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 1m4x_1_A 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 TQAAQNIRLN 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 0.000 174.431 174.700 -0.448 0.000 1.109 25 T CA 0.000 61.963 62.100 -0.229 0.000 1.349 25 T CB 0.000 68.844 68.868 -0.040 0.000 0.612 26 F N 0.245 119.928 119.950 -0.444 0.000 2.749 26 F HA 0.354 4.881 4.527 0.000 0.000 0.300 26 F C 1.000 176.280 175.800 -0.868 0.000 1.103 26 F CA -0.169 57.401 58.000 -0.716 0.000 1.342 26 F CB 0.210 38.635 39.000 -0.959 0.000 1.098 26 F HN 0.499 nan 8.300 nan 0.000 0.586 27 F N -0.280 119.747 119.950 0.128 0.000 2.684 27 F HA 0.330 4.857 4.527 0.000 0.000 0.298 27 F C 0.225 176.040 175.800 0.025 0.000 1.120 27 F CA -0.261 57.784 58.000 0.076 0.000 1.332 27 F CB 0.293 39.336 39.000 0.072 0.000 0.986 27 F HN -0.359 nan 8.300 nan 0.000 0.524 28 K N 0.858 121.288 120.400 0.049 0.000 2.897 28 K HA 0.247 4.567 4.320 0.000 0.000 0.243 28 K C -0.694 175.848 176.600 -0.095 0.000 1.189 28 K CA 0.045 56.336 56.287 0.006 0.000 1.032 28 K CB 0.503 33.018 32.500 0.026 0.000 1.302 28 K HN -0.096 nan 8.250 nan 0.000 0.568 29 T N 1.564 116.017 114.554 -0.168 0.000 2.884 29 T HA 0.235 4.585 4.350 0.000 0.000 0.298 29 T C -0.348 174.114 174.700 -0.397 0.000 0.998 29 T CA -0.247 61.652 62.100 -0.335 0.000 1.124 29 T CB 0.899 69.451 68.868 -0.527 0.000 0.931 29 T HN 0.146 nan 8.240 nan 0.000 0.531 30 V N 5.272 124.992 119.914 -0.324 0.000 2.259 30 V HA 0.238 4.358 4.120 0.000 0.000 0.267 30 V C -0.609 175.378 176.094 -0.177 0.000 1.051 30 V CA -0.858 61.322 62.300 -0.200 0.000 0.830 30 V CB -0.679 31.090 31.823 -0.091 0.000 1.080 30 V HN 0.745 nan 8.190 nan 0.000 0.467 31 Y N 4.776 125.100 120.300 0.040 0.000 2.578 31 Y HA 0.294 4.844 4.550 0.000 0.000 0.339 31 Y C 1.236 177.177 175.900 0.068 0.000 1.231 31 Y CA -0.303 57.831 58.100 0.057 0.000 1.461 31 Y CB 0.444 38.946 38.460 0.070 0.000 1.323 31 Y HN 0.547 nan 8.280 nan 0.000 0.590 32 R N 3.037 123.690 120.500 0.255 0.000 2.486 32 R HA 0.523 4.863 4.340 0.000 0.000 0.286 32 R C -0.811 175.628 176.300 0.232 0.000 0.999 32 R CA -0.845 55.368 56.100 0.187 0.000 0.993 32 R CB 0.856 31.244 30.300 0.148 0.000 1.084 32 R HN 0.696 nan 8.270 nan 0.000 0.487 33 R N 1.834 122.429 120.500 0.159 0.000 2.441 33 R HA 0.241 4.581 4.340 0.000 0.000 0.284 33 R C -0.440 175.949 176.300 0.148 0.000 1.070 33 R CA -0.344 55.816 56.100 0.100 0.000 1.047 33 R CB 0.494 30.798 30.300 0.008 0.000 1.016 33 R HN 0.715 nan 8.270 nan 0.000 0.477 34 Y N -1.860 118.500 120.300 0.101 0.000 2.675 34 Y HA 0.451 5.001 4.550 0.000 0.000 0.328 34 Y C 0.222 176.208 175.900 0.143 0.000 1.092 34 Y CA -1.388 56.788 58.100 0.127 0.000 1.190 34 Y CB 0.583 39.142 38.460 0.164 0.000 1.350 34 Y HN 0.384 nan 8.280 nan 0.000 0.525 35 T N 2.073 116.826 114.554 0.332 0.000 2.814 35 T HA 0.133 4.483 4.350 0.000 0.000 0.297 35 T C -0.182 174.751 174.700 0.388 0.000 0.956 35 T CA -0.446 61.808 62.100 0.258 0.000 1.123 35 T CB -0.541 68.486 68.868 0.265 0.000 0.902 35 T HN 0.749 nan 8.240 nan 0.000 0.528 36 N N 4.002 122.805 118.700 0.172 0.000 2.458 36 N HA 0.381 5.121 4.740 0.000 0.000 0.258 36 N C -0.611 175.091 175.510 0.321 0.000 1.219 36 N CA 0.130 53.264 53.050 0.142 0.000 0.902 36 N CB -0.096 38.403 38.487 0.020 0.000 1.076 36 N HN 0.608 nan 8.380 nan 0.000 0.455 37 F N 0.094 120.147 119.950 0.171 0.000 2.877 37 F HA 0.820 5.347 4.527 0.000 0.000 0.319 37 F C -1.755 174.141 175.800 0.160 0.000 1.174 37 F CA -1.211 56.888 58.000 0.165 0.000 0.903 37 F CB 0.630 39.728 39.000 0.164 0.000 1.357 37 F HN 0.521 nan 8.300 nan 0.000 0.472 38 A N 1.017 124.094 122.820 0.428 0.000 2.572 38 A HA 0.855 5.175 4.320 0.000 0.000 0.295 38 A C -1.743 176.164 177.584 0.539 0.000 1.072 38 A CA -0.825 51.388 52.037 0.293 0.000 0.691 38 A CB 1.493 20.583 19.000 0.149 0.000 1.291 38 A HN 0.843 nan 8.150 nan 0.000 0.404 39 I N 0.445 121.251 120.570 0.393 0.000 2.569 39 I HA 0.649 4.819 4.170 0.000 0.000 0.296 39 I C -0.225 176.087 176.117 0.326 0.000 1.028 39 I CA -0.373 61.150 61.300 0.371 0.000 1.082 39 I CB 2.176 40.346 38.000 0.283 0.000 1.264 39 I HN 0.780 nan 8.210 nan 0.000 0.429 40 E N 3.114 123.543 120.200 0.382 0.000 2.321 40 E HA 0.274 4.624 4.350 0.000 0.000 0.281 40 E C -1.619 175.192 176.600 0.351 0.000 0.910 40 E CA -0.418 56.186 56.400 0.340 0.000 0.770 40 E CB 2.184 32.135 29.700 0.417 0.000 1.225 40 E HN 0.539 nan 8.360 nan 0.000 0.417 41 S N 5.252 121.125 115.700 0.290 0.000 2.411 41 S HA 0.466 4.936 4.470 0.000 0.000 0.294 41 S C -0.378 174.517 174.600 0.491 0.000 1.115 41 S CA -0.447 57.964 58.200 0.351 0.000 1.071 41 S CB -0.026 63.314 63.200 0.234 0.000 0.967 41 S HN 0.396 nan 8.310 nan 0.000 0.488 42 I N 4.297 125.167 120.570 0.499 0.000 2.404 42 I HA 0.333 4.503 4.170 0.000 0.000 0.293 42 I C 0.358 176.528 176.117 0.088 0.000 0.992 42 I CA -0.780 60.718 61.300 0.330 0.000 1.149 42 I CB 1.826 39.921 38.000 0.158 0.000 1.315 42 I HN 0.577 nan 8.210 nan 0.000 0.446 43 Q N 3.998 123.536 119.800 -0.436 0.000 2.364 43 Q HA 0.095 4.435 4.340 0.000 0.000 0.267 43 Q C -0.764 174.953 176.000 -0.472 0.000 0.999 43 Q CA -0.144 55.032 55.803 -1.045 0.000 0.886 43 Q CB 0.905 28.748 28.738 -1.490 0.000 1.243 43 Q HN 0.412 nan 8.270 nan 0.000 0.415 44 Q N 1.025 120.561 119.800 -0.439 0.000 2.215 44 Q HA 0.406 4.746 4.340 0.000 0.000 0.256 44 Q C -1.129 174.743 176.000 -0.214 0.000 0.972 44 Q CA -0.227 55.445 55.803 -0.217 0.000 0.889 44 Q CB 2.182 30.844 28.738 -0.127 0.000 1.281 44 Q HN 0.626 nan 8.270 nan 0.000 0.456 45 T N 1.977 116.452 114.554 -0.131 0.000 2.744 45 T HA 0.508 4.858 4.350 0.000 0.000 0.291 45 T C 0.035 174.683 174.700 -0.086 0.000 0.957 45 T CA -0.312 61.722 62.100 -0.110 0.000 1.002 45 T CB 0.047 68.867 68.868 -0.079 0.000 0.919 45 T HN 0.331 nan 8.240 nan 0.000 0.468 46 I N 4.438 124.952 120.570 -0.093 0.000 2.301 46 I HA 0.215 4.385 4.170 0.000 0.000 0.292 46 I C 0.691 176.783 176.117 -0.042 0.000 1.046 46 I CA -0.645 60.611 61.300 -0.073 0.000 1.282 46 I CB 0.516 38.448 38.000 -0.114 0.000 1.409 46 I HN 0.494 nan 8.210 nan 0.000 0.484 47 N N 5.718 124.406 118.700 -0.020 0.000 2.472 47 N HA 0.459 5.199 4.740 0.000 0.000 0.277 47 N C -0.083 175.435 175.510 0.014 0.000 1.081 47 N CA 0.623 53.668 53.050 -0.008 0.000 0.973 47 N CB 1.481 39.961 38.487 -0.012 0.000 1.105 47 N HN 0.893 nan 8.380 nan 0.000 0.470 48 G N 1.212 110.020 108.800 0.013 0.000 2.555 48 G HA2 -0.148 3.812 3.960 0.000 0.000 0.686 48 G HA3 -0.148 3.812 3.960 0.000 0.000 0.686 48 G C -1.047 173.861 174.900 0.013 0.000 1.275 48 G CA -0.405 44.711 45.100 0.026 0.000 0.871 48 G HN 0.640 nan 8.290 nan 0.000 0.603 49 S N -0.461 115.250 115.700 0.018 0.000 2.411 49 S HA 0.527 4.997 4.470 0.000 0.000 0.294 49 S C 0.631 175.229 174.600 -0.003 0.000 1.115 49 S CA -0.244 57.960 58.200 0.006 0.000 1.071 49 S CB 0.557 63.764 63.200 0.012 0.000 0.967 49 S HN 1.452 nan 8.310 nan 0.000 0.488 50 V N 5.425 125.326 119.914 -0.023 0.000 2.529 50 V HA 0.641 4.761 4.120 0.000 0.000 0.292 50 V C 1.136 177.181 176.094 -0.082 0.000 1.028 50 V CA 0.776 63.048 62.300 -0.047 0.000 1.074 50 V CB 0.207 31.999 31.823 -0.053 0.000 0.958 50 V HN 1.114 nan 8.190 nan 0.000 0.481 51 G N 3.670 112.395 108.800 -0.125 0.000 2.361 51 G HA2 0.395 4.355 3.960 0.000 0.000 0.299 51 G HA3 0.395 4.355 3.960 0.000 0.000 0.299 51 G C -1.099 173.704 174.900 -0.162 0.000 1.544 51 G CA -1.061 43.928 45.100 -0.185 0.000 0.860 51 G HN 0.305 nan 8.290 nan 0.000 0.610 52 F N 1.160 121.098 119.950 -0.020 0.000 2.635 52 F HA 0.328 4.855 4.527 0.000 0.000 0.379 52 F C 1.833 177.635 175.800 0.004 0.000 1.094 52 F CA 2.030 60.017 58.000 -0.021 0.000 1.300 52 F CB 0.744 39.742 39.000 -0.003 0.000 1.035 52 F HN 1.568 nan 8.300 nan 0.000 0.581 53 G N 1.885 110.804 108.800 0.198 0.000 2.166 53 G HA2 -0.344 3.616 3.960 0.000 0.000 0.260 53 G HA3 -0.344 3.616 3.960 0.000 0.000 0.260 53 G C 0.017 174.976 174.900 0.098 0.000 0.986 53 G CA 0.030 45.208 45.100 0.129 0.000 0.683 53 G HN 0.649 nan 8.290 nan 0.000 0.527 54 N N 0.280 119.029 118.700 0.081 0.000 2.487 54 N HA 0.549 5.289 4.740 0.000 0.000 0.292 54 N C -0.024 175.542 175.510 0.094 0.000 1.108 54 N CA -0.215 52.878 53.050 0.073 0.000 0.956 54 N CB 0.875 39.390 38.487 0.046 0.000 1.176 54 N HN 0.251 nan 8.380 nan 0.000 0.484 55 K N 0.796 121.258 120.400 0.103 0.000 2.213 55 K HA 0.560 4.880 4.320 0.000 0.000 0.270 55 K C -1.058 175.630 176.600 0.146 0.000 1.002 55 K CA -0.595 55.776 56.287 0.140 0.000 0.868 55 K CB 1.727 34.307 32.500 0.133 0.000 1.093 55 K HN 0.148 nan 8.250 nan 0.000 0.454 56 V N 1.512 121.543 119.914 0.194 0.000 3.102 56 V HA 0.573 4.693 4.120 0.000 0.000 0.312 56 V C -1.044 175.213 176.094 0.270 0.000 1.135 56 V CA -0.319 62.084 62.300 0.172 0.000 1.022 56 V CB 2.448 34.331 31.823 0.101 0.000 1.056 56 V HN 1.040 nan 8.190 nan 0.000 0.436 57 S N 1.718 117.522 115.700 0.174 0.000 2.688 57 S HA 0.805 5.275 4.470 0.000 0.000 0.275 57 S C -1.051 173.582 174.600 0.056 0.000 1.175 57 S CA -0.622 57.633 58.200 0.091 0.000 0.818 57 S CB 2.320 65.365 63.200 -0.258 0.000 1.157 57 S HN 0.771 nan 8.310 nan 0.000 0.482 58 T N 1.352 115.882 114.554 -0.040 0.000 3.032 58 T HA 0.452 4.802 4.350 0.000 0.000 0.312 58 T C -1.570 173.060 174.700 -0.117 0.000 1.078 58 T CA -0.542 61.544 62.100 -0.023 0.000 1.028 58 T CB 1.665 70.605 68.868 0.119 0.000 1.091 58 T HN 0.751 nan 8.240 nan 0.000 0.457 59 Q N 4.253 123.997 119.800 -0.092 0.000 2.368 59 Q HA 0.380 4.720 4.340 0.000 0.000 0.256 59 Q C -0.164 175.806 176.000 -0.051 0.000 0.980 59 Q CA -0.851 54.899 55.803 -0.088 0.000 0.887 59 Q CB 0.359 29.056 28.738 -0.068 0.000 1.221 59 Q HN 0.502 nan 8.270 nan 0.000 0.458 60 I N 3.795 124.335 120.570 -0.051 0.000 2.821 60 I HA -0.091 4.079 4.170 0.000 0.000 0.294 60 I C 0.655 176.781 176.117 0.016 0.000 1.210 60 I CA 0.713 62.002 61.300 -0.018 0.000 1.430 60 I CB -0.408 37.551 38.000 -0.068 0.000 1.356 60 I HN 0.724 nan 8.210 nan 0.000 0.563 61 S N 7.572 123.311 115.700 0.064 0.000 2.576 61 S HA 0.298 4.768 4.470 0.000 0.000 0.276 61 S C 0.505 175.153 174.600 0.079 0.000 1.339 61 S CA -0.785 57.438 58.200 0.040 0.000 1.039 61 S CB 0.937 64.137 63.200 -0.001 0.000 0.902 61 S HN 0.541 nan 8.310 nan 0.000 0.516 62 R N 2.219 122.723 120.500 0.007 0.000 4.390 62 R HA 0.215 4.555 4.340 0.000 0.000 0.229 62 R C 0.447 176.699 176.300 -0.079 0.000 1.674 62 R CA -0.306 55.792 56.100 -0.002 0.000 1.526 62 R CB -0.499 29.786 30.300 -0.026 0.000 1.418 62 R HN 0.654 nan 8.270 nan 0.000 0.790 63 N N 0.437 118.999 118.700 -0.230 0.000 2.148 63 N HA -0.060 4.680 4.740 0.000 0.000 0.186 63 N C 1.107 176.404 175.510 -0.355 0.000 1.031 63 N CA 1.004 53.821 53.050 -0.388 0.000 0.848 63 N CB 0.215 38.237 38.487 -0.775 0.000 1.005 63 N HN 0.342 nan 8.380 nan 0.000 0.427 64 G N 0.077 108.568 108.800 -0.515 0.000 2.705 64 G HA2 0.211 4.171 3.960 0.000 0.000 0.299 64 G HA3 0.211 4.171 3.960 0.000 0.000 0.299 64 G C 0.087 174.845 174.900 -0.236 0.000 1.315 64 G CA -0.301 44.453 45.100 -0.576 0.000 1.045 64 G HN -0.029 nan 8.290 nan 0.000 0.517 65 D N -0.959 119.259 120.400 -0.304 0.000 2.162 65 D HA 0.048 4.688 4.640 0.000 0.000 0.205 65 D C 0.863 176.988 176.300 -0.292 0.000 0.964 65 D CA 0.987 54.847 54.000 -0.233 0.000 0.847 65 D CB 0.298 40.967 40.800 -0.218 0.000 0.988 65 D HN 0.097 nan 8.370 nan 0.000 0.480 66 L N 0.564 121.591 121.223 -0.326 0.000 2.333 66 L HA 0.539 4.879 4.340 0.000 0.000 0.263 66 L C -0.355 176.304 176.870 -0.353 0.000 1.014 66 L CA -1.181 53.439 54.840 -0.366 0.000 0.820 66 L CB 2.726 44.537 42.059 -0.414 0.000 1.352 66 L HN -0.121 nan 8.230 nan 0.000 0.421 67 I N -2.066 118.248 120.570 -0.427 0.000 2.608 67 I HA 0.703 4.873 4.170 0.000 0.000 0.295 67 I C 0.085 176.045 176.117 -0.262 0.000 1.049 67 I CA -0.259 60.754 61.300 -0.478 0.000 1.063 67 I CB 2.198 39.793 38.000 -0.675 0.000 1.248 67 I HN 0.782 nan 8.210 nan 0.000 0.424 68 T N 0.237 114.723 114.554 -0.113 0.000 2.709 68 T HA 0.265 4.615 4.350 0.000 0.000 0.174 68 T C 0.328 175.088 174.700 0.101 0.000 0.774 68 T CA -0.127 62.001 62.100 0.047 0.000 1.309 68 T CB -0.386 68.471 68.868 -0.018 0.000 2.586 68 T HN 0.595 nan 8.240 nan 0.000 0.401 69 D N 1.198 121.610 120.400 0.020 0.000 2.382 69 D HA 0.448 5.088 4.640 0.000 0.000 0.240 69 D C -0.396 175.928 176.300 0.040 0.000 1.146 69 D CA 0.272 54.274 54.000 0.005 0.000 0.897 69 D CB 0.863 41.664 40.800 0.002 0.000 1.197 69 D HN 0.432 nan 8.370 nan 0.000 0.432 70 I N 1.062 121.656 120.570 0.040 0.000 2.571 70 I HA 0.192 4.362 4.170 0.000 0.000 0.289 70 I C -0.757 175.426 176.117 0.110 0.000 1.115 70 I CA -0.810 60.549 61.300 0.098 0.000 1.045 70 I CB 2.252 40.329 38.000 0.128 0.000 1.238 70 I HN -0.074 nan 8.210 nan 0.000 0.424 71 V N 6.579 126.587 119.914 0.157 0.000 2.604 71 V HA 0.449 4.569 4.120 0.000 0.000 0.305 71 V C -0.268 175.907 176.094 0.135 0.000 1.043 71 V CA -0.761 61.632 62.300 0.155 0.000 0.888 71 V CB 2.534 34.459 31.823 0.170 0.000 0.995 71 V HN 0.375 nan 8.190 nan 0.000 0.429 72 V N 3.921 123.845 119.914 0.018 0.000 2.370 72 V HA 0.383 4.503 4.120 0.000 0.000 0.283 72 V C 0.059 175.938 176.094 -0.358 0.000 1.023 72 V CA -0.545 61.611 62.300 -0.239 0.000 0.857 72 V CB 1.406 32.973 31.823 -0.427 0.000 0.985 72 V HN 0.895 nan 8.190 nan 0.000 0.443 73 E N 4.541 124.547 120.200 -0.323 0.000 2.174 73 E HA 0.516 4.866 4.350 0.000 0.000 0.282 73 E C -1.279 175.099 176.600 -0.369 0.000 0.992 73 E CA -0.171 56.031 56.400 -0.329 0.000 0.803 73 E CB 1.503 31.121 29.700 -0.137 0.000 1.090 73 E HN 0.549 nan 8.360 nan 0.000 0.396 74 F N 1.744 121.622 119.950 -0.119 0.000 2.532 74 F HA 0.416 4.943 4.527 0.000 0.000 0.321 74 F C -0.283 175.528 175.800 0.018 0.000 1.089 74 F CA -1.203 56.760 58.000 -0.062 0.000 0.926 74 F CB 1.762 40.717 39.000 -0.075 0.000 1.168 74 F HN 0.122 nan 8.300 nan 0.000 0.459 75 V N 5.230 125.288 119.914 0.241 0.000 2.378 75 V HA 0.484 4.604 4.120 0.000 0.000 0.288 75 V C -0.375 175.836 176.094 0.196 0.000 1.016 75 V CA -0.513 61.894 62.300 0.177 0.000 0.840 75 V CB 1.534 33.405 31.823 0.081 0.000 0.994 75 V HN 0.550 nan 8.190 nan 0.000 0.431 76 L N 3.480 124.903 121.223 0.333 0.000 2.309 76 L HA 0.762 5.102 4.340 0.000 0.000 0.261 76 L C -0.185 176.978 176.870 0.487 0.000 1.021 76 L CA -0.555 54.483 54.840 0.332 0.000 0.823 76 L CB 2.765 44.965 42.059 0.235 0.000 