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 2f6f_1_A DATA FIRST_RESID -3 DATA SEQUENCE ALEFMEMEKE FEQIDKSGSW AAIYQDIRHE ASDFPCRVAK LPKNKNRNRY DATA SEQUENCE RDVSPFDHSR IKLHQEDNDY INASLIKMEE AQRSYILTQG PLPNTCGHFW DATA SEQUENCE EMVWEQKSRG VVMLNRVMEK GSLKCAQYWP QKEEKEMIFE DTNLKLTLIS DATA SEQUENCE EDIKSYYTVR QLELENLTTQ ETREILHFHY TTWPDFGVPE SPASFLNFLF DATA SEQUENCE KVRESGSLSP EHGPVVVHCS AGIGRSGTFC LADTCLLLMD KRKDPSSVDI DATA SEQUENCE KKVLLEMRKF RMGLIQTADQ LRFSYLAVIE GAKFIMGDSS VQDQWKELFH DATA SEQUENCE ED 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 -3 A HA 0.000 nan 4.320 nan 0.000 0.244 -3 A C 0.000 177.529 177.584 -0.092 0.000 1.274 -3 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 -3 A CB 0.000 18.968 19.000 -0.052 0.000 0.831 -2 L N 2.140 123.287 121.223 -0.126 0.000 2.313 -2 L HA 0.700 5.039 4.340 -0.000 0.000 0.282 -2 L C -0.174 176.525 176.870 -0.286 0.000 1.092 -2 L CA 0.584 55.297 54.840 -0.213 0.000 0.831 -2 L CB 0.692 42.602 42.059 -0.248 0.000 1.159 -2 L HN 0.459 nan 8.230 nan 0.000 0.442 -1 E N 4.358 124.369 120.200 -0.315 0.000 2.349 -1 E HA 0.271 4.621 4.350 -0.000 0.000 0.290 -1 E C -1.589 174.902 176.600 -0.182 0.000 0.901 -1 E CA -0.595 55.644 56.400 -0.268 0.000 0.800 -1 E CB 0.766 30.396 29.700 -0.116 0.000 1.303 -1 E HN 0.378 nan 8.360 nan 0.000 0.397 0 F N 2.710 122.669 119.950 0.016 0.000 2.389 0 F HA 0.376 4.903 4.527 -0.000 0.000 0.337 0 F C 1.041 176.856 175.800 0.026 0.000 1.112 0 F CA -0.402 57.612 58.000 0.024 0.000 1.192 0 F CB 0.617 39.640 39.000 0.037 0.000 1.185 0 F HN 0.382 nan 8.300 nan 0.000 0.552 1 M N 1.905 121.651 119.600 0.244 0.000 2.228 1 M HA 0.100 4.580 4.480 -0.000 0.000 0.326 1 M C 1.363 177.755 176.300 0.154 0.000 1.122 1 M CA -0.262 55.123 55.300 0.143 0.000 1.161 1 M CB 0.634 33.296 32.600 0.103 0.000 1.437 1 M HN 0.550 nan 8.290 nan 0.000 0.465 2 E N 1.615 121.885 120.200 0.117 0.000 2.110 2 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 2 E C 1.706 178.388 176.600 0.136 0.000 0.988 2 E CA 1.553 58.022 56.400 0.115 0.000 0.804 2 E CB -0.323 29.429 29.700 0.087 0.000 0.745 2 E HN 0.775 nan 8.360 nan 0.000 0.458 3 M N -0.753 118.934 119.600 0.144 0.000 2.562 3 M HA 0.094 4.573 4.480 -0.000 0.000 0.257 3 M C 1.786 178.262 176.300 0.292 0.000 1.099 3 M CA 1.293 56.729 55.300 0.226 0.000 1.099 3 M CB 0.055 32.753 32.600 0.164 0.000 1.427 3 M HN -0.130 nan 8.290 nan 0.000 0.489 4 E N 1.575 121.887 120.200 0.186 0.000 2.072 4 E HA -0.114 4.235 4.350 -0.000 0.000 0.190 4 E C 1.788 178.447 176.600 0.098 0.000 0.982 4 E CA 1.084 57.563 56.400 0.132 0.000 0.803 4 E CB 0.186 29.935 29.700 0.082 0.000 0.755 4 E HN 0.597 nan 8.360 nan 0.000 0.453 5 K N 0.453 120.896 120.400 0.072 0.000 2.097 5 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 5 K C 2.179 178.808 176.600 0.049 0.000 1.050 5 K CA 1.211 57.507 56.287 0.015 0.000 0.938 5 K CB -0.049 32.490 32.500 0.065 0.000 0.718 5 K HN 0.171 nan 8.250 nan 0.000 0.442 6 E N 0.589 120.857 120.200 0.114 0.000 2.051 6 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 6 E C 1.862 178.476 176.600 0.022 0.000 0.991 6 E CA 0.953 57.402 56.400 0.082 0.000 0.799 6 E CB -0.113 29.700 29.700 0.188 0.000 0.748 6 E HN 0.224 nan 8.360 nan 0.000 0.449 7 F N 2.138 122.105 119.950 0.028 0.000 2.091 7 F HA -0.257 4.269 4.527 -0.000 0.000 0.299 7 F C 2.436 178.218 175.800 -0.030 0.000 1.103 7 F CA 2.075 60.086 58.000 0.018 0.000 1.228 7 F CB -0.110 39.003 39.000 0.188 0.000 0.984 7 F HN 0.070 nan 8.300 nan 0.000 0.477 8 E N 0.325 120.647 120.200 0.204 0.000 2.077 8 E HA -0.306 4.044 4.350 -0.000 0.000 0.193 8 E C 2.197 178.746 176.600 -0.085 0.000 0.989 8 E CA 1.648 58.090 56.400 0.069 0.000 0.800 8 E CB -0.423 29.270 29.700 -0.013 0.000 0.746 8 E HN 0.660 nan 8.360 nan 0.000 0.452 9 Q N 0.060 119.788 119.800 -0.119 0.000 2.084 9 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 9 Q C 2.421 178.254 176.000 -0.278 0.000 0.978 9 Q CA 1.435 57.143 55.803 -0.158 0.000 0.844 9 Q CB -0.034 28.628 28.738 -0.126 0.000 0.898 9 Q HN 0.337 nan 8.270 nan 0.000 0.426 10 I N 0.497 120.787 120.570 -0.467 0.000 2.252 10 I HA -0.236 3.933 4.170 -0.000 0.000 0.245 10 I C 1.842 177.535 176.117 -0.706 0.000 1.102 10 I CA 1.083 61.909 61.300 -0.790 0.000 1.385 10 I CB -0.252 36.830 38.000 -1.530 0.000 1.064 10 I HN 0.213 nan 8.210 nan 0.000 0.414 11 D N 1.013 121.108 120.400 -0.509 0.000 2.097 11 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 11 D C 2.161 178.397 176.300 -0.107 0.000 0.989 11 D CA 1.264 55.162 54.000 -0.169 0.000 0.827 11 D CB -0.035 40.721 40.800 -0.074 0.000 0.966 11 D HN 0.109 nan 8.370 nan 0.000 0.456 12 K N -0.014 120.318 120.400 -0.114 0.000 2.057 12 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 12 K C 1.777 178.326 176.600 -0.085 0.000 1.049 12 K CA 1.509 57.752 56.287 -0.072 0.000 0.931 12 K CB -0.021 32.441 32.500 -0.065 0.000 0.714 12 K HN 0.160 nan 8.250 nan 0.000 0.440 13 S N -0.899 114.720 115.700 -0.135 0.000 2.593 13 S HA 0.109 4.579 4.470 -0.000 0.000 0.217 13 S C 1.080 175.607 174.600 -0.121 0.000 0.966 13 S CA 0.336 58.462 58.200 -0.123 0.000 0.914 13 S CB 0.247 63.359 63.200 -0.147 0.000 0.776 13 S HN 0.467 nan 8.310 nan 0.000 0.523 14 G N 1.930 110.652 108.800 -0.129 0.000 2.305 14 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.287 14 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.287 14 G C 0.368 175.208 174.900 -0.100 0.000 1.036 14 G CA 0.451 45.508 45.100 -0.073 0.000 0.887 14 G HN 1.339 nan 8.290 nan 0.000 0.505 15 S N -2.117 113.438 115.700 -0.241 0.000 2.561 15 S HA 0.265 4.735 4.470 -0.000 0.000 0.245 15 S C 1.297 175.757 174.600 -0.235 0.000 1.001 15 S CA 0.183 58.255 58.200 -0.213 0.000 1.002 15 S CB -0.236 62.826 63.200 -0.230 0.000 0.805 15 S HN 0.508 nan 8.310 nan 0.000 0.458 16 W N 1.635 122.877 121.300 -0.097 0.000 2.358 16 W HA 0.014 4.674 4.660 -0.000 0.000 0.303 16 W C 2.670 179.201 176.519 0.020 0.000 1.208 16 W CA 0.920 58.215 57.345 -0.083 0.000 1.274 16 W CB -0.310 29.076 29.460 -0.124 0.000 1.138 16 W HN 0.532 nan 8.180 nan 0.000 0.515 17 A N 0.398 123.362 122.820 0.241 0.000 1.902 17 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 17 A C 2.043 179.730 177.584 0.172 0.000 1.181 17 A CA 2.359 54.526 52.037 0.217 0.000 0.623 17 A CB -1.294 17.791 19.000 0.142 0.000 0.818 17 A HN 0.204 nan 8.150 nan 0.000 0.443 18 A N -0.109 122.759 122.820 0.080 0.000 1.898 18 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 18 A C 2.049 179.654 177.584 0.035 0.000 1.181 18 A CA 1.542 53.597 52.037 0.030 0.000 0.620 18 A CB -0.466 18.521 19.000 -0.022 0.000 0.819 18 A HN 0.416 nan 8.150 nan 0.000 0.442 19 I N -1.563 119.028 120.570 0.035 0.000 2.179 19 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 19 I C 2.447 178.662 176.117 0.164 0.000 1.088 19 I CA 1.657 62.989 61.300 0.053 0.000 1.357 19 I CB -1.375 36.613 38.000 -0.020 0.000 1.051 19 I HN 0.551 nan 8.210 nan 0.000 0.409 20 Y N 2.306 122.687 120.300 0.136 0.000 2.181 20 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 20 Y C 2.706 178.675 175.900 0.114 0.000 1.146 20 Y CA 1.633 59.826 58.100 0.156 0.000 1.164 20 Y CB -0.359 38.204 38.460 0.171 0.000 0.982 20 Y HN 0.176 nan 8.280 nan 0.000 0.515 21 Q N 0.049 119.821 119.800 -0.045 0.000 2.170 21 Q HA -0.209 4.131 4.340 -0.000 0.000 0.203 21 Q C 1.879 177.833 176.000 -0.077 0.000 0.976 21 Q CA 1.850 57.581 55.803 -0.120 0.000 0.858 21 Q CB -0.619 28.119 28.738 -0.001 0.000 0.907 21 Q HN 0.627 nan 8.270 nan 0.000 0.433 22 D N 0.216 120.598 120.400 -0.029 0.000 2.144 22 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 22 D C 1.843 178.155 176.300 0.020 0.000 0.984 22 D CA 0.719 54.716 54.000 -0.005 0.000 0.834 22 D CB -0.061 40.731 40.800 -0.013 0.000 0.955 22 D HN 0.192 nan 8.370 nan 0.000 0.465 23 I N 0.006 120.568 120.570 -0.013 0.000 2.226 23 I HA -0.230 3.939 4.170 -0.000 0.000 0.245 23 I C 2.526 178.612 176.117 -0.051 0.000 1.100 23 I CA 0.936 62.236 61.300 -0.000 0.000 1.374 23 I CB -0.208 37.814 38.000 0.037 0.000 1.057 23 I HN 0.014 nan 8.210 nan 0.000 0.413 24 R N -0.511 119.882 120.500 -0.179 0.000 2.081 24 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 24 R C 2.435 178.706 176.300 -0.048 0.000 1.131 24 R CA 1.383 57.389 56.100 -0.155 0.000 0.960 24 R CB -0.699 29.448 30.300 -0.256 0.000 0.856 24 R HN 0.490 nan 8.270 nan 0.000 0.436 25 H N 1.130 120.145 119.070 -0.091 0.000 2.353 25 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 25 H C 1.271 176.569 175.328 -0.050 0.000 1.090 25 H CA 1.316 57.328 56.048 -0.060 0.000 1.327 25 H CB 0.397 30.129 29.762 -0.050 0.000 1.383 25 H HN 0.123 nan 8.280 nan 0.000 0.508 26 E N 0.721 120.983 120.200 0.103 0.000 2.435 26 E HA 0.114 4.464 4.350 -0.000 0.000 0.195 26 E C 0.795 177.385 176.600 -0.016 0.000 1.029 26 E CA 0.288 56.721 56.400 0.056 0.000 0.865 26 E CB -0.076 29.678 29.700 0.091 0.000 0.833 26 E HN 0.408 nan 8.360 nan 0.000 0.510 27 A N 1.443 124.249 122.820 -0.023 0.000 2.483 27 A HA 0.147 4.467 4.320 -0.000 0.000 0.238 27 A C 0.584 178.123 177.584 -0.075 0.000 1.070 27 A CA -0.136 51.897 52.037 -0.006 0.000 0.770 27 A CB 0.296 19.314 19.000 0.030 0.000 1.008 27 A HN 0.041 nan 8.150 nan 0.000 0.497 28 S N 0.523 116.177 115.700 -0.077 0.000 2.573 28 S HA 0.286 4.756 4.470 -0.000 0.000 0.277 28 S C -0.197 174.166 174.600 -0.395 0.000 1.346 28 S CA 0.055 58.062 58.200 -0.322 0.000 1.034 28 S CB 0.525 63.553 63.200 -0.287 0.000 0.879 28 S HN 0.732 nan 8.310 nan 0.000 0.528 29 D N 0.531 120.484 120.400 -0.746 0.000 2.620 29 D HA 0.557 5.197 4.640 -0.000 0.000 0.252 29 D C -1.494 174.258 176.300 -0.912 0.000 1.207 29 D CA -0.349 53.326 54.000 -0.542 0.000 0.884 29 D CB 0.400 41.022 40.800 -0.296 0.000 1.262 29 D HN 0.196 nan 8.370 nan 0.000 0.552 30 F N 2.906 122.517 119.950 -0.565 0.000 2.593 30 F HA 0.565 5.092 4.527 -0.000 0.000 0.320 30 F C -1.747 173.983 175.800 -0.116 0.000 1.060 30 F CA -1.853 55.856 58.000 -0.485 0.000 0.940 30 F CB 1.588 40.096 39.000 -0.821 0.000 1.268 30 F HN 0.107 nan 8.300 nan 0.000 0.475 31 P HA 0.160 nan 4.420 nan 0.000 0.272 31 P C -0.750 176.726 177.300 0.293 0.000 1.223 31 P CA -0.214 63.008 63.100 0.203 0.000 0.784 31 P CB 0.980 32.760 31.700 0.135 0.000 0.923 32 C N 2.692 122.134 119.300 0.235 0.000 3.114 32 C HA 0.276 4.735 4.460 -0.000 0.000 0.215 32 C C 2.023 177.077 174.990 0.106 0.000 1.759 32 C CA -0.490 58.653 59.018 0.209 0.000 1.455 32 C CB -0.947 26.916 27.740 0.205 0.000 2.528 32 C HN 0.634 nan 8.230 nan 0.000 0.511 33 R N 0.562 121.115 120.500 0.089 0.000 2.091 33 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 33 R C 1.921 178.215 176.300 -0.010 0.000 1.136 33 R CA 1.380 57.502 56.100 0.038 0.000 