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_C DATA FIRST_RESID 25 DATA SEQUENCE TFFKTVYRRY TNFAIESIQQ TINGSVGFGN KVSTQISRNG DLITDIVVEF DATA SEQUENCE VLTKGGNGGT TYYPAEELLQ DVELEIGGQR IDKHYNDWFR TYDALFRMND DATA SEQUENCE DRYNYRRMTD WVNNELVGAQ KRFYVPLIFF FNQTPGLALP LIALQYHEVK DATA SEQUENCE LYFTLASQVQ GVNYNGSSAI AGAAQPTMSV WVDYIFLDTQ ERTRFAQLPH DATA SEQUENCE EYLIEQLQFT GSETATPSAT 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 -0.449 0.000 1.109 25 T CA 0.000 61.962 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 0.246 119.929 119.950 -0.444 0.000 2.749 26 F HA 0.353 4.880 4.527 -0.000 0.000 0.300 26 F C 1.002 176.281 175.800 -0.868 0.000 1.103 26 F CA -0.167 57.403 58.000 -0.717 0.000 1.342 26 F CB 0.208 38.633 39.000 -0.959 0.000 1.098 26 F HN 0.499 nan 8.300 nan 0.000 0.586 27 F N -0.281 119.745 119.950 0.128 0.000 2.684 27 F HA 0.330 4.857 4.527 -0.000 0.000 0.298 27 F C 0.224 176.039 175.800 0.025 0.000 1.120 27 F CA -0.262 57.784 58.000 0.076 0.000 1.332 27 F CB 0.292 39.335 39.000 0.072 0.000 0.986 27 F HN -0.359 nan 8.300 nan 0.000 0.524 28 K N 0.857 121.286 120.400 0.049 0.000 2.897 28 K HA 0.248 4.568 4.320 -0.000 0.000 0.243 28 K C -0.695 175.848 176.600 -0.095 0.000 1.189 28 K CA 0.045 56.336 56.287 0.006 0.000 1.032 28 K CB 0.506 33.022 32.500 0.026 0.000 1.302 28 K HN -0.096 nan 8.250 nan 0.000 0.568 29 T N 1.564 116.018 114.554 -0.168 0.000 2.884 29 T HA 0.237 4.587 4.350 -0.000 0.000 0.298 29 T C -0.352 174.110 174.700 -0.397 0.000 0.998 29 T CA -0.249 61.650 62.100 -0.335 0.000 1.124 29 T CB 0.903 69.455 68.868 -0.527 0.000 0.931 29 T HN 0.145 nan 8.240 nan 0.000 0.531 30 V N 5.268 124.988 119.914 -0.324 0.000 2.259 30 V HA 0.238 4.358 4.120 -0.000 0.000 0.267 30 V C -0.611 175.376 176.094 -0.177 0.000 1.051 30 V CA -0.857 61.323 62.300 -0.200 0.000 0.830 30 V CB -0.676 31.093 31.823 -0.091 0.000 1.080 30 V HN 0.745 nan 8.190 nan 0.000 0.467 31 Y N 4.779 125.103 120.300 0.040 0.000 2.578 31 Y HA 0.295 4.845 4.550 -0.000 0.000 0.339 31 Y C 1.236 177.176 175.900 0.068 0.000 1.231 31 Y CA -0.305 57.829 58.100 0.057 0.000 1.461 31 Y CB 0.445 38.947 38.460 0.070 0.000 1.323 31 Y HN 0.547 nan 8.280 nan 0.000 0.590 32 R N 3.038 123.691 120.500 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 -0.844 55.369 56.100 0.188 0.000 0.993 32 R CB 0.855 31.243 30.300 0.148 0.000 1.084 32 R HN 0.696 nan 8.270 nan 0.000 0.487 33 R N 1.833 122.429 120.500 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 0.495 30.800 30.300 0.008 0.000 1.016 33 R HN 0.715 nan 8.270 nan 0.000 0.477 34 Y N -1.859 118.501 120.300 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 56.789 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 2.074 116.827 114.554 0.332 0.000 2.814 35 T HA 0.133 4.483 4.350 -0.000 0.000 0.297 35 T C -0.182 174.750 174.700 0.387 0.000 0.956 35 T CA -0.447 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 4.004 122.807 118.700 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 0.128 53.263 53.050 0.141 0.000 0.902 36 N CB -0.097 38.402 38.487 0.020 0.000 1.076 36 N HN 0.608 nan 8.380 nan 0.000 0.455 37 F N 0.105 120.157 119.950 0.171 0.000 2.877 37 F HA 0.822 5.349 4.527 -0.000 0.000 0.319 37 F C -1.751 174.145 175.800 0.160 0.000 1.174 37 F CA -1.211 56.888 58.000 0.165 0.000 0.903 37 F CB 0.632 39.730 39.000 0.164 0.000 1.357 37 F HN 0.521 nan 8.300 nan 0.000 0.472 38 A N 1.010 124.087 122.820 0.428 0.000 2.572 38 A HA 0.855 5.175 4.320 -0.000 0.000 0.295 38 A C -1.745 176.162 177.584 0.539 0.000 1.072 38 A CA -0.824 51.389 52.037 0.292 0.000 0.691 38 A CB 1.491 20.580 19.000 0.149 0.000 1.291 38 A HN 0.842 nan 8.150 nan 0.000 0.404 39 I N 0.446 121.252 120.570 0.393 0.000 2.569 39 I HA 0.649 4.819 4.170 -0.000 0.000 0.296 39 I C -0.224 176.089 176.117 0.326 0.000 1.028 39 I CA -0.373 61.149 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 3.113 123.543 120.200 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 2.185 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 5.254 121.128 115.700 0.290 0.000 2.411 41 S HA 0.465 4.935 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 -0.448 57.963 58.200 0.351 0.000 1.071 41 S CB -0.027 63.313 63.200 0.234 0.000 0.967 41 S HN 0.396 nan 8.310 nan 0.000 0.488 42 I N 4.300 125.170 120.570 0.499 0.000 2.404 42 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 42 I C 0.360 176.530 176.117 0.087 0.000 0.992 42 I CA -0.779 60.719 61.300 0.330 0.000 1.149 42 I CB 1.823 39.918 38.000 0.158 0.000 1.315 42 I HN 0.577 nan 8.210 nan 0.000 0.446 43 Q N 4.002 123.540 119.800 -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 -0.145 55.032 55.803 -1.045 0.000 0.886 43 Q CB 0.904 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 1.026 120.563 119.800 -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 -0.226 55.447 55.803 -0.217 0.000 0.889 44 Q CB 2.181 30.843 28.738 -0.127 0.000 1.281 44 Q HN 0.626 nan 8.270 nan 0.000 0.456 45 T N 1.986 116.461 114.554 -0.131 0.000 2.744 45 T HA 0.508 4.858 4.350 -0.000 0.000 0.291 45 T C 0.035 174.684 174.700 -0.086 0.000 0.957 45 T CA -0.312 61.722 62.100 -0.110 0.000 1.002 45 T CB 0.045 68.866 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 0.692 176.783 176.117 -0.042 0.000 1.046 46 I CA -0.646 60.610 61.300 -0.073 0.000 1.282 46 I CB 0.516 38.447 38.000 -0.114 0.000 1.409 46 I HN 0.494 nan 8.210 nan 0.000 0.484 47 N N 5.719 124.407 118.700 -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 0.624 53.670 53.050 -0.008 0.000 0.973 47 N CB 1.480 39.960 38.487 -0.012 0.000 1.105 47 N HN 0.893 nan 8.380 nan 0.000 0.470 48 G N 1.213 110.021 108.800 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 -1.044 173.864 174.900 0.013 0.000 1.275 48 G CA -0.404 44.712 45.100 0.026 0.000 0.871 48 G HN 0.641 nan 8.290 nan 0.000 0.603 49 S N -0.459 115.252 115.700 0.018 0.000 2.411 49 S HA 0.526 4.996 4.470 -0.000 0.000 0.294 49 S C 0.633 175.231 174.600 -0.003 0.000 1.115 49 S CA -0.243 57.960 58.200 0.006 0.000 1.071 49 S CB 0.555 63.762 63.200 0.012 0.000 0.967 49 S HN 1.453 nan 8.310 nan 0.000 0.488 50 V N 5.430 125.330 119.914 -0.023 0.000 2.529 50 V HA 0.640 4.760 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 0.779 63.051 62.300 -0.047 0.000 1.074 50 V CB 0.205 31.996 31.823 -0.053 0.000 0.958 50 V HN 1.114 nan 8.190 nan 0.000 0.481 51 G N 3.678 112.402 108.800 -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 0.304 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 1.833 177.636 175.800 0.004 0.000 1.094 52 F CA 2.032 60.019 58.000 -0.021 0.000 1.300 52 F CB 0.745 39.743 39.000 -0.003 0.000 1.035 52 F HN 1.569 nan 8.300 nan 0.000 0.581 53 G N 1.885 110.803 108.800 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 0.018 174.977 174.900 0.098 0.000 0.986 53 G CA 0.032 45.209 45.100 0.129 0.000 0.683 53 G HN 0.649 nan 8.290 nan 0.000 0.527 54 N N 0.283 119.032 118.700 0.081 0.000 2.487 54 N HA 0.549 5.289 4.740 -0.000 0.000 0.292 54 N C -0.023 175.543 175.510 0.094 0.000 1.108 54 N CA -0.214 52.880 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 0.252 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 0.559 4.879 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 1.513 121.544 119.914 0.194 0.000 3.102 56 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 56 V C -1.043 175.213 176.094 0.270 0.000 1.135 56 V CA -0.319 62.084 62.300 0.172 0.000 1.022 56 V CB 2.447 34.330 31.823 0.100 0.000 1.056 56 V HN 1.040 nan 8.190 nan 0.000 0.436 57 S N 1.727 117.531 115.700 0.174 0.000 2.688 57 S HA 0.806 5.276 4.470 -0.000 0.000 0.275 57 S C -1.050 173.583 174.600 0.056 0.000 1.175 57 S CA -0.622 57.633 58.200 0.091 0.000 0.818 57 S CB 2.321 65.367 63.200 -0.258 0.000 1.157 57 S HN 0.771 nan 8.310 nan 0.000 0.482 58 T N 1.351 115.882 114.554 -0.039 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 -0.543 61.543 62.100 -0.023 0.000 1.028 58 T CB 1.666 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 4.249 123.994 119.800 -0.092 0.000 2.368 59 Q HA 0.380 4.720 4.340 -0.000 0.000 0.256 59 Q C -0.164 175.805 176.000 -0.051 0.000 0.980 59 Q CA -0.852 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 0.503 nan 8.270 nan 0.000 0.458 60 I N 3.794 124.333 120.570 -0.051 0.000 2.821 60 I HA -0.091 4.079 4.170 -0.000 0.000 0.294 60 I C 0.655 176.782 176.117 0.016 0.000 1.210 60 I CA 0.712 62.001 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 0.504 175.151 174.600 0.079 0.000 1.339 61 S CA -0.786 57.438 58.200 0.040 0.000 1.039 61 S CB 0.937 64.136 63.200 -0.001 0.000 0.902 61 S HN 0.541 nan 8.310 nan 0.000 0.516 62 R N 2.222 122.726 120.500 0.007 0.000 4.390 62 R HA 0.216 4.556 4.340 -0.000 0.000 0.229 62 R C 0.445 176.698 176.300 -0.079 0.000 1.674 62 R CA -0.306 55.792 56.100 -0.003 0.000 1.526 62 R CB -0.498 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 0.436 118.998 118.700 -0.229 0.000 2.148 63 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 63 N C 1.106 176.403 175.510 -0.355 0.000 1.031 63 N CA 1.001 53.819 53.050 -0.387 0.000 0.848 63 N CB 0.218 38.240 38.487 -0.774 0.000 1.005 63 N HN 0.343 nan 8.380 nan 0.000 0.427 64 G N 0.076 108.567 108.800 -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 0.085 174.843 174.900 -0.236 0.000 1.315 64 G CA -0.302 44.453 45.100 -0.576 0.000 1.045 64 G HN -0.030 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 0.986 54.846 54.000 -0.233 0.000 0.847 65 D CB 0.300 40.969 40.800 -0.218 0.000 0.988 65 D HN 0.097 nan 8.370 nan 0.000 0.480 66 L N 0.561 121.588 121.223 -0.326 0.000 2.333 66 L HA 0.539 4.879 4.340 -0.000 0.000 0.263 66 L C -0.354 176.304 176.870 -0.353 0.000 1.014 66 L CA -1.182 53.438 54.840 -0.366 0.000 0.820 66 L CB 2.725 44.535 42.059 -0.414 0.000 1.352 66 L HN -0.121 nan 8.230 nan 0.000 0.421 67 I N -2.070 118.244 120.570 -0.427 0.000 2.608 67 I HA 0.702 4.872 4.170 -0.000 0.000 0.295 67 I C 0.085 176.044 176.117 -0.263 0.000 1.049 67 I CA -0.259 60.754 61.300 -0.478 0.000 1.063 67 I CB 2.197 39.792 38.000 -0.675 0.000 1.248 67 I HN 0.782 nan 8.210 nan 0.000 0.424 68 T N 0.244 114.729 114.554 -0.114 0.000 2.709 68 T HA 0.265 4.615 4.350 -0.000 0.000 0.174 68 T C 0.329 175.090 174.700 0.101 0.000 0.774 68 T CA -0.126 62.002 62.100 0.047 0.000 1.309 68 T CB -0.385 68.472 68.868 -0.018 0.000 2.586 68 T HN 0.595 nan 8.240 nan 0.000 0.401 69 D N 1.195 121.607 120.400 0.020 0.000 2.382 69 D HA 0.449 5.089 4.640 -0.000 0.000 0.240 69 D C -0.397 175.927 176.300 0.040 0.000 1.146 69 D CA 0.268 54.271 54.000 0.004 0.000 0.897 69 D CB 0.865 41.667 40.800 0.002 0.000 1.197 69 D HN 0.432 nan 8.370 nan 0.000 0.432 70 I N 1.061 121.655 120.570 0.040 0.000 2.571 70 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 70 I C -0.756 175.427 176.117 0.110 0.000 1.115 70 I CA -0.810 60.549 61.300 0.098 0.000 1.045 70 I CB 2.253 40.329 38.000 0.128 0.000 1.238 70 I HN -0.075 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 -0.267 175.908 176.094 0.135 0.000 1.043 71 V CA -0.761 61.632 62.300 0.155 0.000 0.888 71 V CB 2.533 34.458 31.823 0.170 0.000 0.995 71 V HN 0.375 nan 8.190 nan 0.000 0.429 72 V N 3.920 123.845 119.914 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 -0.359 0.000 1.023 72 V CA -0.545 61.612 62.300 -0.239 0.000 0.857 72 V CB 1.407 32.974 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 -1.280 175.099 176.600 -0.369 0.000 0.992 73 E CA -0.171 56.031 56.400 -0.330 0.000 0.803 73 E CB 1.504 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 1.743 121.621 119.950 -0.119 0.000 2.532 74 F HA 0.417 4.944 4.527 -0.000 0.000 0.321 74 F C -0.283 175.527 175.800 0.018 0.000 1.089 74 F CA -1.203 56.760 58.000 -0.062 0.000 0.926 74 F CB 1.763 40.718 39.000 -0.075 0.000 1.168 74 F HN 0.122 nan 8.300 nan 0.000 0.459 75 V N 5.224 125.282 119.914 0.240 0.000 2.378 75 V HA 0.484 4.604 4.120 -0.000 0.000 0.288 75 V C -0.376 175.835 176.094 0.195 0.000 1.016 75 V CA -0.514 61.893 62.300 0.177 0.000 0.840 75 V CB 1.536 33.408 31.823 0.081 0.000 