0.541 56.343 55.803 -0.001 0.000 0.843 221 Q CB -0.118 28.622 28.738 0.004 0.000 0.927 221 Q HN 0.599 nan 8.270 nan 0.000 0.487 222 L N 1.937 123.073 121.223 -0.145 0.000 2.439 222 L HA 0.322 4.629 4.340 -0.054 0.000 0.261 222 L C -2.117 174.437 176.870 -0.526 0.000 1.153 222 L CA -1.977 52.695 54.840 -0.279 0.000 0.808 222 L CB -0.186 41.710 42.059 -0.272 0.000 1.126 222 L HN -0.081 nan 8.230 nan 0.000 0.460 223 P HA 0.240 nan 4.420 nan 0.000 0.278 223 P C -1.160 175.832 177.300 -0.513 0.000 1.238 223 P CA -0.089 62.795 63.100 -0.359 0.000 0.794 223 P CB 0.639 32.230 31.700 -0.181 0.000 0.955 224 H N 0.916 119.964 119.070 -0.036 0.000 2.690 224 H HA 0.435 4.959 4.556 -0.053 0.000 0.368 224 H C -0.465 174.824 175.328 -0.064 0.000 1.150 224 H CA -0.408 55.590 56.048 -0.082 0.000 1.174 224 H CB 2.039 31.840 29.762 0.065 0.000 1.684 224 H HN 0.439 nan 8.280 nan 0.000 0.538 225 E N 2.202 122.356 120.200 -0.077 0.000 2.244 225 E HA 0.261 4.579 4.350 -0.054 0.000 0.260 225 E C -1.192 175.284 176.600 -0.207 0.000 0.884 225 E CA -0.516 55.852 56.400 -0.054 0.000 0.777 225 E CB 1.926 31.593 29.700 -0.055 0.000 1.197 225 E HN 0.388 nan 8.360 nan 0.000 0.416 226 Y N 1.553 121.856 120.300 0.005 0.000 2.377 226 Y HA 0.273 4.790 4.550 -0.054 0.000 0.339 226 Y C -0.084 175.792 175.900 -0.040 0.000 1.011 226 Y CA -0.951 57.143 58.100 -0.010 0.000 1.093 226 Y CB 1.389 39.834 38.460 -0.024 0.000 1.201 226 Y HN 0.342 nan 8.280 nan 0.000 0.455 227 L N 6.982 128.273 121.223 0.113 0.000 2.270 227 L HA 0.394 4.702 4.340 -0.054 0.000 0.286 227 L C -0.725 176.225 176.870 0.134 0.000 1.059 227 L CA -0.362 54.532 54.840 0.090 0.000 0.839 227 L CB -0.450 41.632 42.059 0.038 0.000 1.221 227 L HN 0.661 nan 8.230 nan 0.000 0.431 228 I N 2.017 122.603 120.570 0.028 0.000 3.217 228 I HA 0.597 4.734 4.170 -0.054 0.000 0.308 228 I C -0.475 175.665 176.117 0.038 0.000 1.091 228 I CA -0.695 60.566 61.300 -0.065 0.000 1.013 228 I CB 1.805 39.362 38.000 -0.739 0.000 1.250 228 I HN 0.514 nan 8.210 nan 0.000 0.496 229 E N 0.660 120.877 120.200 0.029 0.000 2.249 229 E HA 0.617 4.935 4.350 -0.054 0.000 0.263 229 E C -1.141 175.477 176.600 0.029 0.000 0.950 229 E CA -0.716 55.642 56.400 -0.070 0.000 0.827 229 E CB 2.205 31.818 29.700 -0.144 0.000 1.220 229 E HN 0.535 nan 8.360 nan 0.000 0.411 230 Q N 0.676 120.454 119.800 -0.037 0.000 2.462 230 Q HA 0.458 4.765 4.340 -0.054 0.000 0.285 230 Q C -1.493 174.481 176.000 -0.043 0.000 1.035 230 Q CA -0.859 54.967 55.803 0.039 0.000 0.799 230 Q CB 2.391 31.144 28.738 0.024 0.000 1.452 230 Q HN 0.270 nan 8.270 nan 0.000 0.404 231 L N 1.337 122.573 121.223 0.022 0.000 2.325 231 L HA 0.533 4.840 4.340 -0.054 0.000 0.278 231 L C -1.313 175.570 176.870 0.022 0.000 1.023 231 L CA -0.287 54.479 54.840 -0.124 0.000 0.811 231 L CB 1.788 43.724 42.059 -0.206 0.000 1.249 231 L HN 0.782 nan 8.230 nan 0.000 0.431 232 Q N 3.972 123.762 119.800 -0.016 0.000 2.356 232 Q HA 0.544 4.852 4.340 -0.054 0.000 0.270 232 Q C -1.744 174.446 176.000 0.316 0.000 1.058 232 Q CA -0.486 55.406 55.803 0.147 0.000 0.802 232 Q CB 3.283 32.056 28.738 0.059 0.000 1.303 232 Q HN 0.517 nan 8.270 nan 0.000 0.444 233 F N -0.024 120.024 119.950 0.164 0.000 2.686 233 F HA 0.703 5.199 4.527 -0.052 0.000 0.311 233 F C -1.650 174.121 175.800 -0.048 0.000 1.128 233 F CA -0.315 57.694 58.000 0.015 0.000 0.946 233 F CB 2.332 41.276 39.000 -0.095 0.000 1.336 233 F HN 0.440 nan 8.300 nan 0.000 0.457 234 T N 1.883 115.478 114.554 -1.600 0.000 3.393 234 T HA 0.510 4.828 4.350 -0.054 0.000 0.359 234 T C -0.886 173.035 174.700 -1.298 0.000 1.380 234 T CA -0.380 60.947 62.100 -1.288 0.000 1.132 234 T CB 1.376 69.895 68.868 -0.583 0.000 1.284 234 T HN 0.974 nan 8.240 nan 0.000 0.477 235 G N 1.882 110.140 108.800 -0.904 0.000 2.338 235 G HA2 0.537 4.465 3.960 -0.054 0.000 0.295 235 G HA3 0.537 4.465 3.960 -0.054 0.000 0.295 235 G C -0.262 174.539 174.900 -0.164 0.000 1.132 235 G CA -0.224 44.683 45.100 -0.321 0.000 0.922 235 G HN 0.634 nan 8.290 nan 0.000 0.427 236 S N 1.005 116.652 115.700 -0.088 0.000 2.681 236 S HA 0.480 4.918 4.470 -0.054 0.000 0.299 236 S C -0.449 174.169 174.600 0.030 0.000 1.113 236 S CA -0.736 57.437 58.200 -0.045 0.000 1.013 236 S CB 1.827 64.993 63.200 -0.056 0.000 1.076 236 S HN 0.564 nan 8.310 nan 0.000 0.534 237 E N 2.097 122.320 120.200 0.038 0.000 2.109 237 E HA 0.308 4.626 4.350 -0.054 0.000 0.278 237 E C -0.368 176.289 176.600 0.095 0.000 0.954 237 E CA -0.224 56.214 56.400 0.064 0.000 0.779 237 E CB 1.377 31.099 29.700 0.036 0.000 1.093 237 E HN 0.449 nan 8.360 nan 0.000 0.401 238 T N 1.489 116.124 114.554 0.134 0.000 2.813 238 T HA 0.413 4.731 4.350 -0.054 0.000 0.297 238 T C 0.117 174.781 174.700 -0.061 0.000 1.036 238 T CA -0.242 61.929 62.100 0.119 0.000 1.044 238 T CB 0.738 69.716 68.868 0.183 0.000 0.993 238 T HN 0.454 nan 8.240 nan 0.000 0.535 239 A N 2.121 124.792 122.820 -0.248 0.000 3.300 239 A HA 0.497 4.785 4.320 -0.054 0.000 0.300 239 A C 0.450 177.770 177.584 -0.440 0.000 1.099 239 A CA -0.861 51.042 52.037 -0.223 0.000 0.846 239 A CB -0.003 18.969 19.000 -0.047 0.000 1.255 239 A HN 0.830 nan 8.150 nan 0.000 0.519 240 T N 0.674 114.879 114.554 -0.581 0.000 2.884 240 T HA 0.507 4.825 4.350 -0.054 0.000 0.298 240 T C -2.189 172.396 174.700 -0.191 0.000 0.998 240 T CA -1.534 60.248 62.100 -0.529 0.000 1.124 240 T CB 0.635 69.236 68.868 -0.445 0.000 0.931 240 T HN 0.354 nan 8.240 nan 0.000 0.531 241 P HA 0.165 nan 4.420 nan 0.000 0.269 241 P C 0.702 177.989 177.300 -0.022 0.000 1.263 241 P CA -0.257 62.831 63.100 -0.020 0.000 0.813 241 P CB 0.701 32.417 31.700 0.027 0.000 0.868 242 S N 2.321 118.006 115.700 -0.025 0.000 2.440 242 S HA 0.051 4.489 4.470 -0.054 0.000 0.240 242 S C 1.048 175.643 174.600 -0.008 0.000 1.014 242 S CA 1.393 59.581 58.200 -0.019 0.000 0.980 242 S CB -0.355 62.836 63.200 -0.016 0.000 0.775 242 S HN 0.895 nan 8.310 nan 0.000 0.499 243 A N -1.394 121.425 122.820 -0.002 0.000 2.395 243 A HA 0.458 4.746 4.320 -0.054 0.000 0.297 243 A C 0.778 178.366 177.584 0.007 0.000 0.966 243 A CA -0.181 51.858 52.037 0.004 0.000 0.570 243 A CB -0.884 18.117 19.000 0.002 0.000 1.447 243 A HN 0.274 nan 8.150 nan 0.000 0.511 244 T N -1.170 113.388 114.554 0.008 0.000 8.887 244 T HA -0.214 4.103 4.350 -0.054 0.000 0.391 244 T C 0.600 175.307 174.700 0.011 0.000 1.631 244 T CA 2.881 64.986 62.100 0.008 0.000 2.536 244 T CB -1.431 67.441 68.868 0.006 0.000 2.919 244 T HN 2.197 nan 8.240 nan 0.000 1.260 245 T N 0.112 114.675 114.554 0.014 0.000 2.868 245 T HA 0.500 4.818 4.350 -0.054 0.000 0.306 245 T C -2.021 172.697 174.700 0.030 0.000 1.224 245 T CA -0.741 61.371 62.100 0.019 0.000 1.012 245 T CB 1.878 70.756 68.868 0.018 0.000 1.221 245 T HN 0.163 nan 8.240 nan 0.000 0.499 246 Q N 1.982 121.805 119.800 0.038 0.000 2.357 246 Q HA 0.642 4.950 4.340 -0.054 0.000 0.266 246 Q C -0.212 175.834 176.000 0.077 0.000 1.021 246 Q CA -0.781 55.057 55.803 0.059 0.000 0.784 246 Q CB 1.840 30.603 28.738 0.042 0.000 1.243 246 Q HN 0.804 nan 8.270 nan 0.000 0.465 247 A N 2.341 125.242 122.820 0.135 0.000 2.310 247 A HA 0.647 4.934 4.320 -0.054 0.000 0.260 247 A C 0.160 177.858 177.584 0.190 0.000 1.112 247 A CA -0.004 52.135 52.037 0.170 0.000 0.804 247 A CB 0.604 19.720 19.000 0.194 0.000 1.081 247 A HN 0.761 nan 8.150 nan 0.000 0.499 248 S N -1.168 114.619 115.700 0.146 0.000 2.588 248 S HA 0.707 5.145 4.470 -0.054 0.000 0.269 248 S C -1.069 173.562 174.600 0.052 0.000 1.157 248 S CA -0.760 57.449 58.200 0.014 0.000 0.824 248 S CB 1.341 64.521 