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 2uvg_1_A DATA FIRST_RESID 28 DATA SEQUENCE VNLRMSWWGG NGRHEVTLKA LEEFHKEHPN INVKAEYTGW DGHLSRLTTQ DATA SEQUENCE IAGGTEPDVM QTNWNWLPIF SKDGTGFYNL FSVKEQLDLA QFDPKELQQT DATA SEQUENCE TVNGKLNGIP ISVTARIFYF NDATWAKAGL EYPKTWDELL AAGQVFKEKL DATA SEQUENCE GDQYYPVVLE HQDTLALIRS YMTQKYNIPT IDEANKKFAY SPEQWVEFFT DATA SEQUENCE MYKTMVDNHV MPSTKYYASF GKSNMYEMKP WINGEWAGTY MWNSTITKYS DATA SEQUENCE DNLTKPAKLV LGPYPMLPGA KDAGLFFKPA QMLSIGKSTK HPQESAMLIN DATA SEQUENCE FLLNSKEGVE ALGLERGVPL SATAVTQLRA SGVIKDEDPS VAGLNMALEL DATA SEQUENCE PHKMTTSPYF DDPQIVSLFG DAIQYIDYGQ KTVQETAEYF NKQGDRILKR DATA SEQUENCE AMR 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 28 V HA 0.000 nan 4.120 nan 0.000 0.244 28 V C 0.000 175.985 176.094 -0.182 0.000 1.182 28 V CA 0.000 62.152 62.300 -0.247 0.000 1.235 28 V CB 0.000 31.645 31.823 -0.297 0.000 1.184 29 N N 5.461 124.054 118.700 -0.178 0.000 2.501 29 N HA 0.631 5.349 4.740 -0.037 0.000 0.245 29 N C -0.731 174.751 175.510 -0.046 0.000 0.974 29 N CA -0.295 52.715 53.050 -0.066 0.000 0.941 29 N CB 2.397 40.876 38.487 -0.014 0.000 1.122 29 N HN 0.549 nan 8.380 nan 0.000 0.507 30 L N 1.610 122.819 121.223 -0.024 0.000 2.375 30 L HA 0.534 4.852 4.340 -0.037 0.000 0.268 30 L C 0.669 177.557 176.870 0.031 0.000 1.058 30 L CA -0.800 54.045 54.840 0.009 0.000 0.803 30 L CB 1.378 43.437 42.059 0.000 0.000 1.212 30 L HN 0.212 nan 8.230 nan 0.000 0.451 31 R N 2.372 122.900 120.500 0.047 0.000 2.480 31 R HA 0.540 4.858 4.340 -0.037 0.000 0.306 31 R C -0.994 175.357 176.300 0.086 0.000 0.958 31 R CA -0.557 55.580 56.100 0.062 0.000 0.861 31 R CB 2.437 32.770 30.300 0.056 0.000 1.171 31 R HN 0.558 nan 8.270 nan 0.000 0.445 32 M N 2.346 122.024 119.600 0.130 0.000 2.243 32 M HA 0.295 4.753 4.480 -0.037 0.000 0.324 32 M C -0.664 175.809 176.300 0.287 0.000 1.031 32 M CA -0.418 55.006 55.300 0.206 0.000 0.949 32 M CB 1.838 34.568 32.600 0.216 0.000 1.615 32 M HN 0.687 nan 8.290 nan 0.000 0.430 33 S N 3.958 119.843 115.700 0.308 0.000 2.593 33 S HA 0.883 5.331 4.470 -0.037 0.000 0.297 33 S C -1.173 173.768 174.600 0.569 0.000 1.112 33 S CA -0.585 57.823 58.200 0.346 0.000 1.043 33 S CB 1.146 64.546 63.200 0.332 0.000 1.054 33 S HN 0.890 nan 8.310 nan 0.000 0.516 34 W N -0.078 121.421 121.300 0.332 0.000 2.937 34 W HA 0.773 5.421 4.660 -0.021 0.000 0.360 34 W C -2.362 174.287 176.519 0.216 0.000 1.215 34 W CA -1.387 56.064 57.345 0.177 0.000 1.183 34 W CB -0.012 29.412 29.460 -0.060 0.000 1.458 34 W HN 0.916 nan 8.180 nan 0.000 0.574 35 W N 1.401 122.746 121.300 0.076 0.000 2.882 35 W HA 0.931 5.566 4.660 -0.042 0.000 0.345 35 W C -0.288 176.452 176.519 0.368 0.000 1.125 35 W CA -0.802 56.585 57.345 0.071 0.000 1.167 35 W CB 