0.994 75 V HN 0.549 nan 8.190 nan 0.000 0.431 76 L N 3.479 124.903 121.223 0.334 0.000 2.309 76 L HA 0.763 5.103 4.340 -0.000 0.000 0.261 76 L C -0.184 176.978 176.870 0.487 0.000 1.021 76 L CA -0.555 54.484 54.840 0.332 0.000 0.823 76 L CB 2.764 44.964 42.059 0.235 0.000 1.366 76 L HN 0.456 nan 8.230 nan 0.000 0.423 77 T N 0.438 115.222 114.554 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 61.581 62.100 0.286 0.000 0.960 77 T CB 1.702 70.655 68.868 0.142 0.000 0.948 77 T HN 0.364 nan 8.240 nan 0.000 0.438 78 K N 1.170 121.465 120.400 -0.174 0.000 2.414 78 K HA 0.336 4.656 4.320 -0.000 0.000 0.272 78 K C 1.127 177.564 176.600 -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 -0.971 0.000 0.925 78 K HN 0.798 nan 8.250 nan 0.000 0.487 79 G N 1.291 109.943 108.800 -0.248 0.000 3.228 79 G HA2 0.257 4.217 3.960 -0.000 0.000 0.245 79 G HA3 0.257 4.217 3.960 -0.000 0.000 0.245 79 G C 0.250 175.055 174.900 -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 -0.278 108.405 108.800 -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 -0.999 173.807 174.900 -0.158 0.000 1.256 80 G CA -0.593 44.420 45.100 -0.145 0.000 0.859 80 G HN 0.062 nan 8.290 nan 0.000 0.590 81 N N -0.902 117.736 118.700 -0.104 0.000 3.061 81 N HA 0.461 5.201 4.740 -0.000 0.000 0.346 81 N C 0.540 176.017 175.510 -0.056 0.000 1.392 81 N CA 0.033 53.029 53.050 -0.089 0.000 0.762 81 N CB 0.003 38.459 38.487 -0.051 0.000 1.367 81 N HN 0.734 nan 8.380 nan 0.000 0.607 82 G N -1.130 107.656 108.800 -0.024 0.000 2.257 82 G HA2 0.268 4.228 3.960 -0.000 0.000 0.235 82 G HA3 0.268 4.228 3.960 -0.000 0.000 0.235 82 G C 0.988 175.916 174.900 0.047 0.000 1.225 82 G CA 0.665 45.775 45.100 0.017 0.000 0.878 82 G HN 0.926 nan 8.290 nan 0.000 0.505 83 G N 1.386 110.235 108.800 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 0.897 175.897 174.900 0.168 0.000 1.010 83 G CA 0.954 46.126 45.100 0.120 0.000 0.736 83 G HN 1.127 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 0.832 175.542 174.700 0.017 0.000 1.035 84 T CA 1.096 63.240 62.100 0.074 0.000 0.941 84 T CB 0.625 69.476 68.868 -0.028 0.000 1.026 84 T HN 0.351 nan 8.240 nan 0.000 0.533 85 T N 1.175 115.807 114.554 0.130 0.000 2.887 85 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 85 T C -2.026 172.852 174.700 0.297 0.000 1.021 85 T CA -0.433 61.775 62.100 0.180 0.000 1.000 85 T CB 1.610 70.655 68.868 0.295 0.000 1.034 85 T HN 0.107 nan 8.240 nan 0.000 0.467 86 Y N 2.960 123.320 120.300 0.100 0.000 2.422 86 Y HA 0.319 4.869 4.550 -0.000 0.000 0.344 86 Y C -0.941 175.085 175.900 0.210 0.000 1.097 86 Y CA -1.539 56.645 58.100 0.139 0.000 1.307 86 Y CB -0.097 38.531 38.460 0.281 0.000 1.102 86 Y HN 0.841 nan 8.280 nan 0.000 0.520 87 Y N 4.424 124.609 120.300 -0.191 0.000 3.078 87 Y HA -0.278 4.272 4.550 -0.000 0.000 0.202 87 Y C -1.860 173.892 175.900 -0.246 0.000 1.322 87 Y CA 0.258 58.231 58.100 -0.210 0.000 1.118 87 Y CB -0.978 37.378 38.460 -0.173 0.000 1.343 87 Y HN 0.472 nan 8.280 nan 0.000 0.499 88 P HA -0.282 nan 4.420 nan 0.000 0.214 88 P C 1.627 178.691 177.300 -0.393 0.000 1.163 88 P CA 2.536 65.464 63.100 -0.288 0.000 0.883 88 P CB 0.094 31.636 31.700 -0.262 0.000 0.788 89 A N -0.289 122.217 122.820 -0.524 0.000 1.972 89 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 89 A C 2.326 179.867 177.584 -0.071 0.000 1.169 89 A CA 1.805 53.629 52.037 -0.356 0.000 0.635 89 A CB -1.241 17.574 19.000 -0.309 0.000 0.810 89 A HN 0.238 nan 8.150 nan 0.000 0.446 90 E N -0.255 119.920 120.200 -0.043 0.000 2.028 90 E HA -0.228 4.122 4.350 -0.000 0.000 0.190 90 E C 2.031 178.583 176.600 -0.080 0.000 0.984 90 E CA 1.188 57.633 56.400 0.074 0.000 0.800 90 E CB -0.252 29.588 29.700 0.235 0.000 0.758 90 E HN 0.723 nan 8.360 nan 0.000 0.448 91 E N 0.631 120.637 120.200 -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 0.605 56.676 56.400 -0.549 0.000 0.811 91 E CB -0.119 28.916 29.700 -1.109 0.000 0.746 91 E HN 0.358 nan 8.360 nan 0.000 0.466 92 L N 0.783 121.851 121.223 -0.259 0.000 2.081 92 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 92 L C 1.322 178.118 176.870 -0.122 0.000 1.080 92 L CA 0.822 55.502 54.840 -0.266 0.000 0.754 92 L CB -0.037 41.652 42.059 -0.617 0.000 0.893 92 L HN 0.265 nan 8.230 nan 0.000 0.433 93 L N 0.692 121.912 121.223 -0.005 0.000 2.387 93 L HA -0.026 4.314 4.340 -0.000 0.000 0.267 93 L C 1.338 178.193 176.870 -0.025 0.000 1.197 93 L CA -0.012 54.880 54.840 0.086 0.000 1.070 93 L CB 0.668 42.788 42.059 0.102 0.000 1.349 93 L HN 0.351 nan 8.230 nan 0.000 0.422 94 Q N 1.302 121.123 119.800 0.035 0.000 2.096 94 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 94 Q C -0.397 175.646 176.000 0.072 0.000 0.982 94 Q CA 1.339 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 -1.195 119.234 120.400 0.049 0.000 2.661 95 D HA 0.412 5.052 4.640 -0.000 0.000 0.228 95 D C -1.493 174.805 176.300 -0.002 0.000 1.210 95 D CA -0.472 53.503 54.000 -0.041 0.000 0.826 95 D CB 2.497 43.266 40.800 -0.051 0.000 1.542 95 D HN -0.042 nan 8.370 nan 0.000 0.447 96 V N 0.425 120.316 119.914 -0.038 0.000 2.610 96 V HA 0.335 4.455 4.120 -0.000 0.000 0.298 96 V C -0.501 175.641 176.094 0.080 0.000 1.067 96 V CA -0.787 61.518 62.300 0.009 0.000 0.894 96 V CB 2.180 34.081 31.823 0.130 0.000 1.015 96 V HN 0.509 nan 8.190 nan 0.000 0.432 97 E N 4.342 124.522 120.200 -0.034 0.000 2.158 97 E HA 0.537 4.887 4.350 -0.000 0.000 0.271 97 E C -1.513 174.983 176.600 -0.173 0.000 0.911 97 E CA -0.723 55.648 56.400 -0.048 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 4.879 125.855 121.223 -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 -0.228 0.000 1.032 98 L CA -0.098 54.424 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 5.879 126.016 120.200 -0.105 0.000 2.222 99 E HA 0.514 4.864 4.350 -0.000 0.000 0.267 99 E C -1.604 174.960 176.600 -0.061 0.000 0.884 99 E CA -0.673 55.706 56.400 -0.035 0.000 0.764 99 E CB 2.180 31.940 29.700 0.100 0.000 1.169 99 E HN 0.672 nan 8.360 nan 0.000 0.413 100 I N 3.003 123.525 120.570 -0.079 0.000 2.447 100 I HA 0.326 4.496 4.170 -0.000 0.000 0.287 100 I C 0.640 176.603 176.117 -0.255 0.000 1.023 100 I CA -0.534 60.700 61.300 -0.110 0.000 1.083 100 I CB 1.961 39.928 38.000 -0.056 0.000 1.245 100 I HN 0.908 nan 8.210 nan 0.000 0.434 101 G N 4.158 112.747 108.800 -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 0.993 175.681 174.900 -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 -1.794 106.912 108.800 -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 0.336 175.192 174.900 -0.074 0.000 0.982 102 G CA 1.212 46.268 45.100 -0.073 0.000 0.632 102 G HN 1.344 nan 8.290 nan 0.000 0.529 103 Q N 0.305 120.040 119.800 -0.108 0.000 2.257 103 Q HA 0.515 4.855 4.340 -0.000 0.000 0.255 103 Q C 0.495 176.462 176.000 -0.056 0.000 0.920 103 Q CA -0.882 54.877 55.803 -0.073 0.000 0.927 103 Q CB 0.844 29.538 28.738 -0.074 0.000 1.229 103 Q HN 0.451 nan 8.270 nan 0.000 0.433 104 R N 4.436 124.910 120.500 -0.043 0.000 2.296 104 R HA 0.083 4.423 4.340 -0.000 0.000 0.323 104 R C 0.257 176.542 176.300 -0.027 0.000 1.067 104 R CA 0.134 56.209 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 1.450 121.995 120.570 -0.041 0.000 2.628 105 I HA 0.221 4.391 4.170 -0.000 0.000 0.255 105 I C 0.194 176.316 176.117 0.008 0.000 1.119 105 I CA 0.751 62.046 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 -0.155 120.218 120.400 -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 53.499 54.000 0.050 0.000 0.772 106 D CB 2.168 43.060 40.800 0.153 0.000 1.379 106 D HN -0.105 nan 8.370 nan 0.000 0.428 107 K N 1.689 122.217 120.400 0.214 0.000 2.581 107 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 107 K C -1.441 175.335 176.600 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 0.405 nan 8.250 nan 0.000 0.438 108 H N 1.426 120.534 119.070 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 -0.149 0.000 1.181 108 H CA -0.252 55.859 56.048 0.106 0.000 1.242 108 H CB 0.760 30.708 29.762 0.310 0.000 1.652 108 H HN 0.421 nan 8.280 nan 0.000 0.548 109 Y N -0.660 119.872 120.300 0.388 0.000 2.605 109 Y HA 0.148 4.698 4.550 -0.000 0.000 0.343 109 Y C 1.584 177.554 175.900 0.117 0.000 1.036 109 Y CA -0.971 57.248 58.100 0.197 0.000 1.065 109 Y CB 0.800 39.341 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 1.277 176.972 175.510 0.308 0.000 1.041 110 N CA 2.433 55.590 53.050 0.179 0.000 0.862 110 N CB -0.257 38.391 38.487 0.269 0.000 1.048 110 N HN 0.964 nan 8.380 nan 0.000 0.427 111 D N -0.519 120.064 120.400 0.304 0.000 2.264 111 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 111 D C 1.909 178.332 176.300 0.205 0.000 0.966 111 D CA 0.688 54.833 54.000 0.240 0.000 0.864 111 D CB -0.234 40.710 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 0.040 0.000 1.205 112 W CA 0.398 57.603 57.345 -0.233 0.000 1.285 112 W CB -0.360 29.028 29.460 -0.120 0.000 1.133 112 W HN -0.060 nan 8.180 nan 0.000 0.521 113 F N 1.372 121.148 119.950 -0.291 0.000 2.095 113 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 113 F C 2.723 178.345 175.800 -0.297 0.000 1.104 113 F CA 2.136 59.941 58.000 -0.326 0.000 1.232 113 F CB -1.487 37.498 39.000 -0.025 0.000 0.987 113 F HN -0.141 nan 8.300 nan 0.000 0.475 114 R N 0.070 120.588 120.500 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 2.221 58.268 56.100 -0.088 0.000 0.952 114 R CB -1.038 29.217 30.300 -0.076 0.000 0.850 114 R HN 0.182 nan 8.270 nan 0.000 0.433 115 T N -0.213 114.215 114.554 -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 1.490 63.383 62.100 -0.344 0.000 1.141 115 T CB -0.510 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 2.045 121.766 120.300 -0.964 0.000 2.181 116 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 116 Y C 2.199 177.798 175.900 -0.502 0.000 1.146 116 Y CA 1.698 59.261 58.100 -0.894 0.000 1.164 116 Y CB -0.480 37.221 38.460 -1.265 0.000 0.982 116 Y HN 0.180 nan 8.280 nan 0.000 0.515 117 D N -0.230 119.886 120.400 -0.472 0.000 2.117 117 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 117 D C 2.196 178.266 176.300 -0.383 0.000 0.987 117 D CA 1.506 55.231 54.000 -0.459 0.000 0.829 117 D CB -0.353 40.211 40.800 -0.392 0.000 0.961 117 D HN 0.423 nan 8.370 nan 0.000 0.460 118 A N -0.418 122.201 122.820 -0.335 0.000 1.969 118 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 118 A C 2.244 179.602 177.584 -0.378 0.000 1.169 118 A CA 0.897 52.770 52.037 -0.273 0.000 0.635 118 A CB -0.445 18.424 19.000 -0.218 0.000 0.810 118 A HN 0.349 nan 8.150 nan 0.000 0.445 119 L N -2.880 118.009 121.223 -0.557 0.000 2.185 119 L HA 0.121 4.461 4.340 -0.000 0.000 0.198 119 L C 2.108 178.403 176.870 -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 -1.110 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 1.447 176.922 175.800 -0.541 0.000 1.122 120 F CA -0.313 57.290 58.000 -0.662 0.000 1.427 120 F CB 0.056 38.538 39.000 -0.864 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 0.076 119.633 119.600 -0.072 0.000 2.833 122 M HA 0.384 4.864 4.480 -0.000 0.000 0.270 122 M C -0.756 175.551 176.300 0.012 0.000 1.209 122 M CA -0.890 54.389 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 -0.015 118.699 118.700 0.023 0.000 1.202 123 N HA -0.246 4.494 4.740 -0.000 0.000 0.108 123 N C -0.293 175.270 175.510 0.089 0.000 0.816 123 N CA 1.508 54.579 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 -0.047 120.404 120.400 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 1.509 55.593 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 0.302 120.760 120.400 0.096 0.000 2.123 125 D HA -0.163 4.477 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 0.987 55.038 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 -1.380 119.199 120.500 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 1.035 57.243 56.100 0.180 0.000 0.976 126 R CB -0.425 29.949 30.300 0.124 0.000 0.870 126 R HN 0.335 nan 8.270 nan 0.000 0.445 127 Y N 1.234 121.615 120.300 0.135 0.000 2.263 127 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 127 