0.959 33 R CB -0.313 30.012 30.300 0.041 0.000 0.856 33 R HN 0.483 nan 8.270 nan 0.000 0.437 34 V N 1.275 121.190 119.914 0.001 0.000 2.295 34 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 34 V C 2.582 178.495 176.094 -0.301 0.000 1.049 34 V CA 1.933 64.190 62.300 -0.072 0.000 1.024 34 V CB -0.862 30.987 31.823 0.043 0.000 0.648 34 V HN 0.381 nan 8.190 nan 0.000 0.447 35 A N -0.592 122.063 122.820 -0.275 0.000 1.940 35 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 35 A C 2.133 179.517 177.584 -0.334 0.000 1.176 35 A CA 1.653 53.392 52.037 -0.497 0.000 0.631 35 A CB -0.359 18.631 19.000 -0.015 0.000 0.814 35 A HN 0.406 nan 8.150 nan 0.000 0.446 36 K N -0.338 119.967 120.400 -0.159 0.000 2.487 36 K HA 0.229 4.549 4.320 -0.000 0.000 0.192 36 K C 0.196 176.736 176.600 -0.101 0.000 1.027 36 K CA -0.056 56.174 56.287 -0.095 0.000 1.054 36 K CB -0.398 32.084 32.500 -0.030 0.000 0.824 36 K HN 0.491 nan 8.250 nan 0.000 0.510 37 L N 1.803 122.939 121.223 -0.145 0.000 2.485 37 L HA -0.002 4.338 4.340 -0.000 0.000 0.275 37 L C -1.173 175.639 176.870 -0.096 0.000 1.207 37 L CA -1.185 53.591 54.840 -0.106 0.000 0.855 37 L CB 0.138 42.129 42.059 -0.114 0.000 1.114 37 L HN -0.123 nan 8.230 nan 0.000 0.485 38 P HA -0.227 nan 4.420 nan 0.000 0.216 38 P C 1.108 178.385 177.300 -0.038 0.000 1.157 38 P CA 1.491 64.568 63.100 -0.039 0.000 0.880 38 P CB 0.074 31.760 31.700 -0.023 0.000 0.791 39 K N -1.524 118.852 120.400 -0.039 0.000 2.442 39 K HA -0.062 4.258 4.320 -0.000 0.000 0.198 39 K C 1.010 177.592 176.600 -0.029 0.000 1.044 39 K CA 1.294 57.567 56.287 -0.023 0.000 0.948 39 K CB -0.576 31.916 32.500 -0.014 0.000 0.762 39 K HN 0.090 nan 8.250 nan 0.000 0.472 40 N N 1.209 119.858 118.700 -0.085 0.000 2.230 40 N HA -0.004 4.736 4.740 -0.000 0.000 0.202 40 N C 0.884 176.358 175.510 -0.060 0.000 1.119 40 N CA 0.175 53.159 53.050 -0.110 0.000 0.851 40 N CB 0.548 38.782 38.487 -0.422 0.000 0.990 40 N HN 0.324 nan 8.380 nan 0.000 0.497 41 K N 1.945 122.320 120.400 -0.041 0.000 2.063 41 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 41 K C 1.150 177.756 176.600 0.010 0.000 1.048 41 K CA 1.340 57.617 56.287 -0.017 0.000 0.928 41 K CB 0.062 32.554 32.500 -0.013 0.000 0.713 41 K HN 0.178 nan 8.250 nan 0.000 0.442 42 N N 0.480 119.194 118.700 0.025 0.000 2.461 42 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 42 N C 0.758 176.306 175.510 0.063 0.000 1.134 42 N CA 0.467 53.537 53.050 0.033 0.000 0.878 42 N CB -0.010 38.497 38.487 0.034 0.000 0.972 42 N HN 0.233 nan 8.380 nan 0.000 0.456 43 R N -0.575 119.989 120.500 0.107 0.000 2.362 43 R HA 0.231 4.571 4.340 -0.000 0.000 0.227 43 R C -0.443 175.960 176.300 0.171 0.000 0.905 43 R CA -0.148 56.059 56.100 0.179 0.000 1.067 43 R CB 0.200 30.693 30.300 0.322 0.000 1.078 43 R HN 0.155 nan 8.270 nan 0.000 0.516 44 N N 0.816 119.582 118.700 0.110 0.000 2.372 44 N HA 0.116 4.856 4.740 -0.000 0.000 0.291 44 N C 0.152 175.642 175.510 -0.034 0.000 1.024 44 N CA -0.196 52.900 53.050 0.077 0.000 0.873 44 N CB 2.140 40.683 38.487 0.094 0.000 1.206 44 N HN 0.017 nan 8.380 nan 0.000 0.486 45 R N 1.889 122.318 120.500 -0.119 0.000 2.093 45 R HA 0.022 4.361 4.340 -0.000 0.000 0.224 45 R C -0.387 175.597 176.300 -0.525 0.000 1.101 45 R CA 1.281 57.157 56.100 -0.372 0.000 0.979 45 R CB 0.229 30.215 30.300 -0.524 0.000 0.877 45 R HN 0.489 nan 8.270 nan 0.000 0.441 46 Y N -0.745 119.567 120.300 0.019 0.000 2.425 46 Y HA 0.384 4.934 4.550 -0.000 0.000 0.344 46 Y C 0.660 176.572 175.900 0.021 0.000 0.969 46 Y CA -1.062 57.048 58.100 0.016 0.000 1.052 46 Y CB 1.738 40.204 38.460 0.010 0.000 1.215 46 Y HN -0.211 nan 8.280 nan 0.000 0.451 47 R N 0.647 121.246 120.500 0.165 0.000 2.148 47 R HA -0.113 4.227 4.340 -0.000 0.000 0.227 47 R C 0.511 176.870 176.300 0.098 0.000 1.103 47 R CA 1.618 57.778 56.100 0.100 0.000 0.983 47 R CB 0.056 30.400 30.300 0.073 0.000 0.874 47 R HN 0.769 nan 8.270 nan 0.000 0.451 48 D N -0.644 119.825 120.400 0.114 0.000 2.340 48 D HA -0.001 4.639 4.640 -0.000 0.000 0.217 48 D C -0.156 176.184 176.300 0.066 0.000 1.081 48 D CA 0.113 54.157 54.000 0.074 0.000 0.842 48 D CB 0.405 41.233 40.800 0.048 0.000 0.934 48 D HN -0.127 nan 8.370 nan 0.000 0.511 49 V N 0.815 120.791 119.914 0.103 0.000 2.357 49 V HA 0.401 4.521 4.120 -0.000 0.000 0.281 49 V C -0.473 175.666 176.094 0.075 0.000 1.015 49 V CA -0.520 61.826 62.300 0.076 0.000 0.827 49 V CB 1.375 33.266 31.823 0.112 0.000 1.018 49 V HN 0.053 nan 8.190 nan 0.000 0.432 50 S N 6.263 121.977 115.700 0.024 0.000 2.570 50 S HA 0.693 5.163 4.470 -0.000 0.000 0.286 50 S C -2.916 171.646 174.600 -0.062 0.000 1.099 50 S CA -1.145 57.081 58.200 0.042 0.000 0.913 50 S CB 2.897 66.142 63.200 0.074 0.000 1.085 50 S HN 0.569 nan 8.310 nan 0.000 0.480 51 P HA 0.385 nan 4.420 nan 0.000 0.284 51 P C -1.008 176.292 177.300 -0.001 0.000 1.253 51 P CA -0.475 62.571 63.100 -0.091 0.000 0.800 51 P CB 0.266 31.964 31.700 -0.004 0.000 0.961 52 F N 1.449 121.431 119.950 0.054 0.000 2.506 52 F HA 0.024 4.551 4.527 -0.000 0.000 0.351 52 F C 1.921 177.722 175.800 0.002 0.000 1.136 52 F CA 0.254 58.288 58.000 0.056 0.000 1.298 52 F CB -0.415 38.605 39.000 0.034 0.000 1.145 52 F HN 0.308 nan 8.300 nan 0.000 0.593 53 D N 0.382 120.946 120.400 0.274 0.000 2.123 53 D HA -0.233 4.407 4.640 -0.000 0.000 0.196 53 D C 2.027 178.399 176.300 0.121 0.000 0.992 53 D CA 2.168 56.270 54.000 0.171 0.000 0.833 53 D CB -0.477 40.417 40.800 0.155 0.000 0.954 53 D HN 0.807 nan 8.370 nan 0.000 0.455 54 H N -0.011 119.104 119.070 0.074 0.000 2.491 54 H HA 0.044 4.600 4.556 -0.000 0.000 0.290 54 H C 1.415 176.777 175.328 0.057 0.000 1.050 54 H CA 1.748 57.792 56.048 -0.006 0.000 1.309 54 H CB -0.109 29.540 29.762 -0.189 0.000 1.392 54 H HN 0.053 nan 8.280 nan 0.000 0.554 55 S N 0.258 115.701 115.700 -0.427 0.000 2.629 55 S HA 0.152 4.622 4.470 -0.000 0.000 0.236 55 S C 0.720 175.300 174.600 -0.033 0.000 1.010 55 S CA -0.796 57.303 58.200 -0.168 0.000 0.981 55 S CB -0.014 63.094 63.200 -0.153 0.000 0.919 55 S HN 0.619 nan 8.310 nan 0.000 0.514 56 R N 1.122 121.614 120.500 -0.014 0.000 2.694 56 R HA 0.351 4.691 4.340 -0.000 0.000 0.268 56 R C -0.340 175.954 176.300 -0.011 0.000 1.061 56 R CA -0.532 55.566 56.100 -0.003 0.000 1.133 56 R CB 0.170 30.497 30.300 0.045 0.000 1.020 56 R HN 0.116 nan 8.270 nan 0.000 0.475 57 I N 2.152 122.689 120.570 -0.055 0.000 2.395 57 I HA 0.171 4.341 4.170 -0.000 0.000 0.289 57 I C 0.309 176.391 176.117 -0.059 0.000 1.023 57 I CA -0.402 60.863 61.300 -0.058 0.000 1.350 57 I CB 1.172 39.108 38.000 -0.107 0.000 1.409 57 I HN 0.639 nan 8.210 nan 0.000 0.507 58 K N 6.549 126.949 120.400 0.001 0.000 2.185 58 K HA 0.562 4.882 4.320 -0.000 0.000 0.269 58 K C -0.610 176.019 176.600 0.050 0.000 0.987 58 K CA -0.714 55.592 56.287 0.031 0.000 0.865 58 K CB 1.911 34.461 32.500 0.082 0.000 1.090 58 K HN 0.402 nan 8.250 nan 0.000 0.450 59 L N 2.895 124.120 121.223 0.004 0.000 2.417 59 L HA 0.163 4.503 4.340 -0.000 0.000 0.268 59 L C 0.545 177.510 176.870 0.160 0.000 1.158 59 L CA -0.340 54.492 54.840 -0.013 0.000 0.819 59 L CB 0.298 42.318 42.059 -0.065 0.000 1.112 59 L HN 0.611 nan 8.230 nan 0.000 0.458 60 H N 2.281 121.363 119.070 0.020 0.000 2.768 60 H HA 0.129 4.685 4.556 -0.000 0.000 0.219 60 H C -0.542 174.805 175.328 0.032 0.000 1.898 60 H CA -0.465 55.602 56.048 0.032 0.000 1.313 60 H CB -0.009 29.785 29.762 0.053 0.000 1.701 60 H HN 0.478 nan 8.280 nan 0.000 0.534 61 Q N 0.048 119.925 119.800 0.130 0.000 2.271 61 Q HA 0.147 4.487 4.340 -0.000 0.000 0.268 61 Q C 0.146 176.181 176.000 0.057 0.000 1.021 61 Q CA -0.967 54.885 55.803 0.082 0.000 0.802 61 Q CB 1.558 30.334 28.738 0.063 0.000 1.282 61 Q HN 0.298 nan 8.270 nan 0.000 0.431 62 E N 2.198 122.427 120.200 0.047 0.000 2.160 62 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 62 E C 0.808 177.428 176.600 0.032 0.000 0.991 62 E CA 2.094 58.515 56.400 0.036 0.000 0.810 62 E CB -0.165 29.553 29.700 0.030 0.000 0.742 62 E HN 0.789 nan 8.360 nan 0.000 0.466 63 D N 0.640 121.061 120.400 0.034 0.000 2.096 63 D HA -0.172 4.467 4.640 -0.000 0.000 0.200 63 D C 0.284 176.600 176.300 0.026 0.000 0.980 63 D CA 1.226 55.244 54.000 0.031 0.000 0.860 63 D CB -0.613 40.209 40.800 0.037 0.000 1.005 63 D HN 0.177 nan 8.370 nan 0.000 0.449 64 N N 0.509 119.220 118.700 0.018 0.000 2.519 64 N HA 0.095 4.835 4.740 -0.000 0.000 0.286 64 N C -1.086 174.420 175.510 -0.007 0.000 1.079 64 N CA -0.443 52.615 53.050 0.013 0.000 0.878 64 N CB 1.699 40.189 38.487 0.006 0.000 1.375 64 N HN 0.086 nan 8.380 nan 0.000 0.514 65 D N 1.947 122.365 120.400 0.030 0.000 2.328 65 D HA -0.044 4.596 4.640 -0.000 0.000 0.226 65 D C -0.066 176.242 176.300 0.013 0.000 1.066 65 D CA -0.029 53.985 54.000 0.022 0.000 0.861 65 D CB -0.503 40.331 40.800 0.056 0.000 0.912 65 D HN 0.395 nan 8.370 nan 0.000 0.521 66 Y N 0.921 121.161 120.300 -0.099 0.000 2.316 66 Y HA 0.468 5.018 4.550 -0.000 0.000 0.331 66 Y C -0.574 175.246 175.900 -0.133 0.000 1.083 66 Y CA -0.865 57.179 58.100 -0.092 0.000 1.206 66 Y CB 0.571 38.993 38.460 -0.063 0.000 1.195 66 Y HN -0.004 nan 8.280 nan 0.000 0.497 67 I N 6.160 126.075 120.570 -1.090 0.000 2.752 67 I HA 0.255 4.425 4.170 -0.000 0.000 0.295 67 I C -1.305 174.189 176.117 -1.039 0.000 1.219 67 I CA -0.841 59.955 61.300 -0.840 0.000 1.030 67 I CB 1.566 39.333 38.000 -0.387 0.000 1.259 67 I HN 0.642 nan 8.210 nan 0.000 0.423 68 N N 6.469 124.787 118.700 -0.637 0.000 2.549 68 N HA 0.498 5.238 4.740 -0.000 0.000 0.267 68 N C -1.205 174.192 175.510 -0.189 0.000 1.182 68 N CA 0.279 53.150 53.050 -0.297 0.000 1.019 68 N CB 0.312 38.780 38.487 -0.031 0.000 1.380 68 N HN 0.681 nan 8.380 nan 0.000 0.505 69 A N 1.583 124.284 122.820 -0.197 0.000 2.589 69 A HA 0.659 4.979 4.320 -0.000 0.000 0.296 69 A C -1.082 176.445 177.584 -0.095 0.000 1.062 69 A CA -0.650 51.310 52.037 -0.127 0.000 0.686 69 A CB 1.151 20.058 19.000 -0.155 0.000 1.282 69 A HN 0.355 nan 8.150 nan 0.000 0.404 70 S N 0.330 115.998 115.700 -0.053 0.000 2.536 70 S HA 0.634 5.104 4.470 -0.000 0.000 0.287 70 S C -1.078 173.528 174.600 0.010 0.000 1.101 70 S CA -0.522 57.667 58.200 -0.019 0.000 0.950 70 S CB 1.608 64.801 63.200 -0.012 0.000 1.056 70 S HN 1.154 nan 8.310 nan 0.000 0.481 71 L N 3.793 125.029 121.223 0.022 0.000 2.260 71 L HA 0.523 4.863 4.340 -0.000 0.000 0.289 71 L C -1.146 175.701 176.870 -0.039 0.000 1.057 71 L CA -0.193 54.646 54.840 -0.001 0.000 0.811 71 L CB 0.122 42.175 42.059 -0.011 0.000 1.184 71 L HN 0.525 nan 8.230 nan 0.000 0.429 72 I N 5.714 126.242 120.570 -0.070 0.000 2.306 72 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 72 I C 0.034 175.933 176.117 -0.364 0.000 1.036 72 I CA -0.295 60.864 61.300 -0.236 0.000 1.221 72 I CB 0.848 38.889 38.000 0.068 0.000 1.385 72 I HN 0.657 nan 8.210 nan 0.000 0.472 73 K N 7.703 127.587 120.400 -0.859 0.000 2.316 73 K HA 0.433 4.753 4.320 -0.000 0.000 0.267 73 K C -0.812 175.563 176.600 -0.375 0.000 1.025 73 K CA -0.645 55.349 56.287 -0.489 0.000 0.896 73 K CB 0.909 33.191 32.500 -0.363 0.000 1.124 73 K HN 0.365 nan 8.250 nan 0.000 0.451 74 M N 4.270 123.778 119.600 -0.152 0.000 2.289 74 M HA 0.143 4.623 4.480 -0.000 0.000 0.354 74 M C 0.649 176.938 176.300 -0.020 0.000 1.210 74 M CA -0.007 55.276 55.300 -0.029 0.000 1.174 74 M CB 0.584 33.220 32.600 0.060 0.000 1.297 74 M HN 0.709 nan 8.290 nan 0.000 0.423 75 E N 1.653 121.858 120.200 0.007 0.000 2.026 75 E HA -0.265 4.085 4.350 -0.000 0.000 0.206 75 E C 1.454 178.060 176.600 0.009 0.000 1.028 75 E CA 1.926 58.333 56.400 0.013 0.000 0.845 75 E CB 0.166 29.892 29.700 0.043 0.000 0.772 75 E HN 0.714 nan 8.360 nan 0.000 0.462 76 E N 0.022 120.238 120.200 0.026 0.000 2.049 76 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 76 E C 1.949 178.554 176.600 0.008 0.000 1.007 76 E CA 1.138 57.550 56.400 0.020 0.000 0.809 76 E CB -0.122 29.596 29.700 0.031 0.000 0.749 76 E HN 0.250 nan 8.360 nan 0.000 0.450 77 A N 0.123 122.951 122.820 0.013 0.000 2.121 77 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 77 A C 0.834 178.402 177.584 -0.026 0.000 1.154 77 A CA 1.116 53.156 52.037 0.004 0.000 0.679 77 A CB -0.253 18.765 19.000 0.029 0.000 0.795 77 A HN 0.477 nan 8.150 nan 0.000 0.458 78 Q N -1.543 118.235 119.800 -0.036 0.000 2.475 78 Q HA -0.169 4.171 4.340 -0.000 0.000 0.280 78 Q C -0.574 175.362 176.000 -0.106 0.000 1.234 78 Q CA 0.652 56.419 55.803 -0.061 0.000 0.873 78 Q CB -0.968 27.741 28.738 -0.049 0.000 1.256 78 Q HN 0.569 nan 8.270 nan 0.000 0.475 79 R N -0.147 120.266 120.500 -0.144 0.000 2.686 79 R HA 0.668 5.008 4.340 -0.000 0.000 0.286 79 R C -0.714 175.354 176.300 -0.387 0.000 0.969 79 R CA -0.615 55.304 56.100 -0.302 0.000 0.898 79 R CB 2.329 32.425 30.300 -0.341 0.000 1.183 79 R HN -0.005 nan 8.270 nan 0.000 0.456 80 S N 1.688 117.081 115.700 -0.512 0.000 2.526 80 S HA 0.735 5.205 4.470 -0.000 0.000 0.293 80 S C -1.582 172.716 174.600 -0.504 0.000 1.092 80 S CA -0.538 57.433 58.200 -0.383 0.000 0.980 80 S CB 1.278 64.352 63.200 -0.210 0.000 1.048 80 S HN 0.392 nan 8.310 nan 0.000 0.483 81 Y N 0.647 120.916 120.300 -0.052 0.000 2.534 81 Y HA 0.571 5.121 4.550 -0.000 0.000 0.345 81 Y C -0.429 175.451 175.900 -0.033 0.000 1.031 81 Y CA -0.936 57.157 58.100 -0.013 0.000 1.022 81 Y CB 0.977 39.460 38.460 0.038 0.000 1.292 81 Y HN 0.439 nan 8.280 nan 0.000 0.459 82 I N 3.905 124.551 120.570 0.127 0.000 2.339 82 I HA 0.290 4.459 4.170 -0.000 0.000 0.290 82 I C -1.161 174.990 176.117 0.056 0.000 0.994 82 I CA -0.627 60.697 61.300 0.041 0.000 1.191 82 I CB 1.035 39.011 38.000 -0.039 0.000 1.343 82 I HN 0.335 nan 8.210 nan 0.000 0.458 83 L N 6.192 127.442 121.223 0.045 0.000 2.295 83 L HA 0.586 4.926 4.340 -0.000 0.000 0.285 83 L C 0.129 177.008 176.870 0.016 0.000 1.035 83 L CA 0.215 55.079 54.840 0.040 0.000 0.806 83 L CB 1.750 43.830 42.059 0.035 0.000 1.214 83 L HN 0.526 nan 8.230 nan 0.000 0.426 84 T N 1.789 116.367 114.554 0.041 0.000 2.864 84 T HA 0.459 4.809 4.350 -0.000 0.000 0.299 84 T C -1.038 173.692 174.700 0.050 0.000 1.166 84 T CA -0.690 61.420 62.100 0.018 0.000 1.007 84 T CB 1.329 70.195 68.868 -0.005 0.000 1.219 84 T HN 0.645 nan 8.240 nan 0.000 0.506 85 Q N 1.245 121.049 119.800 0.005 0.000 2.382 85 Q HA 0.575 4.914 4.340 -0.000 0.000 0.229 85 Q C 0.596 176.527 176.000 -0.115 0.000 1.006 85 Q CA -0.830 54.979 55.803 0.010 0.000 0.916 85 Q CB 0.176 28.917 28.738 0.004 0.000 1.235 85 Q HN 0.748 nan 8.270 nan 0.000 0.512 86 G N 2.013 110.758 108.800 -0.092 0.000 2.340 86 G HA2 0.250 4.210 3.960 -0.000 0.000 0.245 86 G HA3 0.250 4.210 3.960 -0.000 0.000 0.245 86 G C -2.207 172.462 174.900 -0.385 0.000 1.294 86 G CA -0.941 43.967 45.100 -0.319 0.000 0.896 86 G HN 0.558 nan 8.290 nan 0.000 0.522 87 P HA 0.061 nan 4.420 nan 0.000 0.267 87 P C 0.055 177.219 177.300 -0.227 0.000 1.200 87 P CA 0.037 62.860 63.100 -0.461 0.000 0.772 87 P CB 1.067 32.320 31.700 -0.746 0.000 0.855 88 L N 4.401 125.534 121.223 -0.150 0.000 2.416 88 L HA 0.286 4.626 4.340 -0.000 0.000 0.262 88 L C -1.123 175.712 176.870 -0.058 0.000 1.093 88 L CA -2.218 52.568 54.840 -0.090 0.000 0.801 88 L CB 0.675 42.693 42.059 -0.068 0.000 1.191 88 L HN 0.192 nan 8.230 nan 0.000 0.459 89 P HA -0.169 nan 4.420 nan 0.000 0.217 89 P C 0.501 177.795 177.300 -0.010 0.000 1.151 89 P CA 1.338 64.431 63.100 -0.012 0.000 0.849 89 P CB -0.002 31.690 31.700 -0.014 0.000 0.787 90 N N -2.104 116.581 118.700 -0.025 0.000 2.280 90 N HA 0.008 4.748 4.740 -0.000 0.000 0.192 90 N C 0.591 176.018 175.510 -0.139 0.000 1.109 90 N CA 0.812 53.837 53.050 -0.042 0.000 0.855 90 N CB -0.722 37.766 38.487 0.002 0.000 0.974 90 N HN 0.175 nan 8.380 nan 0.000 0.482 91 T N -4.034 110.443 114.554 -0.128 0.000 3.132 91 T HA 0.239 4.588 4.350 -0.000 0.000 0.274 91 T C 1.384 175.964 174.700 -0.201 0.000 1.011 91 T CA -0.323 61.662 62.100 -0.191 0.000 0.899 91 T CB -0.920 67.976 68.868 0.047 0.000 1.089 91 T HN 0.096 nan 8.240 nan 0.000 0.543 92 C N 1.383 120.590 119.300 -0.155 0.000 2.440 92 C HA 0.197 4.657 4.460 -0.000 0.000 0.278 92 C C 3.040 177.851 174.990 -0.300 0.000 1.295 92 C CA 0.856 59.786 59.018 -0.146 0.000 1.738 92 C CB -1.290 26.534 27.740 0.140 0.000 1.987 92 C HN 0.775 nan 8.230 nan 0.000 0.492 93 G N -0.495 108.159 108.800 -0.244 0.000 2.408 93 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 93 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 93 G C 1.122 175.973 174.900 -0.082 0.000 1.150 93 G CA 0.738 45.717 45.100 -0.201 0.000 0.776 93 G HN 0.731 nan 8.290 nan 0.000 0.542 94 H N -1.217 117.829 119.070 -0.040 0.000 2.353 94 H HA -0.021 4.535 4.556 -0.000 0.000 0.300 94 H C 2.206 177.459 175.328 -0.124 0.000 1.090 94 H CA 1.015 57.026 56.048 -0.062 0.000 1.327 94 H CB -0.141 29.584 29.762 -0.062 0.000 1.383 94 H HN 0.354 nan 8.280 nan 0.000 0.508 95 F N 0.499 120.310 119.950 -0.232 0.000 2.069 95 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 95 F C 1.612 177.140 175.800 -0.453 0.000 1.113 95 F CA 1.540 59.266 58.000 -0.457 0.000 1.214 95 F CB -0.438 38.103 39.000 -0.764 0.000 0.978 95 F HN 0.124 nan 8.300 nan 0.000 0.474 96 W N 0.752 122.002 121.300 -0.083 0.000 2.467 96 W HA -0.062 4.597 4.660 -0.000 0.000 0.275 96 W C 2.523 179.001 176.519 -0.068 0.000 1.239 96 W CA 0.977 58.259 57.345 -0.105 0.000 1.266 96 W CB -0.397 28.962 29.460 -0.168 0.000 1.112 96 W HN 0.169 nan 8.180 nan 0.000 0.576 97 E N 0.797 121.059 120.200 0.103 0.000 2.072 97 E HA -0.273 4.077 4.350 -0.000 0.000 0.191 97 E C 2.137 178.750 176.600 0.022 0.000 0.985 97 E CA 1.464 57.923 56.400 0.098 0.000 0.801 97 E CB -0.329 29.411 29.700 0.067 0.000 0.750 97 E HN 0.299 nan 8.360 nan 0.000 0.452 98 M N 0.417 119.940 119.600 -0.128 0.000 2.086 98 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 98 M C 2.096 178.270 176.300 -0.209 0.000 1.067 98 M CA 1.378 56.545 55.300 -0.223 0.000 1.116 98 M CB 0.004 32.403 32.600 -0.335 0.000 1.348 98 M HN 0.082 nan 8.290 nan 0.000 0.407 99 V N 0.243 120.002 119.914 -0.258 0.000 2.282 99 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 99 V C 2.152 178.252 176.094 0.011 0.000 1.057 99 V CA 2.360 64.574 62.300 -0.142 0.000 1.032 99 V CB -1.135 30.676 31.823 -0.020 0.000 0.645 99 V HN 0.774 nan 8.190 nan 0.000 0.447 100 W N 1.148 122.439 121.300 -0.016 0.000 2.354 100 W HA -0.168 4.492 4.660 -0.000 0.000 0.315 100 W C 2.386 178.878 176.519 -0.044 0.000 1.206 100 W CA 2.097 59.446 57.345 0.006 0.000 1.290 100 W CB -0.256 29.221 29.460 0.029 0.000 1.152 100 W HN 0.356 nan 8.180 nan 0.000 0.489 101 E N -0.256 119.973 120.200 0.048 0.000 2.110 101 E HA -0.246 4.103 4.350 -0.000 0.000 0.193 101 E C 1.982 178.488 176.600 -0.157 0.000 0.988 101 E CA 1.108 57.439 56.400 -0.116 0.000 0.804 101 E CB -0.258 29.176 29.700 -0.443 0.000 0.745 101 E HN 0.213 nan 8.360 nan 0.000 0.458 102 Q N 0.216 119.922 119.800 -0.155 0.000 2.444 102 Q HA 0.030 4.370 4.340 -0.000 0.000 0.206 102 Q C 0.071 176.001 176.000 -0.118 0.000 0.948 102 Q CA 0.311 56.044 55.803 -0.117 0.000 0.946 102 Q CB 0.343 29.009 28.738 -0.120 0.000 1.027 102 Q HN 0.219 nan 8.270 nan 0.000 0.513 103 K N 0.177 120.468 120.400 -0.181 0.000 3.160 103 K HA -0.105 4.215 4.320 -0.000 0.000 0.280 103 K C -0.525 176.013 176.600 -0.103 0.000 1.154 103 K CA 0.361 56.535 56.287 -0.187 0.000 0.822 103 K CB -1.889 30.529 32.500 -0.137 0.000 1.239 103 K HN 0.086 nan 8.250 nan 0.000 0.489 104 S N 0.318 115.960 115.700 -0.097 0.000 2.572 104 S HA 0.141 4.611 4.470 -0.000 0.000 0.279 104 S C 1.226 175.783 174.600 -0.071 0.000 1.341 104 S CA -0.281 57.881 58.200 -0.062 0.000 1.043 104 S CB 1.594 64.755 63.200 -0.065 0.000 0.887 104 S HN 0.413 nan 8.310 nan 0.000 0.516 105 R N 1.551 121.980 120.500 -0.119 0.000 2.250 105 R HA 0.284 4.623 4.340 -0.000 0.000 0.194 105 R C 0.591 176.865 176.300 -0.042 0.000 0.927 105 R CA 0.688 56.659 56.100 -0.214 0.000 1.052 105 R CB -0.089 29.780 30.300 -0.719 0.000 1.055 105 R HN 0.679 nan 8.270 nan 0.000 0.537 106 G N -0.475 108.340 108.800 0.025 0.000 2.563 106 G HA2 0.586 4.546 3.960 -0.000 0.000 0.302 106 G HA3 0.586 4.546 3.960 -0.000 0.000 0.302 106 G C -1.748 173.244 174.900 0.155 0.000 1.301 106 G CA -0.497 44.689 45.100 0.144 0.000 0.965 106 G HN -0.001 nan 8.290 nan 0.000 0.480 107 V N 0.814 120.863 119.914 0.225 0.000 2.531 107 V HA 0.511 4.631 4.120 -0.000 0.000 0.301 107 V C -0.466 175.689 176.094 0.102 0.000 1.034 107 V CA -0.685 61.748 62.300 0.223 0.000 0.865 107 V CB 1.786 33.882 31.823 0.455 0.000 0.995 107 V HN 0.561 nan 8.190 nan 0.000 0.424 108 V N 6.085 126.001 119.914 0.004 0.000 2.384 108 V HA 0.506 4.626 4.120 -0.000 0.000 0.287 108 V C -0.132 175.815 176.094 -0.245 0.000 1.020 108 V CA -0.347 61.878 62.300 -0.125 0.000 0.850 108 V CB 1.562 33.142 31.823 -0.404 0.000 0.987 108 V HN 0.905 nan 8.190 nan 0.000 0.436 109 M N 5.916 125.338 119.600 -0.297 0.000 2.167 109 M HA 0.523 5.003 4.480 -0.000 0.000 0.333 109 M C -0.580 175.594 176.300 -0.209 0.000 1.030 109 M CA -0.399 54.582 55.300 -0.532 0.000 0.963 109 M CB 1.251 33.512 32.600 -0.565 0.000 1.589 109 M HN 0.575 nan 8.290 nan 0.000 0.431 110 L N 4.720 125.801 121.223 -0.237 0.000 2.857 110 L HA 0.308 4.648 4.340 -0.000 0.000 0.249 110 L C 0.120 177.001 176.870 0.019 0.000 1.172 110 L CA -0.394 54.430 54.840 -0.027 0.000 0.980 110 L CB -0.578 41.426 42.059 -0.090 0.000 1.299 110 L HN 0.699 nan 8.230 nan 0.000 0.535 111 N N -0.374 118.350 118.700 0.039 0.000 2.509 111 N HA 0.445 