1.366 76 L HN 0.455 nan 8.230 nan 0.000 0.423 77 T N 0.437 115.222 114.554 0.384 0.000 2.812 77 T HA 0.290 4.640 4.350 0.000 0.000 0.282 77 T C -0.349 174.426 174.700 0.124 0.000 0.990 77 T CA -0.690 61.582 62.100 0.286 0.000 0.960 77 T CB 1.701 70.654 68.868 0.142 0.000 0.948 77 T HN 0.364 nan 8.240 nan 0.000 0.438 78 K N 1.171 121.467 120.400 -0.174 0.000 2.414 78 K HA 0.336 4.656 4.320 0.000 0.000 0.272 78 K C 1.128 177.564 176.600 -0.273 0.000 0.993 78 K CA 0.152 56.098 56.287 -0.568 0.000 0.964 78 K CB 0.348 32.265 32.500 -0.972 0.000 0.925 78 K HN 0.798 nan 8.250 nan 0.000 0.487 79 G N 1.294 109.945 108.800 -0.248 0.000 3.228 79 G HA2 0.256 4.216 3.960 0.000 0.000 0.245 79 G HA3 0.256 4.216 3.960 0.000 0.000 0.245 79 G C 0.251 175.055 174.900 -0.159 0.000 1.051 79 G CA 0.301 45.302 45.100 -0.164 0.000 0.809 79 G HN 0.743 nan 8.290 nan 0.000 0.531 80 G N -0.279 108.405 108.800 -0.195 0.000 3.166 80 G HA2 0.524 4.484 3.960 0.000 0.000 0.267 80 G HA3 0.524 4.484 3.960 0.000 0.000 0.267 80 G C -0.998 173.807 174.900 -0.158 0.000 1.256 80 G CA -0.594 44.419 45.100 -0.145 0.000 0.859 80 G HN 0.062 nan 8.290 nan 0.000 0.590 81 N N -0.901 117.737 118.700 -0.104 0.000 3.061 81 N HA 0.461 5.201 4.740 0.000 0.000 0.346 81 N C 0.541 176.017 175.510 -0.056 0.000 1.392 81 N CA 0.032 53.029 53.050 -0.089 0.000 0.762 81 N CB 0.004 38.460 38.487 -0.051 0.000 1.367 81 N HN 0.734 nan 8.380 nan 0.000 0.607 82 G N -1.128 107.658 108.800 -0.024 0.000 2.257 82 G HA2 0.267 4.227 3.960 0.000 0.000 0.235 82 G HA3 0.267 4.227 3.960 0.000 0.000 0.235 82 G C 0.989 175.917 174.900 0.047 0.000 1.225 82 G CA 0.666 45.776 45.100 0.017 0.000 0.878 82 G HN 0.926 nan 8.290 nan 0.000 0.505 83 G N 1.389 110.238 108.800 0.081 0.000 2.179 83 G HA2 -0.264 3.696 3.960 0.000 0.000 0.257 83 G HA3 -0.264 3.696 3.960 0.000 0.000 0.257 83 G C 0.897 175.898 174.900 0.168 0.000 1.010 83 G CA 0.955 46.127 45.100 0.120 0.000 0.736 83 G HN 1.128 nan 8.290 nan 0.000 0.513 84 T N -0.084 114.538 114.554 0.113 0.000 3.054 84 T HA 0.354 4.704 4.350 0.000 0.000 0.255 84 T C 0.833 175.543 174.700 0.017 0.000 1.035 84 T CA 1.097 63.242 62.100 0.073 0.000 0.941 84 T CB 0.626 69.477 68.868 -0.028 0.000 1.026 84 T HN 0.352 nan 8.240 nan 0.000 0.533 85 T N 1.173 115.805 114.554 0.130 0.000 2.887 85 T HA 0.565 4.915 4.350 0.000 0.000 0.288 85 T C -2.027 172.851 174.700 0.297 0.000 1.021 85 T CA -0.433 61.775 62.100 0.181 0.000 1.000 85 T CB 1.612 70.657 68.868 0.295 0.000 1.034 85 T HN 0.108 nan 8.240 nan 0.000 0.467 86 Y N 2.955 123.315 120.300 0.100 0.000 2.422 86 Y HA 0.318 4.868 4.550 0.000 0.000 0.344 86 Y C -0.941 175.085 175.900 0.211 0.000 1.097 86 Y CA -1.534 56.650 58.100 0.139 0.000 1.307 86 Y CB -0.096 38.533 38.460 0.281 0.000 1.102 86 Y HN 0.841 nan 8.280 nan 0.000 0.520 87 Y N 4.422 124.607 120.300 -0.191 0.000 3.078 87 Y HA -0.278 4.272 4.550 0.000 0.000 0.202 87 Y C -1.861 173.892 175.900 -0.246 0.000 1.322 87 Y CA 0.257 58.231 58.100 -0.210 0.000 1.118 87 Y CB -0.976 37.380 38.460 -0.173 0.000 1.343 87 Y HN 0.472 nan 8.280 nan 0.000 0.499 88 P HA -0.281 nan 4.420 nan 0.000 0.214 88 P C 1.626 178.690 177.300 -0.393 0.000 1.163 88 P CA 2.533 65.461 63.100 -0.288 0.000 0.883 88 P CB 0.095 31.637 31.700 -0.262 0.000 0.788 89 A N -0.290 122.216 122.820 -0.523 0.000 1.972 89 A HA -0.247 4.073 4.320 0.000 0.000 0.219 89 A C 2.325 179.866 177.584 -0.072 0.000 1.169 89 A CA 1.798 53.621 52.037 -0.356 0.000 0.635 89 A CB -1.239 17.576 19.000 -0.308 0.000 0.810 89 A HN 0.238 nan 8.150 nan 0.000 0.446 90 E N -0.250 119.924 120.200 -0.042 0.000 2.028 90 E HA -0.228 4.122 4.350 0.000 0.000 0.190 90 E C 2.030 178.582 176.600 -0.080 0.000 0.984 90 E CA 1.191 57.635 56.400 0.074 0.000 0.800 90 E CB -0.252 29.588 29.700 0.234 0.000 0.758 90 E HN 0.723 nan 8.360 nan 0.000 0.448 91 E N 0.629 120.636 120.200 -0.322 0.000 2.153 91 E HA -0.195 4.155 4.350 0.000 0.000 0.194 91 E C 2.325 178.763 176.600 -0.270 0.000 0.988 91 E CA 0.606 56.677 56.400 -0.549 0.000 0.811 91 E CB -0.120 28.915 29.700 -1.110 0.000 0.746 91 E HN 0.359 nan 8.360 nan 0.000 0.466 92 L N 0.784 121.851 121.223 -0.259 0.000 2.081 92 L HA -0.110 4.230 4.340 0.000 0.000 0.212 92 L C 1.319 178.116 176.870 -0.122 0.000 1.080 92 L CA 0.819 55.499 54.840 -0.266 0.000 0.754 92 L CB -0.036 41.654 42.059 -0.616 0.000 0.893 92 L HN 0.265 nan 8.230 nan 0.000 0.433 93 L N 0.690 121.910 121.223 -0.005 0.000 2.387 93 L HA -0.025 4.315 4.340 0.000 0.000 0.267 93 L C 1.337 178.192 176.870 -0.025 0.000 1.197 93 L CA -0.012 54.879 54.840 0.086 0.000 1.070 93 L CB 0.671 42.791 42.059 0.101 0.000 1.349 93 L HN 0.350 nan 8.230 nan 0.000 0.422 94 Q N 1.304 121.125 119.800 0.035 0.000 2.096 94 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 94 Q C -0.396 175.647 176.000 0.072 0.000 0.982 94 Q CA 1.340 57.183 55.803 0.067 0.000 0.850 94 Q CB 0.469 29.267 28.738 0.100 0.000 0.901 94 Q HN 0.584 nan 8.270 nan 0.000 0.422 95 D N -1.198 119.232 120.400 0.049 0.000 2.661 95 D HA 0.413 5.053 4.640 0.000 0.000 0.228 95 D C -1.493 174.806 176.300 -0.002 0.000 1.210 95 D CA -0.472 53.503 54.000 -0.041 0.000 0.826 95 D CB 2.496 43.265 40.800 -0.052 0.000 1.542 95 D HN -0.042 nan 8.370 nan 0.000 0.447 96 V N 0.424 120.315 119.914 -0.038 0.000 2.610 96 V HA 0.335 4.455 4.120 0.000 0.000 0.298 96 V C -0.504 175.638 176.094 0.079 0.000 1.067 96 V CA -0.787 61.518 62.300 0.009 0.000 0.894 96 V CB 2.182 34.083 31.823 0.130 0.000 1.015 96 V HN 0.509 nan 8.190 nan 0.000 0.432 97 E N 4.340 124.519 120.200 -0.034 0.000 2.158 97 E HA 0.537 4.887 4.350 0.000 0.000 0.271 97 E C -1.514 174.983 176.600 -0.172 0.000 0.911 97 E CA -0.722 55.648 56.400 -0.049 0.000 0.767 97 E CB 1.900 31.581 29.700 -0.031 0.000 1.120 97 E HN 0.611 nan 8.360 nan 0.000 0.405 98 L N 4.877 125.853 121.223 -0.412 0.000 2.272 98 L HA 0.455 4.795 4.340 0.000 0.000 0.289 98 L C -0.912 175.821 176.870 -0.229 0.000 1.032 98 L CA -0.097 54.425 54.840 -0.530 0.000 0.810 98 L CB 1.112 42.471 42.059 -1.167 0.000 1.205 98 L HN 0.804 nan 8.230 nan 0.000 0.422 99 E N 5.874 126.011 120.200 -0.105 0.000 2.222 99 E HA 0.514 4.864 4.350 0.000 0.000 0.267 99 E C -1.605 174.959 176.600 -0.061 0.000 0.884 99 E CA -0.674 55.705 56.400 -0.035 0.000 0.764 99 E CB 2.184 31.944 29.700 0.100 0.000 1.169 99 E HN 0.672 nan 8.360 nan 0.000 0.413 100 I N 3.000 123.523 120.570 -0.079 0.000 2.447 100 I HA 0.326 4.496 4.170 0.000 0.000 0.287 100 I C 0.638 176.602 176.117 -0.256 0.000 1.023 100 I CA -0.533 60.701 61.300 -0.110 0.000 1.083 100 I CB 1.961 39.927 38.000 -0.056 0.000 1.245 100 I HN 0.909 nan 8.210 nan 0.000 0.434 101 G N 4.159 112.748 108.800 -0.352 0.000 2.249 101 G HA2 -0.131 3.829 3.960 0.000 0.000 0.273 101 G HA3 -0.131 3.829 3.960 0.000 0.000 0.273 101 G C 0.992 175.680 174.900 -0.353 0.000 1.036 101 G CA 0.627 45.294 45.100 -0.721 0.000 0.824 101 G HN 1.553 nan 8.290 nan 0.000 0.504 102 G N -1.795 106.911 108.800 -0.156 0.000 2.199 102 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 102 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 102 G C 0.336 175.191 174.900 -0.074 0.000 0.982 102 G CA 1.211 46.267 45.100 -0.074 0.000 0.632 102 G HN 1.344 nan 8.290 nan 0.000 0.529 103 Q N 0.303 120.039 119.800 -0.108 0.000 2.257 103 Q HA 0.515 4.855 4.340 0.000 0.000 0.255 103 Q C 0.496 176.463 176.000 -0.056 0.000 0.920 103 Q CA -0.883 54.876 55.803 -0.073 0.000 0.927 103 Q CB 0.845 29.539 28.738 -0.074 0.000 1.229 103 Q HN 0.451 nan 8.270 nan 0.000 0.433 104 R N 4.433 124.907 120.500 -0.043 0.000 2.296 104 R HA 0.083 4.423 4.340 0.000 0.000 0.323 104 R C 0.257 176.541 176.300 -0.027 0.000 1.067 104 R CA 0.136 56.211 56.100 -0.041 0.000 0.946 104 R CB 0.283 30.561 30.300 -0.037 0.000 0.991 104 R HN 0.635 nan 8.270 nan 0.000 0.448 105 I N 1.449 121.995 120.570 -0.041 0.000 2.628 105 I HA 0.222 4.392 4.170 0.000 0.000 0.255 105 I C 0.193 176.315 176.117 0.008 0.000 1.119 105 I CA 0.750 62.044 61.300 -0.009 0.000 1.448 105 I CB -1.011 37.012 38.000 0.038 0.000 1.133 105 I HN 0.702 nan 8.210 nan 0.000 0.438 106 D N -0.154 120.220 120.400 -0.044 0.000 2.648 106 D HA 0.330 4.970 4.640 0.000 0.000 0.244 106 D C -1.182 175.151 176.300 0.055 0.000 1.244 106 D CA -0.530 53.500 54.000 0.050 0.000 0.772 106 D CB 2.170 43.061 40.800 0.153 0.000 1.379 106 D HN -0.104 nan 8.370 nan 0.000 0.428 107 K N 1.689 122.218 120.400 0.214 0.000 2.581 107 K HA 0.419 4.739 4.320 0.000 0.000 0.249 107 K C -1.440 175.336 176.600 0.293 0.000 0.966 107 K CA -0.590 55.799 56.287 0.170 0.000 0.811 107 K CB 0.805 33.322 32.500 0.029 0.000 1.223 107 K HN 0.404 nan 8.250 nan 0.000 0.438 108 H N 1.427 120.535 119.070 0.063 0.000 2.595 108 H HA 0.484 5.040 4.556 0.000 0.000 0.346 108 H C -0.931 174.307 175.328 -0.151 0.000 1.181 108 H CA -0.252 55.859 56.048 0.105 0.000 1.242 108 H CB 0.759 30.707 29.762 0.309 0.000 1.652 108 H HN 0.422 nan 8.280 nan 0.000 0.548 109 Y N -0.663 119.869 120.300 0.387 0.000 2.605 109 Y HA 0.149 4.699 4.550 0.000 0.000 0.343 109 Y C 1.583 177.553 175.900 0.117 0.000 1.036 109 Y CA -0.972 57.247 58.100 0.197 0.000 1.065 109 Y CB 0.799 39.339 38.460 0.134 0.000 1.288 109 Y HN 0.480 nan 8.280 nan 0.000 0.481 110 N N 1.103 119.938 118.700 0.225 0.000 2.021 110 N HA -0.265 4.475 4.740 0.000 0.000 0.198 110 N C 1.278 176.973 175.510 0.308 0.000 1.041 110 N CA 2.432 55.590 53.050 0.179 0.000 0.862 110 N CB -0.257 38.392 38.487 0.269 0.000 1.048 110 N HN 0.964 nan 8.380 nan 0.000 0.427 111 D N -0.518 120.064 120.400 0.304 0.000 2.264 111 D HA -0.134 4.506 4.640 0.000 0.000 0.208 111 D C 1.909 178.332 176.300 0.204 0.000 0.966 111 D CA 0.692 54.836 54.000 0.240 0.000 0.864 111 D CB -0.235 40.709 40.800 0.240 0.000 0.933 111 D HN 0.504 nan 8.370 nan 0.000 0.499 112 W N -0.039 121.290 121.300 0.048 0.000 2.381 112 W HA -0.217 4.443 4.660 0.000 0.000 0.301 112 W C 1.026 177.569 176.519 0.039 0.000 1.205 112 W CA 0.399 57.604 57.345 -0.233 0.000 1.285 112 W CB -0.359 29.028 29.460 -0.121 0.000 1.133 112 W HN -0.059 nan 8.180 nan 0.000 0.521 113 F N 1.369 121.145 119.950 -0.291 0.000 2.095 113 F HA -0.206 4.321 4.527 0.000 0.000 0.298 113 F C 2.723 178.344 175.800 -0.297 0.000 1.104 113 F CA 2.133 59.937 58.000 -0.327 0.000 1.232 113 F CB -1.488 37.496 39.000 -0.026 0.000 0.987 113 F HN -0.142 nan 8.300 nan 0.000 0.475 114 R N 0.072 120.590 120.500 0.030 0.000 2.073 114 R HA -0.129 4.211 4.340 0.000 0.000 0.234 114 R C 2.169 178.374 176.300 -0.159 0.000 1.134 114 R CA 2.224 58.271 56.100 -0.088 0.000 0.952 114 R CB -1.039 29.215 30.300 -0.076 0.000 0.850 114 R HN 0.182 nan 8.270 nan 0.000 0.433 115 T N -0.210 114.217 114.554 -0.210 0.000 2.777 115 T HA -0.160 4.190 4.350 0.000 0.000 0.266 115 T C 1.322 175.701 174.700 -0.535 0.000 1.040 115 T CA 1.489 63.383 62.100 -0.344 0.000 1.141 115 T CB -0.509 68.158 68.868 -0.334 0.000 0.868 115 T HN 0.351 nan 8.240 nan 0.000 0.444 116 Y N 2.046 121.768 120.300 -0.963 0.000 2.181 116 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 116 Y C 2.200 177.799 175.900 -0.502 0.000 1.146 116 Y CA 1.701 59.264 58.100 -0.894 0.000 1.164 116 Y CB -0.480 37.220 38.460 -1.266 0.000 0.982 116 Y HN 0.179 nan 8.280 nan 0.000 0.515 117 D N -0.229 119.888 120.400 -0.472 0.000 2.117 117 D HA -0.173 4.467 4.640 0.000 0.000 0.197 117 D C 2.194 178.264 176.300 -0.383 0.000 0.987 117 D CA 1.505 55.229 54.000 -0.459 0.000 0.829 117 D CB -0.354 40.211 40.800 -0.392 0.000 0.961 117 D HN 0.424 nan 8.370 nan 0.000 0.460 118 A N -0.420 122.199 122.820 -0.335 0.000 1.969 118 A HA -0.040 4.280 4.320 0.000 0.000 0.218 118 A C 2.244 179.601 177.584 -0.378 0.000 1.169 118 A CA 0.892 52.765 52.037 -0.273 0.000 0.635 118 A CB -0.443 18.427 19.000 -0.218 0.000 0.810 118 A HN 0.349 nan 8.150 nan 0.000 0.445 119 L N -2.879 118.010 121.223 -0.557 0.000 2.185 119 L HA 0.121 4.461 4.340 0.000 0.000 0.198 119 L C 2.107 178.401 176.870 -0.959 0.000 1.079 119 L CA 0.859 55.206 54.840 -0.821 0.000 0.780 119 L CB -0.230 41.163 42.059 -1.111 0.000 0.955 119 L HN 0.411 nan 8.230 nan 0.000 0.462 120 F N -0.788 118.744 119.950 -0.697 0.000 2.656 120 F HA 0.163 4.690 4.527 0.000 0.000 0.291 120 F C 1.448 176.923 175.800 -0.541 0.000 1.122 120 F CA -0.313 57.290 58.000 -0.662 0.000 1.427 120 F CB 0.058 38.539 39.000 -0.865 0.000 1.125 120 F HN -0.118 nan 8.300 nan 0.000 0.583 121 R N 1.638 121.885 120.500 -0.421 0.000 2.528 121 R HA 0.599 4.939 4.340 0.000 0.000 0.271 121 R C -0.505 175.701 176.300 -0.156 0.000 1.056 121 R CA -0.190 55.760 56.100 -0.250 0.000 1.117 121 R CB 0.741 30.875 30.300 -0.277 0.000 1.085 121 R HN 0.200 nan 8.270 nan 0.000 0.530 122 M N 0.075 119.632 119.600 -0.072 0.000 2.833 122 M HA 0.384 4.864 4.480 0.000 0.000 0.270 122 M C -0.758 175.550 176.300 0.012 0.000 1.209 122 M CA -0.890 54.388 55.300 -0.035 0.000 0.826 122 M CB 1.703 34.264 32.600 -0.066 0.000 1.657 122 M HN 0.820 nan 8.290 nan 0.000 0.492 123 N N -0.017 118.697 118.700 0.023 0.000 1.202 123 N HA -0.246 4.494 4.740 0.000 0.000 0.108 123 N C -0.294 175.269 175.510 0.089 0.000 0.816 123 N CA 1.504 54.576 53.050 0.036 0.000 0.848 123 N CB -0.970 37.524 38.487 0.012 0.000 0.972 123 N HN 0.890 nan 8.380 nan 0.000 0.645 124 D N -0.047 120.403 120.400 0.084 0.000 2.144 124 D HA -0.103 4.537 4.640 0.000 0.000 0.199 124 D C 1.417 177.808 176.300 0.153 0.000 0.984 124 D CA 1.510 55.594 54.000 0.140 0.000 0.834 124 D CB -0.642 40.217 40.800 0.098 0.000 0.955 124 D HN 0.436 nan 8.370 nan 0.000 0.465 125 D N 0.300 120.758 120.400 0.096 0.000 2.123 125 D HA -0.162 4.478 4.640 0.000 0.000 0.196 125 D C 1.991 178.368 176.300 0.128 0.000 0.992 125 D CA 0.985 55.036 54.000 0.085 0.000 0.833 125 D CB 0.060 40.886 40.800 0.044 0.000 0.954 125 D HN 0.011 nan 8.370 nan 0.000 0.455 126 R N -1.379 119.200 120.500 0.132 0.000 2.115 126 R HA -0.187 4.153 4.340 0.000 0.000 0.230 126 R C 2.092 178.565 176.300 0.289 0.000 1.111 126 R CA 1.036 57.244 56.100 0.181 0.000 0.976 126 R CB -0.425 29.950 30.300 0.124 0.000 0.870 126 R HN 0.335 nan 8.270 nan 0.000 0.445 127 Y N 1.232 121.613 120.300 0.135 0.000 2.263 127 Y HA -0.110 4.440 4.550 0.000 0.000 0.292 127 Y C 1.883 177.851 175.900 0.114 0.000 1.130 127 Y CA 1.601 59.775 58.100 0.124 0.000 1.179 127 Y CB -0.531 37.977 38.460 0.081 0.000 0.998 127 Y HN 0.132 nan 8.280 nan 0.000 0.532 128 N N -1.102 117.595 118.700 -0.006 0.000 2.188 128 N HA -0.266 