Y C 1.884 177.853 175.900 0.114 0.000 1.130 127 Y CA 1.602 59.777 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 -1.102 117.594 118.700 -0.006 0.000 2.188 128 N HA -0.267 4.473 4.740 -0.000 0.000 0.184 128 N C 1.891 177.373 175.510 -0.046 0.000 1.018 128 N CA 1.153 54.140 53.050 -0.104 0.000 0.858 128 N CB -0.436 38.051 38.487 -0.000 0.000 0.989 128 N HN 0.490 nan 8.380 nan 0.000 0.426 129 Y N 1.905 122.193 120.300 -0.020 0.000 2.224 129 Y HA -0.116 4.434 4.550 -0.000 0.000 0.289 129 Y C 2.549 178.500 175.900 0.085 0.000 1.146 129 Y CA 1.437 59.562 58.100 0.042 0.000 1.182 129 Y CB -0.305 38.196 38.460 0.069 0.000 0.983 129 Y HN -0.044 nan 8.280 nan 0.000 0.524 130 R N 0.159 120.656 120.500 -0.004 0.000 2.115 130 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 130 R C 2.307 178.459 176.300 -0.246 0.000 1.100 130 R CA 1.153 57.203 56.100 -0.084 0.000 0.980 130 R CB -0.116 30.199 30.300 0.024 0.000 0.875 130 R HN 0.297 nan 8.270 nan 0.000 0.445 131 R N -0.326 119.977 120.500 -0.328 0.000 2.120 131 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 131 R C 2.106 178.281 176.300 -0.207 0.000 1.123 131 R CA 1.705 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 -0.874 118.627 119.600 -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 -0.296 114.198 114.554 -0.101 0.000 3.001 133 T HA 0.074 4.424 4.350 -0.000 0.000 0.251 133 T C -0.102 174.561 174.700 -0.061 0.000 1.040 133 T CA 0.164 62.230 62.100 -0.056 0.000 0.985 133 T CB 0.156 68.896 68.868 -0.213 0.000 1.011 133 T HN 0.491 nan 8.240 nan 0.000 0.509 134 D N -1.292 119.108 120.400 -0.001 0.000 2.792 134 D HA 0.024 4.664 4.640 -0.000 0.000 0.335 134 D C -1.481 174.810 176.300 -0.015 0.000 1.353 134 D CA -0.881 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 0.829 122.223 121.300 0.156 0.000 2.345 135 W HA 0.409 5.069 4.660 -0.000 0.000 0.308 135 W C 0.926 177.464 176.519 0.031 0.000 1.273 135 W CA -0.580 56.813 57.345 0.081 0.000 1.243 135 W CB 1.429 30.942 29.460 0.090 0.000 1.260 135 W HN 0.347 nan 8.180 nan 0.000 0.509 136 V N 0.095 120.131 119.914 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 0.136 0.000 0.997 136 V HN 0.554 nan 8.190 nan 0.000 0.469 137 N N 2.588 121.395 118.700 0.179 0.000 2.338 137 N HA 0.200 4.940 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 53.343 53.050 0.139 0.000 0.879 137 N CB 0.328 38.889 38.487 0.123 0.000 1.159 137 N HN 0.539 nan 8.380 nan 0.000 0.514 138 N N 0.937 119.705 118.700 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 0.887 53.979 53.050 0.069 0.000 0.786 138 N CB -1.127 37.392 38.487 0.054 0.000 1.137 138 N HN 0.541 nan 8.380 nan 0.000 0.566 139 E N 0.810 121.039 120.200 0.049 0.000 2.492 139 E HA 0.024 4.374 4.350 -0.000 0.000 0.266 139 E C 0.996 177.520 176.600 -0.126 0.000 1.047 139 E CA 0.483 56.868 56.400 -0.024 0.000 0.968 139 E CB 0.935 30.628 29.700 -0.011 0.000 0.960 139 E HN 0.345 nan 8.360 nan 0.000 0.452 140 L N 0.536 121.681 121.223 -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 -1.381 53.376 54.840 -0.138 0.000 0.858 140 L CB 0.583 42.595 42.059 -0.078 0.000 1.519 140 L HN 0.258 nan 8.230 nan 0.000 0.508 141 V N 0.774 120.597 119.914 -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 63.830 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 3.006 111.732 108.800 -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 1.707 nan 8.290 nan 0.000 0.532 143 A N 0.262 123.026 122.820 -0.094 0.000 2.520 143 A HA 0.554 4.874 4.320 -0.000 0.000 0.245 143 A C 0.493 178.185 177.584 0.181 0.000 1.072 143 A CA 1.204 53.243 52.037 0.003 0.000 0.761 143 A CB 0.402 19.354 19.000 -0.081 0.000 1.004 143 A HN 0.820 nan 8.150 nan 0.000 0.499 144 Q N 2.025 121.971 119.800 0.243 0.000 2.331 144 Q HA 0.549 4.889 4.340 -0.000 0.000 0.267 144 Q C -0.818 175.324 176.000 0.235 0.000 1.006 144 Q CA -0.557 55.423 55.803 0.295 0.000 0.818 144 Q CB 1.120 29.951 28.738 0.156 0.000 1.276 144 Q HN 0.783 nan 8.270 nan 0.000 0.450 145 K N 2.429 122.936 120.400 0.178 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 -0.510 0.000 1.015 145 K CA -0.875 55.239 56.287 -0.289 0.000 0.860 145 K CB 1.708 33.758 32.500 -0.750 0.000 1.359 145 K HN 0.447 nan 8.250 nan 0.000 0.452 146 R N 2.101 122.220 120.500 -0.635 0.000 2.294 146 R HA 0.346 4.686 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 -0.570 0.000 0.861 146 R CB 0.144 30.214 30.300 -0.383 0.000 1.104 146 R HN 0.411 nan 8.270 nan 0.000 0.451 147 F N 2.947 122.623 119.950 -0.457 0.000 2.492 147 F HA 0.424 4.951 4.527 -0.000 0.000 0.327 147 F C -0.308 175.159 175.800 -0.556 0.000 1.079 147 F CA -0.748 57.018 58.000 -0.390 0.000 0.967 147 F CB 1.325 40.193 39.000 -0.220 0.000 1.169 147 F HN 0.326 nan 8.300 nan 0.000 0.472 148 Y N 1.261 121.596 120.300 0.058 0.000 2.332 148 Y HA 0.542 5.092 4.550 -0.000 0.000 0.326 148 Y C -0.714 175.210 175.900 0.039 0.000 0.978 148 Y CA -1.123 56.977 58.100 0.000 0.000 1.205 148 Y CB 1.661 40.090 38.460 -0.053 0.000 1.131 148 Y HN 0.205 nan 8.280 nan 0.000 0.462 149 V N 6.195 126.207 119.914 0.164 0.000 2.277 149 V HA 0.292 4.412 4.120 -0.000 0.000 0.269 149 V C -2.176 174.059 176.094 0.235 0.000 1.036 149 V CA -2.055 60.385 62.300 0.232 0.000 0.821 149 V CB 0.753 32.724 31.823 0.247 0.000 1.052 149 V HN 0.519 nan 8.190 nan 0.000 0.462 150 P HA 0.205 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 -0.090 63.081 63.100 0.119 0.000 0.768 150 P CB 1.183 32.933 31.700 0.085 0.000 0.856 151 L N 4.422 125.652 121.223 0.013 0.000 2.473 151 L HA 0.215 4.555 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 -0.135 54.641 54.840 -0.108 0.000 0.823 151 L CB 0.132 42.156 42.059 -0.058 0.000 1.099 151 L HN 0.430 nan 8.230 nan 0.000 0.483 152 I N -2.283 117.945 120.570 -0.570 0.000 3.083 152 I HA 0.285 4.455 4.170 -0.000 0.000 0.336 152 I C -0.277 175.568 176.117 -0.453 0.000 1.497 152 I CA -0.468 60.503 61.300 -0.548 0.000 0.936 152 I CB -0.043 37.503 38.000 -0.757 0.000 1.671 152 I HN 0.214 nan 8.210 nan 0.000 0.535 153 F N 0.997 120.689 119.950 -0.429 0.000 2.373 153 F HA 0.297 4.824 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 -0.599 57.105 58.000 -0.494 0.000 1.169 153 F CB 0.297 38.803 39.000 -0.822 0.000 1.309 153 F HN 0.205 nan 8.300 nan 0.000 0.537 154 F N 0.325 120.267 119.950 -0.014 0.000 2.091 154 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 154 F C 1.801 177.597 175.800 -0.007 0.000 1.103 154 F CA 1.163 59.168 58.000 0.008 0.000 1.228 154 F CB -1.754 37.299 39.000 0.089 0.000 0.984 154 F HN 0.297 nan 8.300 nan 0.000 0.477 155 F N 0.228 119.737 119.950 -0.735 0.000 2.748 155 F HA 0.267 4.794 4.527 -0.000 0.000 0.299 155 F C 1.372 177.028 175.800 -0.239 0.000 1.154 155 F CA 0.150 57.905 58.000 -0.408 0.000 1.446 155 F CB -1.281 37.355 39.000 -0.607 0.000 1.112 155 F HN -0.067 nan 8.300 nan 0.000 0.584 156 N N 0.615 118.950 118.700 -0.608 0.000 2.412 156 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 156 N C 1.272 176.668 175.510 -0.191 0.000 1.101 156 N CA 0.534 53.363 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 0.592 nan 8.380 nan 0.000 0.459 157 Q N -0.327 119.388 119.800 -0.142 0.000 2.350 157 Q HA 0.155 4.495 4.340 -0.000 0.000 0.225 157 Q C -0.264 175.731 176.000 -0.007 0.000 0.878 157 Q CA 0.631 56.391 55.803 -0.071 0.000 0.935 157 Q CB 0.995 29.696 28.738 -0.060 0.000 1.099 157 Q HN 0.096 nan 8.270 nan 0.000 0.527 158 T N 1.368 115.937 114.554 0.025 0.000 3.071 158 T HA 0.181 4.531 4.350 -0.000 0.000 0.311 158 T C -2.402 172.330 174.700 0.054 0.000 1.042 158 T CA -1.057 61.074 62.100 0.051 0.000 1.028 158 T CB 2.290 71.214 68.868 0.093 0.000 1.068 158 T HN -0.145 nan 8.240 nan 0.000 0.451 159 P HA 0.006 nan 4.420 nan 0.000 0.230 159 P C 1.555 178.877 177.300 0.036 0.000 1.158 159 P CA 0.516 63.613 63.100 -0.006 0.000 0.769 159 P CB -0.109 31.552 31.700 -0.066 0.000 0.807 160 G N 0.125 108.971 108.800 0.076 0.000 2.509 160 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 160 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 160 G C 1.297 176.332 174.900 0.225 0.000 1.124 160 G CA 0.198 45.372 45.100 0.124 0.000 0.776 160 G HN 0.282 nan 8.290 nan 0.000 0.547 161 L N 0.675 122.042 121.223 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 -0.668 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 0.136 nan 8.230 nan 0.000 0.535 162 A N 1.438 124.325 122.820 0.111 0.000 2.600 162 A HA -0.066 4.254 4.320 -0.000 0.000 0.244 162 A C 0.374 177.839 177.584 -0.198 0.000 1.016 162 A CA 0.189 52.202 52.037 -0.039 0.000 0.778 162 A CB -0.014 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 6.063 127.047 121.223 -0.398 0.000 2.477 163 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 163 L C -1.820 174.800 176.870 -0.416 0.000 1.157 163 L CA -1.098 53.417 54.840 -0.542 0.000 0.889 163 L CB 1.093 42.543 42.059 -1.015 0.000 1.158 163 L HN 0.484 nan 8.230 nan 0.000 0.473 164 P HA 0.116 nan 4.420 nan 0.000 0.251 164 P C 0.885 178.092 177.300 -0.155 0.000 1.718 164 P CA -0.344 62.629 63.100 -0.212 0.000 1.119 164 P CB 0.589 32.300 31.700 0.018 0.000 1.762 165 L N 3.356 124.457 121.223 -0.203 0.000 2.042 165 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 165 L C 2.417 179.231 176.870 -0.094 0.000 1.076 165 L CA 1.586 56.341 54.840 -0.142 0.000 0.749 165 L CB -0.734 41.247 42.059 -0.130 0.000 0.893 165 L HN 0.264 nan 8.230 nan 0.000 0.432 166 I N -2.426 118.087 120.570 -0.095 0.000 2.800 166 I HA -0.157 4.013 4.170 -0.000 0.000 0.266 166 I C 2.081 178.197 176.117 -0.002 0.000 1.249 166 I CA 1.212 62.482 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 0.901 123.741 122.820 0.033 0.000 2.343 167 A HA 0.475 4.795 4.320 -0.000 0.000 0.223 167 A C 1.486 179.091 177.584 0.036 0.000 1.214 167 A CA -0.137 51.962 52.037 0.102 0.000 0.900 167 A CB 0.018 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 0.303 121.514 121.223 -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 0.265 42.337 42.059 0.022 0.000 1.432 168 L HN 0.606 nan 8.230 nan 0.000 0.543 169 Q N 0.771 120.418 119.800 -0.254 0.000 2.173 169 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 169 Q C 0.859 176.585 176.000 -0.458 0.000 0.989 169 Q CA 2.253 57.797 55.803 -0.431 0.000 0.872 169 Q CB -0.052 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 -1.422 118.855 120.300 -0.038 0.000 2.485 170 Y HA 0.290 4.840 4.550 -0.000 0.000 0.260 170 Y C -0.133 175.830 175.900 0.105 0.000 1.173 170 Y CA -0.574 57.517 58.100 -0.014 0.000 1.252 170 Y CB 0.492 38.910 38.460 -0.070 0.000 1.123 170 Y HN 0.085 nan 8.280 nan 0.000 0.524 171 H N 1.212 120.330 119.070 0.079 0.000 2.505 171 H HA 0.296 4.852 4.556 -0.000 0.000 0.338 171 H C -0.461 174.868 175.328 0.001 0.000 1.057 171 H CA -1.888 54.190 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 1.307 121.564 120.200 0.096 0.000 2.313 172 E HA 0.425 4.775 4.350 -0.000 0.000 0.276 172 E C -0.749 175.834 176.600 -0.028 0.000 1.031 172 E CA -0.775 55.636 56.400 0.018 0.000 0.857 172 E CB 1.060 30.765 29.700 0.009 0.000 1.040 172 E HN 0.105 nan 8.360 nan 0.000 0.408 173 V N 3.687 123.567 119.914 -0.057 0.000 2.328 173 V HA 0.317 4.437 4.120 -0.000 0.000 0.278 173 V C -0.154 175.873 176.094 -0.112 0.000 1.021 173 V CA -0.668 61.572 62.300 -0.099 0.000 0.838 173 V CB 0.425 32.158 31.823 -0.150 0.000 0.999 173 V HN 0.618 nan 8.190 nan 0.000 0.447 174 K N 4.899 125.225 120.400 -0.123 0.000 2.385 174 K HA 0.782 5.102 4.320 -0.000 0.000 0.248 174 K C -1.398 175.055 176.600 -0.244 0.000 0.955 174 K CA -0.802 55.365 56.287 -0.200 0.000 0.816 174 K CB 2.874 35.215 32.500 -0.265 0.000 1.250 174 K HN 0.424 nan 8.250 nan 0.000 0.434 175 L N 2.483 123.494 121.223 -0.353 0.000 2.362 175 L HA 0.469 4.809 4.340 -0.000 0.000 0.275 175 L C -1.402 175.071 176.870 -0.663 0.000 0.998 175 L CA -0.909 53.657 54.840 -0.457 0.000 0.820 175 L CB 1.085 42.873 42.059 -0.452 0.000 1.270 175 L HN 0.558 nan 8.230 nan 0.000 0.415 176 Y N 2.738 122.738 120.300 -0.499 0.000 2.345 176 Y HA 0.492 5.042 4.550 -0.000 0.000 0.331 176 