5.185 4.740 -0.000 0.000 0.280 111 N C -0.791 174.878 175.510 0.266 0.000 1.306 111 N CA -0.859 52.246 53.050 0.092 0.000 0.782 111 N CB 1.650 40.161 38.487 0.040 0.000 1.493 111 N HN -0.069 nan 8.380 nan 0.000 0.498 112 R N -0.205 120.422 120.500 0.211 0.000 2.573 112 R HA 0.386 4.725 4.340 -0.000 0.000 0.272 112 R C 1.248 177.678 176.300 0.216 0.000 1.009 112 R CA -0.844 55.414 56.100 0.263 0.000 1.059 112 R CB 1.548 31.929 30.300 0.135 0.000 1.112 112 R HN 0.318 nan 8.270 nan 0.000 0.517 113 V N 1.439 121.495 119.914 0.238 0.000 2.392 113 V HA -0.184 3.935 4.120 -0.000 0.000 0.249 113 V C 0.999 177.148 176.094 0.092 0.000 1.059 113 V CA 1.640 64.037 62.300 0.162 0.000 1.051 113 V CB -0.275 31.612 31.823 0.106 0.000 0.658 113 V HN 0.649 nan 8.190 nan 0.000 0.455 114 M N -0.032 119.612 119.600 0.073 0.000 2.253 114 M HA 0.495 4.975 4.480 -0.000 0.000 0.314 114 M C -1.110 175.209 176.300 0.032 0.000 1.019 114 M CA -0.094 55.230 55.300 0.041 0.000 0.932 114 M CB 1.861 34.475 32.600 0.024 0.000 1.606 114 M HN 0.114 nan 8.290 nan 0.000 0.430 115 E N 3.381 123.588 120.200 0.012 0.000 2.356 115 E HA 0.357 4.707 4.350 -0.000 0.000 0.275 115 E C -1.032 175.542 176.600 -0.043 0.000 0.904 115 E CA -0.874 55.514 56.400 -0.020 0.000 0.757 115 E CB 1.988 31.665 29.700 -0.038 0.000 1.232 115 E HN 0.739 nan 8.360 nan 0.000 0.442 116 K N 0.619 120.980 120.400 -0.065 0.000 3.016 116 K HA -0.281 4.039 4.320 -0.000 0.000 0.262 116 K C 0.611 177.211 176.600 -0.000 0.000 1.043 116 K CA 0.647 56.900 56.287 -0.056 0.000 0.761 116 K CB -1.568 30.846 32.500 -0.143 0.000 1.230 116 K HN 1.084 nan 8.250 nan 0.000 0.485 117 G N -0.791 108.014 108.800 0.008 0.000 2.166 117 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.260 117 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.260 117 G C -0.036 174.872 174.900 0.014 0.000 0.986 117 G CA 0.673 45.782 45.100 0.016 0.000 0.683 117 G HN 0.428 nan 8.290 nan 0.000 0.527 118 S N -0.813 114.894 115.700 0.011 0.000 2.599 118 S HA 0.743 5.213 4.470 -0.000 0.000 0.287 118 S C -0.463 174.147 174.600 0.016 0.000 1.105 118 S CA -0.895 57.314 58.200 0.014 0.000 0.899 118 S CB 1.883 65.096 63.200 0.021 0.000 1.100 118 S HN 0.273 nan 8.310 nan 0.000 0.482 119 L N 2.909 124.140 121.223 0.013 0.000 2.361 119 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 119 L C 1.257 178.142 176.870 0.024 0.000 1.113 119 L CA 0.361 55.210 54.840 0.015 0.000 0.849 119 L CB 0.228 42.287 42.059 0.001 0.000 1.155 119 L HN 0.601 nan 8.230 nan 0.000 0.452 120 K N 2.239 122.667 120.400 0.046 0.000 2.356 120 K HA 0.194 4.514 4.320 -0.000 0.000 0.195 120 K C 0.201 176.839 176.600 0.062 0.000 1.037 120 K CA 0.337 56.663 56.287 0.065 0.000 1.014 120 K CB 0.134 32.680 32.500 0.078 0.000 0.815 120 K HN 0.803 nan 8.250 nan 0.000 0.507 121 C N -2.737 116.601 119.300 0.063 0.000 3.253 121 C HA 0.748 5.208 4.460 -0.000 0.000 0.342 121 C C -0.462 174.565 174.990 0.062 0.000 1.306 121 C CA -1.500 57.548 59.018 0.049 0.000 1.207 121 C CB 0.607 28.405 27.740 0.097 0.000 1.479 121 C HN 0.248 nan 8.230 nan 0.000 0.469 122 A N 0.870 123.717 122.820 0.044 0.000 2.366 122 A HA 0.567 4.887 4.320 -0.000 0.000 0.249 122 A C 0.288 177.918 177.584 0.077 0.000 1.084 122 A CA 0.117 52.180 52.037 0.044 0.000 0.794 122 A CB 0.224 19.243 19.000 0.032 0.000 1.034 122 A HN 1.266 nan 8.150 nan 0.000 0.491 123 Q N 1.079 120.837 119.800 -0.069 0.000 2.513 123 Q HA 0.220 4.560 4.340 -0.000 0.000 0.227 123 Q C -0.238 175.647 176.000 -0.191 0.000 1.257 123 Q CA 0.405 56.010 55.803 -0.330 0.000 0.915 123 Q CB -0.612 27.905 28.738 -0.367 0.000 1.507 123 Q HN 0.701 nan 8.270 nan 0.000 0.543 124 Y N 1.349 121.629 120.300 -0.033 0.000 2.466 124 Y HA 0.332 4.882 4.550 -0.000 0.000 0.272 124 Y C -0.580 175.658 175.900 0.562 0.000 1.169 124 Y CA -1.167 57.081 58.100 0.245 0.000 1.285 124 Y CB -0.362 38.140 38.460 0.071 0.000 1.078 124 Y HN 0.403 nan 8.280 nan 0.000 0.523 125 W N 0.381 121.608 121.300 -0.121 0.000 2.962 125 W HA 0.786 5.446 4.660 -0.000 0.000 0.341 125 W C -3.177 173.281 176.519 -0.102 0.000 1.155 125 W CA -3.177 54.123 57.345 -0.074 0.000 1.165 125 W CB 0.728 30.005 29.460 -0.306 0.000 1.435 125 W HN -0.332 nan 8.180 nan 0.000 0.546 126 P HA 0.085 nan 4.420 nan 0.000 0.275 126 P C -0.365 176.878 177.300 -0.094 0.000 1.227 126 P CA 0.270 63.301 63.100 -0.114 0.000 0.781 126 P CB 1.670 33.337 31.700 -0.054 0.000 0.906 127 Q N 0.964 120.664 119.800 -0.166 0.000 2.384 127 Q HA 0.124 4.464 4.340 -0.000 0.000 0.207 127 Q C 0.197 176.180 176.000 -0.027 0.000 0.904 127 Q CA 0.633 56.382 55.803 -0.090 0.000 0.933 127 Q CB 0.430 29.071 28.738 -0.162 0.000 1.077 127 Q HN 0.472 nan 8.270 nan 0.000 0.522 128 K N 0.054 120.429 120.400 -0.041 0.000 2.427 128 K HA 0.186 4.506 4.320 -0.000 0.000 0.252 128 K C -0.324 176.261 176.600 -0.026 0.000 0.931 128 K CA -0.375 55.895 56.287 -0.029 0.000 0.793 128 K CB 1.923 34.398 32.500 -0.042 0.000 1.211 128 K HN -0.176 nan 8.250 nan 0.000 0.426 129 E N 1.594 121.784 120.200 -0.016 0.000 2.065 129 E HA -0.270 4.080 4.350 -0.000 0.000 0.201 129 E C 1.417 177.999 176.600 -0.029 0.000 1.016 129 E CA 1.849 58.238 56.400 -0.017 0.000 0.818 129 E CB 0.153 29.846 29.700 -0.013 0.000 0.749 129 E HN 0.605 nan 8.360 nan 0.000 0.453 130 E N 0.337 120.518 120.200 -0.031 0.000 2.511 130 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 130 E C -0.059 176.512 176.600 -0.049 0.000 1.066 130 E CA 0.629 57.007 56.400 -0.037 0.000 0.871 130 E CB 0.189 29.869 29.700 -0.032 0.000 0.863 130 E HN -0.022 nan 8.360 nan 0.000 0.520 131 K N 2.805 123.171 120.400 -0.057 0.000 2.606 131 K HA 0.120 4.440 4.320 -0.000 0.000 0.196 131 K C 0.207 176.753 176.600 -0.090 0.000 1.048 131 K CA -0.243 55.999 56.287 -0.074 0.000 1.017 131 K CB 0.910 33.363 32.500 -0.079 0.000 1.413 131 K HN 0.286 nan 8.250 nan 0.000 0.568 132 E N 2.038 122.182 120.200 -0.092 0.000 2.391 132 E HA 0.175 4.525 4.350 -0.000 0.000 0.255 132 E C -0.448 176.053 176.600 -0.165 0.000 1.187 132 E CA -0.153 56.180 56.400 -0.111 0.000 0.941 132 E CB 0.955 30.595 29.700 -0.099 0.000 1.010 132 E HN 0.187 nan 8.360 nan 0.000 0.458 133 M N 1.169 120.638 119.600 -0.219 0.000 2.436 133 M HA 0.401 4.881 4.480 -0.000 0.000 0.331 133 M C -0.567 175.429 176.300 -0.505 0.000 1.135 133 M CA -0.913 54.152 55.300 -0.393 0.000 0.987 133 M CB 1.731 34.051 32.600 -0.467 0.000 1.687 133 M HN 0.345 nan 8.290 nan 0.000 0.445 134 I N 2.944 123.181 120.570 -0.554 0.000 2.406 134 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 134 I C -1.153 174.620 176.117 -0.573 0.000 0.999 134 I CA -0.424 60.622 61.300 -0.422 0.000 1.124 134 I CB 1.359 39.230 38.000 -0.216 0.000 1.289 134 I HN 0.606 nan 8.210 nan 0.000 0.441 135 F N 5.036 124.976 119.950 -0.016 0.000 2.293 135 F HA 0.329 4.856 4.527 -0.000 0.000 0.370 135 F C 1.670 177.468 175.800 -0.003 0.000 1.090 135 F CA -0.506 57.501 58.000 0.011 0.000 1.133 135 F CB 0.801 39.841 39.000 0.066 0.000 1.360 135 F HN 0.445 nan 8.300 nan 0.000 0.489 136 E N 1.650 121.893 120.200 0.072 0.000 2.058 136 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 136 E C 1.730 178.372 176.600 0.070 0.000 0.997 136 E CA 1.779 58.205 56.400 0.043 0.000 0.801 136 E CB -0.223 29.486 29.700 0.016 0.000 0.746 136 E HN 0.713 nan 8.360 nan 0.000 0.450 137 D N 0.801 121.257 120.400 0.094 0.000 2.182 137 D HA -0.143 4.496 4.640 -0.000 0.000 0.201 137 D C 1.654 178.018 176.300 0.107 0.000 0.986 137 D CA 2.019 56.076 54.000 0.094 0.000 0.847 137 D CB -0.617 40.237 40.800 0.090 0.000 0.942 137 D HN 0.288 nan 8.370 nan 0.000 0.467 138 T N -4.114 110.516 114.554 0.127 0.000 3.085 138 T HA 0.136 4.486 4.350 -0.000 0.000 0.264 138 T C 0.537 175.271 174.700 0.055 0.000 1.019 138 T CA -0.107 62.054 62.100 0.102 0.000 0.910 138 T CB -0.713 68.227 68.868 0.120 0.000 1.059 138 T HN 0.299 nan 8.240 nan 0.000 0.542 139 N N 0.889 119.624 118.700 0.058 0.000 2.714 139 N HA -0.124 4.616 4.740 -0.000 0.000 0.253 139 N C -1.150 174.341 175.510 -0.032 0.000 1.024 139 N CA 0.116 53.169 53.050 0.005 0.000 0.726 139 N CB -0.918 37.552 38.487 -0.029 0.000 0.908 139 N HN 0.552 nan 8.380 nan 0.000 0.542 140 L N 0.606 121.861 121.223 0.053 0.000 2.370 140 L HA 0.488 4.828 4.340 -0.000 0.000 0.266 140 L C -0.037 176.887 176.870 0.090 0.000 1.002 140 L CA -0.736 54.127 54.840 0.038 0.000 0.818 140 L CB 2.120 44.251 42.059 0.120 0.000 1.325 140 L HN 0.040 nan 8.230 nan 0.000 0.418 141 K N 2.467 122.865 120.400 -0.004 0.000 2.270 141 K HA 0.682 5.002 4.320 -0.000 0.000 0.255 141 K C -1.754 174.817 176.600 -0.049 0.000 0.936 141 K CA -0.671 55.588 56.287 -0.046 0.000 0.809 141 K CB 1.942 34.399 32.500 -0.070 0.000 1.131 141 K HN 0.397 nan 8.250 nan 0.000 0.427 142 L N 2.995 124.168 121.223 -0.084 0.000 2.381 142 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 142 L C -1.452 175.348 176.870 -0.118 0.000 0.988 142 L CA 0.131 54.885 54.840 -0.143 0.000 0.824 142 L CB 2.193 44.124 42.059 -0.214 0.000 1.263 142 L HN 0.660 nan 8.230 nan 0.000 0.410 143 T N 5.269 119.766 114.554 -0.096 0.000 2.848 143 T HA 0.456 4.806 4.350 -0.000 0.000 0.285 143 T C -0.840 173.837 174.700 -0.037 0.000 0.995 143 T CA -0.415 61.649 62.100 -0.061 0.000 0.970 143 T CB 1.499 70.340 68.868 -0.045 0.000 0.976 143 T HN 0.536 nan 8.240 nan 0.000 0.441 144 L N 4.589 125.804 121.223 -0.013 0.000 2.361 144 L HA 0.303 4.642 4.340 -0.000 0.000 0.278 144 L C 0.522 177.393 176.870 0.002 0.000 1.113 144 L CA 0.106 54.955 54.840 0.014 0.000 0.849 144 L CB -0.072 42.013 42.059 0.043 0.000 1.155 144 L HN 0.604 nan 8.230 nan 0.000 0.452 145 I N 2.367 122.938 120.570 0.002 0.000 2.927 145 I HA 0.190 4.359 4.170 -0.000 0.000 0.268 145 I C 0.720 176.838 176.117 0.001 0.000 1.153 145 I CA 0.970 62.270 61.300 -0.000 0.000 1.459 145 I CB -0.786 37.215 38.000 0.001 0.000 1.149 145 I HN 0.793 nan 8.210 nan 0.000 0.443 146 S N 0.855 116.556 115.700 0.002 0.000 2.611 146 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 146 S C -1.127 173.471 174.600 -0.003 0.000 1.131 146 S CA -0.841 57.358 58.200 -0.001 0.000 0.826 146 S CB 2.289 65.486 63.200 -0.004 0.000 1.095 146 S HN 0.285 nan 8.310 nan 0.000 0.461 147 E N 0.242 120.439 120.200 -0.006 0.000 2.354 147 E HA 0.606 4.956 4.350 -0.000 0.000 0.283 147 E C -2.267 174.314 176.600 -0.032 0.000 0.938 147 E CA -0.681 55.712 56.400 -0.013 0.000 0.777 147 E CB 1.880 31.594 29.700 0.023 0.000 1.222 147 E HN 0.462 nan 8.360 nan 0.000 0.423 148 D N 3.537 123.899 120.400 -0.064 0.000 2.469 148 D HA 0.338 4.978 4.640 -0.000 0.000 0.251 148 D C -1.039 175.158 176.300 -0.171 0.000 1.173 148 D CA -0.445 53.498 54.000 -0.095 0.000 0.882 148 D CB 1.049 41.798 40.800 -0.085 0.000 1.129 148 D HN 0.537 nan 