63.200 -0.034 0.000 1.126 248 S HN 0.865 nan 8.310 nan 0.000 0.464 249 Q N 0.315 120.098 119.800 -0.028 0.000 2.707 249 Q HA 0.549 4.857 4.340 -0.054 0.000 0.307 249 Q C -1.709 174.255 176.000 -0.060 0.000 0.934 249 Q CA -1.166 54.639 55.803 0.004 0.000 0.753 249 Q CB 1.600 30.392 28.738 0.089 0.000 1.478 249 Q HN 0.713 nan 8.270 nan 0.000 0.458 250 N N 1.089 119.756 118.700 -0.054 0.000 2.710 250 N HA 0.279 4.987 4.740 -0.054 0.000 0.244 250 N C -1.531 173.927 175.510 -0.086 0.000 1.321 250 N CA -0.144 52.855 53.050 -0.085 0.000 0.758 250 N CB 1.035 39.476 38.487 -0.077 0.000 1.284 250 N HN 0.428 nan 8.380 nan 0.000 0.530 251 I N 1.580 122.087 120.570 -0.106 0.000 2.421 251 I HA 0.067 4.205 4.170 -0.054 0.000 0.291 251 I C 1.139 177.174 176.117 -0.137 0.000 1.089 251 I CA -0.189 61.041 61.300 -0.117 0.000 1.354 251 I CB 0.118 38.038 38.000 -0.134 0.000 1.413 251 I HN 0.080 nan 8.210 nan 0.000 0.513 252 R N 7.330 127.752 120.500 -0.129 0.000 2.357 252 R HA 0.278 4.586 4.340 -0.054 0.000 0.330 252 R C -0.865 175.322 176.300 -0.190 0.000 1.102 252 R CA 0.006 56.028 56.100 -0.131 0.000 0.974 252 R CB -0.358 29.875 30.300 -0.111 0.000 1.002 252 R HN 0.571 nan 8.270 nan 0.000 0.463 253 L N 3.641 124.748 121.223 -0.194 0.000 2.456 253 L HA 0.164 4.472 4.340 -0.054 0.000 0.272 253 L C 0.858 177.494 176.870 -0.389 0.000 1.189 253 L CA 0.070 54.688 54.840 -0.371 0.000 0.846 253 L CB 0.433 42.398 42.059 -0.156 0.000 1.111 253 L HN 0.658 nan 8.230 nan 0.000 0.475 254 N N 3.532 121.823 118.700 -0.682 0.000 2.844 254 N HA 0.341 5.049 4.740 -0.054 0.000 0.268 254 N C -1.221 174.048 175.510 -0.401 0.000 1.574 254 N CA -0.154 52.656 53.050 -0.400 0.000 0.838 254 N CB 0.382 38.693 38.487 -0.294 0.000 1.177 254 N HN 0.382 nan 8.380 nan 0.000 0.495 255 F N 0.221 120.163 119.950 -0.013 0.000 2.613 255 F HA 0.542 5.037 4.527 -0.053 0.000 0.342 255 F C 0.654 176.431 175.800 -0.037 0.000 1.066 255 F CA -0.976 56.948 58.000 -0.127 0.000 1.002 255 F CB 1.607 40.315 39.000 -0.486 0.000 1.319 255 F HN 0.079 nan 8.300 nan 0.000 0.495 256 N N -1.375 117.382 118.700 0.096 0.000 2.972 256 N HA 0.359 5.067 4.740 -0.054 0.000 0.262 256 N C -1.437 174.026 175.510 -0.077 0.000 1.478 256 N CA -0.696 52.307 53.050 -0.079 0.000 0.841 256 N CB 1.308 39.539 38.487 -0.427 0.000 1.512 256 N HN 0.628 nan 8.380 nan 0.000 0.548 257 H N -2.271 116.862 119.070 0.104 0.000 4.396 257 H HA -0.110 4.414 4.556 -0.054 0.000 0.255 257 H C -2.717 172.659 175.328 0.078 0.000 0.574 257 H CA 0.101 56.177 56.048 0.047 0.000 0.744 257 H CB -1.963 27.816 29.762 0.029 0.000 0.934 257 H HN 0.393 nan 8.280 nan 0.000 0.417 258 P HA 0.099 nan 4.420 nan 0.000 0.270 258 P C -0.345 177.066 177.300 0.186 0.000 1.242 258 P CA 0.559 63.761 63.100 0.170 0.000 0.768 258 P CB 0.430 32.217 31.700 0.145 0.000 0.820 259 T N 4.041 118.693 114.554 0.163 0.000 2.771 259 T HA 0.193 4.510 4.350 -0.054 0.000 0.281 259 T C 1.220 176.076 174.700 0.259 0.000 0.982 259 T CA -0.630 61.519 62.100 0.082 0.000 0.978 259 T CB 1.370 70.191 68.868 -0.077 0.000 0.930 259 T HN 0.262 nan 8.240 nan 0.000 0.447 260 K N 1.878 122.367 120.400 0.148 0.000 2.116 260 K HA 0.084 4.372 4.320 -0.054 0.000 0.203 260 K C 0.076 176.972 176.600 0.492 0.000 1.052 260 K CA 0.982 57.447 56.287 0.297 0.000 0.952 260 K CB 0.057 32.632 32.500 0.124 0.000 0.729 260 K HN 0.772 nan 8.250 nan 0.000 0.446 261 Y N -2.207 118.308 120.300 0.359 0.000 2.774 261 Y HA 0.479 4.999 4.550 -0.051 0.000 0.346 261 Y C -1.861 174.177 175.900 0.231 0.000 1.222 261 Y CA -1.767 56.461 58.100 0.213 0.000 1.088 261 Y CB 0.834 39.373 38.460 0.133 0.000 1.354 261 Y HN -0.297 nan 8.280 nan 0.000 0.455 262 L N 2.171 123.720 121.223 0.544 0.000 2.362 262 L HA 0.987 5.294 4.340 -0.054 0.000 0.271 262 L C -0.596 176.710 176.870 0.727 0.000 1.002 262 L CA -1.266 53.901 54.840 0.545 0.000 0.818 262 L CB 2.052 44.467 42.059 0.593 0.000 1.298 262 L HN 0.981 nan 8.230 nan 0.000 0.420 263 A N 2.600 125.849 122.820 0.715 0.000 2.422 263 A HA 0.828 5.116 4.320 -0.054 0.000 0.302 263 A C -1.797 176.206 177.584 0.698 0.000 1.041 263 A CA -0.397 51.986 52.037 0.578 0.000 0.708 263 A CB 1.289 20.667 19.000 0.630 0.000 1.257 263 A HN 0.793 nan 8.150 nan 0.000 0.414 264 W N 2.091 123.558 121.300 0.278 0.000 3.075 264 W HA 0.751 5.382 4.660 -0.049 0.000 0.334 264 W C -1.091 175.463 176.519 0.058 0.000 1.243 264 W CA -0.493 56.946 57.345 0.156 0.000 1.170 264 W CB 1.056 30.521 29.460 0.008 0.000 1.452 264 W HN 0.894 nan 8.180 nan 0.000 0.572 265 N N 0.254 118.993 118.700 0.065 0.000 2.484 265 N HA 0.515 5.223 4.740 -0.054 0.000 0.269 265 N C -2.173 173.253 175.510 -0.141 0.000 1.237 265 N CA -0.816 52.153 53.050 -0.134 0.000 0.838 265 N CB 2.155 40.263 38.487 -0.633 0.000 1.593 265 N HN 0.393 nan 8.380 nan 0.000 0.485 266 F N 0.979 121.099 119.950 0.283 0.000 2.361 266 F HA 0.393 4.886 4.527 -0.055 0.000 0.364 266 F C 0.596 176.581 175.800 0.308 0.000 1.117 266 F CA -0.771 57.405 58.000 0.292 0.000 1.071 266 F CB 1.147 40.329 39.000 0.303 0.000 1.188 266 F HN 0.486 nan 8.300 nan 0.000 0.464 267 N N 2.754 121.709 118.700 0.426 0.000 2.335 267 N HA 0.191 4.899 4.740 -0.054 0.000 0.304 267 N C -1.454 174.202 175.510 0.244 0.000 1.135 267 N CA -0.609 52.677 53.050 0.394 0.000 0.817 267 N CB 1.897 40.655 38.487 0.452 0.000 1.294 267 N HN 0.777 nan 8.380 nan 0.000 0.497 268 N N 2.903 121.704 118.700 0.169 0.000 2.469 268 N HA 0.193 4.901 4.740 -0.054 0.000 0.239 268 N C -1.826 173.749 175.510 0.108 0.000 1.053 268 N CA -1.812 51.307 53.050 0.114 0.000 0.937 268 N CB 1.067 39.596 38.487 0.071 0.000 1.163 268 N HN 0.375 nan 8.380 nan 0.000 0.509 269 P HA -0.219 nan 4.420 nan 0.000 0.219 269 P C 1.012 178.374 177.300 0.103 0.000 1.153 269 P CA 1.549 64.719 63.100 0.117 0.000 0.865 269 P CB 0.204 31.964 31.700 0.101 0.000 0.788 270 T N -1.101 113.503 114.554 0.082 0.000 2.665 270 T HA -0.108 4.210 4.350 -0.054 0.000 0.268 270 T C 0.841 175.603 174.700 0.104 0.000 1.035 270 T CA 1.263 63.408 62.100 0.075 0.000 1.151 270 T CB -0.677 68.228 68.868 0.062 0.000 0.862 270 T HN 0.155 nan 8.240 nan 0.000 0.438 271 N N 0.592 119.358 118.700 0.110 0.000 2.419 271 N HA 0.220 4.927 4.740 -0.054 0.000 0.277 271 N C 0.181 175.783 175.510 0.153 0.000 1.006 271 N CA -0.437 52.699 53.050 0.143 0.000 0.923 271 N CB 1.425 39.958 38.487 0.078 0.000 1.140 271 N HN 0.073 nan 8.380 nan 0.000 0.488 272 Y N 3.197 123.549 120.300 0.087 0.000 1.885 272 Y HA -0.242 4.275 4.550 -0.055 0.000 0.233 272 Y C 1.806 177.711 175.900 0.009 0.000 1.104 272 Y CA 2.340 60.495 58.100 0.091 0.000 1.045 272 Y CB -0.663 37.898 38.460 0.167 0.000 0.906 272 Y HN 0.606 nan 8.280 nan 0.000 0.508 273 G N 0.544 109.143 108.800 -0.336 0.000 3.591 273 G HA2 0.075 4.003 3.960 -0.054 0.000 0.282 273 G HA3 0.075 4.003 3.960 -0.054 0.000 0.282 273 G C -0.151 174.248 174.900 -0.834 0.000 1.238 273 G CA -0.332 44.309 45.100 -0.764 0.000 0.993 273 G HN 0.422 nan 8.290 nan 0.000 0.542 274 Q N 0.565 120.081 119.800 -0.474 0.000 2.369 274 Q HA 0.200 4.508 4.340 -0.054 0.000 0.247 274 Q C -0.410 175.503 176.000 -0.145 0.000 1.083 274 Q CA -0.277 55.355 55.803 -0.285 0.000 0.905 274 Q CB 0.331 28.998 28.738 -0.117 0.000 1.305 274 Q HN 0.668 nan 8.270 nan 0.000 0.465 275 Y N 1.448 121.756 120.300 0.012 0.000 2.531 275 Y HA 0.222 4.739 4.550 -0.056 0.000 0.249 275 Y C 0.538 176.489 175.900 0.085 0.000 1.168 275 Y CA -0.518 57.625 58.100 0.072 0.000 1.226 275 Y CB 1.622 40.104 38.460 0.037 0.000 1.177 275 Y HN 0.359 nan 8.280 nan 0.000 0.527 276 T N 0.415 