1.553 30.907 29.460 -0.176 0.000 1.431 35 W HN 1.280 nan 8.180 nan 0.000 0.543 36 G N -0.022 109.020 108.800 0.404 0.000 2.336 36 G HA2 0.465 4.403 3.960 -0.037 0.000 0.286 36 G HA3 0.465 4.403 3.960 -0.037 0.000 0.286 36 G C -0.924 173.956 174.900 -0.034 0.000 1.269 36 G CA -0.250 44.905 45.100 0.092 0.000 0.873 36 G HN 1.193 nan 8.290 nan 0.000 0.494 37 G N -1.144 107.524 108.800 -0.220 0.000 2.552 37 G HA2 0.444 4.381 3.960 -0.037 0.000 0.318 37 G HA3 0.444 4.381 3.960 -0.037 0.000 0.318 37 G C 0.803 175.409 174.900 -0.491 0.000 1.240 37 G CA 0.519 45.472 45.100 -0.244 0.000 1.002 37 G HN 0.799 nan 8.290 nan 0.000 0.493 38 N N -0.463 118.132 118.700 -0.175 0.000 2.091 38 N HA -0.121 4.597 4.740 -0.037 0.000 0.193 38 N C 2.318 177.795 175.510 -0.055 0.000 1.021 38 N CA 2.600 55.629 53.050 -0.034 0.000 0.862 38 N CB -0.465 38.065 38.487 0.073 0.000 1.018 38 N HN 0.509 nan 8.380 nan 0.000 0.429 39 G N 0.265 109.020 108.800 -0.075 0.000 2.476 39 G HA2 -0.347 3.591 3.960 -0.037 0.000 0.218 39 G HA3 -0.347 3.591 3.960 -0.037 0.000 0.218 39 G C 1.657 176.502 174.900 -0.091 0.000 1.164 39 G CA 1.037 46.097 45.100 -0.066 0.000 0.768 39 G HN 0.406 nan 8.290 nan 0.000 0.560 40 R N -0.360 120.051 120.500 -0.147 0.000 2.075 40 R HA -0.053 4.265 4.340 -0.037 0.000 0.232 40 R C 2.395 178.670 176.300 -0.041 0.000 1.126 40 R CA 1.628 57.635 56.100 -0.155 0.000 0.963 40 R CB -0.435 29.758 30.300 -0.179 0.000 0.858 40 R HN 0.651 nan 8.270 nan 0.000 0.435 41 H N -0.583 118.545 119.070 0.097 0.000 2.321 41 H HA -0.132 4.404 4.556 -0.032 0.000 0.300 41 H C 2.133 177.432 175.328 -0.047 0.000 1.087 41 H CA 1.371 57.483 56.048 0.107 0.000 1.319 41 H CB -0.013 29.681 29.762 -0.114 0.000 1.379 41 H HN 0.399 nan 8.280 nan 0.000 0.501 42 E N 1.334 121.578 120.200 0.072 0.000 2.023 42 E HA -0.192 4.136 4.350 -0.037 0.000 0.196 42 E C 2.434 179.018 176.600 -0.027 0.000 1.003 42 E CA 2.038 58.450 56.400 0.019 0.000 0.809 42 E CB -0.060 29.650 29.700 0.017 0.000 0.755 42 E HN 0.382 nan 8.360 nan 0.000 0.449 43 V N -0.517 119.357 119.914 -0.067 0.000 2.490 43 V HA -0.163 3.935 4.120 -0.037 0.000 0.250 43 V C 2.117 178.117 176.094 -0.157 0.000 1.061 43 V CA 2.177 64.418 62.300 -0.098 0.000 1.064 43 V CB -0.975 30.779 31.823 -0.116 0.000 0.670 43 V HN 0.224 nan 8.190 nan 0.000 0.461 44 T N 1.356 115.751 114.554 -0.266 0.000 2.737 44 T HA 0.004 4.332 4.350 -0.037 0.000 0.265 44 T C 1.915 176.452 174.700 -0.272 0.000 1.038 44 T CA 2.061 63.871 62.100 -0.484 0.000 1.144 44 T CB -0.417 67.727 68.868 -1.206 0.000 0.866 44 T HN 0.454 nan 8.240 nan 0.000 0.434 45 L N 0.981 122.150 121.223 -0.090 0.000 2.012 45 L HA -0.127 4.190 4.340 -0.037 0.000 0.210 45 L C 2.820 179.705 176.870 0.025 0.000 1.073 45 L CA 1.383 56.242 