Y C -0.434 175.249 175.900 -0.362 0.000 0.959 176 Y CA -0.537 57.387 58.100 -0.293 0.000 1.204 176 Y CB 1.178 39.559 38.460 -0.132 0.000 1.135 176 Y HN 0.259 nan 8.280 nan 0.000 0.477 177 F N 0.596 120.633 119.950 0.146 0.000 2.470 177 F HA 0.715 5.242 4.527 -0.000 0.000 0.329 177 F C 0.253 176.120 175.800 0.111 0.000 1.072 177 F CA -1.006 57.063 58.000 0.115 0.000 0.989 177 F CB 1.701 40.759 39.000 0.096 0.000 1.193 177 F HN 0.150 nan 8.300 nan 0.000 0.481 178 T N 3.330 118.053 114.554 0.282 0.000 2.881 178 T HA 0.508 4.858 4.350 -0.000 0.000 0.291 178 T C -0.598 174.199 174.700 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 1.076 177.992 176.870 0.077 0.000 1.070 179 L CA -1.060 53.820 54.840 0.066 0.000 0.805 179 L CB 0.782 42.839 42.059 -0.004 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 1.148 178.817 177.584 0.141 0.000 1.078 180 A CA 0.404 52.482 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 -0.029 115.714 115.700 0.071 0.000 2.475 181 S HA 0.116 4.586 4.470 -0.000 0.000 0.224 181 S C 0.484 175.024 174.600 -0.101 0.000 1.042 181 S CA 0.339 58.578 58.200 0.066 0.000 0.935 181 S CB -0.027 63.189 63.200 0.028 0.000 0.801 181 S HN 0.728 nan 8.310 nan 0.000 0.509 182 Q N 1.035 120.724 119.800 -0.185 0.000 2.310 182 Q HA 0.656 4.996 4.340 -0.000 0.000 0.270 182 Q C -1.894 173.977 176.000 -0.215 0.000 1.025 182 Q CA -0.597 55.010 55.803 -0.326 0.000 0.772 182 Q CB 2.654 30.989 28.738 -0.671 0.000 1.253 182 Q HN 0.165 nan 8.270 nan 0.000 0.450 183 V N 2.540 122.339 119.914 -0.191 0.000 2.409 183 V HA 0.137 4.257 4.120 -0.000 0.000 0.290 183 V C -0.195 175.834 176.094 -0.110 0.000 1.017 183 V CA -0.881 61.334 62.300 -0.141 0.000 0.841 183 V CB 1.486 33.244 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 0.342 28.903 28.738 -0.294 0.000 1.146 184 Q HN 1.387 nan 8.270 nan 0.000 0.383 185 G N 1.827 110.507 108.800 -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 0.304 45.305 45.100 -0.165 0.000 0.641 185 G HN 0.653 nan 8.290 nan 0.000 0.533 186 V N -0.759 119.109 119.914 -0.076 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 -0.077 0.000 1.252 186 V CA 1.572 63.861 62.300 -0.019 0.000 1.279 186 V CB 0.253 32.123 31.823 0.079 0.000 1.118 186 V HN 0.239 nan 8.190 nan 0.000 0.504 187 N N -1.577 117.025 118.700 -0.163 0.000 2.428 187 N HA 0.140 4.880 4.740 -0.000 0.000 0.181 187 N C -0.240 175.122 175.510 -0.248 0.000 1.028 187 N CA 0.700 53.569 53.050 -0.302 0.000 0.877 187 N CB 0.342 38.494 38.487 -0.559 0.000 1.064 187 N HN 0.419 nan 8.380 nan 0.000 0.434 188 Y N -0.823 119.331 120.300 -0.243 0.000 2.633 188 Y HA 0.478 5.028 4.550 -0.000 0.000 0.339 188 Y C -0.576 175.218 175.900 -0.177 0.000 1.045 188 Y CA -1.309 56.680 58.100 -0.184 0.000 1.098 188 Y CB 1.381 39.741 38.460 -0.167 0.000 1.296 188 Y HN -0.156 nan 8.280 nan 0.000 0.494 189 N N 0.631 119.352 118.700 0.034 0.000 2.617 189 N HA 0.465 5.205 4.740 -0.000 0.000 0.263 189 N C 0.090 175.628 175.510 0.048 0.000 1.074 189 N CA 0.678 53.709 53.050 -0.032 0.000 0.841 189 N CB 0.740 39.202 38.487 -0.043 0.000 1.221 189 N HN 0.954 nan 8.380 nan 0.000 0.529 190 G N 2.446 111.272 108.800 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 0.571 175.532 174.900 0.103 0.000 1.153 190 G CA 0.591 45.757 45.100 0.110 0.000 0.968 190 G HN 1.225 nan 8.290 nan 0.000 0.544 191 S N -0.625 115.144 115.700 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 0.979 59.255 58.200 0.128 0.000 0.939 191 S CB 0.571 63.808 63.200 0.062 0.000 0.832 191 S HN 1.152 nan 8.310 nan 0.000 0.486 192 S N 2.746 118.579 115.700 0.220 0.000 2.422 192 S HA 0.704 5.174 4.470 -0.000 0.000 0.298 192 S C 0.425 174.965 174.600 -0.100 0.000 1.118 192 S CA -0.653 57.603 58.200 0.092 0.000 1.083 192 S CB 1.018 64.228 63.200 0.018 0.000 0.971 192 S HN 0.687 nan 8.310 nan 0.000 0.478 193 A N 3.924 126.506 122.820 -0.396 0.000 2.520 193 A HA 0.358 4.678 4.320 -0.000 0.000 0.235 193 A C 0.093 177.368 177.584 -0.516 0.000 1.065 193 A CA -0.067 51.351 52.037 -1.032 0.000 0.764 193 A CB -0.136 18.421 19.000 -0.738 0.000 1.002 193 A HN 0.845 nan 8.150 nan 0.000 0.502 194 I N 1.761 122.029 120.570 -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 -0.288 60.848 61.300 -0.273 0.000 1.191 194 I CB 1.399 39.266 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 1.271 178.808 177.584 -0.078 0.000 1.076 195 A CA 0.684 52.658 52.037 -0.105 0.000 0.773 195 A CB 0.073 19.027 19.000 -0.078 0.000 1.010 195 A HN 1.202 nan 8.150 nan 0.000 0.493 196 G N 0.531 109.298 108.800 -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 0.540 45.620 45.100 -0.032 0.000 0.621 196 G HN 2.363 nan 8.290 nan 0.000 0.524 197 A N 0.564 123.362 122.820 -0.037 0.000 2.583 197 A HA 0.530 4.850 4.320 -0.000 0.000 0.249 197 A C 1.095 178.722 177.584 0.071 0.000 1.035 197 A CA 1.479 53.514 52.037 -0.004 0.000 0.777 197 A CB -0.078 18.882 19.000 -0.068 0.000 0.942 197 A HN 2.184 nan 8.150 nan 0.000 0.516 198 A N 3.816 126.697 122.820 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 0.169 0.000 1.109 198 A CA -0.548 51.553 52.037 0.107 0.000 0.800 198 A CB 0.252 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 2.627 122.480 119.800 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 -0.182 0.000 1.003 199 Q CA -1.467 54.309 55.803 -0.045 0.000 0.888 199 Q CB -0.126 28.581 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 -0.703 176.496 177.300 -0.167 0.000 1.237 200 P CA -0.260 62.632 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 1.929 116.463 114.554 -0.034 0.000 2.823 201 T HA 0.583 4.933 4.350 -0.000 0.000 0.279 201 T C -0.252 174.525 174.700 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 0.422 nan 8.240 nan 0.000 0.448 202 M N 2.730 122.376 119.600 0.076 0.000 2.518 202 M HA 0.722 5.202 4.480 -0.000 0.000 0.300 202 M C -1.275 174.970 176.300 -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 34.674 32.600 0.076 0.000 1.710 202 M HN 0.580 nan 8.290 nan 0.000 0.453 203 S N 2.259 117.861 115.700 -0.165 0.000 2.540 203 S HA 0.792 5.262 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 2.044 65.324 63.200 0.133 0.000 1.081 203 S HN 0.573 nan 8.310 nan 0.000 0.476 204 V N 3.967 123.744 119.914 -0.228 0.000 2.444 204 V HA 0.582 4.702 4.120 -0.000 0.000 0.294 204 V C -1.396 174.569 176.094 -0.216 0.000 1.022 204 V CA -0.484 61.730 62.300 -0.145 0.000 0.850 204 V CB 1.330 33.064 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 0.004 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 3.223 123.293 119.914 0.260 0.000 2.540 206 V HA 0.295 4.415 4.120 -0.000 0.000 0.302 206 V C -0.670 175.487 176.094 0.106 0.000 1.035 206 V CA -0.932 61.426 62.300 0.096 0.000 0.873 206 V CB 1.747 33.511 31.823 -0.099 0.000 0.992 206 V HN 0.324 nan 8.190 nan 0.000 0.428 207 D N 3.283 123.693 120.400 0.017 0.000 2.277 207 D HA 0.456 5.096 4.640 -0.000 0.000 0.249 207 D C -0.810 175.432 176.300 -0.096 0.000 1.134 207 D CA 0.310 54.353 54.000 0.071 0.000 0.863 207 D CB 0.818 41.655 40.800 0.062 0.000 1.143 207 D HN 0.383 nan 8.370 nan 0.000 0.458 208 Y N 1.126 121.416 120.300 -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 -0.183 0.000 1.076 208 Y CA -1.069 56.916 58.100 -0.191 0.000 1.115 208 Y CB 1.072 39.303 38.460 -0.382 0.000 1.235 208 Y HN 0.150 nan 8.280 nan 0.000 0.468 209 I N 2.541 123.031 120.570 -0.134 0.000 2.404 209 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 209 I C -1.191 174.813 176.117 -0.188 0.000 0.992 209 I CA -0.607 60.669 61.300 -0.040 0.000 1.149 209 I CB 0.742 38.671 38.000 -0.118 0.000 1.315 209 I HN 0.288 nan 8.210 nan 0.000 0.446 210 F N 6.142 126.175 119.950 0.138 0.000 2.388 210 F HA 0.533 5.060 4.527 -0.000 0.000 0.358 210 F C -0.021 175.852 175.800 0.121 0.000 1.122 210 F CA -0.531 57.526 58.000 0.094 0.000 1.056 210 F CB 0.786 39.833 39.000 0.078 0.000 1.155 210 F HN 0.126 nan 8.300 nan 0.000 0.461 211 L N 2.118 123.452 121.223 0.186 0.000 2.379 211 L HA 0.391 4.731 4.340 -0.000 0.000 0.269 211 L C -0.027 176.946 176.870 0.172 0.000 1.084 211 L CA -0.822 54.120 54.840 0.171 0.000 0.802 211 L CB 1.017 43.121 42.059 0.075 0.000 1.175 211 L HN 0.469 nan 8.230 nan 0.000 0.448 212 D N -0.133 120.367 120.400 0.166 0.000 2.339 212 D HA 0.076 4.716 4.640 -0.000 0.000 0.245 212 D C 1.055 177.424 176.300 0.114 0.000 1.115 212 D CA -0.054 54.021 54.000 0.125 0.000 0.917 212 D CB 1.480 42.345 40.800 0.109 0.000 1.192 212 D HN 0.518 nan 8.370 nan 0.000 0.428 213 T N 1.141 115.749 114.554 0.089 0.000 2.620 213 T HA -0.314 4.036 4.350 -0.000 0.000 0.267 213 T C 1.539 176.293 174.700 0.090 0.000 1.044 213 T CA 2.097 64.246 62.100 0.082 0.000 1.161 213 T CB -0.402 68.502 68.868 0.059 0.000 0.862 213 T HN 0.478 nan 8.240 nan 0.000 0.438 214 Q N 1.026 120.877 119.800 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 2.645 58.498 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 -0.905 119.385 120.200 0.150 0.000 2.204 215 E HA -0.192 4.158 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 0.614 57.150 56.400 0.227 0.000 0.824 215 E CB -0.067 29.793 29.700 0.267 0.000 0.756 215 E HN 0.278 nan 8.360 nan 0.000 0.477 216 R N -0.310 120.321 120.500 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 0.201 0.000 1.134 216 R CA 1.952 58.166 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 0.290 114.933 114.554 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 1.639 63.807 62.100 0.114 0.000 1.148 217 T CB -0.242 68.674 68.868 0.079 0.000 0.863 217 T HN 0.329 nan 8.240 nan 0.000 0.436 218 R N -0.235 120.343 120.500 0.131 0.000 2.105 218 R HA -0.074 4.266 4.340 -0.000 0.000 0.239 218 R C 2.093 178.469 176.300 0.127 0.000 1.135 218 R CA 1.449 57.599 56.100 0.084 0.000 0.967 218 R CB -0.464 29.865 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 0.021 4.548 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 1.228 59.371 58.000 0.238 0.000 1.358 219 F CB 0.087 39.131 39.000 0.074 0.000 1.040 219 F HN 0.168 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 1.668 179.318 177.584 0.111 0.000 1.201 220 A CA 0.358 52.510 52.037 0.191 0.000 0.843 220 A CB -0.057 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 0.080 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 0.354 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 2.974 124.114 121.223 -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 -0.303 0.000 1.146 222 L HN -0.151 nan 8.230 nan 0.000 0.451 223 P HA 0.230 nan 4.420 nan 0.000 0.274 223 P C -1.102 175.862 177.300 -0.560 0.000 1.231 223 P CA -0.091 62.792 63.100 -0.361 0.000 0.790 223 P CB 0.634 32.228 31.700 -0.177 0.000 0.951 224 H N 0.367 119.413 119.070 -0.041 0.000 2.865 224 H HA 0.479 5.035 4.556 -0.000 0.000 0.372 224 H C -0.529 174.738 175.328 -0.103 0.000 1.173 224 H CA -0.438 55.541 56.048 -0.115 0.000 1.147 224 H CB 2.146 31.879 29.762 -0.047 0.000 1.805 224 H HN 0.449 nan 8.280 nan 0.000 0.553 225 E N 1.391 121.523 120.200 -0.115 0.000 2.275 225 E HA 0.300 4.650 4.350 -0.000 0.000 0.270 225 E C -1.381 175.060 176.600 -0.266 0.000 0.882 225 E CA -0.553 55.796 56.400 -0.085 0.000 0.758 225 E CB 2.441 32.105 29.700 -0.061 0.000 1.195 225 E HN 0.384 nan 8.360 nan 0.000 0.419 226 Y N 1.561 121.871 120.300 0.017 0.000 2.350 226 Y HA 0.248 4.798 4.550 -0.000 0.000 0.338 226 Y C -0.251 175.628 175.900 -0.034 0.000 0.961 226 Y CA -0.893 57.207 58.100 -0.000 0.000 1.100 226 Y CB 1.445 39.897 38.460 -0.014 0.000 1.179 226 Y HN 0.310 nan 8.280 nan 0.000 0.454 227 L N 7.083 128.378 121.223 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 -0.517 41.543 42.059 0.002 0.000 1.219 227 L HN 0.635 nan 8.230 nan 0.000 0.439 228 I N 2.485 123.088 120.570 0.054 0.000 3.100 228 I HA 0.588 4.758 4.170 -0.000 0.000 0.312 228 I C -0.479 175.684 176.117 0.076 0.000 1.063 228 I CA -0.790 60.495 61.300 -0.025 0.000 1.031 228 I CB 1.787 39.385 38.000 -0.669 0.000 1.243 228 I HN 0.499 nan 8.210 nan 0.000 0.483 229 E N 1.284 121.515 120.200 0.052 0.000 2.221 229 E HA 0.595 4.945 