115.058 114.554 0.148 0.000 2.916 276 T HA 0.690 5.008 4.350 -0.054 0.000 0.292 276 T C -0.529 174.200 174.700 0.049 0.000 1.064 276 T CA -0.657 61.499 62.100 0.094 0.000 1.011 276 T CB 1.477 70.367 68.868 0.036 0.000 1.152 276 T HN 0.147 nan 8.240 nan 0.000 0.510 277 A N 2.084 124.928 122.820 0.041 0.000 2.371 277 A HA 0.653 4.941 4.320 -0.054 0.000 0.257 277 A C -0.132 177.445 177.584 -0.011 0.000 1.089 277 A CA -0.364 51.683 52.037 0.017 0.000 0.794 277 A CB -0.124 18.888 19.000 0.019 0.000 1.029 277 A HN 0.777 nan 8.150 nan 0.000 0.488 278 L N 1.390 122.597 121.223 -0.026 0.000 2.349 278 L HA 0.551 4.859 4.340 -0.054 0.000 0.275 278 L C 0.592 177.442 176.870 -0.033 0.000 1.115 278 L CA -0.056 54.755 54.840 -0.047 0.000 0.820 278 L CB 0.986 43.007 42.059 -0.063 0.000 1.135 278 L HN 0.841 nan 8.230 nan 0.000 0.445 279 A N 2.454 125.252 122.820 -0.036 0.000 2.566 279 A HA 0.395 4.683 4.320 -0.054 0.000 0.292 279 A C -0.523 177.045 177.584 -0.027 0.000 1.112 279 A CA -0.680 51.343 52.037 -0.024 0.000 0.707 279 A CB 1.352 20.343 19.000 -0.014 0.000 1.302 279 A HN 0.624 nan 8.150 nan 0.000 0.409 280 N N 1.034 119.723 118.700 -0.019 0.000 3.254 280 N HA 0.264 4.971 4.740 -0.054 0.000 0.308 280 N C -1.010 174.491 175.510 -0.014 0.000 1.281 280 N CA 0.421 53.461 53.050 -0.018 0.000 1.212 280 N CB -0.703 37.776 38.487 -0.012 0.000 1.478 280 N HN 0.512 nan 8.380 nan 0.000 0.548 281 I N 1.105 121.665 120.570 -0.017 0.000 2.582 281 I HA 0.310 4.448 4.170 -0.054 0.000 0.292 281 I C -2.285 173.823 176.117 -0.015 0.000 1.066 281 I CA -2.448 58.845 61.300 -0.011 0.000 1.053 281 I CB 2.708 40.703 38.000 -0.007 0.000 1.241 281 I HN -0.051 nan 8.210 nan 0.000 0.421 282 P HA -0.042 nan 4.420 nan 0.000 0.255 282 P C 0.765 178.057 177.300 -0.013 0.000 1.161 282 P CA 1.222 64.317 63.100 -0.008 0.000 0.768 282 P CB 0.220 31.920 31.700 -0.000 0.000 0.746 283 G N 3.416 112.202 108.800 -0.023 0.000 2.225 283 G HA2 -0.322 3.605 3.960 -0.054 0.000 0.254 283 G HA3 -0.322 3.605 3.960 -0.054 0.000 0.254 283 G C 0.947 175.811 174.900 -0.061 0.000 0.988 283 G CA 0.241 45.321 45.100 -0.033 0.000 0.625 283 G HN 0.697 nan 8.290 nan 0.000 0.527 284 A N -0.788 121.998 122.820 -0.056 0.000 2.275 284 A HA 0.621 4.909 4.320 -0.054 0.000 0.212 284 A C 1.319 178.849 177.584 -0.090 0.000 1.201 284 A CA 1.861 53.857 52.037 -0.069 0.000 0.843 284 A CB -0.493 18.481 19.000 -0.043 0.000 0.873 284 A HN 2.297 nan 8.150 nan 0.000 0.492 285 C N -3.491 115.752 119.300 -0.095 0.000 3.253 285 C HA 0.626 5.054 4.460 -0.054 0.000 0.342 285 C C 0.021 174.946 174.990 -0.109 0.000 1.306 285 C CA -0.331 58.617 59.018 -0.115 0.000 1.207 285 C CB 0.531 28.223 27.740 -0.081 0.000 1.479 285 C HN 0.382 nan 8.230 nan 0.000 0.469 286 S N 0.634 116.257 115.700 -0.128 0.000 2.515 286 S HA 0.433 4.871 4.470 -0.054 0.000 0.285 286 S C 1.488 176.061 174.600 -0.044 0.000 1.265 286 S CA 1.824 59.971 58.200 -0.088 0.000 1.079 286 S CB -0.605 62.546 63.200 -0.081 0.000 0.877 286 S HN 2.970 nan 8.310 nan 0.000 0.493 287 G N 3.213 111.996 108.800 -0.027 0.000 2.148 287 G HA2 -0.181 3.746 3.960 -0.054 0.000 0.254 287 G HA3 -0.181 3.746 3.960 -0.054 0.000 0.254 287 G C 0.365 175.255 174.900 -0.017 0.000 0.981 287 G CA 0.132 45.223 45.100 -0.015 0.000 0.670 287 G HN 1.567 nan 8.290 nan 0.000 0.528 288 A N -0.530 122.275 122.820 -0.025 0.000 2.587 288 A HA 0.550 4.838 4.320 -0.054 0.000 0.235 288 A C 2.197 179.773 177.584 -0.013 0.000 1.044 288 A CA 2.262 54.286 52.037 -0.022 0.000 0.754 288 A CB -0.205 18.777 19.000 -0.029 0.000 0.968 288 A HN 2.461 nan 8.150 nan 0.000 0.509 289 G N 0.764 109.558 108.800 -0.010 0.000 2.225 289 G HA2 -0.171 3.757 3.960 -0.054 0.000 0.254 289 G HA3 -0.171 3.757 3.960 -0.054 0.000 0.254 289 G C 0.602 175.500 174.900 -0.004 0.000 0.988 289 G CA 1.144 46.240 45.100 -0.006 0.000 0.625 289 G HN 1.564 nan 8.290 nan 0.000 0.527 290 T N -1.542 113.009 114.554 -0.005 0.000 2.762 290 T HA 0.720 5.038 4.350 -0.054 0.000 0.272 290 T C 1.634 176.332 174.700 -0.004 0.000 0.982 290 T CA 0.821 62.919 62.100 -0.003 0.000 1.013 290 T CB 1.216 70.082 68.868 -0.002 0.000 1.309 290 T HN 1.086 nan 8.240 nan 0.000 0.572 291 A N 0.051 122.870 122.820 -0.002 0.000 2.119 291 A HA 0.385 4.672 4.320 -0.054 0.000 0.217 291 A C 1.956 179.539 177.584 -0.002 0.000 1.153 291 A CA 1.491 53.527 52.037 -0.002 0.000 0.692 291 A CB -0.754 18.245 19.000 -0.001 0.000 0.799 291 A HN 0.850 nan 8.150 nan 0.000 0.458 292 A N -0.640 122.179 122.820 -0.002 0.000 2.275 292 A HA 0.623 4.911 4.320 -0.054 0.000 0.212 292 A C 1.206 178.787 177.584 -0.005 0.000 1.201 292 A CA 0.492 52.528 52.037 -0.002 0.000 0.843 292 A CB -0.735 18.265 19.000 0.000 0.000 0.873 292 A HN 0.923 nan 8.150 nan 0.000 0.492 293 A N 0.477 123.292 122.820 -0.008 0.000 2.567 293 A HA 0.440 4.728 4.320 -0.054 0.000 0.240 293 A C 0.239 177.814 177.584 -0.015 0.000 1.053 293 A CA 0.847 52.876 52.037 -0.014 0.000 0.755 293 A CB -0.329 18.663 19.000 -0.013 0.000 0.978 293 A HN 0.323 nan 8.150 nan 0.000 0.507 294 T N 3.004 117.545 114.554 -0.022 0.000 2.965 294 T HA 0.297 4.615 4.350 -0.054 0.000 0.306 294 T C 0.665 175.344 174.700 -0.035 0.000 0.991 294 T CA -0.472 61.615 62.100 -0.022 0.000 1.001 294 T CB 1.378 70.236 68.868 -0.016 0.000 0.984 294 T HN 0.375 nan 8.240 nan 0.000 0.446 295 V N 2.788 122.685 119.914 -0.029 0.000 3.444 295 V HA -0.053 4.035 4.120 -0.054 0.000 0.271 295 V C 2.082 178.155 176.094 -0.035 0.000 1.188 295 V CA 1.397 63.676 62.300 -0.034 0.000 1.168 295 V CB -0.853 30.957 31.823 -0.023 0.000 0.810 295 V HN 0.915 nan 8.190 nan 0.000 0.500 296 T N -0.768 113.768 114.554 -0.030 0.000 3.009 296 T HA 0.022 4.340 4.350 -0.054 0.000 0.258 296 T C 0.922 175.601 174.700 -0.034 0.000 1.063 296 T CA 0.850 62.938 62.100 -0.021 0.000 1.139 296 T CB 0.140 69.005 68.868 -0.005 0.000 0.890 296 T HN 0.490 nan 8.240 nan 0.000 0.471 297 T N 3.820 118.337 114.554 -0.062 0.000 2.856 297 T HA 0.459 4.777 4.350 -0.054 0.000 0.283 297 T C -2.694 171.855 174.700 -0.250 0.000 1.008 297 T CA -1.491 60.537 62.100 -0.121 0.000 0.997 297 T CB 2.365 71.196 68.868 -0.062 0.000 0.992 297 T HN -0.002 nan 8.240 nan 0.000 0.454 298 P HA 0.235 nan 4.420 nan 0.000 0.279 298 P C -0.808 176.097 177.300 -0.657 0.000 1.252 298 P CA -0.462 62.346 63.100 -0.487 0.000 0.811 298 P CB 0.877 32.294 31.700 -0.472 0.000 1.035 299 D N 1.110 121.280 120.400 -0.384 0.000 2.508 299 D HA 0.027 4.634 4.640 -0.054 0.000 0.224 299 D C 0.956 177.118 176.300 -0.230 0.000 1.171 299 D CA -0.388 53.464 54.000 -0.248 0.000 1.006 299 D CB -0.744 39.980 40.800 -0.127 0.000 1.073 299 D HN 0.195 nan 8.370 nan 0.000 0.513 300 Y N 1.573 121.842 120.300 -0.051 0.000 2.108 300 Y HA -0.317 4.200 4.550 -0.055 0.000 0.274 300 Y C 2.589 178.483 175.900 -0.011 0.000 1.229 300 Y CA 1.575 59.646 58.100 -0.048 0.000 1.129 300 Y CB -0.507 37.973 38.460 0.034 0.000 0.946 300 Y HN 0.462 nan 8.280 nan 0.000 0.509 301 G N -0.686 108.237 108.800 0.205 0.000 2.470 301 G HA2 -0.187 3.740 3.960 -0.054 0.000 0.220 301 G HA3 -0.187 3.740 3.960 -0.054 0.000 0.220 301 G C 0.781 175.787 174.900 0.177 0.000 1.121 301 G CA 0.874 46.108 45.100 0.223 0.000 0.766 301 G HN 0.322 nan 8.290 nan 0.000 0.553 302 N N 0.086 118.802 118.700 0.026 0.000 2.644 302 N HA 0.130 4.838 4.740 -0.054 0.000 0.313 302 N C 0.742 176.147 175.510 -0.175 0.000 1.863 302 N CA -0.114 52.926 53.050 -0.017 0.000 0.918 302 N CB 0.947 39.433 38.487 -0.002 0.000 1.320 302 N HN -0.075 nan 8.380 nan 0.000 0.490 303 T N -0.964 113.325 114.554 -0.441 0.000 