8.370 nan 0.000 0.549 149 I N 4.278 124.757 120.570 -0.152 0.000 2.337 149 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 149 I C 0.860 176.827 176.117 -0.249 0.000 1.046 149 I CA -0.474 60.708 61.300 -0.197 0.000 1.324 149 I CB 0.624 38.554 38.000 -0.115 0.000 1.409 149 I HN 0.051 nan 8.210 nan 0.000 0.494 150 K N 3.306 123.461 120.400 -0.409 0.000 2.288 150 K HA 0.360 4.680 4.320 -0.000 0.000 0.234 150 K C 1.117 177.569 176.600 -0.245 0.000 1.037 150 K CA -0.444 55.621 56.287 -0.370 0.000 0.914 150 K CB 1.436 33.531 32.500 -0.675 0.000 1.197 150 K HN 0.589 nan 8.250 nan 0.000 0.471 151 S N -0.466 115.189 115.700 -0.076 0.000 2.402 151 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 151 S C 1.694 176.322 174.600 0.046 0.000 1.021 151 S CA 1.263 59.473 58.200 0.017 0.000 0.974 151 S CB -0.501 62.763 63.200 0.106 0.000 0.800 151 S HN 0.706 nan 8.310 nan 0.000 0.484 152 Y N -0.161 120.107 120.300 -0.052 0.000 2.500 152 Y HA 0.584 5.134 4.550 -0.000 0.000 0.246 152 Y C 0.255 176.090 175.900 -0.107 0.000 1.146 152 Y CA -1.469 56.564 58.100 -0.112 0.000 1.230 152 Y CB -0.056 38.389 38.460 -0.025 0.000 1.214 152 Y HN 0.407 nan 8.280 nan 0.000 0.526 153 Y N -1.835 118.133 120.300 -0.553 0.000 2.677 153 Y HA 0.758 5.308 4.550 -0.000 0.000 0.334 153 Y C -1.585 174.185 175.900 -0.216 0.000 1.196 153 Y CA -1.539 56.340 58.100 -0.368 0.000 1.059 153 Y CB 1.295 39.658 38.460 -0.162 0.000 1.315 153 Y HN -0.158 nan 8.280 nan 0.000 0.455 154 T N 2.612 117.095 114.554 -0.118 0.000 2.861 154 T HA 0.552 4.902 4.350 -0.000 0.000 0.287 154 T C -1.701 173.025 174.700 0.045 0.000 1.003 154 T CA -0.721 61.279 62.100 -0.168 0.000 0.977 154 T CB 1.648 70.471 68.868 -0.076 0.000 0.996 154 T HN 0.816 nan 8.240 nan 0.000 0.448 155 V N 4.700 124.575 119.914 -0.065 0.000 2.448 155 V HA 0.697 4.817 4.120 -0.000 0.000 0.295 155 V C -0.965 175.044 176.094 -0.143 0.000 1.025 155 V CA -0.669 61.548 62.300 -0.138 0.000 0.859 155 V CB 1.193 32.934 31.823 -0.138 0.000 0.988 155 V HN 0.803 nan 8.190 nan 0.000 0.431 156 R N 4.869 125.279 120.500 -0.150 0.000 2.740 156 R HA 0.583 4.923 4.340 -0.000 0.000 0.282 156 R C -1.092 175.157 176.300 -0.086 0.000 0.969 156 R CA -0.708 55.346 56.100 -0.077 0.000 0.918 156 R CB 2.334 32.609 30.300 -0.041 0.000 1.175 156 R HN 0.702 nan 8.270 nan 0.000 0.464 157 Q N 2.383 122.154 119.800 -0.048 0.000 2.290 157 Q HA 0.457 4.797 4.340 -0.000 0.000 0.259 157 Q C -0.885 175.111 176.000 -0.007 0.000 0.941 157 Q CA -0.404 55.383 55.803 -0.027 0.000 0.912 157 Q CB 1.708 30.437 28.738 -0.016 0.000 1.244 157 Q HN 0.322 nan 8.270 nan 0.000 0.441 158 L N 1.479 122.704 121.223 0.005 0.000 2.370 158 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 158 L C -0.404 176.461 176.870 -0.007 0.000 1.002 158 L CA -0.743 54.089 54.840 -0.013 0.000 0.818 158 L CB 2.191 44.229 42.059 -0.035 0.000 1.325 158 L HN 0.576 nan 8.230 nan 0.000 0.418 159 E N 2.554 122.739 120.200 -0.024 0.000 2.158 159 E HA 0.446 4.795 4.350 -0.000 0.000 0.271 159 E C -1.783 174.809 176.600 -0.014 0.000 0.911 159 E CA -0.813 55.590 56.400 0.005 0.000 0.767 159 E CB 2.057 31.763 29.700 0.010 0.000 1.120 159 E HN 0.373 nan 8.360 nan 0.000 0.405 160 L N 4.341 125.598 121.223 0.058 0.000 2.305 160 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 160 L C -0.903 176.072 176.870 0.175 0.000 1.013 160 L CA -0.245 54.647 54.840 0.085 0.000 0.819 160 L CB 1.566 43.748 42.059 0.204 0.000 1.227 160 L HN 0.634 nan 8.230 nan 0.000 0.417 161 E N 3.844 124.057 120.200 0.022 0.000 2.176 161 E HA 0.218 4.568 4.350 -0.000 0.000 0.267 161 E C -1.023 175.394 176.600 -0.304 0.000 0.893 161 E CA -0.737 55.625 56.400 -0.065 0.000 0.761 161 E CB 1.129 30.803 29.700 -0.044 0.000 1.133 161 E HN 0.598 nan 8.360 nan 0.000 0.409 162 N N 5.467 123.785 118.700 -0.637 0.000 2.402 162 N HA 0.055 4.795 4.740 -0.000 0.000 0.252 162 N C 0.795 176.101 175.510 -0.340 0.000 1.118 162 N CA 0.090 52.673 53.050 -0.777 0.000 0.945 162 N CB 0.631 38.380 38.487 -1.230 0.000 1.147 162 N HN 0.665 nan 8.380 nan 0.000 0.495 163 L N 2.304 123.393 121.223 -0.225 0.000 2.362 163 L HA -0.108 4.232 4.340 -0.000 0.000 0.219 163 L C 1.820 178.631 176.870 -0.099 0.000 1.134 163 L CA 0.819 55.584 54.840 -0.125 0.000 0.807 163 L CB -0.295 41.712 42.059 -0.088 0.000 0.927 163 L HN 0.483 nan 8.230 nan 0.000 0.447 164 T N -1.420 113.061 114.554 -0.120 0.000 2.770 164 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 164 T C 1.890 176.560 174.700 -0.049 0.000 1.039 164 T CA 1.924 63.980 62.100 -0.073 0.000 1.142 164 T CB -0.163 68.664 68.868 -0.069 0.000 0.868 164 T HN 0.515 nan 8.240 nan 0.000 0.435 165 T N -1.109 113.408 114.554 -0.061 0.000 3.022 165 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 165 T C 0.902 175.602 174.700 0.001 0.000 1.060 165 T CA 0.078 62.175 62.100 -0.007 0.000 1.013 165 T CB -0.105 68.789 68.868 0.043 0.000 0.982 165 T HN 0.400 nan 8.240 nan 0.000 0.508 166 Q N 0.303 120.082 119.800 -0.036 0.000 2.416 166 Q HA -0.160 4.180 4.340 -0.000 0.000 0.235 166 Q C -0.769 175.249 176.000 0.030 0.000 0.773 166 Q CA 0.862 56.655 55.803 -0.017 0.000 1.286 166 Q CB -1.676 27.061 28.738 -0.001 0.000 1.556 166 Q HN 0.749 nan 8.270 nan 0.000 0.650 167 E N 1.157 121.399 120.200 0.070 0.000 2.354 167 E HA 0.289 4.639 4.350 -0.000 0.000 0.269 167 E C 0.375 177.135 176.600 0.266 0.000 1.036 167 E CA 0.582 57.106 56.400 0.207 0.000 0.876 167 E CB 0.851 30.780 29.700 0.382 0.000 1.009 167 E HN 0.239 nan 8.360 nan 0.000 0.416 168 T N 0.750 115.465 114.554 0.268 0.000 2.907 168 T HA 0.694 5.044 4.350 -0.000 0.000 0.292 168 T C -0.273 174.585 174.700 0.263 0.000 1.043 168 T CA -1.096 61.162 62.100 0.264 0.000 1.003 168 T CB 1.592 70.539 68.868 0.131 0.000 1.084 168 T HN 0.374 nan 8.240 nan 0.000 0.483 169 R N 0.496 121.156 120.500 0.267 0.000 2.740 169 R HA 0.494 4.833 4.340 -0.000 0.000 0.273 169 R C -1.092 175.270 176.300 0.104 0.000 0.998 169 R CA -0.896 55.284 56.100 0.133 0.000 0.900 169 R CB 2.452 32.768 30.300 0.028 0.000 1.223 169 R HN 0.836 nan 8.270 nan 0.000 0.466 170 E N 3.022 123.257 120.200 0.059 0.000 2.197 170 E HA 0.277 4.627 4.350 -0.000 0.000 0.281 170 E C -0.702 175.924 176.600 0.044 0.000 0.995 170 E CA -0.539 55.890 56.400 0.047 0.000 0.808 170 E CB 0.821 30.541 29.700 0.035 0.000 1.093 170 E HN 0.264 nan 8.360 nan 0.000 0.394 171 I N 5.338 125.949 120.570 0.068 0.000 2.474 171 I HA 0.293 4.463 4.170 -0.000 0.000 0.294 171 I C -0.258 175.916 176.117 0.095 0.000 1.005 171 I CA -0.833 60.533 61.300 0.110 0.000 1.113 171 I CB 1.378 39.517 38.000 0.232 0.000 1.289 171 I HN 0.591 nan 8.210 nan 0.000 0.436 172 L N 5.274 126.550 121.223 0.088 0.000 2.282 172 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 172 L C 0.125 177.016 176.870 0.035 0.000 1.033 172 L CA -0.477 54.361 54.840 -0.004 0.000 0.807 172 L CB 1.008 43.073 42.059 0.010 0.000 1.209 172 L HN 0.510 nan 8.230 nan 0.000 0.423 173 H N 4.147 123.096 119.070 -0.202 0.000 2.581 173 H HA 0.326 4.882 4.556 -0.000 0.000 0.308 173 H C -1.491 173.664 175.328 -0.288 0.000 1.040 173 H CA -0.580 55.386 56.048 -0.137 0.000 1.231 173 H CB 0.923 30.578 29.762 -0.178 0.000 1.396 173 H HN 0.365 nan 8.280 nan 0.000 0.467 174 F N 4.459 124.300 119.950 -0.180 0.000 2.361 174 F HA 0.169 4.696 4.527 -0.000 0.000 0.364 174 F C 0.454 176.318 175.800 0.108 0.000 1.117 174 F CA -0.452 57.575 58.000 0.045 0.000 1.071 174 F CB 0.630 39.589 39.000 -0.069 0.000 1.188 174 F HN 0.566 nan 8.300 nan 0.000 0.464 175 H N 4.021 123.204 119.070 0.189 0.000 2.638 175 H HA 0.194 4.750 4.556 -0.000 0.000 0.303 175 H C -1.275 174.082 175.328 0.048 0.000 1.034 175 H CA -0.935 55.120 56.048 0.012 0.000 1.225 175 H CB 0.661 30.367 29.762 -0.092 0.000 1.394 175 H HN 0.618 nan 8.280 nan 0.000 0.477 176 Y N 5.130 125.314 120.300 -0.193 0.000 2.486 176 Y HA 0.025 4.575 4.550 -0.000 0.000 0.348 176 Y C 1.037 176.823 175.900 -0.191 0.000 1.000 176 Y CA 0.080 57.842 58.100 -0.563 0.000 1.253 176 Y CB 0.880 38.772 38.460 -0.947 0.000 1.140 176 Y HN 0.706 nan 8.280 nan 0.000 0.526 177 T N -1.310 112.910 114.554 -0.557 0.000 3.069 177 T HA 0.014 4.364 4.350 -0.000 0.000 0.252 177 T C 0.896 175.382 174.700 -0.357 0.000 1.053 177 T CA 0.607 62.426 62.100 -0.468 0.000 0.964 177 T CB -0.287 68.291 68.868 -0.483 0.000 1.005 177 T HN 0.643 nan 8.240 nan 0.000 0.532 178 T N -2.673 111.538 114.554 -0.573 0.000 3.182 178 T HA 0.218 4.567 4.350 -0.000 0.000 0.277 178 T C 0.073 174.714 174.700 -0.099 0.000 1.013 178 T CA -0.835 61.070 62.100 -0.324 0.000 0.900 178 T CB -0.302 68.377 68.868 -0.315 0.000 1.098 178 T HN 0.443 nan 8.240 nan 0.000 0.543 179 W N 5.261 126.516 121.300 -0.075 0.000 2.308 179 W HA 0.265 4.924 4.660 -0.000 0.000 0.324 179 W C -2.423 174.063 176.519 -0.054 0.000 1.387 179 W CA -2.338 55.044 57.345 0.062 0.000 1.250 179 W CB 0.726 30.250 29.460 0.106 0.000 1.257 179 W HN 0.126 nan 8.180 nan 0.000 0.554 180 P HA -0.087 nan 4.420 nan 0.000 0.267 180 P C 0.444 177.832 177.300 0.146 0.000 1.200 180 P CA 0.373 63.512 63.100 0.066 0.000 0.772 180 P CB 1.112 32.788 31.700 -0.041 0.000 0.855 181 D N 0.712 121.134 120.400 0.036 0.000 2.158 181 D HA -0.094 4.545 4.640 -0.000 0.000 0.197 181 D C 0.234 176.324 176.300 -0.350 0.000 0.995 181 D CA 1.593 55.504 54.000 -0.148 0.000 0.846 181 D CB -0.263 40.439 40.800 -0.164 0.000 0.941 181 D HN 0.346 nan 8.370 nan 0.000 0.456 182 F N -1.269 118.712 119.950 0.052 0.000 2.532 182 F HA 0.529 5.056 4.527 -0.000 0.000 0.321 182 F C 1.302 177.113 175.800 0.018 0.000 1.089 182 F CA -0.163 57.857 58.000 0.032 0.000 0.926 182 F CB 1.945 40.948 39.000 0.005 0.000 1.168 182 F HN 0.093 nan 8.300 nan 0.000 0.459 183 G N 0.882 109.812 108.800 0.216 0.000 2.569 183 G HA2 0.012 3.972 3.960 -0.000 0.000 0.259 183 G HA3 0.012 3.972 3.960 -0.000 0.000 0.259 183 G C -1.000 173.914 174.900 0.022 0.000 1.263 183 G CA -0.393 44.756 45.100 0.082 0.000 0.928 183 G HN 1.430 nan 8.290 nan 0.000 0.572 184 V N -3.229 116.556 119.914 -0.215 0.000 3.046 184 V HA 0.862 4.982 4.120 -0.000 0.000 0.316 184 V C -2.375 173.218 176.094 -0.836 0.000 1.104 184 V CA -1.958 59.938 62.300 -0.674 0.000 1.006 184 V CB 1.605 33.012 31.823 -0.693 0.000 1.058 184 V HN 0.789 nan 8.190 nan 0.000 0.440 185 P HA 0.180 nan 4.420 nan 0.000 0.267 185 P C 0.640 177.721 177.300 -0.364 0.000 1.200 185 P CA 0.119 62.759 63.100 -0.767 0.000 0.772 185 P CB 0.504 31.724 31.700 -0.800 0.000 0.855 186 E N 0.103 120.190 120.200 -0.188 0.000 2.110 186 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 186 E C 0.505 177.107 176.600 0.002 0.000 0.988 186 E CA 1.145 57.499 56.400 -0.076 0.000 0.804 186 E CB 0.169 29.831 29.700 -0.062 0.000 0.745 186 E HN 0.361 nan 