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 -0.699 55.667 56.400 -0.058 0.000 0.809 229 E CB 2.231 31.846 29.700 -0.141 0.000 1.190 229 E HN 0.547 nan 8.360 nan 0.000 0.406 230 Q N 0.848 120.615 119.800 -0.054 0.000 2.484 230 Q HA 0.487 4.827 4.340 -0.000 0.000 0.285 230 Q C -1.392 174.568 176.000 -0.066 0.000 1.097 230 Q CA -0.968 54.846 55.803 0.017 0.000 0.802 230 Q CB 2.362 31.099 28.738 -0.002 0.000 1.444 230 Q HN 0.249 nan 8.270 nan 0.000 0.429 231 L N 1.309 122.527 121.223 -0.009 0.000 2.334 231 L HA 0.513 4.853 4.340 -0.000 0.000 0.276 231 L C -1.373 175.479 176.870 -0.030 0.000 1.014 231 L CA -0.231 54.495 54.840 -0.190 0.000 0.815 231 L CB 1.734 43.568 42.059 -0.375 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 -1.782 174.327 176.000 0.183 0.000 1.058 232 Q CA -0.510 55.328 55.803 0.057 0.000 0.802 232 Q CB 3.161 31.859 28.738 -0.067 0.000 1.303 232 Q HN 0.520 nan 8.270 nan 0.000 0.444 233 F N 0.541 120.544 119.950 0.088 0.000 2.588 233 F HA 0.651 5.178 4.527 -0.000 0.000 0.310 233 F C -1.420 174.336 175.800 -0.073 0.000 1.082 233 F CA -0.408 57.535 58.000 -0.095 0.000 0.929 233 F CB 2.348 41.190 39.000 -0.263 0.000 1.254 233 F HN 0.356 nan 8.300 nan 0.000 0.455 234 T N 3.701 117.521 114.554 -1.224 0.000 3.143 234 T HA 0.542 4.892 4.350 -0.000 0.000 0.312 234 T C -0.416 173.595 174.700 -1.148 0.000 0.986 234 T CA -0.590 60.831 62.100 -1.131 0.000 1.024 234 T CB 1.206 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 1.970 110.103 108.800 -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 0.806 116.456 115.700 -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 1.434 121.647 120.200 0.022 0.000 2.197 237 E HA 0.405 4.755 4.350 -0.000 0.000 0.281 237 E C -0.486 176.159 176.600 0.074 0.000 0.995 237 E CA -0.474 55.956 56.400 0.050 0.000 0.808 237 E CB 1.038 30.754 29.700 0.027 0.000 1.093 237 E HN 0.455 nan 8.360 nan 0.000 0.394 238 T N 1.208 115.825 114.554 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 -0.681 61.481 62.100 0.104 0.000 1.021 238 T CB 1.314 70.266 68.868 0.140 0.000 1.013 238 T HN 0.574 nan 8.240 nan 0.000 0.527 239 A N 0.856 123.563 122.820 -0.188 0.000 2.710 239 A HA 0.747 5.067 4.320 -0.000 0.000 0.253 239 A C 1.298 178.681 177.584 -0.335 0.000 1.658 239 A CA 0.356 52.268 52.037 -0.209 0.000 0.851 239 A CB -0.191 18.724 19.000 -0.143 0.000 1.658 239 A HN 1.009 nan 8.150 nan 0.000 0.585 240 T N -5.099 109.290 114.554 -0.275 0.000 3.769 240 T HA 0.309 4.659 4.350 -0.000 0.000 0.271 240 T C -2.201 172.412 174.700 -0.145 0.000 0.931 240 T CA 0.256 62.221 62.100 -0.224 0.000 1.159 240 T CB -1.720 67.077 68.868 -0.120 0.000 1.083 240 T HN 0.529 nan 8.240 nan 0.000 0.418 241 P HA -0.061 nan 4.420 nan 0.000 0.281 241 P C -0.141 177.147 177.300 -0.021 0.000 1.391 241 P CA 1.245 64.324 63.100 -0.035 0.000 1.004 241 P CB 0.150 31.841 31.700 -0.014 0.000 0.692 242 S N 0.176 115.871 115.700 -0.008 0.000 2.998 242 S HA 0.807 5.277 4.470 -0.000 0.000 0.321 242 S C 0.564 175.167 174.600 0.004 0.000 1.171 242 S CA 0.596 58.796 58.200 -0.000 0.000 0.882 242 S CB 1.050 64.248 63.200 -0.004 0.000 1.301 242 S HN 0.876 nan 8.310 nan 0.000 0.629 243 A N 1.166 123.989 122.820 0.005 0.000 5.149 243 A HA -0.273 4.047 4.320 -0.000 0.000 0.344 243 A C 1.387 178.976 177.584 0.009 0.000 1.715 243 A CA 2.984 55.024 52.037 0.006 0.000 0.700 243 A CB -3.068 15.934 19.000 0.004 0.000 1.461 243 A HN 2.395 nan 8.150 nan 0.000 0.399 244 T N -1.056 113.503 114.554 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 0.991 63.098 62.100 0.011 0.000 0.928 244 T CB -1.020 67.853 68.868 0.009 0.000 1.134 244 T HN 0.880 nan 8.240 nan 0.000 0.627 245 T N 1.990 116.555 114.554 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 0.453 nan 8.240 nan 0.000 0.310 246 Q N -0.524 119.310 119.800 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 0.076 0.000 1.353 246 Q CA 0.588 56.427 55.803 0.060 0.000 0.828 246 Q CB -2.182 26.577 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 0.619 178.325 177.584 0.204 0.000 1.074 247 A CA 0.661 52.783 52.037 0.141 0.000 0.774 247 A CB 0.566 19.642 19.000 0.126 0.000 1.015 247 A HN 0.685 nan 8.150 nan 0.000 0.498 248 A N 0.244 123.155 122.820 0.153 0.000 2.437 248 A HA 0.865 5.185 4.320 -0.000 0.000 0.292 248 A C -0.420 177.251 177.584 0.144 0.000 1.173 248 A CA -0.280 51.821 52.037 0.108 0.000 0.785 248 A CB 1.535 20.556 19.000 0.036 0.000 1.351 248 A HN 1.349 nan 8.150 nan 0.000 0.431 249 Q N 0.200 120.047 119.800 0.078 0.000 2.766 249 Q HA 0.213 4.553 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 0.997 29.862 28.738 0.212 0.000 1.804 249 Q HN 0.785 nan 8.270 nan 0.000 0.464 250 N N 3.570 122.258 118.700 -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 52.657 53.050 -0.064 0.000 0.857 250 N CB 1.484 39.931 38.487 -0.066 0.000 1.256 250 N HN 0.464 nan 8.380 nan 0.000 0.484 251 I N 1.662 122.166 120.570 -0.110 0.000 2.378 251 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 251 I C 0.481 176.509 176.117 -0.148 0.000 0.992 251 I CA -0.658 60.566 61.300 -0.128 0.000 1.154 251 I CB 1.175 39.081 38.000 -0.156 0.000 1.315 251 I HN 0.207 nan 8.210 nan 0.000 0.448 252 R N 6.244 126.659 120.500 -0.142 0.000 2.370 252 R HA 0.376 4.716 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 0.116 56.128 56.100 -0.145 0.000 0.981 252 R CB 0.032 30.258 30.300 -0.124 0.000 0.972 252 R HN 0.595 nan 8.270 nan 0.000 0.437 253 L N 4.796 125.891 121.223 -0.213 0.000 2.261 253 L HA 0.299 4.639 4.340 -0.000 0.000 0.289 253 L C 0.358 176.991 176.870 -0.395 0.000 1.059 253 L CA -0.349 54.257 54.840 -0.391 0.000 0.816 253 L CB 0.843 42.790 42.059 -0.187 0.000 1.191 253 L HN 0.588 nan 8.230 nan 0.000 0.431 254 N N 5.150 123.504 118.700 -0.577 0.000 2.801 254 N HA 0.337 5.077 4.740 -0.000 0.000 0.235 254 N C -1.140 174.143 175.510 -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 38.539 38.487 -0.244 0.000 1.212 254 N HN 0.317 nan 8.380 nan 0.000 0.509 255 F N 0.590 120.524 119.950 -0.027 0.000 2.618 255 F HA 0.502 5.029 4.527 -0.000 0.000 0.332 255 F C 0.608 176.394 175.800 -0.023 0.000 1.061 255 F CA -1.104 56.816 58.000 -0.133 0.000 0.974 255 F CB 1.817 40.517 39.000 -0.500 0.000 1.310 255 F HN 0.142 nan 8.300 nan 0.000 0.491 256 N N -0.772 118.008 118.700 0.132 0.000 2.697 256 N HA 0.416 5.156 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 -0.660 52.347 53.050 -0.073 0.000 0.797 256 N CB 1.534 39.778 38.487 -0.407 0.000 1.523 256 N HN 0.636 nan 8.380 nan 0.000 0.518 257 H N -2.443 116.690 119.070 0.106 0.000 4.716 257 H HA -0.101 4.455 4.556 -0.000 0.000 0.254 257 H C -2.749 172.625 175.328 0.078 0.000 0.526 257 H CA -0.020 56.056 56.048 0.046 0.000 0.674 257 H CB -1.849 27.928 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 -0.325 177.076 177.300 0.168 0.000 1.229 258 P CA 0.636 63.829 63.100 0.155 0.000 0.780 258 P CB 0.409 32.196 31.700 0.146 0.000 0.808 259 T N 3.995 118.638 114.554 0.148 0.000 2.794 259 T HA 0.199 4.549 4.350 -0.000 0.000 0.280 259 T C 1.250 176.066 174.700 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 1.742 122.197 120.400 0.092 0.000 2.076 260 K HA 0.084 4.404 4.320 -0.000 0.000 0.204 260 K C 0.088 176.981 176.600 0.487 0.000 1.051 260 K CA 1.040 57.476 56.287 0.248 0.000 0.949 260 K CB 0.074 32.620 32.500 0.078 0.000 0.726 260 K HN 0.767 nan 8.250 nan 0.000 0.443 261 Y N -2.186 118.333 120.300 0.364 0.000 2.779 261 Y HA 0.504 5.053 4.550 -0.000 0.000 0.340 261 Y C -1.786 174.301 175.900 0.311 0.000 1.252 261 Y CA -1.721 56.577 58.100 0.329 0.000 1.072 261 Y CB 0.886 39.478 38.460 0.221 0.000 1.343 261 Y HN -0.297 nan 8.280 nan 0.000 0.450 262 L N 2.027 123.641 121.223 0.652 0.000 2.365 262 L HA 0.976 5.316 4.340 -0.000 0.000 0.273 262 L C -0.683 176.651 176.870 0.773 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 2.714 125.984 122.820 0.750 0.000 2.422 263 A HA 0.836 5.156 4.320 -0.000 0.000 0.302 263 A C -1.851 176.166 177.584 0.722 0.000 1.041 263 A CA -0.398 51.992 52.037 0.588 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 2.166 123.631 121.300 0.276 0.000 3.137 264 W HA 0.735 5.395 4.660 -0.000 0.000 0.324 264 W C -1.038 175.533 176.519 0.088 0.000 1.253 264 W CA -0.480 56.973 57.345 0.179 0.000 1.183 264 W CB 0.993 30.474 29.460 0.035 0.000 1.424 264 W HN 0.918 nan 8.180 nan 0.000 0.566 265 N N 0.159 118.926 118.700 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 -0.897 52.126 53.050 -0.045 0.000 0.819 265 N CB 2.294 40.502 38.487 -0.465 0.000 1.521 265 N HN 0.381 nan 8.380 nan 0.000 0.497 266 F N 1.019 121.144 119.950 0.292 0.000 2.445 266 F HA 0.402 4.929 4.527 -0.000 0.000 0.348 266 F C 0.131 176.127 175.800 0.325 0.000 1.125 266 F CA -0.793 57.391 58.000 0.307 0.000 0.983 266 F CB 1.244 40.431 39.000 0.312 0.000 1.198 266 F HN 0.490 nan 8.300 nan 0.000 0.436 267 N N 2.255 121.224 118.700 0.449 0.000 2.265 267 N HA 0.215 4.955 4.740 -0.000 0.000 0.300 267 N C -1.521 174.123 175.510 0.224 0.000 1.148 267 N CA -0.754 52.515 53.050 0.365 0.000 0.772 267 N CB 2.011 40.721 38.487 0.371 0.000 1.434 267 N HN 0.698 nan 8.380 nan 0.000 0.481 268 N N 1.512 120.300 118.700 0.147 0.000 2.415 268 N HA 0.162 4.902 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 51.414 53.050 0.104 0.000 0.942 268 N CB 0.923 39.451 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 1.302 64.465 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 -1.079 113.521 114.554 0.078 0.000 2.684 270 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 270 T C 0.818 175.580 174.700 0.104 0.000 1.036 270 T CA 1.252 63.395 62.100 0.073 0.000 1.148 270 T CB -0.618 68.287 68.868 0.062 0.000 0.863 270 T HN 0.142 nan 8.240 nan 0.000 0.436 271 N N 0.756 119.522 118.700 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 0.154 0.000 0.974 271 N CA -0.456 52.688 53.050 0.156 0.000 0.933 271 N CB 1.262 39.816 38.487 0.112 0.000 1.137 271 N HN 0.083 nan 8.380 nan 0.000 0.498 272 Y N 3.289 123.651 120.300 0.102 0.000 1.876 272 Y HA -0.336 4.214 4.550 -0.000 0.000 0.218 272 Y C 1.785 177.705 175.900 0.033 0.000 1.157 272 Y CA 2.589 60.752 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 0.057 108.687 108.800 -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 -0.087 174.382 174.900 -0.717 0.000 1.134 273 G CA -0.159 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 0.532 120.103 119.800 -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 55.598 55.803 -0.231 0.000 0.905 274 Q CB 0.220 28.905 28.738 -0.087 0.000 1.280 274 Q HN 0.654 nan 8.270 nan 0.000 0.426 275 Y N 1.739 122.052 120.300 0.023 0.000 2.467 275 Y HA 0.171 4.721 4.550 -0.000 0.000 0.250 275 Y C 0.847 176.797 175.900 0.083 0.000 1.155 275 Y CA -0.475 57.668 58.100 0.072 0.000 1.249 275 Y CB 1.613 40.089 38.460 0.026 0.000 1.146 275 Y HN 0.431 nan 8.280 nan 0.000 0.524 276 T N 0.033 114.685 114.554 0.163 0.000 2.901 276 T HA 0.730 5.080 4.350 -0.000 0.000 0.293 276 T C -0.837 173.895 174.700 0.052 0.000 1.084 276 T CA -0.646 61.515 62.100 0.102 0.000 1.008 276 T CB 1.192 70.092 68.868 0.054 0.000 1.170 276 T HN 0.104 nan 8.240 nan 0.000 0.509 277 A N 2.651 125.495 122.820 0.040 0.000 2.425 277 A HA 0.621 4.941 4.320 -0.000 0.000 0.249 277 A C 0.018 177.597 177.584 -0.009 0.000 1.084 277 A CA -0.332 51.715 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 1.293 122.502 121.223 -0.023 0.000 2.397 278 L HA 0.542 4.882 4.340 -0.000 0.000 0.271 278 L C 0.622 177.473 176.870 -0.033 0.000 1.148 278 L CA 0.025 54.838 54.840 -0.045 0.000 0.825 278 L CB 0.967 42.988 42.059 -0.062 0.000 1.117 278 L HN 0.867 nan 8.230 nan 0.000 0.456 279 A N 2.193 124.991 122.820 -0.036 0.000 2.602 279 A HA 0.418 4.738 4.320 -0.000 0.000 0.290 279 A C -0.736 176.832 177.584 -0.027 0.000 1.114 279 A CA -0.686 51.336 52.037 -0.025 0.000 0.683 279 A CB 1.268 20.260 19.000 -0.014 0.000 1.281 279 A HN 0.601 nan 8.150 nan 0.000 0.416 280 N N 0.584 119.272 118.700 -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 0.363 53.402 53.050 -0.018 0.000 1.212 280 N CB -0.806 