2.962 303 T HA -0.023 4.295 4.350 -0.054 0.000 0.270 303 T C 1.238 175.727 174.700 -0.351 0.000 1.088 303 T CA 0.752 62.514 62.100 -0.564 0.000 1.127 303 T CB 0.117 68.330 68.868 -1.092 0.000 0.883 303 T HN 0.375 nan 8.240 nan 0.000 0.493 304 G N 0.358 109.034 108.800 -0.206 0.000 2.528 304 G HA2 0.547 4.475 3.960 -0.054 0.000 0.289 304 G HA3 0.547 4.475 3.960 -0.054 0.000 0.289 304 G C -0.649 174.143 174.900 -0.179 0.000 1.192 304 G CA -0.316 44.704 45.100 -0.133 0.000 0.921 304 G HN 0.254 nan 8.290 nan 0.000 0.512 305 T N -1.609 112.795 114.554 -0.250 0.000 2.792 305 T HA 0.328 4.646 4.350 -0.054 0.000 0.303 305 T C -0.642 173.825 174.700 -0.389 0.000 1.310 305 T CA -0.369 61.585 62.100 -0.244 0.000 1.007 305 T CB 1.446 70.257 68.868 -0.094 0.000 1.335 305 T HN 0.455 nan 8.240 nan 0.000 0.504 306 Y N -0.348 119.954 120.300 0.004 0.000 2.471 306 Y HA 0.330 4.840 4.550 -0.066 0.000 0.249 306 Y C 1.244 177.141 175.900 -0.005 0.000 1.116 306 Y CA -0.685 57.410 58.100 -0.009 0.000 1.240 306 Y CB 0.801 39.254 38.460 -0.011 0.000 1.251 306 Y HN 0.408 nan 8.280 nan 0.000 0.527 307 N N 2.212 120.975 118.700 0.106 0.000 2.402 307 N HA -0.066 4.642 4.740 -0.054 0.000 0.259 307 N C 1.035 176.584 175.510 0.065 0.000 1.167 307 N CA 0.397 53.492 53.050 0.075 0.000 0.949 307 N CB 0.896 39.412 38.487 0.048 0.000 1.212 307 N HN 0.283 nan 8.380 nan 0.000 0.493 308 E N 2.821 123.066 120.200 0.074 0.000 2.265 308 E HA -0.217 4.101 4.350 -0.054 0.000 0.196 308 E C 1.279 177.928 176.600 0.082 0.000 0.996 308 E CA 1.207 57.657 56.400 0.085 0.000 0.832 308 E CB 0.094 29.849 29.700 0.091 0.000 0.756 308 E HN 0.591 nan 8.360 nan 0.000 0.491 309 Q N -0.115 119.723 119.800 0.063 0.000 2.364 309 Q HA -0.006 4.302 4.340 -0.054 0.000 0.209 309 Q C 1.228 177.260 176.000 0.053 0.000 0.977 309 Q CA 1.123 56.959 55.803 0.054 0.000 0.885 309 Q CB -0.025 28.737 28.738 0.040 0.000 0.941 309 Q HN 0.474 nan 8.270 nan 0.000 0.464 310 L N -0.550 120.706 121.223 0.055 0.000 2.640 310 L HA 0.445 4.752 4.340 -0.054 0.000 0.230 310 L C 0.351 177.267 176.870 0.077 0.000 1.123 310 L CA -0.230 54.640 54.840 0.050 0.000 0.900 310 L CB 0.057 42.134 42.059 0.030 0.000 1.146 310 L HN 0.055 nan 8.230 nan 0.000 0.484 311 A N 0.268 123.153 122.820 0.109 0.000 2.293 311 A HA 0.443 4.730 4.320 -0.054 0.000 0.302 311 A C 1.041 178.718 177.584 0.154 0.000 1.119 311 A CA -0.237 51.902 52.037 0.170 0.000 0.823 311 A CB 1.223 20.361 19.000 0.230 0.000 1.097 311 A HN 0.043 nan 8.150 nan 0.000 0.491 312 V N 0.566 120.564 119.914 0.140 0.000 2.825 312 V HA 0.162 4.250 4.120 -0.054 0.000 0.246 312 V C 0.958 177.084 176.094 0.052 0.000 1.068 312 V CA 0.357 62.687 62.300 0.050 0.000 1.088 312 V CB -1.200 30.581 31.823 -0.070 0.000 0.733 312 V HN 0.640 nan 8.190 nan 0.000 0.468 313 L N 2.611 123.843 121.223 0.016 0.000 2.559 313 L HA 0.196 4.503 4.340 -0.054 0.000 0.274 313 L C 1.047 177.957 176.870 0.066 0.000 1.205 313 L CA 1.055 55.866 54.840 -0.048 0.000 0.907 313 L CB 0.585 42.576 42.059 -0.114 0.000 1.153 313 L HN 0.415 nan 8.230 nan 0.000 0.490 314 D N 1.243 121.654 120.400 0.018 0.000 2.290 314 D HA 0.080 4.688 4.640 -0.054 0.000 0.224 314 D C 0.186 176.544 176.300 0.097 0.000 0.967 314 D CA 1.136 55.174 54.000 0.063 0.000 0.893 314 D CB 0.516 41.336 40.800 0.033 0.000 1.037 314 D HN 0.608 nan 8.370 nan 0.000 0.477 315 S N -1.373 114.362 115.700 0.059 0.000 2.638 315 S HA 0.858 5.296 4.470 -0.054 0.000 0.274 315 S C -1.096 173.569 174.600 0.107 0.000 1.157 315 S CA -0.241 58.040 58.200 0.135 0.000 0.826 315 S CB 2.017 65.267 63.200 0.085 0.000 1.139 315 S HN 0.415 nan 8.310 nan 0.000 0.474 316 A N 0.756 123.723 122.820 0.245 0.000 2.608 316 A HA 0.903 5.190 4.320 -0.054 0.000 0.292 316 A C -1.449 176.260 177.584 0.208 0.000 1.066 316 A CA -0.794 51.304 52.037 0.102 0.000 0.676 316 A CB 1.461 20.417 19.000 -0.075 0.000 1.277 316 A HN 1.473 nan 8.150 nan 0.000 0.413 317 K N 0.471 120.835 120.400 -0.058 0.000 2.597 317 K HA 0.767 5.054 4.320 -0.054 0.000 0.282 317 K C -1.827 174.486 176.600 -0.478 0.000 0.975 317 K CA -0.757 55.357 56.287 -0.287 0.000 0.867 317 K CB 1.281 33.593 32.500 -0.314 0.000 1.465 317 K HN 0.559 nan 8.250 nan 0.000 0.417 318 I N 1.076 121.138 120.570 -0.848 0.000 2.648 318 I HA 0.320 4.458 4.170 -0.054 0.000 0.304 318 I C -0.755 175.115 176.117 -0.412 0.000 1.009 318 I CA -1.008 60.018 61.300 -0.455 0.000 1.114 318 I CB 2.240 40.123 38.000 -0.194 0.000 1.293 318 I HN 0.563 nan 8.210 nan 0.000 0.449 319 Q N 5.045 124.712 119.800 -0.220 0.000 2.305 319 Q HA 0.555 4.863 4.340 -0.054 0.000 0.271 319 Q C -1.569 174.362 176.000 -0.116 0.000 1.046 319 Q CA -0.631 55.068 55.803 -0.173 0.000 0.798 319 Q CB 3.104 31.747 28.738 -0.157 0.000 1.286 319 Q HN 0.469 nan 8.270 nan 0.000 0.435 320 L N 3.254 124.415 121.223 -0.103 0.000 2.265 320 L HA 0.409 4.717 4.340 -0.054 0.000 0.289 320 L C -0.204 176.615 176.870 -0.085 0.000 1.033 320 L CA -0.790 53.989 54.840 -0.102 0.000 0.814 320 L CB 0.796 42.795 42.059 -0.102 0.000 1.203 320 L HN 0.721 nan 8.230 nan 0.000 0.423 321 N N 3.405 122.056 118.700 -0.082 0.000 2.705 321 N HA -0.225 4.483 4.740 -0.054 0.000 0.255 321 N C 1.092 176.565 175.510 -0.061 0.000 1.008 321 N CA 1.065 54.076 53.050 -0.066 0.000 0.742 321 N CB -0.885 37.566 38.487 -0.060 0.000 0.906 321 N HN 1.148 nan 8.380 nan 0.000 0.541 322 G N -1.005 107.754 108.800 -0.068 0.000 2.257 322 G HA2 -0.374 3.554 3.960 -0.054 0.000 0.267 322 G HA3 -0.374 3.554 3.960 -0.054 0.000 0.267 322 G C 0.008 174.867 174.900 -0.067 0.000 0.984 322 G CA 0.935 45.995 45.100 -0.065 0.000 0.626 322 G HN 0.613 nan 8.290 nan 0.000 0.540 323 Q N 0.775 120.534 119.800 -0.067 0.000 2.235 323 Q HA 0.496 4.804 4.340 -0.054 0.000 0.250 323 Q C -1.045 174.904 176.000 -0.085 0.000 0.909 323 Q CA -0.697 55.069 55.803 -0.062 0.000 0.910 323 Q CB 0.991 29.702 28.738 -0.045 0.000 1.223 323 Q HN 0.265 nan 8.270 nan 0.000 0.432 324 D N 1.436 121.783 120.400 -0.089 0.000 2.371 324 D HA 0.015 4.623 4.640 -0.054 0.000 0.256 324 D C 0.782 177.014 176.300 -0.114 0.000 1.193 324 D CA 0.005 53.921 54.000 -0.140 0.000 0.881 324 D CB 0.914 41.641 40.800 -0.123 0.000 1.143 324 D HN 0.366 nan 8.370 nan 0.000 0.473 325 R N 2.912 123.301 120.500 -0.185 0.000 2.148 325 R HA 0.044 4.352 4.340 -0.054 0.000 0.227 325 R C -0.377 176.025 176.300 0.170 0.000 1.103 325 R CA 1.124 57.222 56.100 -0.003 0.000 0.983 325 R CB -0.165 30.166 30.300 0.053 0.000 0.874 325 R HN 0.530 nan 8.270 nan 0.000 0.451 326 F N -4.787 115.183 119.950 0.033 0.000 2.744 326 F HA 0.653 5.148 4.527 -0.053 0.000 0.311 326 F C -0.863 174.945 175.800 0.014 0.000 1.144 326 F CA -1.614 56.413 58.000 0.044 0.000 0.938 326 F CB 0.303 39.353 39.000 0.085 0.000 1.292 326 F HN -0.088 nan 8.300 nan 0.000 0.444 327 A N 0.887 123.830 122.820 0.205 0.000 2.448 327 A HA 0.507 4.795 4.320 -0.054 0.000 0.239 327 A C 0.227 177.903 177.584 0.153 0.000 1.080 327 A CA 0.127 52.221 52.037 0.095 0.000 0.779 327 A CB -0.268 18.770 19.000 0.063 0.000 1.026 327 A HN 0.817 nan 8.150 nan 0.000 0.499 328 T N 3.201 117.796 114.554 0.068 0.000 2.888 328 T HA 0.368 4.686 4.350 -0.054 0.000 0.301 328 T C 0.222 174.977 174.700 0.093 0.000 1.001 328 T CA 0.181 62.345 62.100 0.107 0.000 1.147 328 T CB -0.032 68.864 68.868 0.046 0.000 0.931 328 T HN 0.571 nan 8.240 nan 0.000 0.541 329 R N 2.243 122.846 120.500 0.171 0.000 2.854 329 R HA 0.468 4.775 4.340 -0.054 0.000 0.271 329 R C -0.179 176.239 176.300 0.198 0.000 0.994 329 R CA -1.134 54.949 56.100 -0.029 0.000 0.945 329 R CB 0.988 