4.474 4.740 0.000 0.000 0.184 128 N C 1.889 177.371 175.510 -0.046 0.000 1.018 128 N CA 1.149 54.137 53.050 -0.104 0.000 0.858 128 N CB -0.434 38.053 38.487 -0.000 0.000 0.989 128 N HN 0.491 nan 8.380 nan 0.000 0.426 129 Y N 1.902 122.190 120.300 -0.020 0.000 2.224 129 Y HA -0.115 4.435 4.550 0.000 0.000 0.289 129 Y C 2.548 178.499 175.900 0.085 0.000 1.146 129 Y CA 1.434 59.559 58.100 0.042 0.000 1.182 129 Y CB -0.304 38.198 38.460 0.070 0.000 0.983 129 Y HN -0.044 nan 8.280 nan 0.000 0.524 130 R N 0.159 120.657 120.500 -0.004 0.000 2.115 130 R HA -0.075 4.265 4.340 0.000 0.000 0.226 130 R C 2.306 178.458 176.300 -0.246 0.000 1.100 130 R CA 1.149 57.199 56.100 -0.084 0.000 0.980 130 R CB -0.115 30.200 30.300 0.025 0.000 0.875 130 R HN 0.297 nan 8.270 nan 0.000 0.445 131 R N -0.325 119.978 120.500 -0.328 0.000 2.120 131 R HA -0.061 4.279 4.340 0.000 0.000 0.234 131 R C 2.105 178.281 176.300 -0.207 0.000 1.123 131 R CA 1.706 57.619 56.100 -0.311 0.000 0.975 131 R CB -0.139 29.941 30.300 -0.368 0.000 0.866 131 R HN 0.286 nan 8.270 nan 0.000 0.446 132 M N -0.872 118.629 119.600 -0.165 0.000 2.492 132 M HA -0.028 4.452 4.480 0.000 0.000 0.262 132 M C 1.180 177.491 176.300 0.018 0.000 1.090 132 M CA 1.186 56.459 55.300 -0.045 0.000 1.110 132 M CB 0.478 33.072 32.600 -0.009 0.000 1.407 132 M HN -0.012 nan 8.290 nan 0.000 0.470 133 T N -0.295 114.198 114.554 -0.101 0.000 3.001 133 T HA 0.074 4.424 4.350 0.000 0.000 0.251 133 T C -0.101 174.563 174.700 -0.061 0.000 1.040 133 T CA 0.165 62.232 62.100 -0.056 0.000 0.985 133 T CB 0.155 68.896 68.868 -0.212 0.000 1.011 133 T HN 0.491 nan 8.240 nan 0.000 0.509 134 D N -1.293 119.106 120.400 -0.001 0.000 2.792 134 D HA 0.024 4.664 4.640 0.000 0.000 0.335 134 D C -1.482 174.808 176.300 -0.016 0.000 1.353 134 D CA -0.880 53.118 54.000 -0.002 0.000 0.839 134 D CB 0.077 40.798 40.800 -0.132 0.000 1.396 134 D HN -0.000 nan 8.370 nan 0.000 0.479 135 W N 0.826 122.220 121.300 0.156 0.000 2.345 135 W HA 0.409 5.069 4.660 0.000 0.000 0.308 135 W C 0.925 177.463 176.519 0.031 0.000 1.273 135 W CA -0.580 56.814 57.345 0.081 0.000 1.243 135 W CB 1.431 30.945 29.460 0.090 0.000 1.260 135 W HN 0.347 nan 8.180 nan 0.000 0.509 136 V N 0.094 120.130 119.914 0.202 0.000 3.252 136 V HA 0.234 4.354 4.120 0.000 0.000 0.320 136 V C 0.234 176.434 176.094 0.177 0.000 1.459 136 V CA -0.027 62.375 62.300 0.170 0.000 1.095 136 V CB -0.168 31.736 31.823 0.135 0.000 0.997 136 V HN 0.554 nan 8.190 nan 0.000 0.469 137 N N 2.585 121.393 118.700 0.179 0.000 2.338 137 N HA 0.199 4.939 4.740 0.000 0.000 0.251 137 N C -0.009 175.570 175.510 0.115 0.000 1.199 137 N CA 0.209 53.342 53.050 0.139 0.000 0.879 137 N CB 0.327 38.888 38.487 0.123 0.000 1.159 137 N HN 0.539 nan 8.380 nan 0.000 0.514 138 N N 0.944 119.712 118.700 0.113 0.000 2.753 138 N HA -0.164 4.576 4.740 0.000 0.000 0.251 138 N C -0.385 175.146 175.510 0.035 0.000 1.097 138 N CA 0.888 53.980 53.050 0.069 0.000 0.786 138 N CB -1.127 37.392 38.487 0.053 0.000 1.137 138 N HN 0.541 nan 8.380 nan 0.000 0.566 139 E N 0.807 121.037 120.200 0.049 0.000 2.492 139 E HA 0.023 4.373 4.350 0.000 0.000 0.266 139 E C 0.995 177.520 176.600 -0.126 0.000 1.047 139 E CA 0.484 56.870 56.400 -0.024 0.000 0.968 139 E CB 0.934 30.627 29.700 -0.012 0.000 0.960 139 E HN 0.346 nan 8.360 nan 0.000 0.452 140 L N 0.540 121.684 121.223 -0.131 0.000 2.491 140 L HA 0.331 4.671 4.340 0.000 0.000 0.264 140 L C 0.385 177.135 176.870 -0.199 0.000 1.053 140 L CA -1.382 53.375 54.840 -0.138 0.000 0.858 140 L CB 0.584 42.597 42.059 -0.078 0.000 1.519 140 L HN 0.258 nan 8.230 nan 0.000 0.508 141 V N 0.776 120.598 119.914 -0.153 0.000 2.901 141 V HA 0.102 4.222 4.120 0.000 0.000 0.307 141 V C 1.224 177.241 176.094 -0.128 0.000 1.084 141 V CA 1.622 63.831 62.300 -0.153 0.000 1.184 141 V CB 0.377 32.139 31.823 -0.101 0.000 0.941 141 V HN 1.038 nan 8.190 nan 0.000 0.493 142 G N 3.007 111.734 108.800 -0.123 0.000 2.234 142 G HA2 -0.177 3.783 3.960 0.000 0.000 0.260 142 G HA3 -0.177 3.783 3.960 0.000 0.000 0.260 142 G C 0.507 175.382 174.900 -0.041 0.000 0.987 142 G CA 0.283 45.343 45.100 -0.066 0.000 0.625 142 G HN 1.708 nan 8.290 nan 0.000 0.532 143 A N 0.263 123.027 122.820 -0.094 0.000 2.520 143 A HA 0.554 4.874 4.320 0.000 0.000 0.245 143 A C 0.493 178.186 177.584 0.181 0.000 1.072 143 A CA 1.203 53.242 52.037 0.003 0.000 0.761 143 A CB 0.401 19.353 19.000 -0.081 0.000 1.004 143 A HN 0.819 nan 8.150 nan 0.000 0.499 144 Q N 2.029 121.975 119.800 0.243 0.000 2.331 144 Q HA 0.549 4.889 4.340 0.000 0.000 0.267 144 Q C -0.817 175.325 176.000 0.235 0.000 1.006 144 Q CA -0.556 55.424 55.803 0.295 0.000 0.818 144 Q CB 1.117 29.949 28.738 0.157 0.000 1.276 144 Q HN 0.783 nan 8.270 nan 0.000 0.450 145 K N 2.433 122.941 120.400 0.179 0.000 2.433 145 K HA 0.490 4.810 4.320 0.000 0.000 0.252 145 K C -1.079 175.216 176.600 -0.509 0.000 1.015 145 K CA -0.875 55.239 56.287 -0.289 0.000 0.860 145 K CB 1.708 33.759 32.500 -0.750 0.000 1.359 145 K HN 0.447 nan 8.250 nan 0.000 0.452 146 R N 2.104 122.224 120.500 -0.634 0.000 2.294 146 R HA 0.347 4.687 4.340 0.000 0.000 0.319 146 R C -1.232 174.530 176.300 -0.897 0.000 0.984 146 R CA -0.284 55.474 56.100 -0.569 0.000 0.861 146 R CB 0.146 30.216 30.300 -0.383 0.000 1.104 146 R HN 0.412 nan 8.270 nan 0.000 0.451 147 F N 2.943 122.618 119.950 -0.457 0.000 2.492 147 F HA 0.424 4.951 4.527 0.000 0.000 0.327 147 F C -0.309 175.157 175.800 -0.555 0.000 1.079 147 F CA -0.748 57.018 58.000 -0.390 0.000 0.967 147 F CB 1.328 40.195 39.000 -0.220 0.000 1.169 147 F HN 0.327 nan 8.300 nan 0.000 0.472 148 Y N 1.264 121.599 120.300 0.058 0.000 2.332 148 Y HA 0.542 5.092 4.550 0.000 0.000 0.326 148 Y C -0.713 175.210 175.900 0.039 0.000 0.978 148 Y CA -1.124 56.977 58.100 0.000 0.000 1.205 148 Y CB 1.659 40.087 38.460 -0.053 0.000 1.131 148 Y HN 0.205 nan 8.280 nan 0.000 0.462 149 V N 6.194 126.206 119.914 0.163 0.000 2.277 149 V HA 0.292 4.412 4.120 0.000 0.000 0.269 149 V C -2.176 174.058 176.094 0.235 0.000 1.036 149 V CA -2.054 60.385 62.300 0.232 0.000 0.821 149 V CB 0.754 32.725 31.823 0.247 0.000 1.052 149 V HN 0.520 nan 8.190 nan 0.000 0.462 150 P HA 0.206 nan 4.420 nan 0.000 0.276 150 P C -0.130 177.198 177.300 0.046 0.000 1.243 150 P CA -0.092 63.079 63.100 0.119 0.000 0.768 150 P CB 1.183 32.934 31.700 0.085 0.000 0.856 151 L N 4.423 125.654 121.223 0.013 0.000 2.473 151 L HA 0.214 4.554 4.340 0.000 0.000 0.268 151 L C 1.548 178.210 176.870 -0.348 0.000 1.215 151 L CA -0.131 54.644 54.840 -0.107 0.000 0.823 151 L CB 0.131 42.155 42.059 -0.058 0.000 1.099 151 L HN 0.430 nan 8.230 nan 0.000 0.483 152 I N -2.279 117.950 120.570 -0.569 0.000 3.083 152 I HA 0.285 4.455 4.170 0.000 0.000 0.336 152 I C -0.277 175.569 176.117 -0.453 0.000 1.497 152 I CA -0.468 60.503 61.300 -0.547 0.000 0.936 152 I CB -0.044 37.502 38.000 -0.757 0.000 1.671 152 I HN 0.214 nan 8.210 nan 0.000 0.535 153 F N 0.996 120.689 119.950 -0.429 0.000 2.373 153 F HA 0.298 4.825 4.527 0.000 0.000 0.302 153 F C 1.766 177.285 175.800 -0.467 0.000 1.247 153 F CA -0.600 57.103 58.000 -0.494 0.000 1.169 153 F CB 0.297 38.804 39.000 -0.822 0.000 1.309 153 F HN 0.205 nan 8.300 nan 0.000 0.537 154 F N 0.324 120.266 119.950 -0.014 0.000 2.091 154 F HA -0.284 4.243 4.527 0.000 0.000 0.299 154 F C 1.802 177.598 175.800 -0.007 0.000 1.103 154 F CA 1.164 59.168 58.000 0.008 0.000 1.228 154 F CB -1.753 37.300 39.000 0.089 0.000 0.984 154 F HN 0.297 nan 8.300 nan 0.000 0.477 155 F N 0.233 119.742 119.950 -0.735 0.000 2.748 155 F HA 0.266 4.793 4.527 0.000 0.000 0.299 155 F C 1.373 177.029 175.800 -0.239 0.000 1.154 155 F CA 0.154 57.910 58.000 -0.408 0.000 1.446 155 F CB -1.282 37.354 39.000 -0.607 0.000 1.112 155 F HN -0.066 nan 8.300 nan 0.000 0.584 156 N N 0.615 118.950 118.700 -0.609 0.000 2.412 156 N HA -0.033 4.707 4.740 0.000 0.000 0.184 156 N C 1.272 176.667 175.510 -0.191 0.000 1.101 156 N CA 0.533 53.362 53.050 -0.368 0.000 0.881 156 N CB -0.130 38.088 38.487 -0.448 0.000 0.969 156 N HN 0.593 nan 8.380 nan 0.000 0.459 157 Q N -0.325 119.390 119.800 -0.142 0.000 2.350 157 Q HA 0.155 4.495 4.340 0.000 0.000 0.225 157 Q C -0.264 175.732 176.000 -0.007 0.000 0.878 157 Q CA 0.631 56.392 55.803 -0.071 0.000 0.935 157 Q CB 0.993 29.695 28.738 -0.060 0.000 1.099 157 Q HN 0.096 nan 8.270 nan 0.000 0.527 158 T N 1.369 115.938 114.554 0.025 0.000 3.071 158 T HA 0.181 4.531 4.350 0.000 0.000 0.311 158 T C -2.403 172.330 174.700 0.054 0.000 1.042 158 T CA -1.057 61.073 62.100 0.051 0.000 1.028 158 T CB 2.289 71.213 68.868 0.093 0.000 1.068 158 T HN -0.145 nan 8.240 nan 0.000 0.451 159 P HA 0.007 nan 4.420 nan 0.000 0.230 159 P C 1.553 178.875 177.300 0.037 0.000 1.158 159 P CA 0.514 63.610 63.100 -0.006 0.000 0.769 159 P CB -0.108 31.552 31.700 -0.066 0.000 0.807 160 G N 0.121 108.967 108.800 0.076 0.000 2.509 160 G HA2 -0.109 3.851 3.960 0.000 0.000 0.218 160 G HA3 -0.109 3.851 3.960 0.000 0.000 0.218 160 G C 1.295 176.331 174.900 0.225 0.000 1.124 160 G CA 0.196 45.370 45.100 0.124 0.000 0.776 160 G HN 0.282 nan 8.290 nan 0.000 0.547 161 L N 0.677 122.043 121.223 0.239 0.000 2.857 161 L HA 0.405 4.745 4.340 0.000 0.000 0.249 161 L C 1.377 178.366 176.870 0.199 0.000 1.172 161 L CA -0.669 54.380 54.840 0.347 0.000 0.980 161 L CB 0.314 42.627 42.059 0.423 0.000 1.299 161 L HN 0.135 nan 8.230 nan 0.000 0.535 162 A N 1.438 124.324 122.820 0.111 0.000 2.600 162 A HA -0.066 4.254 4.320 0.000 0.000 0.244 162 A C 0.373 177.839 177.584 -0.198 0.000 1.016 162 A CA 0.189 52.203 52.037 -0.039 0.000 0.778 162 A CB -0.013 18.928 19.000 -0.097 0.000 0.920 162 A HN 0.233 nan 8.150 nan 0.000 0.513 163 L N 6.060 127.044 121.223 -0.398 0.000 2.477 163 L HA 0.201 4.541 4.340 0.000 0.000 0.272 163 L C -1.821 174.799 176.870 -0.416 0.000 1.157 163 L CA -1.100 53.415 54.840 -0.542 0.000 0.889 163 L CB 1.095 42.545 42.059 -1.015 0.000 1.158 163 L HN 0.484 nan 8.230 nan 0.000 0.473 164 P HA 0.117 nan 4.420 nan 0.000 0.251 164 P C 0.884 178.091 177.300 -0.155 0.000 1.718 164 P CA -0.345 62.628 63.100 -0.212 0.000 1.119 164 P CB 0.588 32.299 31.700 0.018 0.000 1.762 165 L N 3.352 124.453 121.223 -0.203 0.000 2.042 165 L HA -0.177 4.163 4.340 0.000 0.000 0.210 165 L C 2.418 179.231 176.870 -0.094 0.000 1.076 165 L CA 1.585 56.339 54.840 -0.142 0.000 0.749 165 L CB -0.734 41.246 42.059 -0.130 0.000 0.893 165 L HN 0.264 nan 8.230 nan 0.000 0.432 166 I N -2.425 118.088 120.570 -0.095 0.000 2.800 166 I HA -0.158 4.012 4.170 0.000 0.000 0.266 166 I C 2.079 178.195 176.117 -0.002 0.000 1.249 166 I CA 1.214 62.484 61.300 -0.050 0.000 1.458 166 I CB -0.592 37.389 38.000 -0.032 0.000 1.093 166 I HN 0.107 nan 8.210 nan 0.000 0.466 167 A N 0.899 123.739 122.820 0.033 0.000 2.343 167 A HA 0.476 4.796 4.320 0.000 0.000 0.223 167 A C 1.483 179.088 177.584 0.036 0.000 1.214 167 A CA -0.139 51.960 52.037 0.102 0.000 0.900 167 A CB 0.019 19.179 19.000 0.267 0.000 0.942 167 A HN 0.438 nan 8.150 nan 0.000 0.507 168 L N 0.301 121.512 121.223 -0.020 0.000 3.108 168 L HA 0.168 4.508 4.340 0.000 0.000 0.251 168 L C 1.734 178.542 176.870 -0.103 0.000 1.315 168 L CA 0.001 54.827 54.840 -0.024 0.000 1.048 168 L CB 0.266 42.339 42.059 0.022 0.000 1.432 168 L HN 0.606 nan 8.230 nan 0.000 0.543 169 Q N 0.774 120.422 119.800 -0.254 0.000 2.173 169 Q HA -0.232 4.108 4.340 0.000 0.000 0.208 169 Q C 0.858 176.584 176.000 -0.457 0.000 0.989 169 Q CA 2.255 57.799 55.803 -0.431 0.000 0.872 169 Q CB -0.053 28.279 28.738 -0.678 0.000 0.909 169 Q HN 0.647 nan 8.270 nan 0.000 0.420 170 Y N -1.421 118.856 120.300 -0.038 0.000 2.485 170 Y HA 0.291 4.841 4.550 0.000 0.000 0.260 170 Y C -0.134 175.829 175.900 0.105 0.000 1.173 170 Y CA -0.577 57.515 58.100 -0.014 0.000 1.252 170 Y CB 0.493 38.911 38.460 -0.070 0.000 1.123 170 Y HN 0.085 nan 8.280 nan 0.000 0.524 171 H N 1.213 120.330 119.070 0.079 0.000 2.505 171 H HA 0.296 4.851 4.556 0.000 0.000 0.338 171 H C -0.460 174.869 175.328 0.001 0.000 1.057 171 H CA -1.888 54.189 56.048 0.049 0.000 1.202 171 H CB 0.996 30.784 29.762 0.043 0.000 1.466 171 H HN 0.309 nan 8.280 nan 0.000 0.499 172 E N 1.305 121.563 120.200 0.096 0.000 2.313 172 E HA 0.424 4.774 4.350 0.000 0.000 0.276 172 E C -0.748 175.835 176.600 -0.028 0.000 1.031 172 E CA -0.773 55.638 56.400 0.018 0.000 0.857 172 E CB 1.055 30.761 29.700 0.009 0.000 1.040 172 E HN 0.105 nan 8.360 nan 0.000 0.408 173 V N 3.684 123.564 119.914 -0.057 0.000 2.328 173 V HA 0.318 4.438 4.120 0.000 0.000 0.278 173 V C -0.153 175.874 176.094 -0.112 0.000 1.021 173 V CA -0.668 61.572 62.300 -0.099 0.000 0.838 173 V CB 0.426 32.159 31.823 -0.150 0.000 0.999 173 V HN 0.618 nan 8.190 nan 0.000 0.447 174 K N 4.895 125.222 120.400 -0.123 0.000 2.385 174 K HA 0.783 5.103 4.320 0.000 0.000 0.248 174 K C -1.400 175.054 176.600 -0.244 0.000 0.955 174 K CA -0.803 55.364 56.287 -0.200 0.000 0.816 174 K CB 2.876 35.217 32.500 -0.265 0.000 1.250 174 K HN 0.424 nan 8.250 nan 0.000 0.434 175 L N 2.478 123.488 121.223 -0.353 0.000 2.362 175 L HA 0.469 4.809 4.340 0.000 0.000 0.275 175 L C -1.404 175.068 176.870 -0.663 0.000 0.998 175 L CA -0.909 53.657 54.840 -0.457 0.000 0.820 175 L CB 1.088 42.876 42.059 -0.453 0.000 1.270 175 L HN 0.558 nan 8.230 nan 0.000 0.415 176 Y N 2.737 122.737 120.300 -0.500 0.000 2.345 176 Y HA 0.492 5.042 4.550 0.000 0.000 0.331 176 Y C -0.434 175.248 175.900 -0.363 0.000 0.959 176 Y CA -0.537 57.387 58.100 -0.294 0.000 1.204 176 Y CB 1.177 39.558 38.460 -0.132 0.000 1.135 176 Y HN 0.258 nan 8.280 nan 0.000 0.477 177 F N 0.599 120.636 119.950 0.146 0.000 2.470 177 F HA 0.715 5.242 4.527 0.000 0.000 0.329 177 F C 0.252 176.119 175.800 0.111 0.000 1.072 177 F CA -1.003 57.066 58.000 0.115 0.000 0.989 177 F CB 1.709 40.766 39.000 0.096 0.000 1.193 177 F HN 0.150 nan 8.300 nan 0.000 0.481 178 T N 3.330 118.054 114.554 0.282 0.000 2.881 178 T HA 0.508 4.858 4.350 0.000 0.000 0.291 178 T C -0.598 174.198 174.700 0.161 0.000 0.990 178 T CA -0.595 61.618 62.100 0.188 0.000 0.976 178 T CB 0.728 69.680 68.868 0.140 0.000 0.970 178 T HN 0.330 nan 8.240 nan 0.000 0.438 179 L N 2.635 123.934 121.223 0.125 0.000 2.312 179 L HA 0.670 5.010 4.340 0.000 0.000 0.281 179 L C 1.077 177.994 176.870 0.077 0.000 1.070 179 L CA -1.059 53.821 54.840 0.067 0.000 0.805 179 L CB 0.781 42.838 42.059 -0.003 0.000 1.174 179 L HN 0.686 nan 8.230 nan 0.000 0.434 