37.672 38.487 -0.014 0.000 1.478 280 N HN 0.489 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 -2.197 173.913 176.117 -0.011 0.000 1.078 281 I CA -2.652 58.643 61.300 -0.009 0.000 1.048 281 I CB 2.548 40.545 38.000 -0.004 0.000 1.239 281 I HN 0.053 nan 8.210 nan 0.000 0.421 282 P HA -0.040 nan 4.420 nan 0.000 0.257 282 P C 0.693 177.990 177.300 -0.006 0.000 1.162 282 P CA 1.139 64.237 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 3.135 111.927 108.800 -0.015 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 0.892 175.762 174.900 -0.050 0.000 0.975 283 G CA 0.333 45.420 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 1.331 178.863 177.584 -0.088 0.000 1.188 284 A CA 1.838 53.836 52.037 -0.064 0.000 0.863 284 A CB -0.119 18.857 19.000 -0.040 0.000 0.893 284 A HN 2.173 nan 8.150 nan 0.000 0.495 285 C N -3.242 116.004 119.300 -0.091 0.000 3.312 285 C HA 0.686 5.146 4.460 -0.000 0.000 0.332 285 C C 0.184 175.108 174.990 -0.111 0.000 1.340 285 C CA -0.387 58.564 59.018 -0.113 0.000 1.265 285 C CB 0.624 28.317 27.740 -0.079 0.000 1.563 285 C HN 0.363 nan 8.230 nan 0.000 0.471 286 S N 0.676 116.296 115.700 -0.133 0.000 2.555 286 S HA 0.410 4.880 4.470 -0.000 0.000 0.293 286 S C 1.407 175.975 174.600 -0.052 0.000 1.248 286 S CA 1.678 59.819 58.200 -0.100 0.000 1.096 286 S CB -0.876 62.268 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 -0.140 3.820 3.960 -0.000 0.000 0.273 287 G HA3 -0.140 3.820 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 0.158 45.246 45.100 -0.020 0.000 0.824 287 G HN 1.471 nan 8.290 nan 0.000 0.504 288 A N -0.738 122.066 122.820 -0.027 0.000 2.547 288 A HA 0.628 4.948 4.320 -0.000 0.000 0.233 288 A C 2.146 179.722 177.584 -0.013 0.000 1.067 288 A CA 1.581 53.604 52.037 -0.023 0.000 0.763 288 A CB -0.136 18.848 19.000 -0.026 0.000 1.007 288 A HN 2.405 nan 8.150 nan 0.000 0.506 289 G N 0.297 109.091 108.800 -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 1.113 46.209 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 1.545 176.241 174.700 -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 0.887 nan 8.240 nan 0.000 0.533 291 A N 0.325 123.143 122.820 -0.004 0.000 2.066 291 A HA 0.319 4.639 4.320 -0.000 0.000 0.218 291 A C 2.037 179.618 177.584 -0.004 0.000 1.157 291 A CA 1.562 53.597 52.037 -0.004 0.000 0.670 291 A CB -0.684 18.315 19.000 -0.002 0.000 0.804 291 A HN 0.803 nan 8.150 nan 0.000 0.453 292 A N -0.561 122.256 122.820 -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 -0.809 18.189 19.000 -0.003 0.000 0.834 292 A HN 1.004 nan 8.150 nan 0.000 0.482 293 A N 0.259 123.072 122.820 -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 1.084 53.110 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 0.380 114.917 114.554 -0.028 0.000 2.598 294 T HA 0.615 4.965 4.350 -0.000 0.000 0.254 294 T C 0.365 175.044 174.700 -0.035 0.000 0.889 294 T CA 0.173 62.257 62.100 -0.028 0.000 1.091 294 T CB 1.312 70.162 68.868 -0.030 0.000 1.437 294 T HN 0.818 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 1.370 177.441 176.094 -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 0.303 69.165 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 2.479 71.290 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 0.849 32.279 31.700 -0.450 0.000 1.063 299 D N 0.504 120.685 120.400 -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 -0.521 53.341 54.000 -0.230 0.000 1.010 299 D CB -0.860 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 1.659 121.922 120.300 -0.061 0.000 2.024 300 Y HA -0.366 4.184 4.550 -0.000 0.000 0.257 300 Y C 2.647 178.507 175.900 -0.066 0.000 1.233 300 Y CA 1.685 59.745 58.100 -0.067 0.000 1.087 300 Y CB -0.825 37.651 38.460 0.027 0.000 0.905 300 Y HN 0.452 nan 8.280 nan 0.000 0.503 301 G N -0.631 108.295 108.800 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 0.855 175.850 174.900 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 -0.256 118.443 118.700 -0.000 0.000 2.599 302 N HA 0.108 4.848 4.740 -0.000 0.000 0.309 302 N C 1.054 176.448 175.510 -0.193 0.000 1.743 302 N CA -0.046 52.985 53.050 -0.032 0.000 0.918 302 N CB 0.743 39.233 38.487 0.005 0.000 1.339 302 N HN -0.028 nan 8.380 nan 0.000 0.493 303 T N -0.693 113.551 114.554 -0.517 0.000 2.759 303 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 303 T C 1.258 175.771 174.700 -0.313 0.000 1.042 303 T CA 1.158 62.903 62.100 -0.591 0.000 1.140 303 T CB -0.057 68.102 68.868 -1.182 0.000 0.864 303 T HN 0.369 nan 8.240 nan 0.000 0.455 304 G N 0.517 109.220 108.800 -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 -1.104 113.319 114.554 -0.218 0.000 2.821 305 T HA 0.306 4.656 4.350 -0.000 0.000 0.306 305 T C -0.466 174.010 174.700 -0.375 0.000 1.313 305 T CA -0.390 61.581 62.100 -0.215 0.000 1.012 305 T CB 1.498 70.319 68.868 -0.079 0.000 1.298 305 T HN 0.428 nan 8.240 nan 0.000 0.502 306 Y N -0.137 120.168 120.300 0.007 0.000 2.442 306 Y HA 0.313 4.863 4.550 -0.000 0.000 0.250 306 Y C 1.428 177.325 175.900 -0.007 0.000 1.113 306 Y CA -0.621 57.474 58.100 -0.009 0.000 1.273 306 Y CB 0.558 39.011 38.460 -0.011 0.000 1.138 306 Y HN 0.445 nan 8.280 nan 0.000 0.522 307 N N 2.222 120.986 118.700 0.107 0.000 2.406 307 N HA -0.097 4.643 4.740 -0.000 0.000 0.274 307 N C 1.158 176.702 175.510 0.056 0.000 1.249 307 N CA 0.370 53.464 53.050 0.073 0.000 0.951 307 N CB 0.594 39.111 38.487 0.052 0.000 1.241 307 N HN 0.214 nan 8.380 nan 0.000 0.485 308 E N 2.848 123.086 120.200 0.064 0.000 2.267 308 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 308 E C 1.285 177.927 176.600 0.070 0.000 0.998 308 E CA 1.308 57.751 56.400 0.070 0.000 0.830 308 E CB 0.034 29.780 29.700 0.077 0.000 0.751 308 E HN 0.680 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 -0.005 4.335 4.340 -0.000 0.000 0.206 309 Q C 1.313 177.340 176.000 0.045 0.000 0.976 309 Q CA 1.096 56.927 55.803 0.047 0.000 0.875 309 Q CB -0.033 28.726 28.738 0.036 0.000 0.927 309 Q HN 0.438 nan 8.270 nan 0.000 0.450 310 L N -0.328 120.922 121.223 0.044 0.000 2.628 310 L HA 0.421 4.761 4.340 -0.000 0.000 0.229 310 L C 0.143 177.048 176.870 0.058 0.000 1.137 310 L CA -0.286 54.578 54.840 0.039 0.000 0.909 310 L CB 0.154 42.228 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 1.205 20.314 19.000 0.182 0.000 1.197 311 A HN -0.003 nan 8.150 nan 0.000 0.484 312 V N 1.172 121.120 119.914 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 -0.160 62.139 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 2.057 nan 8.190 nan 0.000 0.396 313 L N 0.165 121.326 121.223 -0.103 0.000 3.040 313 L HA -0.148 4.192 4.340 -0.000 0.000 0.594 313 L C 0.374 177.211 176.870 -0.055 0.000 1.002 313 L CA 1.397 56.099 54.840 -0.230 0.000 1.305 313 L CB -1.370 40.507 42.059 -0.303 0.000 1.539 313 L HN 1.110 nan 8.230 nan 0.000 0.746 314 D N 1.022 121.389 120.400 -0.055 0.000 2.201 314 D HA 0.180 4.820 4.640 -0.000 0.000 0.209 314 D C 0.780 177.117 176.300 0.061 0.000 0.961 314 D CA 1.317 55.331 54.000 0.024 0.000 0.861 314 D CB 0.433 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 -1.607 114.108 115.700 0.025 0.000 2.671 315 S HA 0.860 5.330 4.470 -0.000 0.000 0.277 315 S C -1.145 173.498 174.600 0.073 0.000 1.165 315 S CA -0.255 58.011 58.200 0.110 0.000 0.822 315 S CB 1.899 65.146 63.200 0.078 0.000 1.150 315 S HN 0.437 nan 8.310 nan 0.000 0.479 316 A N 0.573 123.511 122.820 0.196 0.000 2.583 316 A HA 0.824 5.144 4.320 -0.000 0.000 0.292 316 A C -1.526 176.191 177.584 0.222 0.000 1.045 316 A CA -0.743 51.331 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 1.482 nan 8.150 nan 0.000 0.419 317 K N 0.601 120.985 120.400 -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 -0.224 0.000 0.868 317 K CB 1.465 33.814 32.500 -0.251 0.000 1.457 317 K HN 0.559 nan 8.250 nan 0.000 0.426 318 I N 0.984 121.037 120.570 -0.861 0.000 2.562 318 I HA 0.317 4.487 4.170 -0.000 0.000 0.301 318 I C -0.854 175.009 176.117 -0.423 0.000 1.003 318 I CA -0.893 60.113 61.300 -0.490 0.000 1.127 318 I CB 2.235 40.058 38.000 -0.295 0.000 1.304 318 I HN 0.635 nan 8.210 nan 0.000 0.446 319 Q N 5.292 124.958 119.800 -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 55.085 55.803 -0.171 0.000 0.781 319 Q CB 2.167 30.814 28.738 -0.151 0.000 1.261 319 Q HN 0.542 nan 8.270 nan 0.000 0.444 320 L N 3.961 125.123 121.223 -0.100 0.000 2.296 320 L HA 0.454 4.794 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 -0.913 53.867 54.840 -0.099 0.000 0.812 320 L CB 1.332 43.329 42.059 -0.103 0.000 1.223 320 L HN 0.807 nan 8.230 nan 0.000 0.421 321 N N 3.272 121.923 118.700 -0.082 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 -0.059 0.000 0.993 321 N CA 1.178 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 -1.073 107.689 108.800 -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 0.865 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 -0.053 119.706 119.800 -0.067 0.000 2.377 323 Q HA 0.487 4.827 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 -1.112 54.652 55.803 -0.064 0.000 0.820 323 Q CB 1.469 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 1.575 121.919 120.400 -0.093 0.000 2.382 324 D HA -0.013 4.627 4.640 -0.000 0.000 0.259 324 D C 0.799 177.024 176.300 -0.125 0.000 1.224 324 D CA 0.195 54.108 54.000 -0.145 0.000 0.894 324 D CB 0.828 41.562 40.800 -0.111 0.000 1.127 324 D HN 0.346 nan 8.370 nan 0.000 0.487 325 R N 3.011 123.385 120.500 -0.209 0.000 2.189 325 R HA 0.043 4.383 4.340 -0.000 0.000 0.218 325 R C -0.343 176.009 176.300 0.087 0.000 1.074 325 R CA 0.898 56.966 56.100 -0.053 0.000 0.991 325 R CB -0.279 30.006 30.300 -0.024 0.000 0.883 325 R HN 0.539 nan 8.270 nan 0.000 0.457 326 F N -5.020 114.940 119.950 0.016 0.000 2.769 326 F HA 0.632 5.159 4.527 -0.000 0.000 0.313 326 F C -1.098 174.700 175.800 -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 1.205 124.193 122.820 0.281 0.000 2.425 327 A HA 0.523 4.843 4.320 -0.000 0.000 0.242 327 A C 0.214 177.951 177.584 0.255 0.000 1.077 327 A CA 0.073 52.206 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 3.533 118.168 114.554 0.136 0.000 2.928 328 T HA 0.325 4.675 4.350 -0.000 0.000 0.305 328 T C 0.172 174.947 174.700 0.123 0.000 1.035 328 T CA 0.338 62.539 62.100 0.169 0.000 1.145 328 T CB -0.088 68.831 68.868 0.084 0.000 0.963 328 T HN 0.594 nan 8.240 nan 0.000 0.545 329 R N 2.266 122.884 120.500 0.196 0.000 2.744 329 R HA 0.404 4.744 4.340 -0.000 0.000 0.279 329 R C -0.344 176.103 176.300 0.244 0.000 0.977 329 R CA -1.170 54.925 56.100 -0.008 0.000 0.906 329 R CB 1.039 30.980 30.300 -0.598 0.000 1.197 329 R HN 0.443 nan 8.270 nan 0.000 0.463 330 K N 0.504 121.005 120.400 0.169 0.000 2.344 330 K HA 0.037 4.357 4.320 -0.000 0.000 0.260 330 K C 1.528 178.379 176.600 0.417 0.000 0.988 330 K CA 0.392 56.819 56.287 0.234 0.000 0.909 330 K CB 0.260 32.853 32.500 0.156 0.000 0.968 330 K HN 0.891 nan 8.250 nan 0.000 0.505 331 G N 0.549 109.574 108.800 0.375 0.000 2.470 331 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 331 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 331 G C 1.445 176.692 174.900 0.578 0.000 1.121 331 G CA 1.025 46.419 45.100 0.490 0.000 0.766 331 G HN 0.609 nan 8.290 nan 0.000 0.553 332 S N -0.317 115.600 115.700 0.361 0.000 2.423 332 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 332 S C 2.076 176.782 174.600 0.176 0.000 1.014 332 S CA 1.094 59.437 58.200 0.240 0.000 0.965 332 S CB -0.560 62.729 63.200 0.149 0.000 0.785 332 S HN 0.514 nan 8.310 nan 0.000 0.495 333 Y N 2.243 122.571 120.300 0.048 0.000 2.181 333 Y HA -0.035 4.515 4.550 -0.000 0.000 0.288 333 Y C 1.459 177.250 175.900 -0.181 0.000 1.146 333 Y CA 1.213 59.220 58.100 -0.155 0.000 1.164 333 Y CB -0.593 37.646 38.460 -0.368 0.000 0.982 333 Y HN 0.255 nan 8.280 nan 0.000 0.515 334 F N 0.016 119.958 119.950 -0.013 0.000 2.710 334 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 334 F C 2.347 178.061 175.800 -0.144 0.000 1.137 334 F CA 0.994 58.930 58.000 -0.107 0.000 1.444 334 F CB -0.467 38.654 39.000 0.201 0.000 1.111 334 F HN 