30.930 30.300 -0.598 0.000 1.194 329 R HN 0.428 nan 8.270 nan 0.000 0.476 330 K N 0.293 120.773 120.400 0.132 0.000 2.230 330 K HA 0.129 4.416 4.320 -0.054 0.000 0.253 330 K C 1.545 178.384 176.600 0.399 0.000 1.008 330 K CA 0.183 56.601 56.287 0.219 0.000 0.910 330 K CB 0.356 32.944 32.500 0.147 0.000 0.994 330 K HN 0.839 nan 8.250 nan 0.000 0.495 331 G N 0.456 109.493 108.800 0.395 0.000 2.432 331 G HA2 -0.255 3.673 3.960 -0.054 0.000 0.219 331 G HA3 -0.255 3.673 3.960 -0.054 0.000 0.219 331 G C 1.370 176.628 174.900 0.597 0.000 1.135 331 G CA 1.109 46.538 45.100 0.548 0.000 0.767 331 G HN 0.595 nan 8.290 nan 0.000 0.550 332 S N -0.531 115.385 115.700 0.360 0.000 2.507 332 S HA -0.116 4.322 4.470 -0.054 0.000 0.235 332 S C 1.993 176.695 174.600 0.171 0.000 0.988 332 S CA 1.100 59.440 58.200 0.233 0.000 0.944 332 S CB -0.447 62.842 63.200 0.148 0.000 0.762 332 S HN 0.562 nan 8.310 nan 0.000 0.526 333 Y N 1.907 122.228 120.300 0.035 0.000 2.206 333 Y HA 0.134 4.653 4.550 -0.052 0.000 0.292 333 Y C 1.496 177.301 175.900 -0.157 0.000 1.123 333 Y CA 0.876 58.881 58.100 -0.158 0.000 1.142 333 Y CB -0.539 37.692 38.460 -0.381 0.000 1.006 333 Y HN 0.235 nan 8.280 nan 0.000 0.518 334 F N 0.441 120.420 119.950 0.049 0.000 2.502 334 F HA -0.063 4.431 4.527 -0.055 0.000 0.298 334 F C 2.404 178.121 175.800 -0.139 0.000 1.111 334 F CA 1.231 59.189 58.000 -0.070 0.000 1.445 334 F CB -0.420 38.718 39.000 0.229 0.000 1.081 334 F HN 0.256 nan 8.300 nan 0.000 0.558 335 N N 0.361 119.113 118.700 0.086 0.000 2.368 335 N HA -0.061 4.647 4.740 -0.054 0.000 0.178 335 N C 1.587 177.022 175.510 -0.125 0.000 1.021 335 N CA 0.764 53.748 53.050 -0.110 0.000 0.875 335 N CB 0.272 38.691 38.487 -0.114 0.000 1.020 335 N HN 0.268 nan 8.380 nan 0.000 0.433 336 K N 0.051 120.393 120.400 -0.097 0.000 2.225 336 K HA 0.128 4.416 4.320 -0.054 0.000 0.204 336 K C 2.073 178.598 176.600 -0.124 0.000 1.047 336 K CA 0.333 56.560 56.287 -0.099 0.000 0.970 336 K CB 0.212 32.669 32.500 -0.072 0.000 0.939 336 K HN -0.079 nan 8.250 nan 0.000 0.472 337 V N 2.052 121.846 119.914 -0.200 0.000 2.323 337 V HA -0.192 3.896 4.120 -0.054 0.000 0.244 337 V C 2.363 178.293 176.094 -0.272 0.000 1.041 337 V CA 1.522 63.694 62.300 -0.212 0.000 1.025 337 V CB -0.423 31.277 31.823 -0.204 0.000 0.656 337 V HN 0.286 nan 8.190 nan 0.000 0.451 338 Q N -0.451 119.035 119.800 -0.522 0.000 2.061 338 Q HA -0.182 4.126 4.340 -0.054 0.000 0.204 338 Q C 0.439 176.279 176.000 -0.268 0.000 0.984 338 Q CA 2.364 57.919 55.803 -0.414 0.000 0.846 338 Q CB -1.682 26.819 28.738 -0.396 0.000 0.902 338 Q HN 0.499 nan 8.270 nan 0.000 0.421 339 P HA -0.164 nan 4.420 nan 0.000 0.215 339 P C 1.252 178.444 177.300 -0.180 0.000 1.157 339 P CA 1.057 64.002 63.100 -0.259 0.000 0.863 339 P CB -0.391 31.151 31.700 -0.265 0.000 0.787 340 Y N 0.849 121.021 120.300 -0.214 0.000 2.207 340 Y HA -0.250 4.265 4.550 -0.058 0.000 0.287 340 Y C 2.062 177.878 175.900 -0.140 0.000 1.156 340 Y CA 1.729 59.732 58.100 -0.163 0.000 1.182 340 Y CB -0.637 37.739 38.460 -0.140 0.000 0.979 340 Y HN 0.021 nan 8.280 nan 0.000 0.521 341 Q N -1.126 118.632 119.800 -0.070 0.000 2.331 341 Q HA -0.033 4.275 4.340 -0.054 0.000 0.203 341 Q C 1.837 177.739 176.000 -0.163 0.000 0.944 341 Q CA 1.269 57.005 55.803 -0.111 0.000 0.892 341 Q CB 0.150 28.878 28.738 -0.018 0.000 0.983 341 Q HN 0.568 nan 8.270 nan 0.000 0.482 342 S N -1.808 113.784 115.700 -0.180 0.000 2.687 342 S HA 0.253 4.691 4.470 -0.054 0.000 0.247 342 S C 1.354 175.859 174.600 -0.159 0.000 1.050 342 S CA -0.328 57.782 58.200 -0.150 0.000 1.063 342 S CB 0.347 63.466 63.200 -0.135 0.000 1.039 342 S HN 0.178 nan 8.310 nan 0.000 0.580 343 I N 0.657 121.095 120.570 -0.221 0.000 3.873 343 I HA 0.402 4.540 4.170 -0.054 0.000 0.284 343 I C 1.624 177.612 176.117 -0.216 0.000 1.186 343 I CA 0.450 61.614 61.300 -0.227 0.000 1.362 343 I CB 0.225 38.007 38.000 -0.363 0.000 1.432 343 I HN 0.428 nan 8.210 nan 0.000 0.454 344 G N 1.580 110.227 108.800 -0.255 0.000 2.149 344 G HA2 -0.139 3.789 3.960 -0.054 0.000 0.235 344 G HA3 -0.139 3.789 3.960 -0.054 0.000 0.235 344 G C 0.264 175.055 174.900 -0.181 0.000 1.018 344 G CA 0.096 45.045 45.100 -0.252 0.000 0.728 344 G HN 0.630 nan 8.290 nan 0.000 0.508 345 G N -1.960 106.734 108.800 -0.178 0.000 3.286 345 G HA2 0.808 4.736 3.960 -0.054 0.000 0.166 345 G HA3 0.808 4.736 3.960 -0.054 0.000 0.166 345 G C -0.553 174.268 174.900 -0.131 0.000 1.155 345 G CA 0.176 45.187 45.100 -0.148 0.000 0.871 345 G HN 1.428 nan 8.290 nan 0.000 0.637 346 V N 0.165 120.001 119.914 -0.130 0.000 2.697 346 V HA 0.621 4.709 4.120 -0.054 0.000 0.300 346 V C -1.077 175.000 176.094 -0.028 0.000 1.115 346 V CA -0.421 61.806 62.300 -0.121 0.000 0.912 346 V CB 1.832 33.518 31.823 -0.229 0.000 1.024 346 V HN 0.750 nan 8.190 nan 0.000 0.431 347 T N 9.053 123.595 114.554 -0.021 0.000 2.794 347 T HA 0.544 4.862 4.350 -0.054 0.000 0.280 347 T C -2.763 172.023 174.700 0.142 0.000 0.987 347 T CA -1.176 60.916 62.100 -0.013 0.000 0.993 347 T CB 1.742 70.494 68.868 -0.193 0.000 0.939 347 T HN 0.525 nan 8.240 nan 0.000 0.449 348 P HA 0.254 nan 4.420 nan 0.000 0.269 348 P C -0.513 176.734 177.300 -0.088 0.000 1.215 348 P CA -0.372 62.651 63.100 -0.128 0.000 0.780 348 P CB 0.343 31.872 31.700 -0.285 0.000 0.898 349 A N 2.230 125.013 122.820 -0.062 0.000 2.520 349 A HA 0.417 4.705 4.320 -0.054 0.000 0.235 349 A C 1.497 179.021 177.584 -0.100 0.000 1.065 349 A CA 0.895 52.891 52.037 -0.068 0.000 0.764 349 A CB -1.304 17.701 19.000 0.008 0.000 1.002 349 A HN 0.863 nan 8.150 nan 0.000 0.502 350 G N -0.006 108.659 108.800 -0.225 0.000 2.195 350 G HA2 -0.104 3.824 3.960 -0.054 0.000 0.224 350 G HA3 -0.104 3.824 3.960 -0.054 0.000 0.224 350 G C 0.047 174.666 174.900 -0.467 0.000 0.990 350 G CA 0.075 45.095 45.100 -0.132 0.000 0.639 350 G HN 1.558 nan 8.290 nan 0.000 0.514 351 V N 1.180 120.663 119.914 -0.718 0.000 2.459 351 V HA 0.760 4.848 4.120 -0.054 0.000 0.295 351 V C -0.463 175.043 176.094 -0.981 0.000 1.029 351 V CA -0.944 60.931 62.300 -0.708 0.000 0.874 351 V CB 1.215 32.768 31.823 -0.450 0.000 0.985 351 V HN 0.273 nan 8.190 nan 0.000 0.438 352 Y N 4.341 124.265 120.300 -0.626 0.000 2.499 352 Y HA 0.758 5.278 4.550 -0.049 0.000 0.347 352 Y C -0.249 175.099 175.900 -0.919 0.000 0.987 352 Y CA -1.026 56.552 58.100 -0.870 0.000 1.044 352 Y CB 1.970 39.533 38.460 -1.496 0.000 1.245 352 Y HN 0.438 nan 8.280 nan 0.000 0.461 353 L N 3.062 124.034 121.223 -0.419 0.000 2.409 353 L HA 0.580 4.887 4.340 -0.054 0.000 0.262 353 L C -2.306 174.643 176.870 0.132 0.000 0.992 353 L CA -0.877 53.850 54.840 -0.188 0.000 0.817 353 L CB 2.520 44.415 42.059 -0.273 0.000 1.350 353 L HN 0.848 nan 8.230 nan 0.000 0.411 354 Y N 2.796 123.193 120.300 0.162 0.000 2.301 354 Y HA 0.399 4.917 4.550 -0.054 0.000 0.325 354 Y C -0.764 175.084 175.900 -0.087 0.000 1.103 354 Y CA -0.316 57.880 58.100 0.161 0.000 1.182 354 Y CB 1.631 40.318 38.460 0.378 0.000 1.139 354 Y HN 0.667 nan 8.280 nan 0.000 0.443 355 S N 4.712 119.994 115.700 -0.697 0.000 2.554 355 S HA 0.431 4.869 4.470 -0.054 0.000 0.278 355 S C 0.100 174.320 174.600 -0.633 0.000 1.242 355 S CA -0.369 57.551 58.200 -0.465 0.000 1.051 355 S CB 0.373 63.453 63.200 -0.200 0.000 0.986 355 S HN 0.649 nan 8.310 nan 0.000 0.502 356 F N 2.277 122.269 119.950 0.069 0.000 2.695 356 F HA 0.440 4.935 4.527 -0.052 0.000 0.303 356 F C 1.048 176.919 175.800 0.118 0.000 1.091 356 F CA -0.212 57.862 58.000 0.123 0.000 1.300 356 F CB 0.351 39.498 39.000 0.246 0.000 1.071 356 F HN 0.567 