8.360 nan 0.000 0.458 187 S N -0.256 115.453 115.700 0.014 0.000 2.526 187 S HA 0.250 4.720 4.470 -0.000 0.000 0.293 187 S C -2.250 172.429 174.600 0.131 0.000 1.092 187 S CA -1.652 56.580 58.200 0.053 0.000 0.980 187 S CB 1.890 65.086 63.200 -0.006 0.000 1.048 187 S HN -0.186 nan 8.310 nan 0.000 0.483 188 P HA 0.160 nan 4.420 nan 0.000 0.245 188 P C 1.220 178.540 177.300 0.033 0.000 1.212 188 P CA 0.375 63.511 63.100 0.061 0.000 0.774 188 P CB -0.038 31.491 31.700 -0.286 0.000 0.999 189 A N 1.128 123.908 122.820 -0.067 0.000 1.859 189 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 189 A C 2.520 179.746 177.584 -0.596 0.000 1.198 189 A CA 2.453 54.249 52.037 -0.402 0.000 0.629 189 A CB -1.583 17.088 19.000 -0.549 0.000 0.830 189 A HN 0.214 nan 8.150 nan 0.000 0.446 190 S N -1.480 113.990 115.700 -0.382 0.000 2.368 190 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 190 S C 1.674 176.321 174.600 0.078 0.000 1.030 190 S CA 1.439 59.404 58.200 -0.390 0.000 0.999 190 S CB -0.489 62.594 63.200 -0.195 0.000 0.844 190 S HN 0.572 nan 8.310 nan 0.000 0.459 191 F N 2.127 122.084 119.950 0.011 0.000 2.134 191 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 191 F C 1.792 177.556 175.800 -0.060 0.000 1.097 191 F CA 1.075 59.029 58.000 -0.076 0.000 1.264 191 F CB -0.365 38.623 39.000 -0.021 0.000 1.001 191 F HN 0.099 nan 8.300 nan 0.000 0.479 192 L N -0.222 120.909 121.223 -0.152 0.000 2.056 192 L HA -0.236 4.104 4.340 -0.000 0.000 0.207 192 L C 2.180 178.619 176.870 -0.720 0.000 1.078 192 L CA 1.615 56.170 54.840 -0.474 0.000 0.749 192 L CB -0.823 41.106 42.059 -0.218 0.000 0.901 192 L HN 0.140 nan 8.230 nan 0.000 0.433 193 N N -0.254 118.139 118.700 -0.512 0.000 2.166 193 N HA -0.244 4.496 4.740 -0.000 0.000 0.186 193 N C 1.646 177.139 175.510 -0.028 0.000 1.019 193 N CA 1.134 54.021 53.050 -0.271 0.000 0.856 193 N CB -0.167 38.097 38.487 -0.371 0.000 0.993 193 N HN 0.210 nan 8.380 nan 0.000 0.426 194 F N 0.803 120.696 119.950 -0.095 0.000 2.075 194 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 194 F C 1.982 177.616 175.800 -0.276 0.000 1.113 194 F CA 0.967 58.853 58.000 -0.189 0.000 1.218 194 F CB -0.762 38.227 39.000 -0.019 0.000 0.984 194 F HN 0.102 nan 8.300 nan 0.000 0.472 195 L N 0.124 121.101 121.223 -0.410 0.000 2.042 195 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 195 L C 2.217 178.937 176.870 -0.251 0.000 1.076 195 L CA 1.930 56.492 54.840 -0.462 0.000 0.749 195 L CB -1.291 40.392 42.059 -0.627 0.000 0.893 195 L HN 0.279 nan 8.230 nan 0.000 0.432 196 F N -0.590 119.235 119.950 -0.209 0.000 2.171 196 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 196 F C 2.333 178.018 175.800 -0.192 0.000 1.090 196 F CA 0.372 58.296 58.000 -0.127 0.000 1.293 196 F CB -0.267 38.744 39.000 0.019 0.000 1.013 196 F HN 0.059 nan 8.300 nan 0.000 0.486 197 K N 0.459 120.793 120.400 -0.110 0.000 2.057 197 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 197 K C 2.049 178.319 176.600 -0.549 0.000 1.050 197 K CA 0.889 57.040 56.287 -0.227 0.000 0.935 197 K CB -0.776 31.535 32.500 -0.316 0.000 0.715 197 K HN 0.168 nan 8.250 nan 0.000 0.439 198 V N 1.437 120.813 119.914 -0.897 0.000 2.358 198 V HA -0.212 3.907 4.120 -0.000 0.000 0.246 198 V C 2.467 178.268 176.094 -0.488 0.000 1.047 198 V CA 1.538 63.156 62.300 -1.136 0.000 1.035 198 V CB -0.433 30.891 31.823 -0.832 0.000 0.658 198 V HN 0.289 nan 8.190 nan 0.000 0.452 199 R N 0.040 120.386 120.500 -0.257 0.000 2.073 199 R HA -0.190 4.149 4.340 -0.000 0.000 0.234 199 R C 2.299 178.551 176.300 -0.080 0.000 1.134 199 R CA 1.840 57.873 56.100 -0.111 0.000 0.952 199 R CB -0.368 29.912 30.300 -0.033 0.000 0.850 199 R HN 0.602 nan 8.270 nan 0.000 0.433 200 E N 0.395 120.554 120.200 -0.067 0.000 2.267 200 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 200 E C 1.918 178.530 176.600 0.020 0.000 0.998 200 E CA 1.435 57.829 56.400 -0.010 0.000 0.830 200 E CB -0.012 29.704 29.700 0.027 0.000 0.751 200 E HN 0.353 nan 8.360 nan 0.000 0.491 201 S N -0.774 114.927 115.700 0.003 0.000 2.481 201 S HA 0.011 4.481 4.470 -0.000 0.000 0.231 201 S C 1.759 176.413 174.600 0.090 0.000 0.996 201 S CA 0.672 58.937 58.200 0.108 0.000 0.942 201 S CB 0.131 63.473 63.200 0.236 0.000 0.768 201 S HN 0.398 nan 8.310 nan 0.000 0.520 202 G N 0.341 109.171 108.800 0.050 0.000 2.176 202 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.253 202 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.253 202 G C 0.971 175.944 174.900 0.121 0.000 0.979 202 G CA 0.450 45.607 45.100 0.095 0.000 0.641 202 G HN 0.588 nan 8.290 nan 0.000 0.530 203 S N -0.166 115.558 115.700 0.040 0.000 2.442 203 S HA 0.065 4.535 4.470 -0.000 0.000 0.236 203 S C 1.987 176.606 174.600 0.031 0.000 1.007 203 S CA 1.287 59.490 58.200 0.005 0.000 0.965 203 S CB -0.129 63.085 63.200 0.024 0.000 0.773 203 S HN 0.541 nan 8.310 nan 0.000 0.504 204 L N 0.844 122.080 121.223 0.021 0.000 2.607 204 L HA 0.229 4.569 4.340 -0.000 0.000 0.228 204 L C 1.005 177.865 176.870 -0.017 0.000 1.123 204 L CA -0.251 54.579 54.840 -0.016 0.000 0.890 204 L CB -0.083 41.954 42.059 -0.036 0.000 1.103 204 L HN 0.121 nan 8.230 nan 0.000 0.468 205 S N 1.771 117.503 115.700 0.053 0.000 2.549 205 S HA 0.092 4.562 4.470 -0.000 0.000 0.286 205 S C -0.971 173.613 174.600 -0.028 0.000 1.314 205 S CA -1.062 57.147 58.200 0.015 0.000 1.062 205 S CB 0.702 63.921 63.200 0.033 0.000 0.865 205 S HN 0.065 nan 8.310 nan 0.000 0.498 206 P HA -0.058 nan 4.420 nan 0.000 0.228 206 P C 0.662 177.899 177.300 -0.105 0.000 1.151 206 P CA 0.712 63.763 63.100 -0.083 0.000 0.770 206 P CB 0.142 31.794 31.700 -0.079 0.000 0.786 207 E N -0.984 119.113 120.200 -0.171 0.000 2.418 207 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 207 E C 0.715 177.115 176.600 -0.334 0.000 1.026 207 E CA 0.722 56.963 56.400 -0.265 0.000 0.862 207 E CB -0.202 29.288 29.700 -0.350 0.000 0.799 207 E HN 0.534 nan 8.360 nan 0.000 0.518 208 H N -0.969 118.068 119.070 -0.053 0.000 2.676 208 H HA 0.437 4.993 4.556 -0.000 0.000 0.352 208 H C 0.632 175.918 175.328 -0.070 0.000 1.193 208 H CA -0.396 55.617 56.048 -0.058 0.000 1.243 208 H CB 0.803 30.539 29.762 -0.044 0.000 1.751 208 H HN -0.005 nan 8.280 nan 0.000 0.567 209 G N 0.550 109.394 108.800 0.074 0.000 2.684 209 G HA2 0.196 4.156 3.960 -0.000 0.000 0.255 209 G HA3 0.196 4.156 3.960 -0.000 0.000 0.255 209 G C -2.406 172.488 174.900 -0.011 0.000 1.219 209 G CA -0.897 44.199 45.100 -0.006 0.000 0.901 209 G HN 0.309 nan 8.290 nan 0.000 0.548 210 P HA 0.126 nan 4.420 nan 0.000 0.268 210 P C 0.303 177.587 177.300 -0.028 0.000 1.204 210 P CA -0.421 62.644 63.100 -0.059 0.000 0.768 210 P CB 0.981 32.643 31.700 -0.063 0.000 0.842 211 V N 4.863 124.776 119.914 -0.002 0.000 2.872 211 V HA 0.015 4.135 4.120 -0.000 0.000 0.307 211 V C -0.172 175.956 176.094 0.057 0.000 1.072 211 V CA 0.119 62.446 62.300 0.044 0.000 1.148 211 V CB 0.672 32.558 31.823 0.106 0.000 0.954 211 V HN 0.172 nan 8.190 nan 0.000 0.490 212 V N 7.219 127.150 119.914 0.027 0.000 2.383 212 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 212 V C -0.101 176.033 176.094 0.066 0.000 1.036 212 V CA -0.286 62.018 62.300 0.007 0.000 0.889 212 V CB 1.478 33.228 31.823 -0.121 0.000 0.985 212 V HN 0.694 nan 8.190 nan 0.000 0.459 213 V N 5.625 125.580 119.914 0.069 0.000 2.495 213 V HA 0.673 4.793 4.120 -0.000 0.000 0.298 213 V C -0.517 175.624 176.094 0.079 0.000 1.031 213 V CA -0.613 61.691 62.300 0.007 0.000 0.871 213 V CB 1.702 33.506 31.823 -0.032 0.000 0.988 213 V HN 1.172 nan 8.190 nan 0.000 0.432 214 H N 1.976 121.025 119.070 -0.035 0.000 3.016 214 H HA 0.861 5.416 4.556 -0.000 0.000 0.362 214 H C -0.359 174.940 175.328 -0.048 0.000 1.233 214 H CA -0.355 55.673 56.048 -0.032 0.000 1.124 214 H CB 1.513 31.257 29.762 -0.029 0.000 1.850 214 H HN 0.808 nan 8.280 nan 0.000 0.549 215 C N -0.280 119.032 119.300 0.020 0.000 4.108 215 C HA 0.627 5.087 4.460 -0.000 0.000 0.310 215 C C 1.873 176.945 174.990 0.136 0.000 4.671 215 C CA 0.119 59.110 59.018 -0.045 0.000 1.621 215 C CB 0.941 28.585 27.740 -0.159 0.000 5.418 215 C HN 0.845 nan 8.230 nan 0.000 0.531 216 S N 0.172 115.915 115.700 0.072 0.000 2.362 216 S HA 0.141 4.611 4.470 -0.000 0.000 0.221 216 S C 1.786 176.529 174.600 0.238 0.000 1.032 216 S CA 1.575 59.870 58.200 0.158 0.000 0.973 216 S CB -0.631 62.672 63.200 0.171 0.000 0.849 216 S HN 1.095 nan 8.310 nan 0.000 0.465 217 A N -0.560 122.379 122.820 0.198 0.000 2.220 217 A HA 0.535 4.854 4.320 -0.000 0.000 0.211 217 A C 1.517 179.162 177.584 0.101 0.000 1.176 217 A CA 0.841 53.013 52.037 0.225 0.000 0.834 217 A CB -0.608 18.412 19.000 0.033 0.000 0.868 217 A HN 1.301 nan 8.150 nan 0.000 0.488 218 G N -0.057 108.778 108.800 0.058 0.000 2.160 218 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 218 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 218 G C 0.637 175.543 174.900 0.009 0.000 1.022 218 G CA 0.809 45.933 45.100 0.040 0.000 0.741 218 G HN 1.339 nan 8.290 nan 0.000 0.508 219 I N -4.961 115.600 120.570 -0.015 0.000 4.866 219 I HA 0.438 4.607 4.170 -0.000 0.000 0.325 219 I C 1.805 177.908 176.117 -0.023 0.000 1.240 219 I CA 0.829 62.122 61.300 -0.011 0.000 1.355 219 I CB -0.331 37.665 38.000 -0.008 0.000 1.395 219 I HN 0.072 nan 8.210 nan 0.000 0.479 220 G N 1.979 110.733 108.800 -0.077 0.000 2.654 220 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.215 220 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.215 220 G C 1.583 176.380 174.900 -0.171 0.000 1.310 220 G CA 0.525 45.557 45.100 -0.114 0.000 0.866 220 G HN 0.191 nan 8.290 nan 0.000 0.558 221 R N 0.380 120.658 120.500 -0.370 0.000 2.096 221 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 221 R C 2.991 179.213 176.300 -0.129 0.000 1.127 221 R CA 1.441 57.215 56.100 -0.543 0.000 0.968 221 R CB -0.396 29.351 30.300 -0.922 0.000 0.861 221 R HN 0.291 nan 8.270 nan 0.000 0.440 222 S N 0.071 115.718 115.700 -0.088 0.000 2.382 222 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 222 S C 2.026 176.674 174.600 0.081 0.000 1.027 222 S CA 1.309 59.519 58.200 0.015 0.000 0.991 222 S CB -0.370 62.822 63.200 -0.014 0.000 0.823 222 S HN 0.629 nan 8.310 nan 0.000 0.469 223 G N 1.241 110.067 108.800 0.044 0.000 2.422 223 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 223 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 223 G C 1.444 176.411 174.900 0.111 0.000 1.146 223 G CA 1.423 46.560 45.100 0.062 0.000 0.769 223 G HN 0.482 nan 8.290 nan 0.000 0.547 224 T N 0.725 115.376 114.554 0.162 0.000 2.708 224 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 224 T C 1.915 176.843 174.700 0.381 0.000 1.037 224 T CA 1.157 63.411 62.100 0.256 0.000 1.146 224 T CB -0.300 