0.235 nan 8.300 nan 0.000 0.580 335 N N 0.400 119.153 118.700 0.088 0.000 2.402 335 N HA -0.049 4.691 4.740 -0.000 0.000 0.174 335 N C 1.449 176.878 175.510 -0.134 0.000 1.027 335 N CA 0.741 53.723 53.050 -0.114 0.000 0.891 335 N CB 0.328 38.736 38.487 -0.130 0.000 1.016 335 N HN 0.281 nan 8.380 nan 0.000 0.439 336 K N -0.132 120.200 120.400 -0.112 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 -0.123 nan 8.250 nan 0.000 0.472 337 V N 2.138 121.918 119.914 -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 1.584 63.743 62.300 -0.235 0.000 1.014 337 V CB -0.479 31.187 31.823 -0.262 0.000 0.645 337 V HN 0.292 nan 8.190 nan 0.000 0.447 338 Q N -0.450 119.021 119.800 -0.548 0.000 2.112 338 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 338 Q C 0.328 176.173 176.000 -0.258 0.000 0.987 338 Q CA 2.329 57.883 55.803 -0.414 0.000 0.858 338 Q CB -1.678 26.817 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 0.964 178.175 177.300 -0.149 0.000 1.156 339 P CA 0.776 63.735 63.100 -0.236 0.000 0.787 339 P CB -0.223 31.323 31.700 -0.257 0.000 0.802 340 Y N 1.000 121.180 120.300 -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 1.551 59.562 58.100 -0.148 0.000 1.161 340 Y CB -0.571 37.812 38.460 -0.128 0.000 0.997 340 Y HN -0.095 nan 8.280 nan 0.000 0.522 341 Q N 0.283 120.088 119.800 0.009 0.000 2.291 341 Q HA -0.013 4.327 4.340 -0.000 0.000 0.205 341 Q C 0.387 176.309 176.000 -0.129 0.000 0.970 341 Q CA 0.992 56.766 55.803 -0.047 0.000 0.876 341 Q CB -0.068 28.677 28.738 0.012 0.000 0.935 341 Q HN 0.439 nan 8.270 nan 0.000 0.455 342 S N -0.506 115.104 115.700 -0.151 0.000 2.627 342 S HA 0.457 4.927 4.470 -0.000 0.000 0.283 342 S C 0.285 174.788 174.600 -0.161 0.000 1.127 342 S CA -0.841 57.282 58.200 -0.128 0.000 0.863 342 S CB 1.464 64.606 63.200 -0.098 0.000 1.121 342 S HN 0.471 nan 8.310 nan 0.000 0.479 343 I N -1.906 118.596 120.570 -0.113 0.000 5.071 343 I HA -0.166 4.004 4.170 -0.000 0.000 0.126 343 I C 0.373 176.376 176.117 -0.191 0.000 1.290 343 I CA 0.446 61.669 61.300 -0.128 0.000 2.644 343 I CB -2.149 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 2.815 111.498 108.800 -0.195 0.000 2.687 344 G HA2 0.451 4.411 3.960 -0.000 0.000 0.288 344 G HA3 0.451 4.411 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 0.302 45.265 45.100 -0.229 0.000 2.023 344 G HN 1.056 nan 8.290 nan 0.000 0.529 345 G N -0.725 107.981 108.800 -0.157 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 -0.994 173.844 174.900 -0.103 0.000 1.103 345 G CA -0.079 44.947 45.100 -0.122 0.000 0.779 345 G HN 0.908 nan 8.290 nan 0.000 0.673 346 V N 0.396 120.255 119.914 -0.091 0.000 2.711 346 V HA 0.650 4.770 4.120 -0.000 0.000 0.304 346 V C -0.986 175.118 176.094 0.016 0.000 1.097 346 V CA -0.389 61.882 62.300 -0.049 0.000 0.906 346 V CB 1.900 33.666 31.823 -0.096 0.000 1.015 346 V HN 0.732 nan 8.190 nan 0.000 0.427 347 T N 9.014 123.566 114.554 -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 -1.113 60.947 62.100 -0.066 0.000 0.993 347 T CB 1.708 70.437 68.868 -0.232 0.000 0.939 347 T HN 0.526 nan 8.240 nan 0.000 0.449 348 P HA 0.265 nan 4.420 nan 0.000 0.269 348 P C -0.598 176.561 177.300 -0.235 0.000 1.215 348 P CA -0.393 62.494 63.100 -0.354 0.000 0.780 348 P CB 0.342 31.844 31.700 -0.331 0.000 0.898 349 A N 2.141 124.844 122.820 -0.195 0.000 2.483 349 A HA 0.447 4.767 4.320 -0.000 0.000 0.238 349 A C 1.490 178.966 177.584 -0.180 0.000 1.070 349 A CA 0.817 52.760 52.037 -0.156 0.000 0.770 349 A CB -1.209 17.761 19.000 -0.050 0.000 1.008 349 A HN 0.850 nan 8.150 nan 0.000 0.497 350 G N -0.029 108.583 108.800 -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 0.095 174.661 174.900 -0.558 0.000 0.996 350 G CA 0.096 45.076 45.100 -0.200 0.000 0.626 350 G HN 1.490 nan 8.290 nan 0.000 0.509 351 V N 1.325 120.756 119.914 -0.806 0.000 2.459 351 V HA 0.761 4.881 4.120 -0.000 0.000 0.295 351 V C -0.366 175.100 176.094 -1.047 0.000 1.029 351 V CA -0.841 60.984 62.300 -0.792 0.000 0.874 351 V CB 1.240 32.724 31.823 -0.565 0.000 0.985 351 V HN 0.277 nan 8.190 nan 0.000 0.438 352 Y N 4.112 124.008 120.300 -0.674 0.000 2.524 352 Y HA 0.743 5.293 4.550 -0.000 0.000 0.344 352 Y C -0.232 175.139 175.900 -0.882 0.000 1.012 352 Y CA -1.042 56.531 58.100 -0.879 0.000 1.068 352 Y CB 1.909 39.481 38.460 -1.480 0.000 1.249 352 Y HN 0.386 nan 8.280 nan 0.000 0.468 353 L N 2.702 123.705 121.223 -0.366 0.000 2.422 353 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 353 L C -2.282 174.730 176.870 0.236 0.000 0.984 353 L CA -0.838 53.928 54.840 -0.125 0.000 0.819 353 L CB 2.432 44.345 42.059 -0.243 0.000 1.330 353 L HN 0.853 nan 8.230 nan 0.000 0.410 354 Y N 3.097 123.571 120.300 0.290 0.000 2.317 354 Y HA 0.395 4.945 4.550 -0.000 0.000 0.325 354 Y C -0.658 175.279 175.900 0.063 0.000 1.066 354 Y CA -0.321 57.950 58.100 0.285 0.000 1.203 354 Y CB 1.736 40.491 38.460 0.492 0.000 1.127 354 Y HN 0.629 nan 8.280 nan 0.000 0.451 355 S N 4.719 120.045 115.700 -0.624 0.000 2.541 355 S HA 0.429 4.899 4.470 -0.000 0.000 0.283 355 S C 0.085 174.371 174.600 -0.524 0.000 1.196 355 S CA -0.355 57.636 58.200 -0.349 0.000 1.062 355 S CB 0.394 63.502 63.200 -0.153 0.000 1.009 355 S HN 0.658 nan 8.310 nan 0.000 0.502 356 F N 2.280 122.297 119.950 0.111 0.000 2.721 356 F HA 0.429 4.956 4.527 -0.000 0.000 0.301 356 F C 1.163 177.046 175.800 0.138 0.000 1.096 356 F CA -0.090 58.005 58.000 0.158 0.000 1.308 356 F CB 0.285 39.446 39.000 0.269 0.000 1.086 356 F HN 0.585 nan 8.300 nan 0.000 0.587 357 A N 0.238 123.221 122.820 0.272 0.000 2.320 357 A HA 0.552 4.872 4.320 -0.000 0.000 0.334 357 A C 0.845 178.503 177.584 0.124 0.000 1.147 357 A CA -0.492 51.678 52.037 0.221 0.000 0.820 357 A CB 0.871 20.034 19.000 0.271 0.000 1.218 357 A HN 0.265 nan 8.150 nan 0.000 0.482 358 L N -0.235 121.053 121.223 0.109 0.000 2.109 358 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 358 L C 1.355 178.258 176.870 0.054 0.000 1.086 358 L CA 1.313 56.191 54.840 0.064 0.000 0.760 358 L CB -0.004 42.091 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 -1.884 174.801 176.600 0.142 0.000 1.071 359 K CA -1.345 54.994 56.287 0.086 0.000 0.999 359 K CB 1.174 33.717 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 0.797 178.221 177.300 0.207 0.000 1.146 360 P CA 1.144 64.412 63.100 0.280 0.000 0.808 360 P CB 0.360 32.220 31.700 0.266 0.000 0.779 361 A N -0.114 122.802 122.820 0.159 0.000 2.132 361 A HA 0.305 4.625 4.320 -0.000 0.000 0.213 361 A C 1.534 179.139 177.584 0.034 0.000 1.154 361 A CA 0.492 52.541 52.037 0.020 0.000 0.753 361 A CB -1.026 18.074 19.000 0.166 0.000 0.826 361 A HN 0.310 nan 8.150 nan 0.000 0.469 362 G N -1.102 107.748 108.800 0.084 0.000 2.467 362 G HA2 0.381 4.341 3.960 -0.000 0.000 0.257 362 G HA3 0.381 4.341 3.960 -0.000 0.000 0.257 362 G C 0.651 175.626 174.900 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 0.024 120.597 120.500 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 -0.410 29.976 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 0.066 4.406 4.340 -0.000 0.000 0.280 364 Q C -2.080 173.990 176.000 0.116 0.000 1.068 364 Q CA -1.574 54.285 55.803 0.092 0.000 0.911 364 Q CB 0.816 29.591 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 -0.751 176.591 177.300 0.070 0.000 1.204 365 P CA 0.163 63.272 63.100 0.015 0.000 0.768 365 P CB 0.533 31.991 31.700 -0.404 0.000 0.842 366 S N 1.212 117.000 115.700 0.147 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 -0.573 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 0.566 109.458 108.800 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 -0.699 174.351 174.900 0.250 0.000 1.199 367 G CA -0.267 44.941 45.100 0.181 0.000 0.946 367 G HN 0.783 nan 8.290 nan 0.000 0.558 368 T N 0.387 115.069 114.554 0.213 0.000 2.864 368 T HA 0.701 5.051 4.350 -0.000 0.000 0.299 368 T C -0.763 173.979 174.700 0.070 0.000 1.166 368 T CA 0.218 62.444 62.100 0.211 0.000 1.007 368 T CB 1.863 70.859 68.868 0.214 0.000 1.219 368 T HN 1.841 nan 8.240 nan 0.000 0.506 369 C N 3.318 122.559 119.300 -0.097 0.000 2.340 369 C HA 0.626 5.086 4.460 -0.000 0.000 0.323 369 C C 0.113 175.038 174.990 -0.108 0.000 1.260 369 C CA -0.744 58.091 59.018 -0.304 0.000 1.464 369 C CB -0.609 26.535 27.740 -0.993 0.000 2.156 369 C HN 1.002 nan 8.230 nan 0.000 0.476 370 N N 4.199 122.839 118.700 -0.100 0.000 2.448 370 N HA 0.228 4.968 4.740 -0.000 0.000 0.250 370 N C 0.466 175.940 175.510 -0.061 0.000 1.136 370 N CA -0.309 52.729 53.050 -0.019 0.000 0.953 370 N CB 0.242 38.704 38.487 -0.041 0.000 1.251 370 N HN 0.733 nan 8.380 nan 0.000 0.502 371 F N 0.976 120.879 119.950 -0.077 0.000 2.365 371 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 371 F C 2.445 178.206 175.800 -0.064 0.000 1.090 371 F CA 0.611 58.583 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 1.459 176.036 174.600 -0.040 0.000 0.956 372 S CA 0.032 58.212 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 0.197 nan 8.310 nan 0.000 0.519 373 R N 0.310 120.777 120.500 -0.056 0.000 2.549 373 R HA 0.476 4.816 4.340 -0.000 0.000 0.344 373 R C -0.689 175.554 176.300 -0.095 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 1.101 121.603 120.570 -0.114 0.000 2.411 374 I HA 0.137 4.307 4.170 -0.000 0.000 0.284 374 I C 0.623 176.691 176.117 -0.083 0.000 1.012 374 I CA -0.390 60.827 61.300 -0.139 0.000 1.119 374 I CB 2.107 39.943 38.000 -0.274 0.000 1.261 374 I HN -0.180 nan 8.210 nan 0.000 0.448 375 D N 3.741 124.100 120.400 -0.068 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 1.568 55.538 54.000 -0.050 0.000 0.834 375 D CB 0.282 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 -0.170 118.494 118.700 -0.061 0.000 2.371 376 N HA 0.377 5.117 4.740 -0.000 0.000 0.291 376 N C -1.919 173.554 175.510 -0.062 0.000 1.053 376 N CA -0.279 52.736 53.050 -0.057 0.000 0.870 376 N CB 2.196 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 1.473 20.566 19.000 0.156 0.000 1.239 377 A HN 0.538 nan 8.150 nan 0.000 0.435 378 T N 2.010 116.537 114.554 -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 2.669 123.783 121.223 -0.181 0.000 2.276 379 L HA 0.612 4.952 4.340 -0.000 0.000 0.286 379 L C -0.175 176.550 176.870 -0.241 0.000 1.024 379 L CA -0.394 54.280 54.840 -0.276 0.000 0.826 379 L CB 1.284 43.107 42.059 -0.393 0.000 1.211 379 L HN 0.635 nan 8.230 nan 0.000 0.422 380 S N 5.794 121.355 115.700 -0.232 0.000 2.438 380 S HA 0.652 5.122 4.470 -0.000 0.000 0.293 380 S C -0.538 173.946 174.600 -0.193 0.000 1.141 380 S CA -0.549 57.545 58.200 -0.178 0.000 1.080 380 S CB 0.452 63.562 63.200 -0.151 0.000 0.978 380 S HN 0.537 nan 8.310 nan 0.000 0.479 381 L N 3.717 124.828 121.223 -0.187 0.000 2.341 381 L HA 0.671 5.011 4.340 -0.000 0.000 0.267 381 L C -0.366 176.326 176.870 -0.296 0.000 1.009 381 L CA -0.787 53.888 54.840 -0.276 0.000 0.819 381 L CB 2.552 44.407 42.059 -0.341 0.000 1.323 381 L HN 0.503 nan 8.230 nan 0.000 0.425 382 T N 0.123 114.450 114.554 -0.378 0.000 3.031 382 T HA 0.467 4.817 4.350 -0.000 0.000 0.305 382 T C -0.923 173.568 174.700 -0.349 0.000 0.985 382 T CA -0.553 61.397 62.100 -0.251 0.000 1.008 382 T CB 0.650 69.459 68.868 -0.098 0.000 1.005 382 T HN 0.152 nan 8.240 nan 0.000 0.444 383 Y N 1.584 121.863 120.300 -0.035 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 -0.821 57.240 58.100 -0.066 0.000 1.348 383 Y CB 0.869 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 -0.053 120.425 120.400 0.130 0.000 2.102 384 K HA 0.286 4.606 4.320 -0.000 0.000 0.244 384 K C -0.610 176.032 176.600 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 32.974 32.500 0.059 0.000 1.062 384 K HN 0.517 nan 8.250 nan 0.000 0.485 385 T N 1.488 116.071 114.554 0.047 0.000 2.747 385 T HA 0.071 4.421 4.350 -0.000 0.000 0.301 385 T C 1.120 175.834 174.700 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 68.775 68.868 0.027 0.000 0.930 385 T HN 0.602 nan 8.240 nan 0.000 0.494 386 C N 2.381 121.691 119.300 0.016 0.000 3.731 386 C HA -0.200 4.260 4.460 -0.000 0.000 0.291 386 C C 2.595 177.591 