nan 8.300 nan 0.000 0.578 357 A N 0.149 123.106 122.820 0.228 0.000 2.354 357 A HA 0.608 4.895 4.320 -0.054 0.000 0.321 357 A C 0.689 178.333 177.584 0.100 0.000 1.125 357 A CA -0.531 51.623 52.037 0.195 0.000 0.799 357 A CB 1.026 20.180 19.000 0.256 0.000 1.293 357 A HN 0.244 nan 8.150 nan 0.000 0.452 358 L N -0.222 121.055 121.223 0.090 0.000 2.156 358 L HA 0.103 4.411 4.340 -0.054 0.000 0.208 358 L C 1.329 178.221 176.870 0.036 0.000 1.095 358 L CA 1.240 56.108 54.840 0.046 0.000 0.770 358 L CB -0.018 42.069 42.059 0.046 0.000 0.914 358 L HN 0.708 nan 8.230 nan 0.000 0.439 359 K N 0.345 120.789 120.400 0.074 0.000 2.752 359 K HA 0.199 4.487 4.320 -0.054 0.000 0.199 359 K C -1.966 174.715 176.600 0.135 0.000 1.069 359 K CA -1.324 55.007 56.287 0.073 0.000 1.033 359 K CB 1.337 33.874 32.500 0.061 0.000 1.229 359 K HN -0.216 nan 8.250 nan 0.000 0.572 360 P HA -0.150 nan 4.420 nan 0.000 0.221 360 P C 0.714 178.162 177.300 0.246 0.000 1.145 360 P CA 0.948 64.216 63.100 0.280 0.000 0.795 360 P CB 0.318 32.165 31.700 0.245 0.000 0.775 361 A N -0.261 122.696 122.820 0.229 0.000 2.251 361 A HA 0.395 4.683 4.320 -0.054 0.000 0.209 361 A C 1.303 178.932 177.584 0.075 0.000 1.187 361 A CA 0.181 52.298 52.037 0.133 0.000 0.823 361 A CB -0.739 18.423 19.000 0.270 0.000 0.846 361 A HN 0.292 nan 8.150 nan 0.000 0.486 362 G N -1.191 107.671 108.800 0.103 0.000 2.367 362 G HA2 0.440 4.368 3.960 -0.054 0.000 0.314 362 G HA3 0.440 4.368 3.960 -0.054 0.000 0.314 362 G C 0.608 175.589 174.900 0.135 0.000 1.130 362 G CA -0.568 44.592 45.100 0.100 0.000 0.864 362 G HN 0.079 nan 8.290 nan 0.000 0.486 363 R N 0.202 120.779 120.500 0.127 0.000 2.075 363 R HA 0.006 4.314 4.340 -0.054 0.000 0.232 363 R C 1.372 177.812 176.300 0.235 0.000 1.126 363 R CA 0.484 56.690 56.100 0.176 0.000 0.963 363 R CB -0.497 29.890 30.300 0.145 0.000 0.858 363 R HN 0.545 nan 8.270 nan 0.000 0.435 364 Q N 2.760 122.652 119.800 0.152 0.000 2.274 364 Q HA 0.069 4.377 4.340 -0.054 0.000 0.280 364 Q C -2.039 174.031 176.000 0.117 0.000 1.047 364 Q CA -1.520 54.344 55.803 0.103 0.000 0.907 364 Q CB 0.807 29.583 28.738 0.062 0.000 1.171 364 Q HN 0.085 nan 8.270 nan 0.000 0.381 365 P HA -0.020 nan 4.420 nan 0.000 0.266 365 P C -0.710 176.615 177.300 0.042 0.000 1.195 365 P CA 0.248 63.326 63.100 -0.036 0.000 0.768 365 P CB 0.540 32.004 31.700 -0.393 0.000 0.838 366 S N 0.827 116.595 115.700 0.113 0.000 2.801 366 S HA 0.538 4.976 4.470 -0.054 0.000 0.236 366 S C 0.021 174.697 174.600 0.126 0.000 0.852 366 S CA -0.076 58.183 58.200 0.097 0.000 1.089 366 S CB -0.637 62.620 63.200 0.096 0.000 1.376 366 S HN 0.892 nan 8.310 nan 0.000 0.470 367 G N 0.363 109.248 108.800 0.142 0.000 2.873 367 G HA2 0.341 4.269 3.960 -0.054 0.000 0.507 367 G HA3 0.341 4.269 3.960 -0.054 0.000 0.507 367 G C -0.852 174.199 174.900 0.251 0.000 1.440 367 G CA -0.184 45.024 45.100 0.179 0.000 1.016 367 G HN 0.551 nan 8.290 nan 0.000 0.615 368 T N 0.436 115.122 114.554 0.219 0.000 2.889 368 T HA 0.657 4.975 4.350 -0.054 0.000 0.315 368 T C -1.037 173.727 174.700 0.107 0.000 1.291 368 T CA 0.104 62.339 62.100 0.224 0.000 1.028 368 T CB 1.953 70.938 68.868 0.195 0.000 1.235 368 T HN 1.644 nan 8.240 nan 0.000 0.491 369 C N 3.508 122.804 119.300 -0.008 0.000 2.396 369 C HA 0.638 5.066 4.460 -0.054 0.000 0.321 369 C C 0.018 174.994 174.990 -0.023 0.000 1.233 369 C CA -0.773 58.134 59.018 -0.185 0.000 1.440 369 C CB -0.237 27.076 27.740 -0.711 0.000 2.110 369 C HN 1.016 nan 8.230 nan 0.000 0.473 370 N N 3.951 122.626 118.700 -0.042 0.000 2.439 370 N HA 0.284 4.991 4.740 -0.054 0.000 0.243 370 N C 0.233 175.746 175.510 0.005 0.000 1.088 370 N CA -0.323 52.747 53.050 0.033 0.000 0.940 370 N CB 0.316 38.798 38.487 -0.008 0.000 1.180 370 N HN 0.716 nan 8.380 nan 0.000 0.505 371 F N 1.078 120.990 119.950 -0.063 0.000 2.748 371 F HA 0.039 4.534 4.527 -0.054 0.000 0.299 371 F C 2.179 177.948 175.800 -0.052 0.000 1.154 371 F CA 0.276 58.255 58.000 -0.036 0.000 1.446 371 F CB 0.275 39.297 39.000 0.036 0.000 1.112 371 F HN 0.467 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 0.013 4.451 4.470 -0.054 0.000 0.224 372 S C 1.913 176.507 174.600 -0.011 0.000 0.969 372 S CA 0.459 58.657 58.200 -0.003 0.000 0.927 372 S CB -0.079 63.102 63.200 -0.032 0.000 0.772 372 S HN 0.248 nan 8.310 nan 0.000 0.533 373 R N 0.175 120.659 120.500 -0.026 0.000 2.446 373 R HA 0.348 4.656 4.340 -0.054 0.000 0.254 373 R C -0.195 176.061 176.300 -0.073 0.000 0.918 373 R CA 0.079 56.151 56.100 -0.046 0.000 1.069 373 R CB 0.327 30.596 30.300 -0.051 0.000 1.194 373 R HN 0.352 nan 8.270 nan 0.000 0.534 374 I N 2.269 122.778 120.570 -0.102 0.000 2.287 374 I HA 0.050 4.188 4.170 -0.054 0.000 0.290 374 I C 0.837 176.907 176.117 -0.077 0.000 1.069 374 I CA -0.210 61.010 61.300 -0.134 0.000 1.237 374 I CB 1.163 38.999 38.000 -0.272 0.000 1.418 374 I HN -0.166 nan 8.210 nan 0.000 0.481 375 D N 3.667 124.031 120.400 -0.061 0.000 2.133 375 D HA -0.184 4.424 4.640 -0.054 0.000 0.195 375 D C 0.771 177.043 176.300 -0.047 0.000 0.997 375 D CA 1.677 55.649 54.000 -0.045 0.000 0.840 375 D CB 0.163 40.938 40.800 -0.042 0.000 0.947 375 D HN 0.494 nan 8.370 nan 0.000 0.452 376 N N -0.112 118.553 118.700 -0.060 0.000 2.448 376 N HA 0.354 5.061 4.740 -0.054 0.000 0.279 376 N C -1.830 173.640 175.510 -0.067 0.000 1.025 376 N CA -0.224 52.791 53.050 -0.059 0.000 0.898 376 N CB 1.807 40.258 38.487 -0.059 0.000 1.303 376 N HN -0.153 nan 8.380 nan 0.000 0.495 377 A N 2.675 125.470 122.820 -0.041 0.000 2.318 377 A HA 0.725 5.013 4.320 -0.054 0.000 0.317 377 A C -0.578 176.993 177.584 -0.021 0.000 1.159 377 A CA -0.348 51.683 52.037 -0.010 0.000 0.799 377 A CB 1.014 20.096 19.000 0.136 0.000 1.194 377 A HN 0.536 nan 8.150 nan 0.000 0.479 378 T N 2.300 116.826 114.554 -0.048 0.000 2.909 378 T HA 0.501 4.819 4.350 -0.054 0.000 0.299 378 T C -1.053 173.572 174.700 -0.124 0.000 1.073 378 T CA -0.378 61.669 62.100 -0.089 0.000 0.999 378 T CB 1.377 70.185 68.868 -0.100 0.000 1.098 378 T HN 0.577 nan 8.240 nan 0.000 0.477 379 L N 2.640 123.763 121.223 -0.166 0.000 2.295 379 L HA 0.567 4.874 4.340 -0.054 0.000 0.281 379 L C -0.036 176.691 176.870 -0.238 0.000 1.018 379 L CA -0.429 54.258 54.840 -0.256 0.000 0.841 379 L CB 1.146 42.986 42.059 -0.364 0.000 1.218 379 L HN 0.633 nan 8.230 nan 0.000 0.424 380 S N 5.844 121.405 115.700 -0.231 0.000 2.439 380 S HA 0.540 4.977 4.470 -0.054 0.000 0.282 380 S C -0.458 174.013 174.600 -0.216 0.000 1.170 380 S CA -0.475 57.610 58.200 -0.192 0.000 1.054 380 S CB 0.091 63.191 63.200 -0.167 0.000 0.956 380 S HN 0.532 nan 8.310 nan 0.000 0.490 381 L N 4.306 125.389 121.223 -0.233 0.000 2.346 381 L HA 0.593 4.900 4.340 -0.054 0.000 0.274 381 L C -0.106 176.505 176.870 -0.432 0.000 1.007 381 L CA -0.649 53.986 54.840 -0.342 0.000 0.818 381 L CB 2.421 44.242 42.059 -0.396 0.000 1.284 381 L HN 0.485 nan 8.230 nan 0.000 0.424 382 T N 0.839 115.117 114.554 -0.460 0.000 2.879 382 T HA 0.530 4.848 4.350 -0.054 0.000 0.290 382 T C -0.948 173.498 174.700 -0.424 0.000 0.993 382 T CA -0.494 61.396 62.100 -0.350 0.000 0.975 382 T CB 0.820 69.603 68.868 -0.142 0.000 0.981 382 T HN 0.156 nan 8.240 nan 0.000 0.439 383 Y N 1.299 121.562 120.300 -0.061 0.000 2.432 383 Y HA 0.532 5.049 4.550 -0.055 0.000 0.322 383 Y C 1.083 176.955 175.900 -0.047 0.000 1.246 383 Y CA -1.148 56.897 58.100 -0.093 0.000 1.268 383 Y CB 0.999 39.382 38.460 -0.128 0.000 1.276 383 Y HN 0.345 nan 8.280 nan 0.000 0.499 384 K N 0.019 120.497 120.400 0.130 0.000 2.138 384 K HA 0.277 4.565 