68.745 68.868 0.295 0.000 0.865 224 T HN 0.248 nan 8.240 nan 0.000 0.435 225 F N 2.052 122.205 119.950 0.339 0.000 2.069 225 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 225 F C 2.679 178.477 175.800 -0.005 0.000 1.113 225 F CA 1.575 59.743 58.000 0.280 0.000 1.214 225 F CB -0.664 38.454 39.000 0.196 0.000 0.978 225 F HN 0.389 nan 8.300 nan 0.000 0.474 226 C N -0.447 118.835 119.300 -0.031 0.000 2.450 226 C HA -0.018 4.442 4.460 -0.000 0.000 0.279 226 C C 2.491 177.314 174.990 -0.278 0.000 1.335 226 C CA 0.345 59.059 59.018 -0.506 0.000 1.749 226 C CB -1.779 25.372 27.740 -0.983 0.000 1.963 226 C HN 0.613 nan 8.230 nan 0.000 0.501 227 L N 2.743 123.910 121.223 -0.093 0.000 2.017 227 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 227 L C 2.783 179.636 176.870 -0.028 0.000 1.073 227 L CA 2.330 57.158 54.840 -0.020 0.000 0.745 227 L CB -1.123 40.962 42.059 0.044 0.000 0.894 227 L HN 0.344 nan 8.230 nan 0.000 0.432 228 A N -0.769 122.036 122.820 -0.025 0.000 1.877 228 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 228 A C 2.095 179.624 177.584 -0.093 0.000 1.186 228 A CA 1.882 53.892 52.037 -0.045 0.000 0.620 228 A CB -1.091 17.909 19.000 -0.000 0.000 0.822 228 A HN 0.579 nan 8.150 nan 0.000 0.443 229 D N -0.977 119.309 120.400 -0.189 0.000 2.092 229 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 229 D C 1.962 178.260 176.300 -0.003 0.000 0.994 229 D CA 2.145 56.055 54.000 -0.149 0.000 0.828 229 D CB -0.305 40.364 40.800 -0.218 0.000 0.963 229 D HN 0.337 nan 8.370 nan 0.000 0.450 230 T N -0.900 113.683 114.554 0.048 0.000 2.746 230 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 230 T C 2.218 176.941 174.700 0.039 0.000 1.039 230 T CA 1.207 63.360 62.100 0.089 0.000 1.142 230 T CB -0.621 68.326 68.868 0.133 0.000 0.866 230 T HN 0.291 nan 8.240 nan 0.000 0.444 231 C N 0.937 120.245 119.300 0.013 0.000 2.429 231 C HA 0.034 4.494 4.460 -0.000 0.000 0.277 231 C C 2.694 177.685 174.990 0.003 0.000 1.262 231 C CA 0.428 59.447 59.018 0.001 0.000 1.733 231 C CB -1.358 26.367 27.740 -0.025 0.000 2.010 231 C HN 0.523 nan 8.230 nan 0.000 0.483 232 L N -0.150 121.076 121.223 0.006 0.000 2.046 232 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 232 L C 2.522 179.401 176.870 0.016 0.000 1.077 232 L CA 0.969 55.822 54.840 0.021 0.000 0.747 232 L CB -0.648 41.443 42.059 0.054 0.000 0.896 232 L HN 0.300 nan 8.230 nan 0.000 0.432 233 L N -0.255 120.977 121.223 0.015 0.000 2.046 233 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 233 L C 2.324 179.195 176.870 0.003 0.000 1.077 233 L CA 1.694 56.538 54.840 0.006 0.000 0.747 233 L CB -0.394 41.671 42.059 0.009 0.000 0.896 233 L HN 0.108 nan 8.230 nan 0.000 0.432 234 L N -1.663 119.566 121.223 0.010 0.000 2.083 234 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 234 L C 2.510 179.383 176.870 0.004 0.000 1.083 234 L CA 1.384 56.230 54.840 0.009 0.000 0.752 234 L CB -0.452 41.617 42.059 0.017 0.000 0.899 234 L HN 0.315 nan 8.230 nan 0.000 0.433 235 M N -0.875 118.726 119.600 0.002 0.000 2.279 235 M HA -0.201 4.279 4.480 -0.000 0.000 0.264 235 M C 1.449 177.743 176.300 -0.009 0.000 1.062 235 M CA 1.369 56.668 55.300 -0.001 0.000 1.099 235 M CB -0.318 32.282 32.600 -0.000 0.000 1.394 235 M HN 0.197 nan 8.290 nan 0.000 0.426 236 D N -0.104 120.288 120.400 -0.013 0.000 2.249 236 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 236 D C 1.850 178.138 176.300 -0.021 0.000 0.962 236 D CA 0.937 54.923 54.000 -0.023 0.000 0.860 236 D CB 0.123 40.905 40.800 -0.030 0.000 0.955 236 D HN 0.327 nan 8.370 nan 0.000 0.505 237 K N 0.225 120.616 120.400 -0.014 0.000 2.166 237 K HA 0.057 4.377 4.320 -0.000 0.000 0.201 237 K C 0.695 177.290 176.600 -0.009 0.000 1.052 237 K CA 0.128 56.407 56.287 -0.013 0.000 0.969 237 K CB 0.540 33.034 32.500 -0.010 0.000 0.761 237 K HN -0.076 nan 8.250 nan 0.000 0.459 238 R N 0.948 121.445 120.500 -0.005 0.000 2.582 238 R HA 0.072 4.411 4.340 -0.000 0.000 0.271 238 R C 0.999 177.297 176.300 -0.004 0.000 1.078 238 R CA -0.031 56.068 56.100 -0.002 0.000 1.127 238 R CB 0.645 30.947 30.300 0.004 0.000 1.038 238 R HN 0.040 nan 8.270 nan 0.000 0.500 239 K N 0.535 120.933 120.400 -0.003 0.000 2.148 239 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 239 K C 0.194 176.793 176.600 -0.003 0.000 1.050 239 K CA 1.103 57.388 56.287 -0.004 0.000 0.942 239 K CB 0.091 32.589 32.500 -0.003 0.000 0.724 239 K HN 0.425 nan 8.250 nan 0.000 0.446 240 D N -0.203 120.198 120.400 0.001 0.000 2.438 240 D HA 0.152 4.792 4.640 -0.000 0.000 0.257 240 D C -2.254 174.050 176.300 0.007 0.000 1.148 240 D CA -2.543 51.459 54.000 0.004 0.000 0.902 240 D CB 1.564 42.369 40.800 0.008 0.000 1.062 240 D HN -0.213 nan 8.370 nan 0.000 0.518 241 P HA -0.120 nan 4.420 nan 0.000 0.220 241 P C 1.219 178.527 177.300 0.014 0.000 1.148 241 P CA 0.870 63.973 63.100 0.006 0.000 0.803 241 P CB 0.172 31.873 31.700 0.001 0.000 0.782 242 S N -0.993 114.718 115.700 0.018 0.000 2.555 242 S HA -0.071 4.399 4.470 -0.000 0.000 0.230 242 S C 1.766 176.383 174.600 0.029 0.000 0.978 242 S CA 1.006 59.224 58.200 0.029 0.000 0.934 242 S CB -1.349 61.871 63.200 0.033 0.000 0.766 242 S HN 0.236 nan 8.310 nan 0.000 0.533 243 S N 0.409 116.123 115.700 0.023 0.000 2.562 243 S HA 0.199 4.669 4.470 -0.000 0.000 0.221 243 S C 0.465 175.080 174.600 0.023 0.000 0.975 243 S CA -0.292 57.922 58.200 0.024 0.000 0.918 243 S CB -0.510 62.702 63.200 0.020 0.000 0.772 243 S HN 0.294 nan 8.310 nan 0.000 0.531 244 V N 3.432 123.357 119.914 0.019 0.000 2.446 244 V HA 0.248 4.367 4.120 -0.000 0.000 0.276 244 V C -0.095 176.004 176.094 0.009 0.000 1.030 244 V CA -0.207 62.102 62.300 0.013 0.000 1.033 244 V CB 0.562 32.388 31.823 0.006 0.000 0.993 244 V HN 0.352 nan 8.190 nan 0.000 0.477 245 D N 4.349 124.757 120.400 0.014 0.000 2.427 245 D HA 0.223 4.863 4.640 -0.000 0.000 0.226 245 D C 0.846 177.143 176.300 -0.005 0.000 1.076 245 D CA -0.395 53.613 54.000 0.014 0.000 0.849 245 D CB 1.414 42.238 40.800 0.039 0.000 1.052 245 D HN 0.483 nan 8.370 nan 0.000 0.515 246 I N 3.908 124.433 120.570 -0.077 0.000 2.264 246 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 246 I C 1.766 177.881 176.117 -0.003 0.000 1.111 246 I CA 1.215 62.450 61.300 -0.109 0.000 1.382 246 I CB 0.296 38.080 38.000 -0.361 0.000 1.060 246 I HN 0.301 nan 8.210 nan 0.000 0.418 247 K N 0.509 120.940 120.400 0.051 0.000 2.057 247 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 247 K C 2.118 178.779 176.600 0.103 0.000 1.049 247 K CA 1.368 57.730 56.287 0.126 0.000 0.931 247 K CB -0.129 32.467 32.500 0.161 0.000 0.714 247 K HN 0.345 nan 8.250 nan 0.000 0.440 248 K N 0.653 121.101 120.400 0.080 0.000 2.057 248 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 248 K C 2.112 178.766 176.600 0.090 0.000 1.050 248 K CA 1.066 57.401 56.287 0.079 0.000 0.935 248 K CB -0.061 32.478 32.500 0.065 0.000 0.715 248 K HN -0.061 nan 8.250 nan 0.000 0.439 249 V N 1.740 121.701 119.914 0.078 0.000 2.343 249 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 249 V C 2.190 178.354 176.094 0.116 0.000 1.051 249 V CA 1.342 63.696 62.300 0.090 0.000 1.036 249 V CB -0.405 31.455 31.823 0.061 0.000 0.654 249 V HN 0.257 nan 8.190 nan 0.000 0.451 250 L N -0.237 121.053 121.223 0.111 0.000 2.046 250 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 250 L C 2.179 179.142 176.870 0.155 0.000 1.077 250 L CA 1.843 56.765 54.840 0.137 0.000 0.747 250 L CB -0.641 41.510 42.059 0.153 0.000 0.896 250 L HN 0.203 nan 8.230 nan 0.000 0.432 251 L N -0.640 120.667 121.223 0.140 0.000 2.083 251 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 251 L C 2.570 179.538 176.870 0.163 0.000 1.083 251 L CA 1.393 56.314 54.840 0.135 0.000 0.752 251 L CB -0.523 41.599 42.059 0.104 0.000 0.899 251 L HN 0.351 nan 8.230 nan 0.000 0.433 252 E N 0.583 120.887 120.200 0.175 0.000 2.051 252 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 252 E C 2.226 179.037 176.600 0.352 0.000 0.991 252 E CA 1.667 58.205 56.400 0.229 0.000 0.799 252 E CB -0.169 29.660 29.700 0.216 0.000 0.748 252 E HN 0.309 nan 8.360 nan 0.000 0.449 253 M N -0.273 119.519 119.600 0.319 0.000 2.159 253 M HA -0.099 4.380 4.480 -0.000 0.000 0.263 253 M C 2.205 178.752 176.300 0.411 0.000 1.063 253 M CA 1.365 56.897 55.300 0.386 0.000 1.110 253 M CB -0.203 32.533 32.600 0.225 0.000 1.374 253 M HN 0.013 nan 8.290 nan 0.000 0.411 254 R N 0.271 120.952 120.500 0.302 0.000 2.357 254 R HA -0.070 4.270 4.340 -0.000 0.000 0.202 254 R C 1.654 178.198 176.300 0.407 0.000 1.047 254 R CA 0.654 56.938 56.100 0.308 0.000 1.034 254 R CB -0.089 30.346 30.300 0.225 0.000 0.875 254 R HN 0.413 nan 8.270 nan 0.000 0.473 255 K N -0.705 119.884 120.400 0.315 0.000 2.296 255 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 255 K C 0.881 177.581 176.600 0.166 0.000 1.048 255 K CA 0.954 57.357 56.287 0.193 0.000 0.966 255 K CB 0.234 32.623 32.500 -0.184 0.000 0.754 255 K HN 0.128 nan 8.250 nan 0.000 0.466 256 F N -0.124 120.111 119.950 0.475 0.000 2.678 256 F HA 0.225 4.752 4.527 -0.000 0.000 0.291 256 F C 0.681 176.610 175.800 0.214 0.000 1.123 256 F CA -0.319 57.886 58.000 0.341 0.000 1.395 256 F CB 0.645 39.756 39.000 0.186 0.000 1.121 256 F HN -0.232 nan 8.300 nan 0.000 0.592 257 R N 1.198 121.872 120.500 0.291 0.000 2.536 257 R HA 0.392 4.732 4.340 -0.000 0.000 0.269 257 R C -0.817 175.419 176.300 -0.108 0.000 1.113 257 R CA -0.697 55.318 56.100 -0.142 0.000 0.948 257 R CB 1.415 31.697 30.300 -0.031 0.000 1.237 257 R HN 0.120 nan 8.270 nan 0.000 0.441 258 M N 2.047 121.392 119.600 -0.424 0.000 2.226 258 M HA 0.412 4.892 4.480 -0.000 0.000 0.324 258 M C 0.970 177.268 176.300 -0.003 0.000 1.112 258 M CA 1.199 56.449 55.300 -0.084 0.000 1.176 258 M CB 0.798 33.328 32.600 -0.117 0.000 1.430 258 M HN 0.803 nan 8.290 nan 0.000 0.462 259 G N 1.640 110.481 108.800 0.068 0.000 2.175 259 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.265 259 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.265 259 G C 0.018 174.976 174.900 0.096 0.000 0.979 259 G CA 0.346 45.490 45.100 0.075 0.000 0.663 259 G HN 0.786 nan 8.290 nan 0.000 0.533 260 L N 0.849 122.133 121.223 0.103 0.000 2.628 260 L HA 0.224 4.564 4.340 -0.000 0.000 0.274 260 L C 0.919 177.883 176.870 0.156 0.000 1.209 260 L CA -0.001 54.904 54.840 0.107 0.000 0.930 260 L CB -0.004 42.124 42.059 0.115 0.000 1.183 260 L HN 0.286 nan 8.230 nan 0.000 0.492 261 I N 3.181 123.828 120.570 0.128 0.000 7.690 261 I HA -0.197 3.973 4.170 -0.000 0.000 0.126 261 I C 0.724 176.951 176.117 0.183 0.000 1.844 261 I CA 0.283 61.669 61.300 0.144 0.000 2.037 261 I CB -0.678 37.456 38.000 0.224 0.000 3.696 261 I HN 0.853 nan 8.210 nan 0.000 0.169 262 Q N 2.530 