174.990 0.009 0.000 1.186 386 C CA 1.262 60.285 59.018 0.009 0.000 1.830 386 C CB -1.408 26.330 27.740 -0.003 0.000 1.914 386 C HN 1.219 nan 8.230 nan 0.000 0.398 387 S N 0.052 115.756 115.700 0.005 0.000 2.616 387 S HA -0.293 4.177 4.470 -0.000 0.000 0.254 387 S C 0.028 174.631 174.600 0.006 0.000 1.299 387 S CA 1.691 59.895 58.200 0.005 0.000 1.553 387 S CB -2.284 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 2.731 123.305 120.570 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 -0.139 61.165 61.300 0.007 0.000 1.383 388 I CB 0.547 38.553 38.000 0.009 0.000 1.412 388 I HN 0.177 nan 8.210 nan 0.000 0.531 389 D N 5.556 125.958 120.400 0.002 0.000 2.383 389 D HA 0.186 4.826 4.640 -0.000 0.000 0.245 389 D C 1.017 177.316 176.300 -0.001 0.000 1.263 389 D CA -0.061 53.940 54.000 0.000 0.000 0.936 389 D CB 1.173 41.974 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 2.010 179.589 177.584 -0.008 0.000 1.161 390 A CA 1.955 53.989 52.037 -0.005 0.000 0.653 390 A CB -0.715 18.281 19.000 -0.008 0.000 0.802 390 A HN 0.641 nan 8.150 nan 0.000 0.457 391 T N -3.538 111.012 114.554 -0.007 0.000 3.113 391 T HA 0.183 4.533 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 0.738 62.833 62.100 -0.007 0.000 1.074 391 T CB -0.190 68.674 68.868 -0.007 0.000 0.944 391 T HN 0.252 nan 8.240 nan 0.000 0.516 392 S N 2.106 117.804 115.700 -0.003 0.000 2.448 392 S HA 0.439 4.909 4.470 -0.000 0.000 0.320 392 S C -1.958 172.641 174.600 -0.001 0.000 1.071 392 S CA -1.722 56.477 58.200 -0.002 0.000 1.113 392 S CB 1.357 64.556 63.200 -0.000 0.000 0.972 392 S HN -0.024 nan 8.310 nan 0.000 0.465 393 P HA -0.043 nan 4.420 nan 0.000 0.215 393 P C 1.264 178.566 177.300 0.003 0.000 1.153 393 P CA 1.170 64.270 63.100 0.000 0.000 0.853 393 P CB 0.114 31.814 31.700 -0.000 0.000 0.788 394 A N -0.444 122.377 122.820 0.002 0.000 2.067 394 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 394 A C 2.204 179.791 177.584 0.005 0.000 1.158 394 A CA 1.772 53.811 52.037 0.003 0.000 0.661 394 A CB -1.351 17.650 19.000 0.003 0.000 0.801 394 A HN 0.204 nan 8.150 nan 0.000 0.452 395 A N -0.720 122.102 122.820 0.004 0.000 1.935 395 A HA 0.179 4.499 4.320 -0.000 0.000 0.214 395 A C 2.107 179.695 177.584 0.007 0.000 1.178 395 A CA 1.398 53.438 52.037 0.005 0.000 0.640 395 A CB -0.499 18.504 19.000 0.004 0.000 0.825 395 A HN 0.331 nan 8.150 nan 0.000 0.447 396 V N 0.040 119.958 119.914 0.007 0.000 2.407 396 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 396 V C 2.264 178.365 176.094 0.012 0.000 1.041 396 V CA 1.446 63.752 62.300 0.009 0.000 1.040 396 V CB -0.737 31.090 31.823 0.006 0.000 0.671 396 V HN 0.514 nan 8.190 nan 0.000 0.455 397 L N 0.500 121.728 121.223 0.010 0.000 2.552 397 L HA 0.232 4.572 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 0.868 55.715 54.840 0.011 0.000 0.858 397 L CB -0.300 41.765 42.059 0.009 0.000 0.969 397 L HN 0.452 nan 8.230 nan 0.000 0.451 398 G N -0.271 108.535 108.800 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 -0.362 52.696 53.050 0.014 0.000 0.752 399 N CB 1.990 40.486 38.487 0.015 0.000 1.863 399 N HN 0.058 nan 8.380 nan 0.000 0.636 400 T N 0.355 114.920 114.554 0.018 0.000 2.928 400 T HA 0.111 4.461 4.350 -0.000 0.000 0.284 400 T C 1.274 175.990 174.700 0.027 0.000 1.008 400 T CA -0.300 61.812 62.100 0.021 0.000 1.057 400 T CB 1.442 70.321 68.868 0.018 0.000 1.018 400 T HN 0.513 nan 8.240 nan 0.000 0.493 401 E N 0.950 121.167 120.200 0.029 0.000 2.160 401 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 401 E C 1.460 178.086 176.600 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 29.788 29.700 0.038 0.000 0.742 401 E HN 0.761 nan 8.360 nan 0.000 0.466 402 T N -1.643 112.933 114.554 0.037 0.000 3.188 402 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 402 T C 0.373 175.095 174.700 0.037 0.000 1.077 402 T CA 0.062 62.184 62.100 0.038 0.000 0.967 402 T CB 0.064 68.952 68.868 0.032 0.000 1.006 402 T HN 0.063 nan 8.240 nan 0.000 0.552 403 V N -1.347 118.587 119.914 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 1.750 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 -1.007 113.564 114.554 0.028 0.000 2.681 404 T HA 0.850 5.200 4.350 -0.000 0.000 0.296 404 T C 0.058 174.768 174.700 0.017 0.000 1.157 404 T CA -0.383 61.732 62.100 0.026 0.000 1.025 404 T CB 1.184 70.072 68.868 0.032 0.000 1.441 404 T HN 2.122 nan 8.240 nan 0.000 0.504 405 A N 1.926 124.754 122.820 0.014 0.000 2.477 405 A HA 0.325 4.645 4.320 -0.000 0.000 0.246 405 A C 1.669 179.255 177.584 0.003 0.000 1.078 405 A CA -0.112 51.929 52.037 0.007 0.000 0.770 405 A CB -0.274 18.729 19.000 0.004 0.000 1.011 405 A HN 0.931 nan 8.150 nan 0.000 0.494 406 N N 2.177 120.877 118.700 -0.000 0.000 2.417 406 N HA -0.151 4.589 4.740 -0.000 0.000 0.187 406 N C 0.954 176.460 175.510 -0.007 0.000 1.027 406 N CA 2.014 55.062 53.050 -0.004 0.000 0.891 406 N CB -0.936 37.549 38.487 -0.004 0.000 0.956 406 N HN 0.532 nan 8.380 nan 0.000 0.442 407 T N 0.352 114.903 114.554 -0.005 0.000 3.007 407 T HA 0.110 4.460 4.350 -0.000 0.000 0.270 407 T C 1.887 176.586 174.700 -0.002 0.000 1.107 407 T CA 0.940 63.037 62.100 -0.005 0.000 1.118 407 T CB -0.344 68.519 68.868 -0.007 0.000 0.889 407 T HN 0.549 nan 8.240 nan 0.000 0.506 408 A N 1.331 124.150 122.820 -0.002 0.000 2.076 408 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 408 A C 2.401 179.973 177.584 -0.020 0.000 1.160 408 A CA 1.715 53.750 52.037 -0.004 0.000 0.653 408 A CB -1.062 17.932 19.000 -0.009 0.000 0.801 408 A HN 0.471 nan 8.150 nan 0.000 0.455 409 T N 0.178 114.717 114.554 -0.026 0.000 2.977 409 T HA -0.061 4.289 4.350 -0.000 0.000 0.271 409 T C 1.489 176.180 174.700 -0.014 0.000 1.105 409 T CA 1.185 63.264 62.100 -0.036 0.000 1.116 409 T CB -0.294 68.557 68.868 -0.029 0.000 0.878 409 T HN 0.428 nan 8.240 nan 0.000 0.509 410 L N 0.181 121.408 121.223 0.006 0.000 2.418 410 L HA 0.205 4.545 4.340 -0.000 0.000 0.218 410 L C 0.812 177.716 176.870 0.055 0.000 1.125 410 L CA 0.375 55.230 54.840 0.025 0.000 0.835 410 L CB -0.207 41.866 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 1.688 178.653 176.870 0.160 0.000 1.373 411 L CA -0.097 54.829 54.840 0.143 0.000 1.227 411 L CB -0.487 41.674 42.059 0.170 0.000 1.428 411 L HN 0.247 nan 8.230 nan 0.000 0.425 412 T N -3.059 111.570 114.554 0.126 0.000 3.043 412 T HA 0.126 4.476 4.350 -0.000 0.000 0.263 412 T C 0.877 175.667 174.700 0.151 0.000 1.094 412 T CA 0.306 62.472 62.100 0.110 0.000 1.127 412 T CB 0.249 69.157 68.868 0.066 0.000 0.905 412 T HN 0.377 nan 8.240 nan 0.000 0.490 413 A N 1.506 124.438 122.820 0.186 0.000 2.260 413 A HA 0.695 5.015 4.320 -0.000 0.000 0.308 413 A C -0.457 177.249 177.584 0.204 0.000 1.254 413 A CA -0.789 51.355 52.037 0.178 0.000 0.874 413 A CB 0.337 19.441 19.000 0.173 0.000 1.153 413 A HN 0.590 nan 8.150 nan 0.000 0.527 414 L N 3.867 125.170 121.223 0.134 0.000 2.265 414 L HA 0.373 4.713 4.340 -0.000 0.000 0.289 414 L C -0.928 175.963 176.870 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 6.971 125.721 118.700 0.084 0.000 2.446 415 N HA 0.474 5.214 4.740 -0.000 0.000 0.265 415 N C -0.924 174.672 175.510 0.143 0.000 0.975 415 N CA -0.252 52.917 53.050 0.198 0.000 0.928 415 N CB 2.328 40.981 38.487 0.276 0.000 1.160 415 N HN 0.506 nan 8.380 nan 0.000 0.495 416 I N 2.757 123.358 120.570 0.053 0.000 2.378 416 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 416 I C -0.871 175.322 176.117 0.126 0.000 0.992 416 I CA -0.724 60.690 61.300 0.189 0.000 1.154 416 I CB 0.861 38.955 38.000 0.155 0.000 1.315 416 I HN 0.303 nan 8.210 nan 0.000 0.448 417 Y N 4.248 124.783 120.300 0.392 0.000 2.485 417 Y HA 0.771 5.321 4.550 -0.000 0.000 0.345 417 Y C 0.110 175.917 175.900 -0.155 0.000 0.998 417 Y CA -0.928 57.267 58.100 0.158 0.000 1.059 417 Y CB 2.112 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 2.476 125.043 122.820 -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 1.397 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 2.358 122.339 120.400 -0.698 0.000 2.265 419 K HA 0.398 4.718 4.320 -0.000 0.000 0.267 419 K C -0.261 176.033 176.600 -0.511 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 2.117 120.599 118.700 -0.364 0.000 2.545 420 N HA 0.304 5.043 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 0.829 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 -0.776 119.495 120.300 -0.048 0.000 2.496 421 Y HA 0.504 5.054 4.550 -0.000 0.000 0.331 421 Y C 0.600 176.431 175.900 -0.115 0.000 1.140 421 Y CA -0.428 57.639 58.100 -0.055 0.000 1.166 421 Y CB 1.365 39.814 38.460 -0.019 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 1.797 121.790 119.914 0.130 0.000 2.487 423 V HA 0.499 4.619 4.120 -0.000 0.000 0.298 423 V C -0.073 176.026 176.094 0.008 0.000 1.028 423 V CA -0.725 61.623 62.300 0.080 0.000 0.860 423 V CB 1.684 33.588 31.823 0.134 0.000 0.991 423 V HN 0.499 nan 8.190 nan 0.000 0.427 424 L N 6.772 128.004 121.223 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 -0.528 54.326 54.840 0.023 0.000 0.826 424 L CB 0.715 42.740 42.059 -0.056 0.000 1.211 424 L HN 0.752 nan 8.230 nan 0.000 0.422 425 R N 5.182 125.728 120.500 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 0.125 0.000 0.984 425 R CA -0.656 55.498 56.100 0.090 0.000 0.861 425 R CB 1.506 31.818 30.300 0.019 0.000 1.104 425 R HN 0.488 nan 8.270 nan 0.000 0.451 426 I N 4.327 125.005 120.570 0.181 0.000 2.418 426 I HA 0.440 4.610 4.170 -0.000 0.000 0.287 426 I C -0.432 175.769 176.117 0.141 0.000 1.008 426 I CA -0.606 60.811 61.300 0.195 0.000 1.104 426 I CB 1.830 40.015 38.000 0.309 0.000 1.264 426 I HN 0.622 nan 8.210 nan 0.000 0.438 427 M N 3.653 123.302 119.600 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 55.100 55.300 0.036 0.000 0.893 427 M CB 2.285 34.881 32.600 -0.006 0.000 1.730 427 M HN 0.532 nan 8.290 nan 0.000 0.483 428 S N 1.542 117.272 115.700 0.049 0.000 3.581 428 S HA -0.172 4.298 4.470 -0.000 0.000 0.354 428 S C 0.733 175.460 174.600 0.213 0.000 1.059 428 S CA 1.577 59.833 58.200 0.094 0.000 1.060 428 S CB -2.035 61.192 63.200 0.044 0.000 0.908 428 S HN 1.646 nan 8.310 nan 0.000 0.475 429 G N -0.085 108.797 108.800 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 -0.109 174.801 174.900 0.017 0.000 0.977 429 G CA 0.560 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 -1.168 118.404 119.600 -0.047 0.000 2.593 430 M HA 0.774 5.254 4.480 -0.000 0.000 0.290 430 M C 0.061 176.370 176.300 0.015 0.000 1.244 430 M CA -0.382 54.721 55.300 -0.329 0.000 0.857 430 M CB 1.950 34.069 32.600 -0.803 0.000 1.738 430 M HN 0.680 nan 8.290 nan 0.000 0.461 431 G N -0.386 108.587 108.800 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 -1.183 173.849 174.900 0.221 0.000 1.253 431 G CA -0.733 44.506 45.100 0.232 0.000 0.974 431 G HN 1.130 nan 8.290 nan 0.000 0.483 432 G N -1.031 107.836 108.800 0.112 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 -1.202 173.703 174.900 0.008 0.000 1.467 432 G CA -0.882 44.253 45.100 0.058 0.000 0.852 432 G HN 0.631 nan 8.290 nan 0.000 0.521 433 L N 1.595 122.807 121.223 -0.018 0.000 2.331 433 L HA 0.409 4.749 4.340 -0.000 0.000 0.278 433 L C 1.864 178.666 176.870 -0.113 0.000 1.106 433 L CA -0.394 54.417 54.840 -0.048 0.000 0.824 433 L CB 1.609 43.649 42.059 -0.031 0.000 1.142 433 L HN 0.808 nan 8.230 nan 0.000 0.443 434 A N 3.739 126.433 122.820 -0.211 0.000 1.883 434 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 434 A C 0.369 177.499 177.584 -0.756 0.000 1.186 434 A CA 1.366 53.078 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 -1.449 118.871 120.300 0.033 0.000 2.328 435 Y HA 0.580 5.130 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 -0.758 57.403 58.100 0.101 0.000 1.134 435 Y CB 1.305 39.869 38.460 0.172 0.000 1.166 435 Y HN 0.164 nan 8.280 nan 0.000 0.464 436 A N 4.844 127.793 122.820 0.215 0.000 3.004 436 A HA 0.475 4.795 4.320 -0.000 0.000 0.286 436 A C -0.305 177.406 177.584 0.211 0.000 1.632 436 A CA -0.197 51.942 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