4.320 -0.054 0.000 0.251 384 K C -0.597 176.044 176.600 0.068 0.000 1.015 384 K CA -0.516 55.817 56.287 0.078 0.000 0.917 384 K CB 0.409 32.949 32.500 0.067 0.000 1.021 384 K HN 0.532 nan 8.250 nan 0.000 0.485 385 T N 1.556 116.138 114.554 0.046 0.000 2.723 385 T HA 0.078 4.395 4.350 -0.054 0.000 0.297 385 T C -0.071 174.642 174.700 0.022 0.000 0.925 385 T CA -0.463 61.656 62.100 0.031 0.000 1.030 385 T CB -0.335 68.548 68.868 0.025 0.000 0.905 385 T HN 0.522 nan 8.240 nan 0.000 0.502 386 C N 4.316 123.622 119.300 0.011 0.000 3.031 386 C HA 0.170 4.598 4.460 -0.054 0.000 0.489 386 C C 2.051 177.043 174.990 0.004 0.000 1.020 386 C CA -0.635 58.386 59.018 0.005 0.000 1.104 386 C CB -2.454 25.280 27.740 -0.010 0.000 1.470 386 C HN 1.011 nan 8.230 nan 0.000 0.583 387 S N 0.074 115.779 115.700 0.009 0.000 2.512 387 S HA 0.227 4.665 4.470 -0.054 0.000 0.216 387 S C 0.328 174.932 174.600 0.007 0.000 1.006 387 S CA -0.085 58.119 58.200 0.007 0.000 0.915 387 S CB -0.117 63.089 63.200 0.009 0.000 0.824 387 S HN 0.657 nan 8.310 nan 0.000 0.497 388 I N 3.371 123.946 120.570 0.009 0.000 2.618 388 I HA 0.105 4.243 4.170 -0.054 0.000 0.284 388 I C 0.157 176.276 176.117 0.005 0.000 1.146 388 I CA -0.155 61.150 61.300 0.008 0.000 1.425 388 I CB 0.260 38.267 38.000 0.011 0.000 1.383 388 I HN 0.135 nan 8.210 nan 0.000 0.562 389 D N 5.636 126.038 120.400 0.003 0.000 2.342 389 D HA 0.183 4.791 4.640 -0.054 0.000 0.260 389 D C 0.981 177.281 176.300 -0.000 0.000 1.278 389 D CA 0.005 54.006 54.000 0.001 0.000 0.910 389 D CB 1.300 42.101 40.800 0.001 0.000 1.079 389 D HN 0.603 nan 8.370 nan 0.000 0.496 390 A N 3.111 125.930 122.820 -0.002 0.000 2.024 390 A HA -0.193 4.095 4.320 -0.054 0.000 0.220 390 A C 2.091 179.671 177.584 -0.007 0.000 1.164 390 A CA 2.054 54.089 52.037 -0.005 0.000 0.643 390 A CB -0.850 18.145 19.000 -0.008 0.000 0.806 390 A HN 0.682 nan 8.150 nan 0.000 0.451 391 T N -3.336 111.214 114.554 -0.006 0.000 3.085 391 T HA 0.115 4.433 4.350 -0.054 0.000 0.263 391 T C 0.916 175.613 174.700 -0.005 0.000 1.127 391 T CA 0.872 62.968 62.100 -0.007 0.000 1.103 391 T CB -0.314 68.551 68.868 -0.006 0.000 0.921 391 T HN 0.282 nan 8.240 nan 0.000 0.510 392 S N 2.145 117.844 115.700 -0.003 0.000 2.422 392 S HA 0.414 4.852 4.470 -0.054 0.000 0.298 392 S C -1.871 172.729 174.600 -0.000 0.000 1.118 392 S CA -1.670 56.529 58.200 -0.001 0.000 1.083 392 S CB 1.304 64.505 63.200 0.000 0.000 0.971 392 S HN 0.021 nan 8.310 nan 0.000 0.478 393 P HA -0.008 nan 4.420 nan 0.000 0.215 393 P C 1.419 178.721 177.300 0.003 0.000 1.157 393 P CA 1.258 64.358 63.100 0.001 0.000 0.863 393 P CB 0.049 31.749 31.700 -0.000 0.000 0.787 394 A N -0.063 122.759 122.820 0.003 0.000 1.940 394 A HA -0.179 4.109 4.320 -0.054 0.000 0.219 394 A C 2.279 179.866 177.584 0.005 0.000 1.176 394 A CA 2.283 54.323 52.037 0.004 0.000 0.631 394 A CB -1.591 17.411 19.000 0.003 0.000 0.814 394 A HN 0.212 nan 8.150 nan 0.000 0.446 395 A N -0.747 122.076 122.820 0.005 0.000 1.874 395 A HA 0.101 4.389 4.320 -0.054 0.000 0.214 395 A C 2.191 179.780 177.584 0.008 0.000 1.189 395 A CA 1.543 53.583 52.037 0.006 0.000 0.615 395 A CB -0.826 18.177 19.000 0.005 0.000 0.830 395 A HN 0.410 nan 8.150 nan 0.000 0.443 396 V N 0.211 120.129 119.914 0.007 0.000 2.427 396 V HA -0.187 3.901 4.120 -0.054 0.000 0.248 396 V C 2.301 178.402 176.094 0.012 0.000 1.051 396 V CA 1.664 63.970 62.300 0.010 0.000 1.048 396 V CB -0.749 31.078 31.823 0.007 0.000 0.666 396 V HN 0.529 nan 8.190 nan 0.000 0.456 397 L N 0.161 121.390 121.223 0.010 0.000 2.554 397 L HA 0.249 4.557 4.340 -0.054 0.000 0.226 397 L C 1.330 178.207 176.870 0.011 0.000 1.137 397 L CA 0.789 55.636 54.840 0.011 0.000 0.863 397 L CB -0.211 41.853 42.059 0.009 0.000 0.985 397 L HN 0.457 nan 8.230 nan 0.000 0.451 398 G N -0.189 108.617 108.800 0.011 0.000 4.566 398 G HA2 0.272 4.200 3.960 -0.054 0.000 0.307 398 G HA3 0.272 4.200 3.960 -0.054 0.000 0.307 398 G C -0.758 174.149 174.900 0.011 0.000 1.383 398 G CA -0.280 44.826 45.100 0.010 0.000 0.910 398 G HN -0.065 nan 8.290 nan 0.000 0.538 399 N N -0.354 118.355 118.700 0.014 0.000 2.831 399 N HA 0.518 5.226 4.740 -0.054 0.000 0.276 399 N C -0.264 175.257 175.510 0.019 0.000 1.416 399 N CA -0.356 52.704 53.050 0.016 0.000 0.799 399 N CB 2.097 40.595 38.487 0.018 0.000 1.554 399 N HN 0.084 nan 8.380 nan 0.000 0.541 400 T N 0.344 114.910 114.554 0.020 0.000 2.828 400 T HA 0.052 4.370 4.350 -0.054 0.000 0.290 400 T C 1.407 176.125 174.700 0.030 0.000 1.019 400 T CA -0.177 61.937 62.100 0.022 0.000 1.031 400 T CB 0.810 69.690 68.868 0.020 0.000 1.001 400 T HN 0.513 nan 8.240 nan 0.000 0.531 401 E N 0.245 120.464 120.200 0.032 0.000 2.347 401 E HA -0.102 4.215 4.350 -0.054 0.000 0.196 401 E C 1.334 177.963 176.600 0.049 0.000 1.008 401 E CA 0.982 57.407 56.400 0.042 0.000 0.852 401 E CB 0.074 29.798 29.700 0.040 0.000 0.783 401 E HN 0.759 nan 8.360 nan 0.000 0.505 402 T N -1.435 113.144 114.554 0.041 0.000 3.105 402 T HA 0.202 4.519 4.350 -0.054 0.000 0.253 402 T C 0.390 175.115 174.700 0.042 0.000 1.047 402 T CA 0.012 62.138 62.100 0.043 0.000 0.944 402 T CB 0.211 69.100 68.868 0.034 0.000 1.016 402 T HN 0.039 nan 8.240 nan 0.000 0.544 403 V N -1.926 118.012 119.914 0.039 0.000 3.001 403 V HA 0.920 5.007 4.120 -0.054 0.000 0.314 403 V C -0.603 175.513 176.094 0.037 0.000 1.099 403 V CA -0.768 61.553 62.300 0.035 0.000 0.989 403 V CB 1.867 33.705 31.823 0.026 0.000 1.040 403 V HN 0.256 nan 8.190 nan 0.000 0.434 404 T N 0.701 115.274 114.554 0.032 0.000 2.645 404 T HA 0.870 5.188 4.350 -0.054 0.000 0.273 404 T C 0.001 174.712 174.700 0.019 0.000 0.960 404 T CA -0.207 61.911 62.100 0.031 0.000 1.051 404 T CB 1.471 70.360 68.868 0.035 0.000 1.366 404 T HN 1.436 nan 8.240 nan 0.000 0.536 405 A N 1.091 123.921 122.820 0.016 0.000 2.327 405 A HA 0.476 4.764 4.320 -0.054 0.000 0.283 405 A C 1.133 178.718 177.584 0.002 0.000 1.127 405 A CA -0.719 51.323 52.037 0.008 0.000 0.810 405 A CB -0.050 18.953 19.000 0.005 0.000 1.066 405 A HN 0.862 nan 8.150 nan 0.000 0.492 406 N N 1.471 120.171 118.700 -0.001 0.000 2.417 406 N HA -0.154 4.554 4.740 -0.054 0.000 0.187 406 N C 0.944 176.449 175.510 -0.009 0.000 1.027 406 N CA 2.065 55.112 53.050 -0.006 0.000 0.891 406 N CB -0.963 37.521 38.487 -0.005 0.000 0.956 406 N HN 0.529 nan 8.380 nan 0.000 0.442 407 T N -0.460 114.090 114.554 -0.006 0.000 3.025 407 T HA 0.054 4.372 4.350 -0.054 0.000 0.270 407 T C 1.748 176.446 174.700 -0.004 0.000 1.126 407 T CA 0.951 63.047 62.100 -0.006 0.000 1.105 407 T CB -0.382 68.481 68.868 -0.008 0.000 0.884 407 T HN 0.563 nan 8.240 nan 0.000 0.522 408 A N 1.569 124.385 122.820 -0.006 0.000 2.172 408 A HA -0.046 4.242 4.320 -0.054 0.000 0.216 408 A C 2.427 179.991 177.584 -0.034 0.000 1.154 408 A CA 1.438 53.470 52.037 -0.009 0.000 0.701 408 A CB -0.889 18.104 19.000 -0.011 0.000 0.789 408 A HN 0.563 nan 8.150 nan 0.000 0.465 409 T N 0.082 114.615 114.554 -0.035 0.000 2.881 409 T HA -0.083 4.235 4.350 -0.054 0.000 0.270 409 T C 1.626 176.309 174.700 -0.029 0.000 1.068 409 T CA 1.218 63.288 62.100 -0.049 0.000 1.131 409 T CB -0.435 68.412 68.868 -0.035 0.000 0.871 409 T HN 0.426 nan 8.240 nan 0.000 0.479 410 L N 0.216 121.436 121.223 -0.004 0.000 2.291 410 L HA 0.166 4.473 4.340 -0.054 0.000 0.214 410 L C 0.881 177.779 176.870 0.046 0.000 1.120 410 L CA 0.530 55.381 54.840 0.018 0.000 0.799 410 L CB -0.739 41.332 42.059 0.021 0.000 0.925 410 L HN 0.282 nan 8.230 nan 0.000 0.446 411 L N 1.607 122.863 121.223 0.055 0.000 2.415 411 L HA 0.034 4.342 