180 A N 2.065 124.919 122.820 0.057 0.000 2.492 180 A HA 0.204 4.524 4.320 0.000 0.000 0.236 180 A C 1.147 178.816 177.584 0.141 0.000 1.078 180 A CA 0.405 52.483 52.037 0.068 0.000 0.773 180 A CB 0.320 19.324 19.000 0.006 0.000 1.023 180 A HN 0.918 nan 8.150 nan 0.000 0.504 181 S N -0.038 115.705 115.700 0.071 0.000 2.468 181 S HA 0.116 4.586 4.470 0.000 0.000 0.226 181 S C 0.485 175.024 174.600 -0.101 0.000 1.051 181 S CA 0.337 58.577 58.200 0.066 0.000 0.943 181 S CB -0.028 63.189 63.200 0.028 0.000 0.810 181 S HN 0.728 nan 8.310 nan 0.000 0.509 182 Q N 1.037 120.726 119.800 -0.185 0.000 2.310 182 Q HA 0.656 4.996 4.340 0.000 0.000 0.270 182 Q C -1.892 173.979 176.000 -0.215 0.000 1.025 182 Q CA -0.597 55.010 55.803 -0.326 0.000 0.772 182 Q CB 2.653 30.988 28.738 -0.671 0.000 1.253 182 Q HN 0.165 nan 8.270 nan 0.000 0.450 183 V N 2.542 122.341 119.914 -0.191 0.000 2.409 183 V HA 0.137 4.257 4.120 0.000 0.000 0.290 183 V C -0.196 175.833 176.094 -0.109 0.000 1.017 183 V CA -0.881 61.334 62.300 -0.141 0.000 0.841 183 V CB 1.487 33.245 31.823 -0.109 0.000 1.003 183 V HN 0.727 nan 8.190 nan 0.000 0.426 184 Q N 3.738 123.470 119.800 -0.114 0.000 2.304 184 Q HA 0.318 4.658 4.340 0.000 0.000 0.315 184 Q C 1.245 177.139 176.000 -0.177 0.000 1.075 184 Q CA 1.805 57.499 55.803 -0.182 0.000 0.988 184 Q CB 0.341 28.902 28.738 -0.294 0.000 1.146 184 Q HN 1.386 nan 8.270 nan 0.000 0.383 185 G N 1.828 110.508 108.800 -0.200 0.000 2.179 185 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 185 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 185 G C 0.365 175.194 174.900 -0.118 0.000 0.977 185 G CA 0.302 45.304 45.100 -0.165 0.000 0.641 185 G HN 0.654 nan 8.290 nan 0.000 0.533 186 V N -0.756 119.112 119.914 -0.075 0.000 3.054 186 V HA 0.246 4.366 4.120 0.000 0.000 0.227 186 V C 1.961 178.009 176.094 -0.076 0.000 1.252 186 V CA 1.573 63.862 62.300 -0.019 0.000 1.279 186 V CB 0.255 32.125 31.823 0.079 0.000 1.118 186 V HN 0.239 nan 8.190 nan 0.000 0.504 187 N N -1.577 117.026 118.700 -0.162 0.000 2.428 187 N HA 0.140 4.880 4.740 0.000 0.000 0.181 187 N C -0.239 175.123 175.510 -0.247 0.000 1.028 187 N CA 0.701 53.570 53.050 -0.302 0.000 0.877 187 N CB 0.341 38.493 38.487 -0.559 0.000 1.064 187 N HN 0.419 nan 8.380 nan 0.000 0.434 188 Y N -0.821 119.333 120.300 -0.243 0.000 2.633 188 Y HA 0.478 5.028 4.550 0.000 0.000 0.339 188 Y C -0.575 175.219 175.900 -0.177 0.000 1.045 188 Y CA -1.308 56.681 58.100 -0.184 0.000 1.098 188 Y CB 1.382 39.742 38.460 -0.167 0.000 1.296 188 Y HN -0.155 nan 8.280 nan 0.000 0.494 189 N N 0.634 119.354 118.700 0.034 0.000 2.617 189 N HA 0.465 5.205 4.740 0.000 0.000 0.263 189 N C 0.090 175.629 175.510 0.048 0.000 1.074 189 N CA 0.678 53.709 53.050 -0.032 0.000 0.841 189 N CB 0.738 39.200 38.487 -0.043 0.000 1.221 189 N HN 0.954 nan 8.380 nan 0.000 0.529 190 G N 2.444 111.271 108.800 0.044 0.000 2.543 190 G HA2 -0.320 3.640 3.960 0.000 0.000 0.286 190 G HA3 -0.320 3.640 3.960 0.000 0.000 0.286 190 G C 0.571 175.533 174.900 0.103 0.000 1.153 190 G CA 0.590 45.756 45.100 0.110 0.000 0.968 190 G HN 1.225 nan 8.290 nan 0.000 0.544 191 S N -0.624 115.144 115.700 0.114 0.000 2.554 191 S HA 0.570 5.040 4.470 0.000 0.000 0.226 191 S C 0.552 175.313 174.600 0.268 0.000 0.980 191 S CA 0.978 59.255 58.200 0.128 0.000 0.939 191 S CB 0.570 63.807 63.200 0.062 0.000 0.832 191 S HN 1.151 nan 8.310 nan 0.000 0.486 192 S N 2.744 118.576 115.700 0.221 0.000 2.422 192 S HA 0.704 5.174 4.470 0.000 0.000 0.298 192 S C 0.423 174.963 174.600 -0.099 0.000 1.118 192 S CA -0.653 57.602 58.200 0.092 0.000 1.083 192 S CB 1.020 64.231 63.200 0.018 0.000 0.971 192 S HN 0.687 nan 8.310 nan 0.000 0.478 193 A N 3.924 126.507 122.820 -0.395 0.000 2.520 193 A HA 0.359 4.679 4.320 0.000 0.000 0.235 193 A C 0.093 177.367 177.584 -0.516 0.000 1.065 193 A CA -0.068 51.350 52.037 -1.032 0.000 0.764 193 A CB -0.137 18.420 19.000 -0.738 0.000 1.002 193 A HN 0.845 nan 8.150 nan 0.000 0.502 194 I N 1.767 122.035 120.570 -0.503 0.000 2.339 194 I HA 0.384 4.554 4.170 0.000 0.000 0.290 194 I C 0.847 176.836 176.117 -0.213 0.000 0.994 194 I CA -0.287 60.849 61.300 -0.273 0.000 1.191 194 I CB 1.400 39.267 38.000 -0.222 0.000 1.343 194 I HN 0.756 nan 8.210 nan 0.000 0.458 195 A N 4.398 127.129 122.820 -0.148 0.000 2.462 195 A HA 0.506 4.826 4.320 0.000 0.000 0.243 195 A C 1.270 178.807 177.584 -0.078 0.000 1.076 195 A CA 0.683 52.657 52.037 -0.105 0.000 0.773 195 A CB 0.074 19.027 19.000 -0.078 0.000 1.010 195 A HN 1.201 nan 8.150 nan 0.000 0.493 196 G N 0.534 109.300 108.800 -0.056 0.000 2.253 196 G HA2 0.101 4.061 3.960 0.000 0.000 0.251 196 G HA3 0.101 4.061 3.960 0.000 0.000 0.251 196 G C 0.776 175.665 174.900 -0.019 0.000 0.998 196 G CA 0.538 45.619 45.100 -0.032 0.000 0.621 196 G HN 2.363 nan 8.290 nan 0.000 0.524 197 A N 0.566 123.364 122.820 -0.037 0.000 2.583 197 A HA 0.530 4.850 4.320 0.000 0.000 0.249 197 A C 1.096 178.722 177.584 0.071 0.000 1.035 197 A CA 1.480 53.515 52.037 -0.004 0.000 0.777 197 A CB -0.079 18.880 19.000 -0.068 0.000 0.942 197 A HN 2.184 nan 8.150 nan 0.000 0.516 198 A N 3.819 126.699 122.820 0.101 0.000 2.354 198 A HA 0.534 4.854 4.320 0.000 0.000 0.269 198 A C 0.695 178.380 177.584 0.168 0.000 1.109 198 A CA -0.548 51.553 52.037 0.107 0.000 0.800 198 A CB 0.253 19.298 19.000 0.076 0.000 1.045 198 A HN 1.057 nan 8.150 nan 0.000 0.489 199 Q N 2.629 122.482 119.800 0.088 0.000 2.392 199 Q HA 0.308 4.648 4.340 0.000 0.000 0.262 199 Q C -2.519 173.372 176.000 -0.183 0.000 1.003 199 Q CA -1.466 54.310 55.803 -0.045 0.000 0.888 199 Q CB -0.123 28.584 28.738 -0.052 0.000 1.260 199 Q HN 0.521 nan 8.270 nan 0.000 0.435 200 P HA 0.130 nan 4.420 nan 0.000 0.274 200 P C -0.703 176.497 177.300 -0.167 0.000 1.237 200 P CA -0.261 62.631 63.100 -0.347 0.000 0.793 200 P CB 0.756 32.065 31.700 -0.651 0.000 0.977 201 T N 1.920 116.454 114.554 -0.034 0.000 2.823 201 T HA 0.583 4.933 4.350 0.000 0.000 0.279 201 T C -0.253 174.524 174.700 0.128 0.000 0.998 201 T CA -0.405 61.709 62.100 0.023 0.000 0.994 201 T CB 0.425 69.311 68.868 0.030 0.000 0.960 201 T HN 0.421 nan 8.240 nan 0.000 0.448 202 M N 2.729 122.375 119.600 0.076 0.000 2.518 202 M HA 0.722 5.202 4.480 0.000 0.000 0.300 202 M C -1.275 174.971 176.300 -0.091 0.000 1.175 202 M CA -0.450 54.870 55.300 0.033 0.000 0.890 202 M CB 2.028 34.673 32.600 0.076 0.000 1.710 202 M HN 0.580 nan 8.290 nan 0.000 0.453 203 S N 2.259 117.860 115.700 -0.165 0.000 2.540 203 S HA 0.791 5.261 4.470 0.000 0.000 0.275 203 S C -1.851 172.666 174.600 -0.138 0.000 1.123 203 S CA -0.568 57.571 58.200 -0.101 0.000 0.907 203 S CB 2.043 65.323 63.200 0.133 0.000 1.081 203 S HN 0.573 nan 8.310 nan 0.000 0.476 204 V N 3.971 123.748 119.914 -0.228 0.000 2.444 204 V HA 0.582 4.702 4.120 0.000 0.000 0.294 204 V C -1.395 174.570 176.094 -0.215 0.000 1.022 204 V CA -0.483 61.730 62.300 -0.145 0.000 0.850 204 V CB 1.328 33.062 31.823 -0.148 0.000 0.992 204 V HN 0.889 nan 8.190 nan 0.000 0.426 205 W N 3.437 124.739 121.300 0.003 0.000 2.656 205 W HA 0.762 5.422 4.660 0.000 0.000 0.327 205 W C -0.664 175.887 176.519 0.054 0.000 1.041 205 W CA -0.705 56.668 57.345 0.047 0.000 1.229 205 W CB 1.974 31.466 29.460 0.053 0.000 1.397 205 W HN 0.283 nan 8.180 nan 0.000 0.479 206 V N 3.219 123.289 119.914 0.260 0.000 2.540 206 V HA 0.295 4.415 4.120 0.000 0.000 0.302 206 V C -0.671 175.486 176.094 0.106 0.000 1.035 206 V CA -0.932 61.426 62.300 0.096 0.000 0.873 206 V CB 1.750 33.514 31.823 -0.099 0.000 0.992 206 V HN 0.323 nan 8.190 nan 0.000 0.428 207 D N 3.277 123.687 120.400 0.017 0.000 2.277 207 D HA 0.456 5.096 4.640 0.000 0.000 0.249 207 D C -0.811 175.431 176.300 -0.097 0.000 1.134 207 D CA 0.310 54.353 54.000 0.071 0.000 0.863 207 D CB 0.817 41.655 40.800 0.062 0.000 1.143 207 D HN 0.382 nan 8.370 nan 0.000 0.458 208 Y N 1.127 121.416 120.300 -0.018 0.000 2.487 208 Y HA 0.524 5.074 4.550 0.000 0.000 0.337 208 Y C 0.084 175.874 175.900 -0.184 0.000 1.076 208 Y CA -1.069 56.916 58.100 -0.191 0.000 1.115 208 Y CB 1.070 39.301 38.460 -0.382 0.000 1.235 208 Y HN 0.150 nan 8.280 nan 0.000 0.468 209 I N 2.540 123.030 120.570 -0.134 0.000 2.404 209 I HA 0.321 4.491 4.170 0.000 0.000 0.293 209 I C -1.190 174.814 176.117 -0.188 0.000 0.992 209 I CA -0.607 60.669 61.300 -0.040 0.000 1.149 209 I CB 0.738 38.667 38.000 -0.118 0.000 1.315 209 I HN 0.288 nan 8.210 nan 0.000 0.446 210 F N 6.141 126.174 119.950 0.138 0.000 2.388 210 F HA 0.533 5.060 4.527 0.000 0.000 0.358 210 F C -0.020 175.852 175.800 0.121 0.000 1.122 210 F CA -0.530 57.526 58.000 0.094 0.000 1.056 210 F CB 0.788 39.835 39.000 0.079 0.000 1.155 210 F HN 0.126 nan 8.300 nan 0.000 0.461 211 L N 2.116 123.451 121.223 0.186 0.000 2.379 211 L HA 0.391 4.731 4.340 0.000 0.000 0.269 211 L C -0.031 176.942 176.870 0.172 0.000 1.084 211 L CA -0.824 54.119 54.840 0.171 0.000 0.802 211 L CB 1.021 43.125 42.059 0.075 0.000 1.175 211 L HN 0.469 nan 8.230 nan 0.000 0.448 212 D N -0.137 120.363 120.400 0.166 0.000 2.339 212 D HA 0.077 4.717 4.640 0.000 0.000 0.245 212 D C 1.055 177.423 176.300 0.114 0.000 1.115 212 D CA -0.056 54.020 54.000 0.125 0.000 0.917 212 D CB 1.483 42.348 40.800 0.109 0.000 1.192 212 D HN 0.518 nan 8.370 nan 0.000 0.428 213 T N 1.147 115.754 114.554 0.089 0.000 2.620 213 T HA -0.315 4.035 4.350 0.000 0.000 0.267 213 T C 1.538 176.292 174.700 0.090 0.000 1.044 213 T CA 2.099 64.248 62.100 0.082 0.000 1.161 213 T CB -0.402 68.501 68.868 0.059 0.000 0.862 213 T HN 0.478 nan 8.240 nan 0.000 0.438 214 Q N 1.025 120.875 119.800 0.084 0.000 1.954 214 Q HA -0.220 4.120 4.340 0.000 0.000 0.215 214 Q C 2.138 178.206 176.000 0.113 0.000 1.026 214 Q CA 2.646 58.499 55.803 0.083 0.000 0.881 214 Q CB -0.486 28.297 28.738 0.076 0.000 0.977 214 Q HN 0.699 nan 8.270 nan 0.000 0.416 215 E N -0.907 119.383 120.200 0.150 0.000 2.204 215 E HA -0.191 4.159 4.350 0.000 0.000 0.194 215 E C 2.099 178.887 176.600 0.313 0.000 0.989 215 E CA 0.612 57.148 56.400 0.227 0.000 0.824 215 E CB -0.067 29.793 29.700 0.268 0.000 0.756 215 E HN 0.277 nan 8.360 nan 0.000 0.477 216 R N -0.309 120.322 120.500 0.219 0.000 2.073 216 R HA -0.101 4.239 4.340 0.000 0.000 0.234 216 R C 2.249 178.670 176.300 0.202 0.000 1.134 216 R CA 1.952 58.167 56.100 0.192 0.000 0.952 216 R CB -0.265 30.105 30.300 0.116 0.000 0.850 216 R HN 0.165 nan 8.270 nan 0.000 0.433 217 T N 0.292 114.935 114.554 0.148 0.000 2.684 217 T HA -0.207 4.143 4.350 0.000 0.000 0.267 217 T C 1.720 176.496 174.700 0.127 0.000 1.036 217 T CA 1.641 63.809 62.100 0.114 0.000 1.148 217 T CB -0.242 68.673 68.868 0.079 0.000 0.863 217 T HN 0.329 nan 8.240 nan 0.000 0.436 218 R N -0.235 120.344 120.500 0.131 0.000 2.105 218 R HA -0.075 4.265 4.340 0.000 0.000 0.239 218 R C 2.095 178.471 176.300 0.127 0.000 1.135 218 R CA 1.455 57.605 56.100 0.084 0.000 0.967 218 R CB -0.466 29.863 30.300 0.048 0.000 0.861 218 R HN 0.373 nan 8.270 nan 0.000 0.442 219 F N 0.147 120.190 119.950 0.155 0.000 2.259 219 F HA 0.020 4.547 4.527 0.000 0.000 0.298 219 F C 2.232 178.204 175.800 0.287 0.000 1.088 219 F CA 1.229 59.372 58.000 0.238 0.000 1.358 219 F CB 0.085 39.130 39.000 0.074 0.000 1.040 219 F HN 0.169 nan 8.300 nan 0.000 0.505 220 A N -1.368 121.642 122.820 0.316 0.000 2.275 220 A HA 0.071 4.391 4.320 0.000 0.000 0.212 220 A C 1.667 179.317 177.584 0.111 0.000 1.201 220 A CA 0.357 52.509 52.037 0.191 0.000 0.843 220 A CB -0.058 19.013 19.000 0.117 0.000 0.873 220 A HN 0.245 nan 8.150 nan 0.000 0.492 221 Q N -0.704 119.144 119.800 0.081 0.000 2.477 221 Q HA 0.343 4.683 4.340 0.000 0.000 0.252 221 Q C 0.382 176.346 176.000 -0.061 0.000 0.869 221 Q CA 0.353 56.165 55.803 0.014 0.000 0.969 221 Q CB -0.105 28.642 28.738 0.015 0.000 1.144 221 Q HN 0.552 nan 8.270 nan 0.000 0.577 222 L N 2.972 124.112 121.223 -0.138 0.000 2.399 222 L HA 0.361 4.701 4.340 0.000 0.000 0.266 222 L C -2.145 174.387 176.870 -0.563 0.000 1.114 222 L CA -1.880 52.783 54.840 -0.295 0.000 0.804 222 L CB 0.215 42.092 42.059 -0.304 0.000 1.146 222 L HN -0.151 nan 8.230 nan 0.000 0.451 223 P HA 0.231 nan 4.420 nan 0.000 0.274 223 P C -1.103 175.860 177.300 -0.561 0.000 1.231 223 P CA -0.093 62.790 63.100 -0.362 0.000 0.790 223 P CB 0.635 32.229 31.700 -0.177 0.000 0.951 224 H N 0.368 119.413 119.070 -0.042 0.000 2.865 224 H HA 0.478 5.034 4.556 0.000 0.000 0.372 224 H C -0.529 174.737 175.328 -0.103 0.000 1.173 224 H CA -0.438 55.540 56.048 -0.116 0.000 1.147 224 H CB 2.145 31.879 29.762 -0.048 0.000 1.805 224 H HN 0.449 nan 8.280 nan 0.000 0.553 225 E N 1.392 121.523 120.200 -0.115 0.000 2.275 225 E HA 0.300 4.650 4.350 0.000 0.000 0.270 225 E C -1.380 175.060 176.600 -0.266 0.000 0.882 225 E CA -0.553 55.796 56.400 -0.085 0.000 0.758 225 E CB 2.439 32.103 29.700 -0.061 0.000 1.195 225 E HN 0.384 nan 8.360 nan 0.000 0.419 226 Y N 1.560 121.870 120.300 0.017 0.000 2.350 226 Y HA 0.248 4.798 4.550 0.000 0.000 0.338 226 Y C -0.250 175.629 175.900 -0.034 0.000 0.961 226 Y CA -0.894 57.206 58.100 -0.000 0.000 1.100 226 Y CB 1.444 39.895 38.460 -0.014 0.000 1.179 226 Y HN 0.310 nan 8.280 nan 0.000 0.454 227 L N 7.081 128.376 121.223 0.120 0.000 2.312 227 L HA 0.346 4.686 4.340 0.000 0.000 0.287 227 L C -0.670 176.282 176.870 0.137 0.000 1.091 227 L CA -0.252 54.637 54.840 0.082 0.000 0.846 227 L CB -0.516 41.544 42.059 0.002 0.000 1.219 227 L HN 0.635 nan 8.230 nan 0.000 0.439 228 I N 2.487 123.089 120.570 0.054 0.000 3.100 228 I HA 0.588 4.758 4.170 0.000 0.000 0.312 228 I C -0.480 175.682 176.117 0.076 0.000 1.063 228 I CA -0.791 60.493 61.300 -0.026 0.000 1.031 228 I CB 1.789 39.387 38.000 -0.670 0.000 1.243 228 I HN 0.499 nan 8.210 nan 0.000 0.483 229 E N 1.283 121.514 120.200 0.052 0.000 2.221 229 E HA 0.594 4.944 4.350 0.000 0.000 0.268 229 E C -1.080 175.528 176.600 0.014 0.000 0.933 229 E CA -0.698 55.667 56.400 -0.058 0.000 0.809 229 E CB 2.232 31.847 29.700 -0.141 0.000 1.190 229 E HN 0.546 nan 8.360 nan 0.000 0.406 230 Q N 0.849 120.617 119.800 -0.054 0.000 2.484 230 Q HA 0.487 4.827 4.340 0.000 0.000 0.285 230 Q C -1.391 174.569 176.000 -0.066 0.000 1.097 230 Q CA -0.968 54.845 55.803 0.017 0.000 0.802 230 Q CB 2.361 31.098 28.738 -0.002 0.000 1.444 230 Q HN 0.248 nan 8.270 nan 0.000 0.429 231 L N 1.312 122.530 121.223 -0.009 0.000 2.334 231 L HA 0.513 4.853 4.340 0.000 0.000 0.276 231 L C -1.372 175.480 176.870 -0.030 0.000 1.014 231 L CA -0.230 54.496 54.840 -0.190 0.000 0.815 231 L CB 1.732 43.567 42.059 -0.374 0.000 1.268 231 L HN 0.775 nan 8.230 nan 0.000 0.428 232 Q N 4.078 123.828 119.800 -0.084 0.000 2.356 232 Q HA 0.494 4.834 4.340 0.000 0.000 0.270 232 Q C -1.783 174.327 176.000 0.183 0.000 1.058 232 Q CA -0.510 55.327 55.803 0.057 0.000 0.802 232 Q CB 3.162 31.859 28.738 -0.068 0.000 1.303 232 Q HN 0.520 nan 8.270 nan 0.000 0.444 233 F N 0.538 120.541 119.950 0.088 0.000 2.588 233 F HA 0.651 5.178 4.527 0.000 0.000 0.310 233 F C -1.421 174.336 175.800 -0.073 0.000 1.082 233 F CA -0.407 57.536 58.000 -0.095 0.000 0.929 233 F CB 2.349 41.191 39.000 -0.263 0.000 1.254 233 F HN 0.356 nan 8.300 nan 0.000 0.455 234 T N 3.699 117.518 114.554 -1.224 0.000 3.143 234 T HA 0.542 4.892 4.350 0.000 0.000 0.312 234 T C -0.417 173.594 174.700 -1.148 0.000 0.986 234 T CA -0.590 60.832 62.100 -1.130 0.000 1.024 234 T CB 1.205 69.740 68.868 -0.556 0.000 1.030 234 T HN 0.969 nan 8.240 nan 0.000 0.448 235 G N 1.969 110.102 108.800 -1.112 0.000 2.353 235 G HA2 0.580 4.540 3.960 0.000 0.000 0.284 235 G HA3 0.580 4.540 3.960 0.000 0.000 0.284 235 G C -0.481 174.306 174.900 -0.189 0.000 1.172 235 G CA -0.338 44.555 45.100 -0.345 0.000 0.854 235 G HN 0.655 nan 8.290 nan 0.000 0.485 236 S N 0.804 116.454 115.700 -0.083 0.000 2.632 236 S HA 0.454 4.924 4.470 0.000 0.000 0.289 236 S C -0.674 173.936 174.600 0.017 0.000 1.115 236 S CA -0.858 57.309 58.200 -0.055 0.000 0.889 236 S CB 2.172 65.325 63.200 -0.079 0.000 1.116 236 S HN 0.680 nan 8.310 nan 0.000 0.486 237 E N 1.435 121.648 120.200 0.022 0.000 2.197 237 E HA 0.405 4.755 4.350 0.000 0.000 0.281 237 E C -0.484 176.161 176.600 0.075 0.000 0.995 237 E CA -0.473 55.957 56.400 0.050 0.000 0.808 237 E CB 1.035 30.751 29.700 0.027 0.000 1.093 237 E HN 0.455 nan 8.360 nan 0.000 0.394 238 T N 1.207 115.823 114.554 0.104 0.000 2.849 238 T HA 0.406 4.756 4.350 0.000 0.000 0.284 238 T C 0.445 175.120 174.700 -0.041 0.000 1.004 238 T CA -0.682 61.481 62.100 0.104 0.000 1.021 238 T CB 1.315 70.267 68.868 0.140 0.000 1.013 238 T HN 0.574 nan 8.240 nan 0.000 0.527 239 A N 0.855 123.562 122.820 -0.188 0.000 2.710 239 A HA 0.747 5.067 4.320 0.000 0.000 0.253 239 A C 1.298 178.682 177.584 -0.335 0.000 1.658 239 A CA 0.357 52.268 52.037 -0.209 0.000 0.851 239 A CB -0.191 18.723 19.000 -0.143 0.000 1.658 239 A HN 1.009 nan 8.150 nan 0.000 0.585 240 T N -5.101 109.288 114.554 -0.276 0.000 3.769 240 T HA 0.309 4.659 4.350 0.000 0.000 0.271 240 T C -2.203 172.410 174.700 -0.145 0.000 0.931 240 T CA 0.257 62.222 62.100 -0.224 0.000 1.159 240 T CB -1.719 67.077 68.868 -0.120 0.000 1.083 240 T HN 0.530 nan 8.240 nan 0.000 0.418 241 P HA -0.061 nan 4.420 nan 0.000 0.281 241 P C -0.142 177.145 177.300 -0.021 0.000 1.391 241 P CA 1.245 64.324 63.100 -0.035 0.000 1.004 241 P CB 0.149 31.840 31.700 -0.015 0.000 0.692 242 S N 0.178 115.873 115.700 -0.008 0.000 2.998 242 S HA 0.808 5.278 4.470 0.000 0.000 0.321 242 S C 0.563 175.166 174.600 0.004 0.000 1.171 242 S CA 0.597 58.797 58.200 -0.000 0.000 0.882 242 S CB 1.051 64.249 63.200 -0.004 0.000 1.301 242 S HN 0.878 nan 8.310 nan 0.000 0.629 243 A N 1.166 123.989 122.820 0.005 0.000 5.123 243 A HA -0.272 4.048 4.320 0.000 0.000 0.337 243 A C 1.385 178.974 177.584 0.009 0.000 1.775 243 A CA 2.979 55.020 52.037 0.006 0.000 0.704 243 A CB -3.068 15.934 19.000 0.004 0.000 1.426 243 A HN 2.395 nan 8.150 nan 0.000 0.391 244 T N -1.053 113.506 114.554 0.008 0.000 3.535 244 T HA 0.449 4.799 4.350 0.000 0.000 0.238 244 T C 0.827 175.536 174.700 0.015 0.000 0.909 244 T CA 0.990 63.096 62.100 0.011 0.000 0.928 244 T CB -1.021 67.852 68.868 0.009 0.000 1.134 244 T HN 0.881 nan 8.240 nan 0.000 0.627 245 T N 1.991 116.556 114.554 0.018 0.000 6.163 245 T HA -0.094 4.256 4.350 0.000 0.000 0.428 245 T C 0.613 175.337 174.700 0.040 0.000 0.855 245 T CA -0.054 62.063 62.100 0.028 0.000 0.850 245 T CB -0.260 68.628 68.868 0.033 0.000 0.964 245 T HN 0.454 nan 8.240 nan 0.000 0.310 246 Q N -0.528 119.306 119.800 0.056 0.000 2.463 246 Q HA -0.147 4.193 4.340 0.000 0.000 0.299 246 Q C -0.094 175.952 176.000 0.077 0.000 1.353 246 Q CA 0.588 56.427 55.803 0.060 0.000 0.828 246 Q CB -2.183 26.576 28.738 0.036 0.000 1.157 246 Q HN 0.816 nan 8.270 nan 0.000 0.436 247 A N -0.256 122.635 122.820 0.119 0.000 2.466 247 A HA 0.661 4.981 4.320 0.000 0.000 0.238 247 A C 0.619 178.326 177.584 0.204 0.000 1.074 247 A CA 0.662 52.783 52.037 0.141 0.000 0.774 247 A CB 0.566 19.642 19.000 0.125 0.000 1.015 247 A HN 0.684 nan 8.150 nan 0.000 0.498 248 A N 0.246 123.158 122.820 0.153 0.000 2.437 248 A HA 0.865 5.185 4.320 0.000 0.000 0.292 248 A C -0.419 177.251 177.584 0.145 0.000 1.173 248 A CA -0.281 51.821 52.037 0.108 0.000 0.785 248 A CB 1.535 20.557 19.000 0.036 0.000 1.351 248 A HN 1.349 nan 8.150 nan 0.000 0.431 249 Q N 0.198 120.045 119.800 0.078 0.000 2.766 249 Q HA 0.212 4.552 4.340 0.000 0.000 0.240 249 Q C -2.367 173.634 176.000 0.001 0.000 0.993 249 Q CA -0.585 55.266 55.803 0.080 0.000 1.006 249 Q CB 0.996 29.861 28.738 0.212 0.000 1.804 249 Q HN 0.786 nan 8.270 nan 0.000 0.464 250 N N 3.571 122.258 118.700 -0.021 0.000 2.342 250 N HA 0.538 5.278 4.740 0.000 0.000 0.293 250 N C -1.307 174.159 175.510 -0.073 0.000 1.026 250 N CA -0.354 52.658 53.050 -0.064 0.000 0.857 250 N CB 1.483 39.931 38.487 -0.066 0.000 1.256 250 N HN 0.463 nan 8.380 nan 0.000 0.484 251 I N 1.661 122.165 120.570 -0.110 0.000 2.378 251 I HA 0.249 4.419 4.170 0.000 0.000 0.291 251 I C 0.480 176.508 176.117 -0.148 0.000 0.992 251 I CA -0.658 60.566 61.300 -0.128 0.000 1.154 251 I CB 1.176 39.082 38.000 -0.156 0.000 1.315 251 I HN 0.207 nan 8.210 nan 0.000 0.448 252 R N 6.245 126.660 120.500 -0.142 0.000 2.370 252 R HA 0.375 4.715 4.340 0.000 0.000 0.309 252 R C -1.172 174.999 176.300 -0.216 0.000 1.059 252 R CA 0.118 56.130 56.100 -0.145 0.000 0.981 252 R CB 0.028 30.254 30.300 -0.124 0.000 0.972 252 R HN 0.595 nan 8.270 nan 0.000 0.437 253 L N 4.795 125.890 121.223 -0.213 0.000 2.261 253 L HA 0.299 4.639 4.340 0.000 0.000 0.289 253 L C 0.359 176.992 176.870 -0.395 0.000 1.059 253 L CA -0.348 54.258 54.840 -0.391 0.000 0.816 253 L CB 0.843 42.789 42.059 -0.187 0.000 1.191 253 L HN 0.588 nan 8.230 nan 0.000 0.431 254 N N 5.151 123.505 118.700 -0.577 0.000 2.801 254 N HA 0.337 5.077 4.740 0.000 0.000 0.235 254 N C -1.143 174.141 175.510 -0.377 0.000 1.069 254 N CA -0.033 52.809 53.050 -0.346 0.000 0.946 254 N CB 0.199 38.540 38.487 -0.244 0.000 1.212 254 N HN 0.317 nan 8.380 nan 0.000 0.509 255 F N 0.591 120.525 119.950 -0.027 0.000 2.618 255 F HA 0.502 5.029 4.527 0.000 0.000 0.332 255 F C 0.606 176.392 175.800 -0.023 0.000 1.061 255 F CA -1.104 56.816 58.000 -0.133 0.000 0.974 255 F CB 1.819 40.519 39.000 -0.500 0.000 1.310 255 F HN 0.142 nan 8.300 nan 0.000 0.491 256 N N -0.763 118.016 118.700 0.132 0.000 2.697 256 N HA 0.417 5.157 4.740 0.000 0.000 0.272 256 N C -1.398 174.073 175.510 -0.066 0.000 1.381 256 N CA -0.659 52.347 53.050 -0.073 0.000 0.797 256 N CB 1.534 39.777 38.487 -0.406 0.000 1.523 256 N HN 0.636 nan 8.380 nan 0.000 0.518 257 H N -2.446 116.687 119.070 0.106 0.000 4.716 257 H HA -0.100 4.456 4.556 0.000 0.000 0.254 257 H C -2.750 172.625 175.328 0.078 0.000 0.526 257 H CA -0.022 56.053 56.048 0.046 0.000 0.674 257 H CB -1.848 27.930 29.762 0.025 0.000 0.898 257 H HN 0.388 nan 8.280 nan 0.000 0.304 258 P HA 0.090 nan 4.420 nan 0.000 0.264 258 P C -0.324 177.077 177.300 0.168 0.000 1.229 258 P CA 0.639 63.832 63.100 0.155 0.000 0.780 258 P CB 0.407 32.195 31.700 0.146 0.000 0.808 259 T N 3.994 118.638 114.554 0.148 0.000 2.794 259 T HA 0.199 4.549 4.350 0.000 0.000 0.280 259 T C 1.250 176.065 174.700 0.193 0.000 0.987 259 T CA -0.651 61.493 62.100 0.073 0.000 0.993 259 T CB 1.460 70.315 68.868 -0.022 0.000 0.939 259 T HN 0.259 nan 8.240 nan 0.000 0.449 260 K N 1.741 122.196 120.400 0.092 0.000 2.076 260 K HA 0.084 4.404 4.320 0.000 0.000 0.204 260 K C 0.088 176.980 176.600 0.488 0.000 1.051 260 K CA 1.039 57.475 56.287 0.248 0.000 0.949 260 K CB 0.074 32.621 32.500 0.078 0.000 0.726 260 K HN 0.767 nan 8.250 nan 0.000 0.443 261 Y N -2.186 118.332 120.300 0.364 0.000 2.779 261 Y HA 0.504 5.054 4.550 0.000 0.000 0.340 261 Y C -1.782 174.304 175.900 0.311 0.000 1.252 261 Y CA -1.720 56.578 58.100 0.329 0.000 1.072 261 Y CB 0.887 39.480 38.460 0.221 0.000 1.343 261 Y HN -0.297 nan 8.280 nan 0.000 0.450 262 L N 2.026 123.639 121.223 0.651 0.000 2.365 262 L HA 0.976 5.316 4.340 0.000 0.000 0.273 262 L C -0.683 176.650 176.870 0.772 0.000 1.000 262 L CA -1.249 53.955 54.840 0.607 0.000 0.819 262 L CB 2.085 44.516 42.059 0.620 0.000 1.284 262 L HN 0.980 nan 8.230 nan 0.000 0.418 263 A N 2.716 125.986 122.820 0.750 0.000 2.422 263 A HA 0.836 5.156 4.320 0.000 0.000 0.302 263 A C -1.852 176.166 177.584 0.722 0.000 1.041 263 A CA -0.398 51.992 52.037 0.589 0.000 0.708 263 A CB 1.313 20.645 19.000 0.553 0.000 1.257 263 A HN 0.792 nan 8.150 nan 0.000 0.414 264 W N 2.167 123.632 121.300 0.276 0.000 3.137 264 W HA 0.735 5.395 4.660 0.000 0.000 0.324 264 W C -1.037 175.534 176.519 0.088 0.000 1.253 264 W CA -0.479 56.973 57.345 0.179 0.000 1.183 264 W CB 0.992 30.473 29.460 0.035 0.000 1.424 264 W HN 0.918 nan 8.180 nan 0.000 0.566 265 N N 0.157 118.924 118.700 0.112 0.000 2.610 265 N HA 0.610 5.350 4.740 0.000 0.000 0.264 265 N C -2.151 173.333 175.510 -0.044 0.000 1.348 265 N CA -0.898 52.125 53.050 -0.045 0.000 0.819 265 N CB 2.295 40.504 38.487 -0.464 0.000 1.521 265 N HN 0.381 nan 8.380 nan 0.000 0.497 266 F N 1.015 121.140 119.950 0.292 0.000 2.445 266 F HA 0.402 4.929 4.527 0.000 0.000 0.348 266 F C 0.128 176.123 175.800 0.325 0.000 1.125 266 F CA -0.793 57.392 58.000 0.307 0.000 0.983 266 F CB 1.246 40.434 39.000 0.312 0.000 1.198 266 F HN 0.490 nan 8.300 nan 0.000 0.436 267 N N 2.254 121.223 118.700 0.449 0.000 2.265 267 N HA 0.216 4.956 4.740 0.000 0.000 0.300 267 N C -1.523 174.121 175.510 0.224 0.000 1.148 267 N CA -0.753 52.516 53.050 0.365 0.000 0.772 267 N CB 2.014 40.724 38.487 0.371 0.000 1.434 267 N HN 0.698 nan 8.380 nan 0.000 0.481 268 N N 1.514 120.302 118.700 0.147 0.000 2.415 268 N HA 0.163 4.903 4.740 0.000 0.000 0.246 268 N C -1.720 173.847 175.510 0.095 0.000 1.078 268 N CA -1.699 51.413 53.050 0.104 0.000 0.942 268 N CB 0.926 39.454 38.487 0.069 0.000 1.140 268 N HN 0.322 nan 8.380 nan 0.000 0.501 269 P HA -0.168 nan 4.420 nan 0.000 0.218 269 P C 0.962 178.319 177.300 0.094 0.000 1.146 269 P CA 1.303 64.466 63.100 0.105 0.000 0.820 269 P CB 0.236 31.994 31.700 0.098 0.000 0.778 270 T N -1.080 113.521 114.554 0.078 0.000 2.684 270 T HA -0.087 4.263 4.350 0.000 0.000 0.267 270 T C 0.817 175.580 174.700 0.104 0.000 1.036 270 T CA 1.250 63.394 62.100 0.073 0.000 1.148 270 T CB -0.617 68.288 68.868 0.062 0.000 0.863 270 T HN 0.142 nan 8.240 nan 0.000 0.436 271 N N 0.757 119.523 118.700 0.111 0.000 2.444 271 N HA 0.227 4.967 4.740 0.000 0.000 0.262 271 N C 0.151 175.753 175.510 0.153 0.000 0.974 271 N CA -0.455 52.689 53.050 0.156 0.000 0.933 271 N CB 1.263 39.817 38.487 0.112 0.000 1.137 271 N HN 0.083 nan 8.380 nan 0.000 0.498 272 Y N 3.290 123.652 120.300 0.102 0.000 1.876 272 Y HA -0.335 4.215 4.550 0.000 0.000 0.218 272 Y C 1.787 177.707 175.900 0.033 0.000 1.157 272 Y CA 2.589 60.751 58.100 0.104 0.000 1.004 272 Y CB -0.646 37.919 38.460 0.176 0.000 0.825 272 Y HN 0.593 nan 8.280 nan 0.000 0.532 273 G N 0.056 108.687 108.800 -0.283 0.000 3.523 273 G HA2 0.071 4.031 3.960 0.000 0.000 0.270 273 G HA3 0.071 4.031 3.960 0.000 0.000 0.270 273 G C -0.085 174.384 174.900 -0.719 0.000 1.134 273 G CA -0.160 44.537 45.100 -0.673 0.000 0.825 273 G HN 0.450 nan 8.290 nan 0.000 0.534 274 Q N 0.530 120.100 119.800 -0.382 0.000 2.300 274 Q HA 0.141 4.481 4.340 0.000 0.000 0.262 274 Q C -0.267 175.653 176.000 -0.133 0.000 1.109 274 Q CA -0.067 55.597 55.803 -0.231 0.000 0.905 274 Q CB 0.220 28.906 28.738 -0.087 0.000 1.280 274 Q HN 0.653 nan 8.270 nan 0.000 0.426 275 Y N 1.741 122.055 120.300 0.023 0.000 2.467 275 Y HA 0.171 4.721 4.550 0.000 0.000 0.250 275 Y C 0.848 176.797 175.900 0.083 0.000 1.155 275 Y CA -0.475 57.668 58.100 0.072 0.000 1.249 275 Y CB 1.614 40.090 38.460 0.026 0.000 1.146 275 Y HN 0.432 nan 8.280 nan 0.000 0.524 276 T N 0.033 114.684 114.554 0.163 0.000 2.901 276 T HA 0.731 5.081 4.350 0.000 0.000 0.293 276 T C -0.838 173.894 174.700 0.052 0.000 1.084 276 T CA -0.646 61.515 62.100 0.102 0.000 1.008 276 T CB 1.193 70.093 68.868 0.054 0.000 1.170 276 T HN 0.104 nan 8.240 nan 0.000 0.509 277 A N 2.644 125.488 122.820 0.040 0.000 2.425 277 A HA 0.622 4.941 4.320 0.000 0.000 0.249 277 A C 0.019 177.597 177.584 -0.009 0.000 1.084 277 A CA -0.334 51.712 52.037 0.016 0.000 0.781 277 A CB -0.216 18.794 19.000 0.016 0.000 1.019 277 A HN 0.812 nan 8.150 nan 0.000 0.490 278 L N 1.297 122.506 121.223 -0.023 0.000 2.397 278 L HA 0.540 4.880 4.340 0.000 0.000 0.271 278 L C 0.624 177.474 176.870 -0.033 0.000 1.148 278 L CA 0.028 54.841 54.840 -0.045 0.000 0.825 278 L CB 0.960 42.981 42.059 -0.062 0.000 1.117 278 L HN 0.867 nan 8.230 nan 0.000 0.456 279 A N 2.198 124.996 122.820 -0.036 0.000 2.602 279 A HA 0.418 4.738 4.320 0.000 0.000 0.290 279 A C -0.735 176.833 177.584 -0.027 0.000 1.114 279 A CA -0.686 51.336 52.037 -0.025 0.000 0.683 279 A CB 1.267 20.258 19.000 -0.014 0.000 1.281 279 A HN 0.600 nan 8.150 nan 0.000 0.416 280 N N 0.582 119.271 118.700 -0.019 0.000 3.254 280 N HA 0.371 5.111 4.740 0.000 0.000 0.308 280 N C -0.992 174.510 175.510 -0.013 0.000 1.281 280 N CA 0.362 53.401 53.050 -0.018 0.000 1.212 280 N CB -0.807 37.672 38.487 -0.014 0.000 1.478 280 N HN 0.488 nan 8.380 nan 0.000 0.548 281 I N 0.681 121.242 120.570 -0.015 0.000 2.647 281 I HA 0.363 4.533 4.170 0.000 0.000 0.295 281 I C -2.196 173.914 176.117 -0.011 0.000 1.078 281 I CA -2.652 58.642 61.300 -0.009 0.000 1.048 281 I CB 2.545 40.543 38.000 -0.004 0.000 1.239 281 I HN 0.053 nan 8.210 nan 0.000 0.421 282 P HA -0.041 nan 4.420 nan 0.000 0.257 282 P C 0.695 177.992 177.300 -0.006 0.000 1.162 282 P CA 1.141 64.239 63.100 -0.003 0.000 0.762 282 P CB 0.229 31.932 31.700 0.005 0.000 0.753 283 G N 3.132 111.923 108.800 -0.014 0.000 2.189 283 G HA2 -0.307 3.653 3.960 0.000 0.000 0.267 283 G HA3 -0.307 3.653 3.960 0.000 0.000 0.267 283 G C 0.893 175.763 174.900 -0.050 0.000 