122.362 119.800 0.054 0.000 2.408 262 Q HA 0.143 4.483 4.340 -0.000 0.000 0.205 262 Q C 0.993 176.967 176.000 -0.043 0.000 0.919 262 Q CA 1.271 57.116 55.803 0.070 0.000 0.932 262 Q CB 0.919 29.652 28.738 -0.009 0.000 1.058 262 Q HN 0.896 nan 8.270 nan 0.000 0.517 263 T N -5.755 108.580 114.554 -0.364 0.000 2.843 263 T HA 0.639 4.989 4.350 -0.000 0.000 0.302 263 T C 0.697 174.823 174.700 -0.958 0.000 1.232 263 T CA -0.228 61.541 62.100 -0.551 0.000 1.009 263 T CB 1.413 70.153 68.868 -0.212 0.000 1.254 263 T HN -0.125 nan 8.240 nan 0.000 0.504 264 A N 0.571 122.950 122.820 -0.734 0.000 1.972 264 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 264 A C 1.845 179.252 177.584 -0.296 0.000 1.169 264 A CA 1.664 53.458 52.037 -0.406 0.000 0.635 264 A CB -0.979 18.026 19.000 0.008 0.000 0.810 264 A HN 0.886 nan 8.150 nan 0.000 0.446 265 D N -0.432 119.819 120.400 -0.248 0.000 2.144 265 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 265 D C 2.093 178.304 176.300 -0.150 0.000 0.984 265 D CA 1.258 55.128 54.000 -0.216 0.000 0.834 265 D CB -0.284 40.438 40.800 -0.131 0.000 0.955 265 D HN 0.613 nan 8.370 nan 0.000 0.465 266 Q N -0.170 119.558 119.800 -0.118 0.000 2.167 266 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 266 Q C 2.189 178.223 176.000 0.057 0.000 0.970 266 Q CA 0.394 56.212 55.803 0.025 0.000 0.855 266 Q CB 0.013 28.758 28.738 0.010 0.000 0.911 266 Q HN 0.168 nan 8.270 nan 0.000 0.438 267 L N 0.917 122.112 121.223 -0.046 0.000 2.027 267 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 267 L C 2.404 179.297 176.870 0.038 0.000 1.074 267 L CA 1.790 56.700 54.840 0.117 0.000 0.745 267 L CB -0.405 41.795 42.059 0.235 0.000 0.898 267 L HN 0.035 nan 8.230 nan 0.000 0.433 268 R N -1.429 118.795 120.500 -0.460 0.000 2.091 268 R HA -0.265 4.075 4.340 -0.000 0.000 0.238 268 R C 2.370 178.598 176.300 -0.120 0.000 1.136 268 R CA 2.121 57.673 56.100 -0.913 0.000 0.959 268 R CB -0.664 28.776 30.300 -1.433 0.000 0.856 268 R HN 0.424 nan 8.270 nan 0.000 0.437 269 F N 1.142 120.989 119.950 -0.172 0.000 2.171 269 F HA -0.145 4.381 4.527 -0.000 0.000 0.300 269 F C 2.192 177.994 175.800 0.003 0.000 1.090 269 F CA 1.791 59.734 58.000 -0.095 0.000 1.293 269 F CB -0.308 38.595 39.000 -0.163 0.000 1.013 269 F HN -0.016 nan 8.300 nan 0.000 0.486 270 S N -0.652 115.078 115.700 0.050 0.000 2.368 270 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 270 S C 1.793 176.407 174.600 0.023 0.000 1.030 270 S CA 1.356 59.566 58.200 0.017 0.000 0.999 270 S CB -0.690 62.595 63.200 0.141 0.000 0.844 270 S HN 0.464 nan 8.310 nan 0.000 0.459 271 Y N 1.165 121.481 120.300 0.026 0.000 2.145 271 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 271 Y C 2.250 178.099 175.900 -0.085 0.000 1.145 271 Y CA 0.896 59.067 58.100 0.118 0.000 1.148 271 Y CB -0.632 38.121 38.460 0.489 0.000 0.981 271 Y HN 0.159 nan 8.280 nan 0.000 0.507 272 L N -0.148 121.059 121.223 -0.027 0.000 2.042 272 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 272 L C 2.391 179.093 176.870 -0.281 0.000 1.076 272 L CA 2.049 56.719 54.840 -0.283 0.000 0.749 272 L CB -1.109 40.779 42.059 -0.286 0.000 0.893 272 L HN 0.181 nan 8.230 nan 0.000 0.432 273 A N -1.502 121.081 122.820 -0.395 0.000 1.877 273 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 273 A C 2.270 179.776 177.584 -0.131 0.000 1.186 273 A CA 1.959 53.812 52.037 -0.307 0.000 0.620 273 A CB -1.044 17.741 19.000 -0.358 0.000 0.822 273 A HN 0.278 nan 8.150 nan 0.000 0.443 274 V N 0.187 120.039 119.914 -0.104 0.000 2.295 274 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 274 V C 2.434 178.506 176.094 -0.036 0.000 1.049 274 V CA 2.015 64.282 62.300 -0.056 0.000 1.024 274 V CB -0.672 31.109 31.823 -0.070 0.000 0.648 274 V HN 0.565 nan 8.190 nan 0.000 0.447 275 I N -0.011 120.527 120.570 -0.052 0.000 2.142 275 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 275 I C 2.613 178.709 176.117 -0.035 0.000 1.078 275 I CA 2.164 63.438 61.300 -0.044 0.000 1.343 275 I CB -0.341 37.602 38.000 -0.096 0.000 1.046 275 I HN 0.395 nan 8.210 nan 0.000 0.405 276 E N 0.870 121.041 120.200 -0.048 0.000 2.150 276 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 276 E C 2.229 178.843 176.600 0.024 0.000 0.985 276 E CA 1.125 57.523 56.400 -0.004 0.000 0.814 276 E CB -0.117 29.602 29.700 0.033 0.000 0.752 276 E HN 0.503 nan 8.360 nan 0.000 0.466 277 G N 0.509 109.334 108.800 0.042 0.000 2.403 277 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 277 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 277 G C 1.616 176.600 174.900 0.140 0.000 1.154 277 G CA 0.638 45.818 45.100 0.132 0.000 0.784 277 G HN 0.376 nan 8.290 nan 0.000 0.538 278 A N 0.866 123.722 122.820 0.060 0.000 1.930 278 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 278 A C 2.288 179.872 177.584 -0.000 0.000 1.175 278 A CA 1.823 53.878 52.037 0.029 0.000 0.627 278 A CB -0.275 18.732 19.000 0.012 0.000 0.815 278 A HN 0.367 nan 8.150 nan 0.000 0.443 279 K N -1.583 118.815 120.400 -0.003 0.000 2.057 279 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 279 K C 1.775 178.327 176.600 -0.080 0.000 1.050 279 K CA 1.429 57.695 56.287 -0.034 0.000 0.935 279 K CB -0.312 32.176 32.500 -0.020 0.000 0.715 279 K HN 0.488 nan 8.250 nan 0.000 0.439 280 F N 2.041 121.847 119.950 -0.241 0.000 2.102 280 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 280 F C 1.863 177.508 175.800 -0.258 0.000 1.105 280 F CA 1.203 58.981 58.000 -0.370 0.000 1.239 280 F CB -0.082 38.514 39.000 -0.674 0.000 0.991 280 F HN -0.124 nan 8.300 nan 0.000 0.474 281 I N 0.276 120.749 120.570 -0.161 0.000 2.423 281 I HA -0.277 3.893 4.170 -0.000 0.000 0.254 281 I C 2.003 177.962 176.117 -0.263 0.000 1.151 281 I CA 1.222 62.379 61.300 -0.238 0.000 1.421 281 I CB -1.074 36.876 38.000 -0.083 0.000 1.079 281 I HN 0.301 nan 8.210 nan 0.000 0.431 282 M N 0.057 119.534 119.600 -0.205 0.000 2.563 282 M HA 0.141 4.621 4.480 -0.000 0.000 0.231 282 M C 0.945 177.123 176.300 -0.203 0.000 1.136 282 M CA 0.269 55.469 55.300 -0.167 0.000 1.026 282 M CB -0.855 31.683 32.600 -0.103 0.000 1.597 282 M HN 0.369 nan 8.290 nan 0.000 0.495 283 G N 2.622 111.231 108.800 -0.318 0.000 2.351 283 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.297 283 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.297 283 G C -0.831 173.949 174.900 -0.201 0.000 1.054 283 G CA -0.021 44.896 45.100 -0.306 0.000 1.123 283 G HN 0.405 nan 8.290 nan 0.000 0.512 284 D N -0.140 120.147 120.400 -0.187 0.000 2.225 284 D HA 0.665 5.305 4.640 -0.000 0.000 0.248 284 D C 1.680 177.937 176.300 -0.072 0.000 1.096 284 D CA 0.661 54.599 54.000 -0.103 0.000 0.863 284 D CB 1.037 41.794 40.800 -0.072 0.000 1.156 284 D HN 0.379 nan 8.370 nan 0.000 0.450 285 S N 1.691 117.365 115.700 -0.043 0.000 2.389 285 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 285 S C 1.942 176.551 174.600 0.015 0.000 1.048 285 S CA 2.382 60.573 58.200 -0.015 0.000 1.117 285 S CB -0.608 62.588 63.200 -0.007 0.000 1.020 285 S HN 0.392 nan 8.310 nan 0.000 0.430 286 S N 0.616 116.329 115.700 0.022 0.000 2.365 286 S HA -0.071 4.399 4.470 -0.000 0.000 0.221 286 S C 2.186 176.831 174.600 0.076 0.000 1.037 286 S CA 2.748 60.977 58.200 0.049 0.000 1.060 286 S CB -1.155 62.073 63.200 0.046 0.000 0.974 286 S HN 1.193 nan 8.310 nan 0.000 0.427 287 V N 1.302 121.248 119.914 0.053 0.000 2.392 287 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 287 V C 2.379 178.524 176.094 0.085 0.000 1.059 287 V CA 2.884 65.214 62.300 0.049 0.000 1.051 287 V CB -1.081 30.709 31.823 -0.056 0.000 0.658 287 V HN 0.673 nan 8.190 nan 0.000 0.455 288 Q N -0.431 119.429 119.800 0.101 0.000 2.046 288 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 288 Q C 2.064 178.221 176.000 0.262 0.000 0.975 288 Q CA 1.996 57.921 55.803 0.204 0.000 0.836 288 Q CB -0.066 28.696 28.738 0.040 0.000 0.896 288 Q HN 0.824 nan 8.270 nan 0.000 0.428 289 D N 0.591 121.095 120.400 0.172 0.000 2.087 289 D HA -0.233 4.407 4.640 -0.000 0.000 0.192 289 D C 1.854 178.270 176.300 0.195 0.000 0.993 289 D CA 1.789 55.883 54.000 0.157 0.000 0.828 289 D CB -0.554 40.308 40.800 0.104 0.000 0.968 289 D HN 0.592 nan 8.370 nan 0.000 0.448 290 Q N -0.742 119.182 119.800 0.207 0.000 2.443 290 Q HA -0.167 4.173 4.340 -0.000 0.000 0.213 290 Q C 1.557 177.712 176.000 0.258 0.000 0.982 290 Q CA 0.871 56.794 55.803 0.200 0.000 0.894 290 Q CB -0.248 28.606 28.738 0.194 0.000 0.947 290 Q HN 0.356 nan 8.270 nan 0.000 0.480 291 W N 1.356 122.688 121.300 0.053 0.000 2.783 291 W HA 0.130 4.790 4.660 -0.000 0.000 0.287 291 W C 2.980 179.526 176.519 0.045 0.000 1.085 291 W CA 1.375 58.731 57.345 0.018 0.000 1.646 291 W CB -0.628 28.840 29.460 0.013 0.000 1.135 291 W HN 0.145 nan 8.180 nan 0.000 0.548 292 K N 0.850 121.483 120.400 0.389 0.000 2.077 292 K HA -0.246 4.074 4.320 -0.000 0.000 0.213 292 K C 1.694 178.392 176.600 0.163 0.000 1.051 292 K CA 3.152 59.599 56.287 0.267 0.000 0.929 292 K CB -1.635 31.005 32.500 0.234 0.000 0.715 292 K HN 0.381 nan 8.250 nan 0.000 0.451 293 E N -0.334 119.946 120.200 0.135 0.000 1.999 293 E HA 0.257 4.607 4.350 -0.000 0.000 0.194 293 E C 2.680 179.312 176.600 0.054 0.000 0.995 293 E CA 2.450 58.902 56.400 0.087 0.000 0.825 293 E CB -1.244 28.502 29.700 0.077 0.000 0.777 293 E HN 1.046 nan 8.360 nan 0.000 0.459 294 L N -0.529 120.711 121.223 0.027 0.000 2.145 294 L HA 0.447 4.787 4.340 -0.000 0.000 0.201 294 L C 3.016 179.832 176.870 -0.090 0.000 1.075 294 L CA 2.229 57.056 54.840 -0.021 0.000 0.773 294 L CB -1.834 40.205 42.059 -0.033 0.000 0.936 294 L HN 0.865 nan 8.230 nan 0.000 0.451 295 F N 0.428 120.270 119.950 -0.180 0.000 2.161 295 F HA -0.036 4.491 4.527 -0.000 0.000 0.300 295 F C 2.424 178.073 175.800 -0.251 0.000 1.089 295 F CA 3.574 61.331 58.000 -0.405 0.000 1.282 295 F CB -1.729 36.776 39.000 -0.825 0.000 1.010 295 F HN 0.943 nan 8.300 nan 0.000 0.485 296 H N -0.775 118.269 119.070 -0.042 0.000 2.428 296 H HA 0.516 5.072 4.556 -0.000 0.000 0.323 296 H C 1.593 176.999 175.328 0.131 0.000 1.091 296 H CA 1.900 58.005 56.048 0.096 0.000 1.501 296 H CB -1.185 28.667 29.762 0.150 0.000 1.508 296 H HN 0.837 nan 8.280 nan 0.000 0.608 297 E N -0.272 119.993 120.200 0.109 0.000 2.359 297 E HA 0.505 4.855 4.350 -0.000 0.000 0.255 297 E C 0.775 177.416 176.600 0.068 0.000 1.191 297 E CA 1.083 57.541 56.400 0.097 0.000 0.952 297 E CB -1.031 28.720 29.700 0.084 0.000 1.152 297 E HN 1.934 nan 8.360 nan 0.000 0.496 298 D N 0.000 120.434 120.400 0.057 0.000 6.856 298 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 298 D CA 0.000 54.023 54.000 0.039 0.000 0.868 298 D CB 0.000 40.818 40.800 0.030 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683