4.340 -0.054 0.000 0.269 411 L C 1.218 178.164 176.870 0.126 0.000 1.244 411 L CA -0.063 54.853 54.840 0.127 0.000 1.113 411 L CB -0.327 41.827 42.059 0.158 0.000 1.352 411 L HN 0.179 nan 8.230 nan 0.000 0.433 412 T N -2.874 111.754 114.554 0.122 0.000 3.044 412 T HA 0.323 4.640 4.350 -0.054 0.000 0.260 412 T C 0.609 175.400 174.700 0.151 0.000 1.019 412 T CA -0.007 62.157 62.100 0.107 0.000 0.921 412 T CB 0.598 69.496 68.868 0.052 0.000 1.053 412 T HN 0.372 nan 8.240 nan 0.000 0.533 413 A N 1.988 124.924 122.820 0.193 0.000 2.444 413 A HA 0.661 4.949 4.320 -0.054 0.000 0.332 413 A C -0.133 177.572 177.584 0.202 0.000 1.430 413 A CA -0.672 51.475 52.037 0.183 0.000 0.975 413 A CB -0.064 19.047 19.000 0.186 0.000 1.147 413 A HN 0.618 nan 8.150 nan 0.000 0.524 414 L N 3.682 124.998 121.223 0.156 0.000 2.325 414 L HA 0.221 4.529 4.340 -0.054 0.000 0.284 414 L C -0.712 176.186 176.870 0.048 0.000 1.089 414 L CA -0.349 54.518 54.840 0.045 0.000 0.836 414 L CB 0.309 42.394 42.059 0.043 0.000 1.184 414 L HN 0.628 nan 8.230 nan 0.000 0.444 415 N N 6.956 125.701 118.700 0.074 0.000 2.444 415 N HA 0.445 5.153 4.740 -0.054 0.000 0.262 415 N C -0.824 174.710 175.510 0.041 0.000 0.974 415 N CA -0.274 52.869 53.050 0.155 0.000 0.933 415 N CB 2.220 40.816 38.487 0.182 0.000 1.137 415 N HN 0.483 nan 8.380 nan 0.000 0.498 416 I N 3.000 123.571 120.570 0.003 0.000 2.389 416 I HA 0.326 4.464 4.170 -0.054 0.000 0.288 416 I C -0.833 175.341 176.117 0.096 0.000 0.999 416 I CA -0.708 60.676 61.300 0.140 0.000 1.129 416 I CB 0.770 38.864 38.000 0.155 0.000 1.288 416 I HN 0.307 nan 8.210 nan 0.000 0.444 417 Y N 4.389 124.927 120.300 0.397 0.000 2.487 417 Y HA 0.802 5.321 4.550 -0.052 0.000 0.337 417 Y C 0.220 176.019 175.900 -0.169 0.000 1.076 417 Y CA -0.965 57.224 58.100 0.148 0.000 1.115 417 Y CB 2.007 40.521 38.460 0.090 0.000 1.235 417 Y HN 0.544 nan 8.280 nan 0.000 0.468 418 A N 2.353 124.928 122.820 -0.408 0.000 2.408 418 A HA 0.709 4.996 4.320 -0.054 0.000 0.295 418 A C -1.479 175.737 177.584 -0.613 0.000 1.040 418 A CA -0.937 50.649 52.037 -0.751 0.000 0.707 418 A CB 1.375 19.351 19.000 -1.707 0.000 1.235 418 A HN 0.566 nan 8.150 nan 0.000 0.418 419 K N 2.331 122.296 120.400 -0.724 0.000 2.235 419 K HA 0.465 4.753 4.320 -0.054 0.000 0.266 419 K C -0.301 175.995 176.600 -0.507 0.000 0.980 419 K CA -0.323 55.571 56.287 -0.655 0.000 0.849 419 K CB 0.642 32.599 32.500 -0.905 0.000 1.098 419 K HN 0.904 nan 8.250 nan 0.000 0.445 420 N N 2.083 120.574 118.700 -0.348 0.000 2.577 420 N HA 0.289 4.997 4.740 -0.054 0.000 0.285 420 N C -1.008 174.344 175.510 -0.263 0.000 1.309 420 N CA -0.562 52.346 53.050 -0.237 0.000 0.798 420 N CB 0.732 39.183 38.487 -0.060 0.000 1.463 420 N HN 0.232 nan 8.380 nan 0.000 0.518 421 Y N -0.639 119.640 120.300 -0.034 0.000 2.453 421 Y HA 0.500 5.018 4.550 -0.054 0.000 0.326 421 Y C 0.668 176.512 175.900 -0.094 0.000 1.186 421 Y CA -0.280 57.795 58.100 -0.041 0.000 1.200 421 Y CB 1.238 39.689 38.460 -0.015 0.000 1.247 421 Y HN 0.608 nan 8.280 nan 0.000 0.482 422 N N -0.727 118.035 118.700 0.102 0.000 3.116 422 N HA 0.468 5.175 4.740 -0.054 0.000 0.244 422 N C -2.271 173.279 175.510 0.066 0.000 1.485 422 N CA -0.364 52.696 53.050 0.016 0.000 0.884 422 N CB 2.059 40.477 38.487 -0.115 0.000 1.415 422 N HN 0.317 nan 8.380 nan 0.000 0.524 423 V N 1.785 121.765 119.914 0.109 0.000 2.495 423 V HA 0.516 4.604 4.120 -0.054 0.000 0.298 423 V C -0.092 176.003 176.094 0.001 0.000 1.031 423 V CA -0.758 61.585 62.300 0.071 0.000 0.871 423 V CB 1.688 33.591 31.823 0.132 0.000 0.988 423 V HN 0.524 nan 8.190 nan 0.000 0.432 424 L N 6.855 128.078 121.223 -0.000 0.000 2.295 424 L HA 0.602 4.910 4.340 -0.054 0.000 0.281 424 L C 0.345 177.274 176.870 0.099 0.000 1.018 424 L CA -0.569 54.270 54.840 -0.002 0.000 0.841 424 L CB 0.563 42.562 42.059 -0.099 0.000 1.218 424 L HN 0.783 nan 8.230 nan 0.000 0.424 425 R N 5.233 125.762 120.500 0.048 0.000 2.297 425 R HA 0.646 4.954 4.340 -0.054 0.000 0.308 425 R C -1.248 175.094 176.300 0.069 0.000 1.029 425 R CA -0.612 55.522 56.100 0.058 0.000 0.929 425 R CB 1.420 31.715 30.300 -0.008 0.000 1.046 425 R HN 0.523 nan 8.270 nan 0.000 0.461 426 I N 4.296 124.941 120.570 0.124 0.000 2.466 426 I HA 0.483 4.621 4.170 -0.054 0.000 0.289 426 I C -0.384 175.764 176.117 0.051 0.000 1.026 426 I CA -0.849 60.517 61.300 0.110 0.000 1.078 426 I CB 2.007 40.153 38.000 0.243 0.000 1.249 426 I HN 0.682 nan 8.210 nan 0.000 0.429 427 M N 3.921 123.518 119.600 -0.006 0.000 2.569 427 M HA 0.195 4.642 4.480 -0.054 0.000 0.287 427 M C -0.591 175.698 176.300 -0.018 0.000 1.130 427 M CA -0.142 55.139 55.300 -0.033 0.000 0.885 427 M CB 2.094 34.663 32.600 -0.052 0.000 1.759 427 M HN 0.561 nan 8.290 nan 0.000 0.515 428 S N 2.012 117.713 115.700 0.002 0.000 3.581 428 S HA -0.145 4.293 4.470 -0.054 0.000 0.354 428 S C 0.762 175.444 174.600 0.137 0.000 1.059 428 S CA 1.794 60.031 58.200 0.063 0.000 1.060 428 S CB -2.005 61.227 63.200 0.053 0.000 0.908 428 S HN 1.856 nan 8.310 nan 0.000 0.475 429 G N -0.085 108.723 108.800 0.015 0.000 2.162 429 G HA2 -0.322 3.606 3.960 -0.054 0.000 0.260 429 G HA3 -0.322 3.606 3.960 -0.054 0.000 0.260 429 G C -0.093 174.755 174.900 -0.086 0.000 0.976 429 G CA 0.713 45.733 45.100 -0.134 0.000 0.655 429 G HN 1.243 nan 8.290 nan 0.000 0.533 430 M N -1.780 117.730 119.600 -0.149 0.000 2.622 430 M HA 0.776 5.224 4.480 -0.054 0.000 0.276 430 M C -0.062 175.988 176.300 -0.416 0.000 1.265 430 M CA -0.360 54.609 55.300 -0.551 0.000 0.850 430 M CB 1.699 33.798 32.600 -0.836 0.000 1.720 430 M HN 0.906 nan 8.290 nan 0.000 0.465 431 G N -0.678 107.826 108.800 -0.493 0.000 2.642 431 G HA2 0.871 4.799 3.960 -0.054 0.000 0.293 431 G HA3 0.871 4.799 3.960 -0.054 0.000 0.293 431 G C -1.413 173.495 174.900 0.015 0.000 1.341 431 G CA -0.586 44.446 45.100 -0.112 0.000 0.916 431 G HN 1.136 nan 8.290 nan 0.000 0.474 432 G N -0.781 108.030 108.800 0.019 0.000 2.667 432 G HA2 0.511 4.439 3.960 -0.054 0.000 0.294 432 G HA3 0.511 4.439 3.960 -0.054 0.000 0.294 432 G C -0.958 173.935 174.900 -0.012 0.000 1.467 432 G CA -0.886 44.233 45.100 0.032 0.000 0.852 432 G HN 0.650 nan 8.290 nan 0.000 0.521 433 L N 1.196 122.407 121.223 -0.021 0.000 2.426 433 L HA 0.350 4.658 4.340 -0.054 0.000 0.271 433 L C 1.842 178.646 176.870 -0.109 0.000 1.169 433 L CA -0.205 54.604 54.840 -0.051 0.000 0.836 433 L CB 1.496 43.535 42.059 -0.033 0.000 1.112 433 L HN 0.775 nan 8.230 nan 0.000 0.465 434 A N 3.432 126.143 122.820 -0.182 0.000 2.067 434 A HA 0.005 4.293 4.320 -0.054 0.000 0.217 434 A C 0.122 177.203 177.584 -0.839 0.000 1.156 434 A CA 1.013 52.756 52.037 -0.489 0.000 0.683 434 A CB -0.071 18.598 19.000 -0.552 0.000 0.808 434 A HN 0.607 nan 8.150 nan 0.000 0.455 435 Y N -1.763 118.529 120.300 -0.012 0.000 2.421 435 Y HA 0.623 5.141 4.550 -0.054 0.000 0.339 435 Y C 0.280 176.235 175.900 0.092 0.000 0.996 435 Y CA -0.768 57.360 58.100 0.046 0.000 1.046 435 Y CB 1.499 39.998 38.460 0.066 0.000 1.226 435 Y HN 0.166 nan 8.280 nan 0.000 0.445 436 A N 2.657 125.653 122.820 0.292 0.000 2.261 436 A HA 0.927 5.215 4.320 -0.054 0.000 0.323 436 A C -0.406 177.387 177.584 0.349 0.000 1.107 436 A CA -0.345 51.845 52.037 0.255 0.000 0.883 436 A CB 0.938 20.018 19.000 0.134 0.000 1.251 436 A HN 0.866 nan 8.150 nan 0.000 0.502 437 N N 0.000 118.838 118.700 0.230 0.000 1.763 437 N HA 0.000 4.708 4.740 -0.054 0.000 0.220 437 N CA 0.000 53.099 53.050 0.082 0.000 0.885 437 N CB 0.000 38.372 38.487 -0.191 0.000 1.341 437 N HN 0.000 nan 8.380 nan 0.000 0.667