0.975 283 G CA 0.336 45.422 45.100 -0.023 0.000 0.644 283 G HN 0.718 nan 8.290 nan 0.000 0.537 284 A N -1.227 121.563 122.820 -0.050 0.000 2.252 284 A HA 0.625 4.945 4.320 0.000 0.000 0.213 284 A C 1.333 178.864 177.584 -0.088 0.000 1.188 284 A CA 1.839 53.838 52.037 -0.064 0.000 0.863 284 A CB -0.120 18.857 19.000 -0.040 0.000 0.893 284 A HN 2.172 nan 8.150 nan 0.000 0.495 285 C N -3.243 116.003 119.300 -0.091 0.000 3.312 285 C HA 0.687 5.147 4.460 0.000 0.000 0.332 285 C C 0.185 175.109 174.990 -0.111 0.000 1.340 285 C CA -0.387 58.564 59.018 -0.113 0.000 1.265 285 C CB 0.625 28.318 27.740 -0.079 0.000 1.563 285 C HN 0.363 nan 8.230 nan 0.000 0.471 286 S N 0.672 116.292 115.700 -0.133 0.000 2.555 286 S HA 0.410 4.880 4.470 0.000 0.000 0.293 286 S C 1.406 175.975 174.600 -0.052 0.000 1.248 286 S CA 1.676 59.816 58.200 -0.100 0.000 1.096 286 S CB -0.874 62.271 63.200 -0.093 0.000 0.881 286 S HN 2.942 nan 8.310 nan 0.000 0.498 287 G N 3.580 112.359 108.800 -0.035 0.000 2.249 287 G HA2 -0.141 3.819 3.960 0.000 0.000 0.273 287 G HA3 -0.141 3.819 3.960 0.000 0.000 0.273 287 G C 0.361 175.249 174.900 -0.021 0.000 1.036 287 G CA 0.159 45.247 45.100 -0.020 0.000 0.824 287 G HN 1.471 nan 8.290 nan 0.000 0.504 288 A N -0.739 122.065 122.820 -0.027 0.000 2.547 288 A HA 0.628 4.948 4.320 0.000 0.000 0.233 288 A C 2.145 179.721 177.584 -0.013 0.000 1.067 288 A CA 1.580 53.603 52.037 -0.022 0.000 0.763 288 A CB -0.135 18.849 19.000 -0.026 0.000 1.007 288 A HN 2.405 nan 8.150 nan 0.000 0.506 289 G N 0.301 109.095 108.800 -0.011 0.000 2.187 289 G HA2 -0.183 3.777 3.960 0.000 0.000 0.261 289 G HA3 -0.183 3.777 3.960 0.000 0.000 0.261 289 G C 0.455 175.352 174.900 -0.005 0.000 1.000 289 G CA 1.111 46.207 45.100 -0.006 0.000 0.718 289 G HN 1.257 nan 8.290 nan 0.000 0.519 290 T N -1.805 112.745 114.554 -0.007 0.000 2.888 290 T HA 0.701 5.051 4.350 0.000 0.000 0.288 290 T C 1.545 176.242 174.700 -0.005 0.000 1.063 290 T CA 0.479 62.576 62.100 -0.005 0.000 1.010 290 T CB 1.436 70.301 68.868 -0.005 0.000 1.214 290 T HN 0.888 nan 8.240 nan 0.000 0.533 291 A N 0.326 123.143 122.820 -0.004 0.000 2.066 291 A HA 0.318 4.638 4.320 0.000 0.000 0.218 291 A C 2.038 179.619 177.584 -0.004 0.000 1.157 291 A CA 1.563 53.598 52.037 -0.004 0.000 0.670 291 A CB -0.685 18.314 19.000 -0.002 0.000 0.804 291 A HN 0.804 nan 8.150 nan 0.000 0.453 292 A N -0.560 122.257 122.820 -0.005 0.000 2.218 292 A HA 0.605 4.925 4.320 0.000 0.000 0.209 292 A C 1.309 178.887 177.584 -0.009 0.000 1.168 292 A CA 0.576 52.610 52.037 -0.005 0.000 0.804 292 A CB -0.810 18.188 19.000 -0.003 0.000 0.834 292 A HN 1.004 nan 8.150 nan 0.000 0.482 293 A N 0.258 123.071 122.820 -0.012 0.000 2.587 293 A HA 0.429 4.749 4.320 0.000 0.000 0.235 293 A C 0.775 178.347 177.584 -0.019 0.000 1.044 293 A CA 1.083 53.109 52.037 -0.018 0.000 0.754 293 A CB -0.119 18.872 19.000 -0.016 0.000 0.968 293 A HN 0.410 nan 8.150 nan 0.000 0.509 294 T N 0.382 114.919 114.554 -0.028 0.000 2.598 294 T HA 0.614 4.964 4.350 0.000 0.000 0.254 294 T C 0.366 175.045 174.700 -0.035 0.000 0.889 294 T CA 0.173 62.257 62.100 -0.028 0.000 1.091 294 T CB 1.310 70.160 68.868 -0.030 0.000 1.437 294 T HN 0.817 nan 8.240 nan 0.000 0.542 295 V N -0.186 119.706 119.914 -0.037 0.000 4.200 295 V HA 0.079 4.199 4.120 0.000 0.000 0.332 295 V C 1.371 177.442 176.094 -0.038 0.000 1.744 295 V CA 0.206 62.483 62.300 -0.038 0.000 1.469 295 V CB 0.511 32.319 31.823 -0.025 0.000 1.024 295 V HN 0.938 nan 8.190 nan 0.000 0.397 296 T N -0.014 114.519 114.554 -0.035 0.000 3.044 296 T HA 0.104 4.454 4.350 0.000 0.000 0.255 296 T C 0.778 175.453 174.700 -0.041 0.000 1.073 296 T CA 1.103 63.188 62.100 -0.026 0.000 1.125 296 T CB 0.302 69.164 68.868 -0.010 0.000 0.908 296 T HN 0.405 nan 8.240 nan 0.000 0.480 297 T N 3.921 118.430 114.554 -0.074 0.000 2.829 297 T HA 0.463 4.813 4.350 0.000 0.000 0.280 297 T C -2.691 171.851 174.700 -0.264 0.000 0.999 297 T CA -1.460 60.555 62.100 -0.142 0.000 0.983 297 T CB 2.481 71.292 68.868 -0.095 0.000 0.968 297 T HN -0.013 nan 8.240 nan 0.000 0.446 298 P HA 0.254 nan 4.420 nan 0.000 0.278 298 P C -0.787 176.137 177.300 -0.626 0.000 1.258 298 P CA -0.444 62.367 63.100 -0.482 0.000 0.811 298 P CB 0.850 32.279 31.700 -0.450 0.000 1.063 299 D N 0.495 120.675 120.400 -0.366 0.000 2.558 299 D HA 0.044 4.684 4.640 0.000 0.000 0.221 299 D C 0.995 177.173 176.300 -0.203 0.000 1.143 299 D CA -0.522 53.340 54.000 -0.230 0.000 1.010 299 D CB -0.861 39.868 40.800 -0.119 0.000 1.068 299 D HN 0.184 nan 8.370 nan 0.000 0.511 300 Y N 1.659 121.923 120.300 -0.061 0.000 2.024 300 Y HA -0.365 4.185 4.550 0.000 0.000 0.257 300 Y C 2.647 178.508 175.900 -0.066 0.000 1.233 300 Y CA 1.685 59.745 58.100 -0.067 0.000 1.087 300 Y CB -0.824 37.653 38.460 0.027 0.000 0.905 300 Y HN 0.452 nan 8.280 nan 0.000 0.503 301 G N -0.629 108.297 108.800 0.210 0.000 2.499 301 G HA2 -0.244 3.716 3.960 0.000 0.000 0.221 301 G HA3 -0.244 3.716 3.960 0.000 0.000 0.221 301 G C 0.856 175.851 174.900 0.159 0.000 1.109 301 G CA 1.314 46.544 45.100 0.217 0.000 0.749 301 G HN 0.386 nan 8.290 nan 0.000 0.568 302 N N -0.257 118.443 118.700 -0.000 0.000 2.599 302 N HA 0.108 4.848 4.740 0.000 0.000 0.309 302 N C 1.056 176.450 175.510 -0.193 0.000 1.743 302 N CA -0.045 52.986 53.050 -0.032 0.000 0.918 302 N CB 0.742 39.232 38.487 0.005 0.000 1.339 302 N HN -0.028 nan 8.380 nan 0.000 0.493 303 T N -0.688 113.556 114.554 -0.517 0.000 2.759 303 T HA -0.081 4.269 4.350 0.000 0.000 0.269 303 T C 1.259 175.771 174.700 -0.312 0.000 1.042 303 T CA 1.161 62.907 62.100 -0.591 0.000 1.140 303 T CB -0.058 68.100 68.868 -1.182 0.000 0.864 303 T HN 0.369 nan 8.240 nan 0.000 0.455 304 G N 0.518 109.221 108.800 -0.161 0.000 2.572 304 G HA2 0.504 4.464 3.960 0.000 0.000 0.261 304 G HA3 0.504 4.464 3.960 0.000 0.000 0.261 304 G C -0.626 174.193 174.900 -0.135 0.000 1.197 304 G CA -0.325 44.734 45.100 -0.068 0.000 0.870 304 G HN 0.303 nan 8.290 nan 0.000 0.548 305 T N -1.097 113.326 114.554 -0.218 0.000 2.821 305 T HA 0.306 4.656 4.350 0.000 0.000 0.306 305 T C -0.466 174.009 174.700 -0.375 0.000 1.313 305 T CA -0.390 61.581 62.100 -0.215 0.000 1.012 305 T CB 1.500 70.321 68.868 -0.078 0.000 1.298 305 T HN 0.428 nan 8.240 nan 0.000 0.502 306 Y N -0.135 120.170 120.300 0.007 0.000 2.442 306 Y HA 0.313 4.863 4.550 0.000 0.000 0.250 306 Y C 1.429 177.325 175.900 -0.007 0.000 1.113 306 Y CA -0.622 57.473 58.100 -0.009 0.000 1.273 306 Y CB 0.558 39.012 38.460 -0.011 0.000 1.138 306 Y HN 0.445 nan 8.280 nan 0.000 0.522 307 N N 2.223 120.987 118.700 0.107 0.000 2.406 307 N HA -0.098 4.642 4.740 0.000 0.000 0.274 307 N C 1.158 176.701 175.510 0.056 0.000 1.249 307 N CA 0.370 53.464 53.050 0.073 0.000 0.951 307 N CB 0.592 39.110 38.487 0.052 0.000 1.241 307 N HN 0.214 nan 8.380 nan 0.000 0.485 308 E N 2.842 123.080 120.200 0.064 0.000 2.267 308 E HA -0.252 4.098 4.350 0.000 0.000 0.197 308 E C 1.284 177.926 176.600 0.070 0.000 0.998 308 E CA 1.302 57.744 56.400 0.070 0.000 0.830 308 E CB 0.036 29.782 29.700 0.077 0.000 0.751 308 E HN 0.679 nan 8.360 nan 0.000 0.491 309 Q N -0.314 119.519 119.800 0.055 0.000 2.291 309 Q HA -0.004 4.336 4.340 0.000 0.000 0.206 309 Q C 1.307 177.334 176.000 0.045 0.000 0.976 309 Q CA 1.090 56.921 55.803 0.047 0.000 0.875 309 Q CB -0.031 28.729 28.738 0.036 0.000 0.927 309 Q HN 0.438 nan 8.270 nan 0.000 0.450 310 L N -0.323 120.927 121.223 0.044 0.000 2.628 310 L HA 0.423 4.763 4.340 0.000 0.000 0.229 310 L C 0.139 177.044 176.870 0.058 0.000 1.137 310 L CA -0.288 54.576 54.840 0.039 0.000 0.909 310 L CB 0.157 42.231 42.059 0.024 0.000 1.137 310 L HN 0.057 nan 8.230 nan 0.000 0.470 311 A N 0.410 123.279 122.820 0.082 0.000 2.324 311 A HA 0.599 4.919 4.320 0.000 0.000 0.330 311 A C 0.329 177.976 177.584 0.105 0.000 1.165 311 A CA -0.539 51.572 52.037 0.124 0.000 0.813 311 A CB 1.206 20.316 19.000 0.182 0.000 1.197 311 A HN -0.003 nan 8.150 nan 0.000 0.484 312 V N 1.176 121.124 119.914 0.057 0.000 3.923 312 V HA 0.598 4.718 4.120 0.000 0.000 0.264 312 V C 0.755 176.834 176.094 -0.025 0.000 0.897 312 V CA -0.157 62.142 62.300 -0.002 0.000 0.882 312 V CB -0.714 31.050 31.823 -0.098 0.000 1.206 312 V HN 2.060 nan 8.190 nan 0.000 0.396 313 L N 0.163 121.324 121.223 -0.103 0.000 3.040 313 L HA -0.147 4.193 4.340 0.000 0.000 0.594 313 L C 0.373 177.210 176.870 -0.055 0.000 1.002 313 L CA 1.396 56.098 54.840 -0.230 0.000 1.305 313 L CB -1.371 40.506 42.059 -0.303 0.000 1.539 313 L HN 1.110 nan 8.230 nan 0.000 0.746 314 D N 1.025 121.392 120.400 -0.055 0.000 2.201 314 D HA 0.180 4.820 4.640 0.000 0.000 0.209 314 D C 0.782 177.119 176.300 0.061 0.000 0.961 314 D CA 1.319 55.333 54.000 0.024 0.000 0.861 314 D CB 0.432 41.243 40.800 0.018 0.000 0.997 314 D HN 0.817 nan 8.370 nan 0.000 0.486 315 S N -1.606 114.109 115.700 0.025 0.000 2.671 315 S HA 0.861 5.331 4.470 0.000 0.000 0.277 315 S C -1.144 173.499 174.600 0.073 0.000 1.165 315 S CA -0.255 58.012 58.200 0.110 0.000 0.822 315 S CB 1.901 65.148 63.200 0.078 0.000 1.150 315 S HN 0.438 nan 8.310 nan 0.000 0.479 316 A N 0.573 123.510 122.820 0.196 0.000 2.583 316 A HA 0.824 5.144 4.320 0.000 0.000 0.292 316 A C -1.525 176.192 177.584 0.222 0.000 1.045 316 A CA -0.743 51.330 52.037 0.061 0.000 0.672 316 A CB 1.178 20.079 19.000 -0.165 0.000 1.283 316 A HN 1.481 nan 8.150 nan 0.000 0.419 317 K N 0.604 120.987 120.400 -0.027 0.000 2.575 317 K HA 0.814 5.134 4.320 0.000 0.000 0.279 317 K C -1.749 174.573 176.600 -0.463 0.000 0.969 317 K CA -0.776 55.377 56.287 -0.223 0.000 0.868 317 K CB 1.465 33.814 32.500 -0.251 0.000 1.457 317 K HN 0.558 nan 8.250 nan 0.000 0.426 318 I N 0.985 121.039 120.570 -0.861 0.000 2.562 318 I HA 0.316 4.486 4.170 0.000 0.000 0.301 318 I C -0.853 175.010 176.117 -0.423 0.000 1.003 318 I CA -0.892 60.114 61.300 -0.490 0.000 1.127 318 I CB 2.233 40.057 38.000 -0.294 0.000 1.304 318 I HN 0.635 nan 8.210 nan 0.000 0.446 319 Q N 5.296 124.962 119.800 -0.224 0.000 2.304 319 Q HA 0.583 4.923 4.340 0.000 0.000 0.270 319 Q C -1.823 174.111 176.000 -0.110 0.000 1.035 319 Q CA -0.615 55.086 55.803 -0.171 0.000 0.781 319 Q CB 2.165 30.812 28.738 -0.151 0.000 1.261 319 Q HN 0.542 nan 8.270 nan 0.000 0.444 320 L N 3.961 125.124 121.223 -0.100 0.000 2.296 320 L HA 0.455 4.795 4.340 0.000 0.000 0.286 320 L C -0.225 176.594 176.870 -0.084 0.000 1.023 320 L CA -0.914 53.867 54.840 -0.099 0.000 0.812 320 L CB 1.332 43.330 42.059 -0.103 0.000 1.223 320 L HN 0.806 nan 8.230 nan 0.000 0.421 321 N N 3.273 121.923 118.700 -0.083 0.000 2.699 321 N HA -0.220 4.520 4.740 0.000 0.000 0.256 321 N C 1.037 176.511 175.510 -0.060 0.000 0.993 321 N CA 1.177 54.187 53.050 -0.067 0.000 0.759 321 N CB -0.793 37.657 38.487 -0.062 0.000 0.906 321 N HN 1.133 nan 8.380 nan 0.000 0.541 322 G N -1.070 107.691 108.800 -0.064 0.000 2.168 322 G HA2 -0.341 3.619 3.960 0.000 0.000 0.263 322 G HA3 -0.341 3.619 3.960 0.000 0.000 0.263 322 G C -0.108 174.755 174.900 -0.061 0.000 0.977 322 G CA 0.866 45.929 45.100 -0.060 0.000 0.659 322 G HN 0.607 nan 8.290 nan 0.000 0.533 323 Q N -0.052 119.708 119.800 -0.067 0.000 2.377 323 Q HA 0.486 4.826 4.340 0.000 0.000 0.271 323 Q C -1.334 174.613 176.000 -0.089 0.000 1.077 323 Q CA -1.113 54.652 55.803 -0.064 0.000 0.820 323 Q CB 1.470 30.180 28.738 -0.045 0.000 1.347 323 Q HN 0.164 nan 8.270 nan 0.000 0.444 324 D N 1.579 121.923 120.400 -0.093 0.000 2.382 324 D HA -0.014 4.626 4.640 0.000 0.000 0.259 324 D C 0.800 177.025 176.300 -0.125 0.000 1.224 324 D CA 0.197 54.110 54.000 -0.145 0.000 0.894 324 D CB 0.827 41.560 40.800 -0.111 0.000 1.127 324 D HN 0.346 nan 8.370 nan 0.000 0.487 325 R N 3.012 123.387 120.500 -0.209 0.000 2.189 325 R HA 0.042 4.382 4.340 0.000 0.000 0.218 325 R C -0.341 176.011 176.300 0.087 0.000 1.074 325 R CA 0.900 56.967 56.100 -0.054 0.000 0.991 325 R CB -0.278 30.007 30.300 -0.024 0.000 0.883 325 R HN 0.539 nan 8.270 nan 0.000 0.457 326 F N -5.018 114.941 119.950 0.016 0.000 2.769 326 F HA 0.632 5.159 4.527 0.000 0.000 0.313 326 F C -1.099 174.700 175.800 -0.003 0.000 1.146 326 F CA -1.475 56.537 58.000 0.020 0.000 0.934 326 F CB 0.280 39.307 39.000 0.044 0.000 1.283 326 F HN -0.101 nan 8.300 nan 0.000 0.443 327 A N 1.212 124.200 122.820 0.281 0.000 2.425 327 A HA 0.522 4.842 4.320 0.000 0.000 0.242 327 A C 0.216 177.953 177.584 0.255 0.000 1.077 327 A CA 0.076 52.208 52.037 0.159 0.000 0.781 327 A CB -0.167 18.883 19.000 0.083 0.000 1.020 327 A HN 0.814 nan 8.150 nan 0.000 0.494 328 T N 3.541 118.177 114.554 0.136 0.000 2.928 328 T HA 0.324 4.674 4.350 0.000 0.000 0.305 328 T C 0.174 174.948 174.700 0.123 0.000 1.035 328 T CA 0.337 62.539 62.100 0.169 0.000 1.145 328 T CB -0.087 68.831 68.868 0.084 0.000 0.963 328 T HN 0.595 nan 8.240 nan 0.000 0.545 329 R N 2.264 122.882 120.500 0.196 0.000 2.744 329 R HA 0.404 4.744 4.340 0.000 0.000 0.279 329 R C -0.345 176.101 176.300 0.244 0.000 0.977 329 R CA -1.171 54.925 56.100 -0.008 0.000 0.906 329 R CB 1.038 30.980 30.300 -0.597 0.000 1.197 329 R HN 0.443 nan 8.270 nan 0.000 0.463 330 K N 0.504 121.006 120.400 0.169 0.000 2.344 330 K HA 0.038 4.358 4.320 0.000 0.000 0.260 330 K C 1.529 178.379 176.600 0.417 0.000 0.988 330 K CA 0.390 56.817 56.287 0.234 0.000 0.909 330 K CB 0.263 32.856 32.500 0.155 0.000 0.968 330 K HN 0.890 nan 8.250 nan 0.000 0.505 331 G N 0.555 109.580 108.800 0.375 0.000 2.470 331 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 331 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 331 G C 1.447 176.694 174.900 0.577 0.000 1.121 331 G CA 1.030 46.423 45.100 0.489 0.000 0.766 331 G HN 0.609 nan 8.290 nan 0.000 0.553 332 S N -0.313 115.604 115.700 0.361 0.000 2.423 332 S HA -0.148 4.322 4.470 0.000 0.000 0.231 332 S C 2.078 176.783 174.600 0.176 0.000 1.014 332 S CA 1.100 59.444 58.200 0.240 0.000 0.965 332 S CB -0.563 62.727 63.200 0.149 0.000 0.785 332 S HN 0.515 nan 8.310 nan 0.000 0.495 333 Y N 2.245 122.574 120.300 0.048 0.000 2.181 333 Y HA -0.037 4.513 4.550 0.000 0.000 0.288 333 Y C 1.462 177.254 175.900 -0.180 0.000 1.146 333 Y CA 1.219 59.226 58.100 -0.155 0.000 1.164 333 Y CB -0.596 37.644 38.460 -0.368 0.000 0.982 333 Y HN 0.256 nan 8.280 nan 0.000 0.515 334 F N 0.015 119.957 119.950 -0.013 0.000 2.710 334 F HA 0.013 4.540 4.527 0.000 0.000 0.298 334 F C 2.349 178.062 175.800 -0.144 0.000 1.137 334 F CA 0.996 58.931 58.000 -0.108 0.000 1.444 334 F CB -0.467 38.653 39.000 0.200 0.000 1.111 334 F HN 0.234 nan 8.300 nan 0.000 0.580 335 N N 0.403 119.156 118.700 0.087 0.000 2.402 335 N HA -0.049 4.691 4.740 0.000 0.000 0.174 335 N C 1.448 176.878 175.510 -0.134 0.000 1.027 335 N CA 0.743 53.724 53.050 -0.114 0.000 0.891 335 N CB 0.327 38.736 38.487 -0.131 0.000 1.016 335 N HN 0.281 nan 8.380 nan 0.000 0.439 336 K N -0.134 120.198 120.400 -0.113 0.000 2.266 336 K HA 0.150 4.470 4.320 0.000 0.000 0.209 336 K C 2.054 178.575 176.600 -0.132 0.000 1.065 336 K CA 0.268 56.493 56.287 -0.103 0.000 0.946 336 K CB 0.170 32.629 32.500 -0.067 0.000 1.069 336 K HN -0.122 nan 8.250 nan 0.000 0.472 337 V N 2.138 121.917 119.914 -0.224 0.000 2.270 337 V HA -0.215 3.905 4.120 0.000 0.000 0.245 337 V C 2.329 178.254 176.094 -0.281 0.000 1.043 337 V CA 1.582 63.741 62.300 -0.235 0.000 1.014 337 V CB -0.479 31.186 31.823 -0.262 0.000 0.645 337 V HN 0.292 nan 8.190 nan 0.000 0.447 338 Q N -0.446 119.024 119.800 -0.549 0.000 2.112 338 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 338 Q C 0.332 176.177 176.000 -0.258 0.000 0.987 338 Q CA 2.338 57.892 55.803 -0.415 0.000 0.858 338 Q CB -1.684 26.811 28.738 -0.404 0.000 0.905 338 Q HN 0.523 nan 8.270 nan 0.000 0.420 339 P HA -0.103 nan 4.420 nan 0.000 0.225 339 P C 0.967 178.177 177.300 -0.149 0.000 1.156 339 P CA 0.779 63.738 63.100 -0.236 0.000 0.787 339 P CB -0.224 31.322 31.700 -0.257 0.000 0.802 340 Y N 0.996 121.176 120.300 -0.200 0.000 2.220 340 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 340 Y C 2.126 177.950 175.900 -0.126 0.000 1.129 340 Y CA 1.549 59.560 58.100 -0.148 0.000 1.161 340 Y CB -0.569 37.814 38.460 -0.128 0.000 0.997 340 Y HN -0.094 nan 8.280 nan 0.000 0.522 341 Q N 0.281 120.086 119.800 0.009 0.000 2.291 341 Q HA -0.013 4.327 4.340 0.000 0.000 0.205 341 Q C 0.390 176.312 176.000 -0.129 0.000 0.970 341 Q CA 0.991 56.766 55.803 -0.047 0.000 0.876 341 Q CB -0.066 28.678 28.738 0.012 0.000 0.935 341 Q HN 0.439 nan 8.270 nan 0.000 0.455 342 S N -0.503 115.106 115.700 -0.151 0.000 2.627 342 S HA 0.457 4.927 4.470 0.000 0.000 0.283 342 S C 0.286 174.790 174.600 -0.161 0.000 1.127 342 S CA -0.842 57.281 58.200 -0.128 0.000 0.863 342 S CB 1.461 64.603 63.200 -0.098 0.000 1.121 342 S HN 0.470 nan 8.310 nan 0.000 0.479 343 I N -1.903 118.599 120.570 -0.113 0.000 5.071 343 I HA -0.166 4.004 4.170 0.000 0.000 0.126 343 I C 0.374 176.377 176.117 -0.190 0.000 1.290 343 I CA 0.446 61.669 61.300 -0.128 0.000 2.644 343 I CB -2.148 35.737 38.000 -0.191 0.000 2.208 343 I HN 0.893 nan 8.210 nan 0.000 0.322 344 G N 2.833 111.516 108.800 -0.194 0.000 2.687 344 G HA2 0.450 4.410 3.960 0.000 0.000 0.288 344 G HA3 0.450 4.410 3.960 0.000 0.000 0.288 344 G C 0.576 175.375 174.900 -0.169 0.000 0.713 344 G CA 0.301 45.264 45.100 -0.229 0.000 2.023 344 G HN 1.056 nan 8.290 nan 0.000 0.529 345 G N -0.727 107.979 108.800 -0.156 0.000 3.340 345 G HA2 0.600 4.560 3.960 0.000 0.000 0.176 345 G HA3 0.600 4.560 3.960 0.000 0.000 0.176 345 G C -0.996 173.842 174.900 -0.103 0.000 1.103 345 G CA -0.081 44.946 45.100 -0.122 0.000 0.779 345 G HN 0.908 nan 8.290 nan 0.000 0.673 346 V N 0.387 120.246 119.914 -0.091 0.000 2.711 346 V HA 0.651 4.771 4.120 0.000 0.000 0.304 346 V C -0.986 175.118 176.094 0.017 0.000 1.097 346 V CA -0.389 61.882 62.300 -0.049 0.000 0.906 346 V CB 1.904 33.669 31.823 -0.095 0.000 1.015 346 V HN 0.733 nan 8.190 nan 0.000 0.427 347 T N 9.011 123.562 114.554 -0.005 0.000 2.794 347 T HA 0.533 4.883 4.350 0.000 0.000 0.280 347 T C -2.733 171.973 174.700 0.009 0.000 0.987 347 T CA -1.112 60.948 62.100 -0.066 0.000 0.993 347 T CB 1.709 70.438 68.868 -0.232 0.000 0.939 347 T HN 0.526 nan 8.240 nan 0.000 0.449 348 P HA 0.264 nan 4.420 nan 0.000 0.269 348 P C -0.599 176.560 177.300 -0.235 0.000 1.215 348 P CA -0.392 62.495 63.100 -0.355 0.000 0.780 348 P CB 0.343 31.844 31.700 -0.331 0.000 0.898 349 A N 2.139 124.841 122.820 -0.195 0.000 2.483 349 A HA 0.447 4.767 4.320 0.000 0.000 0.238 349 A C 1.489 178.966 177.584 -0.180 0.000 1.070 349 A CA 0.815 52.759 52.037 -0.156 0.000 0.770 349 A CB -1.208 17.762 19.000 -0.050 0.000 1.008 349 A HN 0.850 nan 8.150 nan 0.000 0.497 350 G N -0.030 108.582 108.800 -0.313 0.000 2.232 350 G HA2 -0.126 3.834 3.960 0.000 0.000 0.226 350 G HA3 -0.126 3.834 3.960 0.000 0.000 0.226 350 G C 0.095 174.660 174.900 -0.558 0.000 0.996 350 G CA 0.097 45.077 45.100 -0.200 0.000 0.626 350 G HN 1.490 nan 8.290 nan 0.000 0.509 351 V N 1.318 120.748 119.914 -0.806 0.000 2.459 351 V HA 0.762 4.882 4.120 0.000 0.000 0.295 351 V C -0.366 175.099 176.094 -1.047 0.000 1.029 351 V CA -0.842 60.982 62.300 -0.792 0.000 0.874 351 V CB 1.245 32.729 31.823 -0.565 0.000 0.985 351 V HN 0.277 nan 8.190 nan 0.000 0.438 352 Y N 4.104 124.000 120.300 -0.674 0.000 2.524 352 Y HA 0.743 5.293 4.550 0.000 0.000 0.344 352 Y C -0.233 175.137 175.900 -0.882 0.000 1.012 352 Y CA -1.042 56.531 58.100 -0.880 0.000 1.068 352 Y CB 1.910 39.481 38.460 -1.482 0.000 1.249 352 Y HN 0.386 nan 8.280 nan 0.000 0.468 353 L N 2.697 123.699 121.223 -0.367 0.000 2.422 353 L HA 0.527 4.867 4.340 0.000 0.000 0.264 353 L C -2.283 174.729 176.870 0.236 0.000 0.984 353 L CA -0.837 53.929 54.840 -0.125 0.000 0.819 353 L CB 2.430 44.343 42.059 -0.243 0.000 1.330 353 L HN 0.853 nan 8.230 nan 0.000 0.410 354 Y N 3.101 123.575 120.300 0.290 0.000 2.317 354 Y HA 0.394 4.944 4.550 0.000 0.000 0.325 354 Y C -0.662 175.276 175.900 0.063 0.000 1.066 354 Y CA -0.322 57.950 58.100 0.285 0.000 1.203 354 Y CB 1.735 40.490 38.460 0.493 0.000 1.127 354 Y HN 0.628 nan 8.280 nan 0.000 0.451 355 S N 4.724 120.049 115.700 -0.624 0.000 2.541 355 S HA 0.428 4.898 4.470 0.000 0.000 0.283 355 S C 0.089 174.375 174.600 -0.523 0.000 1.196 355 S CA -0.355 57.636 58.200 -0.349 0.000 1.062 355 S CB 0.393 63.500 63.200 -0.154 0.000 1.009 355 S HN 0.657 nan 8.310 nan 0.000 0.502 356 F N 2.286 122.303 119.950 0.111 0.000 2.721 356 F HA 0.428 4.955 4.527 0.000 0.000 0.301 356 F C 1.167 177.049 175.800 0.138 0.000 1.096 356 F CA -0.088 58.007 58.000 0.158 0.000 1.308 356 F CB 0.282 39.443 39.000 0.269 0.000 1.086 356 F HN 0.585 nan 8.300 nan 0.000 0.587 357 A N 0.238 123.222 122.820 0.272 0.000 2.320 357 A HA 0.551 4.871 4.320 0.000 0.000 0.334 357 A C 0.846 178.505 177.584 0.124 0.000 1.147 357 A CA -0.493 51.677 52.037 0.222 0.000 0.820 357 A CB 0.869 20.032 19.000 0.271 0.000 1.218 357 A HN 0.265 nan 8.150 nan 0.000 0.482 358 L N -0.232 121.056 121.223 0.109 0.000 2.109 358 L HA 0.072 4.412 4.340 0.000 0.000 0.207 358 L C 1.357 178.259 176.870 0.054 0.000 1.086 358 L CA 1.315 56.193 54.840 0.064 0.000 0.760 358 L CB -0.005 42.090 42.059 0.061 0.000 0.910 358 L HN 0.734 nan 8.230 nan 0.000 0.437 359 K N 0.087 120.540 120.400 0.089 0.000 2.753 359 K HA 0.196 4.516 4.320 0.000 0.000 0.185 359 K C -1.883 174.802 176.600 0.142 0.000 1.071 359 K CA -1.347 54.992 56.287 0.086 0.000 0.999 359 K CB 1.173 33.716 32.500 0.072 0.000 1.244 359 K HN -0.212 nan 8.250 nan 0.000 0.594 360 P HA -0.189 nan 4.420 nan 0.000 0.219 360 P C 0.798 178.222 177.300 0.206 0.000 1.146 360 P CA 1.145 64.413 63.100 0.279 0.000 0.808 360 P CB 0.360 32.219 31.700 0.266 0.000 0.779 361 A N -0.112 122.803 122.820 0.159 0.000 2.132 361 A HA 0.304 4.624 4.320 0.000 0.000 0.213 361 A C 1.535 179.140 177.584 0.034 0.000 1.154 361 A CA 0.494 52.542 52.037 0.019 0.000 0.753 361 A CB -1.028 18.071 19.000 0.165 0.000 0.826 361 A HN 0.310 nan 8.150 nan 0.000 0.469 362 G N -1.103 107.747 108.800 0.084 0.000 2.467 362 G HA2 0.380 4.340 3.960 0.000 0.000 0.257 362 G HA3 0.380 4.340 3.960 0.000 0.000 0.257 362 G C 0.651 175.627 174.900 0.125 0.000 1.227 362 G CA -0.558 44.596 45.100 0.089 0.000 0.835 362 G HN 0.131 nan 8.290 nan 0.000 0.556 363 R N 0.025 120.598 120.500 0.122 0.000 2.090 363 R HA 0.021 4.361 4.340 0.000 0.000 0.228 363 R C 1.356 177.786 176.300 0.216 0.000 1.110 363 R CA 0.345 56.549 56.100 0.173 0.000 0.973 363 R CB -0.409 29.977 30.300 0.143 0.000 0.869 363 R HN 0.527 nan 8.270 nan 0.000 0.440 364 Q N 2.812 122.696 119.800 0.140 0.000 2.255 364 Q HA 0.067 4.407 4.340 0.000 0.000 0.280 364 Q C -2.080 173.989 176.000 0.116 0.000 1.068 364 Q CA -1.576 54.282 55.803 0.092 0.000 0.911 364 Q CB 0.818 29.593 28.738 0.062 0.000 1.157 364 Q HN 0.085 nan 8.270 nan 0.000 0.380 365 P HA -0.003 nan 4.420 nan 0.000 0.268 365 P C -0.751 176.590 177.300 0.070 0.000 1.204 365 P CA 0.164 63.273 63.100 0.015 0.000 0.768 365 P CB 0.532 31.990 31.700 -0.404 0.000 0.842 366 S N 1.215 117.004 115.700 0.148 0.000 2.569 366 S HA 0.565 5.035 4.470 0.000 0.000 0.215 366 S C 0.132 174.819 174.600 0.145 0.000 1.096 366 S CA -0.164 58.107 58.200 0.118 0.000 1.183 366 S CB -0.574 62.693 63.200 0.111 0.000 1.324 366 S HN 0.890 nan 8.310 nan 0.000 0.421 367 G N 0.568 109.460 108.800 0.154 0.000 3.363 367 G HA2 0.271 4.231 3.960 0.000 0.000 0.685 367 G HA3 0.271 4.231 3.960 0.000 0.000 0.685 367 G C -0.698 174.352 174.900 0.250 0.000 1.199 367 G CA -0.267 44.941 45.100 0.181 0.000 0.946 367 G HN 0.784 nan 8.290 nan 0.000 0.558 368 T N 0.388 115.070 114.554 0.213 0.000 2.864 368 T HA 0.701 5.051 4.350 0.000 0.000 0.299 368 T C -0.762 173.980 174.700 0.070 0.000 1.166 368 T CA 0.218 62.444 62.100 0.211 0.000 1.007 368 T CB 1.864 70.860 68.868 0.214 0.000 1.219 368 T HN 1.841 nan 8.240 nan 0.000 0.506 369 C N 3.314 122.556 119.300 -0.097 0.000 2.340 369 C HA 0.626 5.086 4.460 0.000 0.000 0.323 369 C C 0.110 175.035 174.990 -0.108 0.000 1.260 369 C CA -0.745 58.091 59.018 -0.304 0.000 1.464 369 C CB -0.607 26.537 27.740 -0.993 0.000 2.156 369 C HN 1.002 nan 8.230 nan 0.000 0.476 370 N N 4.198 122.838 118.700 -0.100 0.000 2.448 370 N HA 0.228 4.968 4.740 0.000 0.000 0.250 370 N C 0.466 175.939 175.510 -0.061 0.000 1.136 370 N CA -0.310 52.729 53.050 -0.019 0.000 0.953 370 N CB 0.243 38.705 38.487 -0.041 0.000 1.251 370 N HN 0.733 nan 8.380 nan 0.000 0.502 371 F N 0.978 120.882 119.950 -0.077 0.000 2.365 371 F HA -0.112 4.415 4.527 0.000 0.000 0.300 371 F C 2.445 178.207 175.800 -0.064 0.000 1.090 371 F CA 0.610 58.582 58.000 -0.048 0.000 1.408 371 F CB -0.014 39.001 39.000 0.026 0.000 1.060 371 F HN 0.492 nan 8.300 nan 0.000 0.534 372 S N -0.853 114.874 115.700 0.046 0.000 2.786 372 S HA 0.075 4.545 4.470 0.000 0.000 0.223 372 S C 1.461 176.037 174.600 -0.040 0.000 0.956 372 S CA 0.035 58.214 58.200 -0.034 0.000 0.961 372 S CB -0.203 62.929 63.200 -0.113 0.000 0.784 372 S HN 0.198 nan 8.310 nan 0.000 0.519 373 R N 0.308 120.775 120.500 -0.056 0.000 2.549 373 R HA 0.476 4.816 4.340 0.000 0.000 0.344 373 R C -0.688 175.555 176.300 -0.096 0.000 0.979 373 R CA -0.062 55.997 56.100 -0.069 0.000 1.140 373 R CB 0.432 30.689 30.300 -0.072 0.000 1.377 373 R HN 0.438 nan 8.270 nan 0.000 0.541 374 I N 1.106 121.608 120.570 -0.114 0.000 2.411 374 I HA 0.137 4.307 4.170 0.000 0.000 0.284 374 I C 0.623 176.690 176.117 -0.083 0.000 1.012 374 I CA -0.389 60.827 61.300 -0.140 0.000 1.119 374 I CB 2.105 39.940 38.000 -0.275 0.000 1.261 374 I HN -0.181 nan 8.210 nan 0.000 0.448 375 D N 3.741 124.100 120.400 -0.069 0.000 2.144 375 D HA -0.111 4.529 4.640 0.000 0.000 0.199 375 D C 0.582 176.852 176.300 -0.050 0.000 0.984 375 D CA 1.567 55.537 54.000 -0.050 0.000 0.834 375 D CB 0.281 41.054 40.800 -0.046 0.000 0.955 375 D HN 0.473 nan 8.370 nan 0.000 0.465 376 N N -0.172 118.492 118.700 -0.061 0.000 2.371 376 N HA 0.377 5.117 4.740 0.000 0.000 0.291 376 N C -1.919 173.553 175.510 -0.062 0.000 1.053 376 N CA -0.279 52.737 53.050 -0.057 0.000 0.870 376 N CB 2.195 40.648 38.487 -0.058 0.000 1.503 376 N HN -0.144 nan 8.380 nan 0.000 0.485 377 A N 2.242 125.041 122.820 -0.034 0.000 2.371 377 A HA 0.778 5.098 4.320 0.000 0.000 0.311 377 A C -0.828 176.744 177.584 -0.020 0.000 1.068 377 A CA -0.404 51.633 52.037 0.000 0.000 0.744 377 A CB 1.474 20.567 19.000 0.156 0.000 1.239 377 A HN 0.537 nan 8.150 nan 0.000 0.435 378 T N 2.011 116.538 114.554 -0.045 0.000 2.916 378 T HA 0.494 4.844 4.350 0.000 0.000 0.305 378 T C -1.249 173.371 174.700 -0.133 0.000 1.119 378 T CA -0.400 61.644 62.100 -0.094 0.000 1.008 378 T CB 1.361 70.167 68.868 -0.104 0.000 1.129 378 T HN 0.585 nan 8.240 nan 0.000 0.480 379 L N 2.670 123.784 121.223 -0.181 0.000 2.276 379 L HA 0.612 4.952 4.340 0.000 0.000 0.286 379 L C -0.175 176.551 176.870 -0.241 0.000 1.024 379 L CA -0.394 54.281 54.840 -0.276 0.000 0.826 379 L CB 1.283 43.106 42.059 -0.393 0.000 1.211 379 L HN 0.635 nan 8.230 nan 0.000 0.422 380 S N 5.798 121.359 115.700 -0.232 0.000 2.438 380 S HA 0.651 5.121 4.470 0.000 0.000 0.293 380 S C -0.537 173.947 174.600 -0.193 0.000 1.141 380 S CA -0.549 57.544 58.200 -0.178 0.000 1.080 380 S CB 0.449 63.559 63.200 -0.151 0.000 0.978 380 S HN 0.537 nan 8.310 nan 0.000 0.479 381 L N 3.722 124.833 121.223 -0.187 0.000 2.333 381 L HA 0.671 5.011 4.340 0.000 0.000 0.269 381 L C -0.364 176.328 176.870 -0.296 0.000 1.010 381 L CA -0.787 53.887 54.840 -0.276 0.000 0.818 381 L CB 2.550 44.404 42.059 -0.342 0.000 1.306 381 L HN 0.502 nan 8.230 nan 0.000 0.430 382 T N 0.123 114.450 114.554 -0.378 0.000 3.031 382 T HA 0.468 4.818 4.350 0.000 0.000 0.305 382 T C -0.922 173.569 174.700 -0.349 0.000 0.985 382 T CA -0.552 61.397 62.100 -0.251 0.000 1.008 382 T CB 0.652 69.461 68.868 -0.098 0.000 1.005 382 T HN 0.152 nan 8.240 nan 0.000 0.444 383 Y N 1.583 121.862 120.300 -0.034 0.000 2.326 383 Y HA 0.485 5.035 4.550 0.000 0.000 0.324 383 Y C 1.235 177.113 175.900 -0.037 0.000 1.291 383 Y CA -0.822 57.238 58.100 -0.065 0.000 1.348 383 Y CB 0.870 39.278 38.460 -0.086 0.000 1.294 383 Y HN 0.350 nan 8.280 nan 0.000 0.525 384 K N -0.053 120.426 120.400 0.130 0.000 2.102 384 K HA 0.287 4.607 4.320 0.000 0.000 0.244 384 K C -0.611 176.032 176.600 0.072 0.000 1.021 384 K CA -0.561 55.772 56.287 0.076 0.000 0.913 384 K CB 0.439 32.975 32.500 0.059 0.000 1.062 384 K HN 0.517 nan 8.250 nan 0.000 0.485 385 T N 1.490 116.072 114.554 0.048 0.000 2.747 385 T HA 0.071 4.421 4.350 0.000 0.000 0.301 385 T C 1.120 175.835 174.700 0.025 0.000 0.952 385 T CA -0.694 61.426 62.100 0.034 0.000 0.983 385 T CB -0.110 68.774 68.868 0.027 0.000 0.930 385 T HN 0.602 nan 8.240 nan 0.000 0.494 386 C N 2.382 121.692 119.300 0.016 0.000 3.731 386 C HA -0.200 4.260 4.460 0.000 0.000 0.291 386 C C 2.594 177.590 174.990 0.009 0.000 1.186 386 C CA 1.261 60.285 59.018 0.009 0.000 1.830 386 C CB -1.409 26.329 27.740 -0.003 0.000 1.914 386 C HN 1.219 nan 8.230 nan 0.000 0.398 387 S N 0.050 115.753 115.700 0.005 0.000 2.616 387 S HA -0.293 4.177 4.470 0.000 0.000 0.254 387 S C 0.027 174.630 174.600 0.006 0.000 1.299 387 S CA 1.690 59.893 58.200 0.005 0.000 1.553 387 S CB -2.285 60.920 63.200 0.008 0.000 1.999 387 S HN 0.661 nan 8.310 nan 0.000 0.677 388 I N 2.728 123.303 120.570 0.007 0.000 2.474 388 I HA 0.279 4.449 4.170 0.000 0.000 0.287 388 I C 0.520 176.639 176.117 0.003 0.000 1.048 388 I CA -0.142 61.162 61.300 0.007 0.000 1.383 388 I CB 0.549 38.555 38.000 0.009 0.000 1.412 388 I HN 0.177 nan 8.210 nan 0.000 0.531 389 D N 5.556 125.957 120.400 0.002 0.000 2.383 389 D HA 0.185 4.825 4.640 0.000 0.000 0.245 389 D C 1.017 177.317 176.300 -0.001 0.000 1.263 389 D CA -0.059 53.941 54.000 0.000 0.000 0.936 389 D CB 1.173 41.973 40.800 0.000 0.000 1.053 389 D HN 0.606 nan 8.370 nan 0.000 0.507 390 A N 2.987 125.805 122.820 -0.003 0.000 2.084 390 A HA -0.186 4.134 4.320 0.000 0.000 0.221 390 A C 2.011 179.590 177.584 -0.008 0.000 1.161 390 A CA 1.955 53.989 52.037 -0.005 0.000 0.653 390 A CB -0.716 18.279 19.000 -0.008 0.000 0.802 390 A HN 0.641 nan 8.150 nan 0.000 0.457 391 T N -3.532 111.018 114.554 -0.007 0.000 3.113 391 T HA 0.182 4.532 4.350 0.000 0.000 0.256 391 T C 0.786 175.483 174.700 -0.005 0.000 1.131 391 T CA 0.739 62.835 62.100 -0.007 0.000 1.074 391 T CB -0.192 68.672 68.868 -0.007 0.000 0.944 391 T HN 0.253 nan 8.240 nan 0.000 0.516 392 S N 2.100 117.798 115.700 -0.003 0.000 2.448 392 S HA 0.439 4.909 4.470 0.000 0.000 0.320 392 S C -1.960 172.639 174.600 -0.001 0.000 1.071 392 S CA -1.722 56.477 58.200 -0.002 0.000 1.113 392 S CB 1.360 64.560 63.200 -0.000 0.000 0.972 392 S HN -0.024 nan 8.310 nan 0.000 0.465 393 P HA -0.041 nan 4.420 nan 0.000 0.215 393 P C 1.261 178.562 177.300 0.003 0.000 1.153 393 P CA 1.162 64.262 63.100 0.000 0.000 0.853 393 P CB 0.115 31.815 31.700 -0.000 0.000 0.788 394 A N -0.445 122.377 122.820 0.002 0.000 2.067 394 A HA -0.011 4.309 4.320 0.000 0.000 0.219 394 A C 2.203 179.790 177.584 0.005 0.000 1.158 394 A CA 1.764 53.803 52.037 0.003 0.000 0.661 394 A CB -1.347 17.654 19.000 0.003 0.000 0.801 394 A HN 0.203 nan 8.150 nan 0.000 0.452 395 A N -0.716 122.107 122.820 0.004 0.000 1.935 395 A HA 0.179 4.499 4.320 0.000 0.000 0.214 395 A C 2.106 179.695 177.584 0.007 0.000 1.178 395 A CA 1.399 53.439 52.037 0.005 0.000 0.640 395 A CB -0.499 18.503 19.000 0.004 0.000 0.825 395 A HN 0.331 nan 8.150 nan 0.000 0.447 396 V N 0.042 119.960 119.914 0.007 0.000 2.407 396 V HA -0.110 4.010 4.120 0.000 0.000 0.245 396 V C 2.265 178.366 176.094 0.012 0.000 1.041 396 V CA 1.448 63.754 62.300 0.009 0.000 1.040 396 V CB -0.739 31.088 31.823 0.006 0.000 0.671 396 V HN 0.514 nan 8.190 nan 0.000 0.455 397 L N 0.501 121.730 121.223 0.010 0.000 2.552 397 L HA 0.231 4.571 4.340 0.000 0.000 0.227 397 L C 1.352 178.228 176.870 0.011 0.000 1.146 397 L CA 0.869 55.715 54.840 0.011 0.000 0.858 397 L CB -0.302 41.762 42.059 0.009 0.000 0.969 397 L HN 0.452 nan 8.230 nan 0.000 0.451 398 G N -0.270 108.536 108.800 0.010 0.000 4.713 398 G HA2 0.248 4.208 3.960 0.000 0.000 0.318 398 G HA3 0.248 4.208 3.960 0.000 0.000 0.318 398 G C -0.706 174.200 174.900 0.010 0.000 1.435 398 G CA -0.289 44.817 45.100 0.009 0.000 0.965 398 G HN -0.032 nan 8.290 nan 0.000 0.542 399 N N -0.445 118.263 118.700 0.013 0.000 3.343 399 N HA 0.487 5.227 4.740 0.000 0.000 0.330 399 N C -0.741 174.779 175.510 0.017 0.000 1.560 399 N CA -0.363 52.696 53.050 0.014 0.000 0.752 399 N CB 1.989 40.485 38.487 0.015 0.000 1.863 399 N HN 0.059 nan 8.380 nan 0.000 0.636 400 T N 0.354 114.919 114.554 0.018 0.000 2.928 400 T HA 0.111 4.461 4.350 0.000 0.000 0.284 400 T C 1.273 175.990 174.700 0.027 0.000 1.008 400 T CA -0.301 61.812 62.100 0.021 0.000 1.057 400 T CB 1.442 70.322 68.868 0.018 0.000 1.018 400 T HN 0.513 nan 8.240 nan 0.000 0.493 401 E N 0.944 121.162 120.200 0.029 0.000 2.160 401 E HA -0.165 4.185 4.350 0.000 0.000 0.195 401 E C 1.459 178.085 176.600 0.043 0.000 0.991 401 E CA 1.510 57.933 56.400 0.038 0.000 0.810 401 E CB 0.065 29.787 29.700 0.038 0.000 0.742 401 E HN 0.761 nan 8.360 nan 0.000 0.466 402 T N -1.641 112.935 114.554 0.037 0.000 3.188 402 T HA 0.195 4.545 4.350 0.000 0.000 0.250 402 T C 0.372 175.094 174.700 0.037 0.000 1.077 402 T CA 0.061 62.184 62.100 0.038 0.000 0.967 402 T CB 0.064 68.951 68.868 0.032 0.000 1.006 402 T HN 0.063 nan 8.240 nan 0.000 0.552 403 V N -1.350 118.585 119.914 0.035 0.000 3.102 403 V HA 0.989 5.109 4.120 0.000 0.000 0.312 403 V C -0.447 175.666 176.094 0.032 0.000 1.135 403 V CA -0.499 61.820 62.300 0.031 0.000 1.022 403 V CB 1.749 33.587 31.823 0.024 0.000 1.056 403 V HN 0.522 nan 8.190 nan 0.000 0.436 404 T N -1.014 113.557 114.554 0.028 0.000 2.681 404 T HA 0.850 5.200 4.350 0.000 0.000 0.296 404 T C 0.057 174.767 174.700 0.017 0.000 1.157 404 T CA -0.383 61.733 62.100 0.026 0.000 1.025 404 T CB 1.183 70.071 68.868 0.032 0.000 1.441 404 T HN 2.123 nan 8.240 nan 0.000 0.504 405 A N 1.929 124.757 122.820 0.014 0.000 2.477 405 A HA 0.325 4.645 4.320 0.000 0.000 0.246 405 A C 1.670 179.255 177.584 0.003 0.000 1.078 405 A CA -0.111 51.930 52.037 0.007 0.000 0.770 405 A CB -0.275 18.728 19.000 0.004 0.000 1.011 405 A HN 0.931 nan 8.150 nan 0.000 0.494 406 N N 2.182 120.882 118.700 -0.000 0.000 2.417 406 N HA -0.152 4.588 4.740 0.000 0.000 0.187 406 N C 0.953 176.459 175.510 -0.007 0.000 1.027 406 N CA 2.016 55.063 53.050 -0.004 0.000 0.891 406 N CB -0.935 37.550 38.487 -0.004 0.000 0.956 406 N HN 0.532 nan 8.380 nan 0.000 0.442 407 T N 0.346 114.897 114.554 -0.005 0.000 3.007 407 T HA 0.112 4.462 4.350 0.000 0.000 0.270 407 T C 1.886 176.585 174.700 -0.002 0.000 1.107 407 T CA 0.937 63.034 62.100 -0.005 0.000 1.118 407 T CB -0.343 68.521 68.868 -0.007 0.000 0.889 407 T HN 0.549 nan 8.240 nan 0.000 0.506 408 A N 1.328 124.147 122.820 -0.002 0.000 2.076 408 A HA -0.128 4.192 4.320 0.000 0.000 0.220 408 A C 2.401 179.972 177.584 -0.020 0.000 1.160 408 A CA 1.709 53.743 52.037 -0.004 0.000 0.653 408 A CB -1.059 17.936 19.000 -0.009 0.000 0.801 408 A HN 0.471 nan 8.150 nan 0.000 0.455 409 T N 0.179 114.718 114.554 -0.026 0.000 2.977 409 T HA -0.060 4.290 4.350 0.000 0.000 0.271 409 T C 1.489 176.181 174.700 -0.014 0.000 1.105 409 T CA 1.182 63.260 62.100 -0.036 0.000 1.116 409 T CB -0.293 68.557 68.868 -0.029 0.000 0.878 409 T HN 0.427 nan 8.240 nan 0.000 0.509 410 L N 0.184 121.410 121.223 0.006 0.000 2.418 410 L HA 0.205 4.545 4.340 0.000 0.000 0.218 410 L C 0.810 177.714 176.870 0.055 0.000 1.125 410 L CA 0.377 55.232 54.840 0.025 0.000 0.835 410 L CB -0.208 41.865 42.059 0.023 0.000 0.953 410 L HN 0.230 nan 8.230 nan 0.000 0.454 411 L N 0.801 122.065 121.223 0.068 0.000 2.416 411 L HA 0.010 4.350 4.340 0.000 0.000 0.243 411 L C 1.685 178.650 176.870 0.160 0.000 1.373 411 L CA -0.098 54.828 54.840 0.143 0.000 1.227 411 L CB -0.480 41.681 42.059 0.170 0.000 1.428 411 L HN 0.246 nan 8.230 nan 0.000 0.425 412 T N -3.057 111.573 114.554 0.126 0.000 3.043 412 T HA 0.128 4.478 4.350 0.000 0.000 0.263 412 T C 0.875 175.666 174.700 0.151 0.000 1.094 412 T CA 0.304 62.470 62.100 0.110 0.000 1.127 412 T CB 0.252 69.159 68.868 0.066 0.000 0.905 412 T HN 0.377 nan 8.240 nan 0.000 0.490 413 A N 1.508 124.439 122.820 0.186 0.000 2.260 413 A HA 0.695 5.015 4.320 0.000 0.000 0.308 413 A C -0.458 177.248 177.584 0.204 0.000 1.254 413 A CA -0.789 51.355 52.037 0.178 0.000 0.874 413 A CB 0.339 19.443 19.000 0.173 0.000 1.153 413 A HN 0.589 nan 8.150 nan 0.000 0.527 414 L N 3.866 125.169 121.223 0.134 0.000 2.265 414 L HA 0.373 4.713 4.340 0.000 0.000 0.289 414 L C -0.927 175.964 176.870 0.035 0.000 1.033 414 L CA -0.596 54.247 54.840 0.006 0.000 0.814 414 L CB 0.722 42.767 42.059 -0.023 0.000 1.203 414 L HN 0.680 nan 8.230 nan 0.000 0.423 415 N N 6.972 125.723 118.700 0.085 0.000 2.446 415 N HA 0.473 5.213 4.740 0.000 0.000 0.265 415 N C -0.922 174.674 175.510 0.143 0.000 0.975 415 N CA -0.252 52.917 53.050 0.199 0.000 0.928 415 N CB 2.323 40.976 38.487 0.277 0.000 1.160 415 N HN 0.507 nan 8.380 nan 0.000 0.495 416 I N 2.755 123.357 120.570 0.053 0.000 2.378 416 I HA 0.349 4.519 4.170 0.000 0.000 0.291 416 I C -0.868 175.324 176.117 0.125 0.000 0.992 416 I CA -0.724 60.689 61.300 0.189 0.000 1.154 416 I CB 0.860 38.953 38.000 0.155 0.000 1.315 416 I HN 0.303 nan 8.210 nan 0.000 0.448 417 Y N 4.243 124.779 120.300 0.392 0.000 2.485 417 Y HA 0.771 5.321 4.550 0.000 0.000 0.345 417 Y C 0.108 175.915 175.900 -0.155 0.000 0.998 417 Y CA -0.928 57.267 58.100 0.158 0.000 1.059 417 Y CB 2.113 40.687 38.460 0.191 0.000 1.234 417 Y HN 0.539 nan 8.280 nan 0.000 0.461 418 A N 2.477 125.044 122.820 -0.422 0.000 2.374 418 A HA 0.744 5.064 4.320 0.000 0.000 0.305 418 A C -1.431 175.795 177.584 -0.597 0.000 1.053 418 A CA -0.961 50.650 52.037 -0.711 0.000 0.726 418 A CB 1.396 19.442 19.000 -1.591 0.000 1.229 418 A HN 0.560 nan 8.150 nan 0.000 0.431 419 K N 2.359 122.340 120.400 -0.698 0.000 2.265 419 K HA 0.398 4.718 4.320 0.000 0.000 0.267 419 K C -0.259 176.035 176.600 -0.510 0.000 0.994 419 K CA -0.308 55.582 56.287 -0.662 0.000 0.860 419 K CB 0.542 32.468 32.500 -0.957 0.000 1.099 419 K HN 0.906 nan 8.250 nan 0.000 0.448 420 N N 2.119 120.600 118.700 -0.364 0.000 2.545 420 N HA 0.304 5.044 4.740 0.000 0.000 0.289 420 N C -0.957 174.380 175.510 -0.289 0.000 1.279 420 N CA -0.554 52.346 53.050 -0.251 0.000 0.824 420 N CB 0.830 39.279 38.487 -0.063 0.000 1.395 420 N HN 0.212 nan 8.380 nan 0.000 0.526 421 Y N -0.779 119.493 120.300 -0.048 0.000 2.496 421 Y HA 0.504 5.054 4.550 0.000 0.000 0.331 421 Y C 0.599 176.431 175.900 -0.115 0.000 1.140 421 Y CA -0.430 57.637 58.100 -0.055 0.000 1.166 421 Y CB 1.368 39.817 38.460 -0.018 0.000 1.249 421 Y HN 0.609 nan 8.280 nan 0.000 0.479 422 N N -0.822 117.935 118.700 0.095 0.000 3.020 422 N HA 0.506 5.246 4.740 0.000 0.000 0.248 422 N C -2.273 173.289 175.510 0.086 0.000 1.480 422 N CA -0.367 52.698 53.050 0.025 0.000 0.874 422 N CB 2.141 40.553 38.487 -0.125 0.000 1.433 422 N HN 0.312 nan 8.380 nan 0.000 0.530 423 V N 1.798 121.790 119.914 0.130 0.000 2.487 423 V HA 0.499 4.619 4.120 0.000 0.000 0.298 423 V C -0.072 176.027 176.094 0.008 0.000 1.028 423 V CA -0.725 61.623 62.300 0.080 0.000 0.860 423 V CB 1.683 33.586 31.823 0.134 0.000 0.991 423 V HN 0.499 nan 8.190 nan 0.000 0.427 424 L N 6.771 128.003 121.223 0.015 0.000 2.276 424 L HA 0.599 4.939 4.340 0.000 0.000 0.286 424 L C 0.214 177.158 176.870 0.123 0.000 1.024 424 L CA -0.529 54.325 54.840 0.023 0.000 0.826 424 L CB 0.717 42.742 42.059 -0.056 0.000 1.211 424 L HN 0.752 nan 8.230 nan 0.000 0.422 425 R N 5.185 125.732 120.500 0.077 0.000 2.294 425 R HA 0.644 4.984 4.340 0.000 0.000 0.319 425 R C -1.149 175.226 176.300 0.126 0.000 0.984 425 R CA -0.656 55.498 56.100 0.090 0.000 0.861 425 R CB 1.507 31.819 30.300 0.019 0.000 1.104 425 R HN 0.488 nan 8.270 nan 0.000 0.451 426 I N 4.320 124.998 120.570 0.181 0.000 2.418 426 I HA 0.441 4.611 4.170 0.000 0.000 0.287 426 I C -0.434 175.768 176.117 0.141 0.000 1.008 426 I CA -0.609 60.808 61.300 0.195 0.000 1.104 426 I CB 1.836 40.021 38.000 0.309 0.000 1.264 426 I HN 0.622 nan 8.210 nan 0.000 0.438 427 M N 3.654 123.304 119.600 0.082 0.000 2.534 427 M HA 0.247 4.727 4.480 0.000 0.000 0.280 427 M C -0.242 176.084 176.300 0.044 0.000 1.217 427 M CA -0.221 55.101 55.300 0.036 0.000 0.893 427 M CB 2.284 34.880 32.600 -0.006 0.000 1.730 427 M HN 0.533 nan 8.290 nan 0.000 0.483 428 S N 1.541 117.270 115.700 0.049 0.000 3.533 428 S HA -0.172 4.298 4.470 0.000 0.000 0.347 428 S C 0.733 175.461 174.600 0.213 0.000 1.101 428 S CA 1.577 59.833 58.200 0.094 0.000 1.009 428 S CB -2.036 61.190 63.200 0.044 0.000 0.916 428 S HN 1.647 nan 8.310 nan 0.000 0.496 429 G N -0.084 108.798 108.800 0.137 0.000 2.179 429 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 429 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 429 G C -0.110 174.801 174.900 0.017 0.000 0.977 429 G CA 0.559 45.696 45.100 0.061 0.000 0.641 429 G HN 1.199 nan 8.290 nan 0.000 0.533 430 M N -1.168 118.403 119.600 -0.047 0.000 2.593 430 M HA 0.774 5.254 4.480 0.000 0.000 0.290 430 M C 0.061 176.369 176.300 0.014 0.000 1.244 430 M CA -0.382 54.721 55.300 -0.329 0.000 0.857 430 M CB 1.947 34.065 32.600 -0.804 0.000 1.738 430 M HN 0.680 nan 8.290 nan 0.000 0.461 431 G N -0.385 108.588 108.800 0.288 0.000 2.600 431 G HA2 0.902 4.862 3.960 0.000 0.000 0.303 431 G HA3 0.902 4.862 3.960 0.000 0.000 0.303 431 G C -1.181 173.852 174.900 0.221 0.000 1.253 431 G CA -0.734 44.506 45.100 0.233 0.000 0.974 431 G HN 1.130 nan 8.290 nan 0.000 0.483 432 G N -1.032 107.836 108.800 0.113 0.000 2.667 432 G HA2 0.487 4.447 3.960 0.000 0.000 0.294 432 G HA3 0.487 4.447 3.960 0.000 0.000 0.294 432 G C -1.201 173.703 174.900 0.008 0.000 1.467 432 G CA -0.882 44.252 45.100 0.058 0.000 0.852 432 G HN 0.631 nan 8.290 nan 0.000 0.521 433 L N 1.597 122.809 121.223 -0.018 0.000 2.331 433 L HA 0.408 4.748 4.340 0.000 0.000 0.278 433 L C 1.865 178.667 176.870 -0.113 0.000 1.106 433 L CA -0.393 54.418 54.840 -0.048 0.000 0.824 433 L CB 1.608 43.648 42.059 -0.031 0.000 1.142 433 L HN 0.809 nan 8.230 nan 0.000 0.443 434 A N 3.742 126.435 122.820 -0.211 0.000 1.883 434 A HA -0.136 4.184 4.320 0.000 0.000 0.217 434 A C 0.369 177.500 177.584 -0.757 0.000 1.186 434 A CA 1.367 53.079 52.037 -0.542 0.000 0.624 434 A CB -0.315 18.222 19.000 -0.772 0.000 0.822 434 A HN 0.607 nan 8.150 nan 0.000 0.444 435 Y N -1.449 118.870 120.300 0.033 0.000 2.328 435 Y HA 0.579 5.129 4.550 0.000 0.000 0.336 435 Y C 0.363 176.345 175.900 0.136 0.000 0.960 435 Y CA -0.754 57.407 58.100 0.101 0.000 1.134 435 Y CB 1.307 39.871 38.460 0.173 0.000 1.166 435 Y HN 0.164 nan 8.280 nan 0.000 0.464 436 A N 4.846 127.795 122.820 0.215 0.000 3.004 436 A HA 0.474 4.794 4.320 0.000 0.000 0.286 436 A C -0.305 177.406 177.584 0.212 0.000 1.632 436 A CA -0.196 51.943 52.037 0.169 0.000 1.339 436 A CB -0.889 18.164 19.000 0.089 0.000 1.136 436 A HN 0.807 nan 8.150 nan 0.000 0.577 437 N N 0.000 118.907 118.700 0.344 0.000 1.763 437 N HA 0.000 4.740 4.740 0.000 0.000 0.220 437 N CA 0.000 53.198 53.050 0.246 0.000 0.885 437 N CB 0.000 38.417 38.487 -0.116 0.000 1.341 437 N HN 0.000 nan 8.380 nan 0.000 0.667