54.840 0.031 0.000 0.748 45 L CB -0.574 41.519 42.059 0.057 0.000 0.891 45 L HN 0.191 nan 8.230 nan 0.000 0.431 46 K N 0.702 121.107 120.400 0.009 0.000 2.020 46 K HA -0.268 4.030 4.320 -0.037 0.000 0.212 46 K C 2.082 178.720 176.600 0.064 0.000 1.050 46 K CA 1.905 58.210 56.287 0.031 0.000 0.929 46 K CB -0.198 32.310 32.500 0.013 0.000 0.714 46 K HN 0.296 nan 8.250 nan 0.000 0.443 47 A N 1.385 124.231 122.820 0.043 0.000 1.940 47 A HA -0.128 4.170 4.320 -0.037 0.000 0.219 47 A C 2.249 179.950 177.584 0.195 0.000 1.176 47 A CA 1.392 53.523 52.037 0.157 0.000 0.631 47 A CB -0.499 18.548 19.000 0.078 0.000 0.814 47 A HN 0.369 nan 8.150 nan 0.000 0.446 48 L N -0.182 121.084 121.223 0.070 0.000 2.156 48 L HA -0.177 4.140 4.340 -0.037 0.000 0.208 48 L C 2.672 179.626 176.870 0.140 0.000 1.095 48 L CA 1.420 56.304 54.840 0.075 0.000 0.770 48 L CB -0.599 41.489 42.059 0.047 0.000 0.914 48 L HN 0.641 nan 8.230 nan 0.000 0.439 49 E N 0.107 120.380 120.200 0.122 0.000 2.072 49 E HA -0.205 4.123 4.350 -0.037 0.000 0.191 49 E C 1.637 178.320 176.600 0.138 0.000 0.985 49 E CA 0.932 57.413 56.400 0.136 0.000 0.801 49 E CB -0.360 29.403 29.700 0.105 0.000 0.750 49 E HN 0.500 nan 8.360 nan 0.000 0.452 50 E N 0.714 121.006 120.200 0.153 0.000 2.097 50 E HA -0.216 4.112 4.350 -0.037 0.000 0.196 50 E C 1.983 178.594 176.600 0.018 0.000 1.000 50 E CA 1.266 57.782 56.400 0.194 0.000 0.804 50 E CB -0.432 29.501 29.700 0.388 0.000 0.740 50 E HN 0.308 nan 8.360 nan 0.000 0.454 51 F N 1.605 121.274 119.950 -0.468 0.000 2.102 51 F HA -0.223 4.282 4.527 -0.037 0.000 0.298 51 F C 2.511 178.141 175.800 -0.284 0.000 1.105 51 F CA 2.091 59.481 58.000 -1.017 0.000 1.239 51 F CB -0.443 37.971 39.000 -0.977 0.000 0.991 51 F HN 0.039 nan 8.300 nan 0.000 0.474 52 H N 0.493 119.463 119.070 -0.166 0.000 2.387 52 H HA -0.129 4.406 4.556 -0.034 0.000 0.299 52 H C 2.366 177.597 175.328 -0.162 0.000 1.090 52 H CA 2.204 58.153 56.048 -0.165 0.000 1.332 52 H CB -0.349 29.407 29.762 -0.010 0.000 1.386 52 H HN 0.368 nan 8.280 nan 0.000 0.516 53 K N 0.619 120.920 120.400 -0.165 0.000 2.001 53 K HA -0.206 4.092 4.320 -0.037 0.000 0.214 53 K C 1.872 178.316 176.600 -0.259 0.000 1.050 53 K CA 2.159 58.332 56.287 -0.190 0.000 0.934 53 K CB -0.126 32.340 32.500 -0.056 0.000 0.718 53 K HN 0.474 nan 8.250 nan 0.000 0.443 54 E N -0.911 119.137 120.200 -0.253 0.000 2.418 54 E HA -0.103 4.225 4.350 -0.037 0.000 0.197 54 E C -0.290 175.869 176.600 -0.734 0.000 1.026 54 E CA 0.548 56.727 56.400 -0.369 0.000 0.862 54 E CB 0.115 29.681 29.700 -0.224 0.000 0.799 54 E HN 0.457 nan 8.360 nan 0.000 0.518 55 H N -0.999 117.746 119.070 -0.541 0.000 2.429 55 H HA 0.105 4.639 4.556 -0.037 0.000 0.231 55 H C -1.966 173.085 175.328 -0.461 0.000 1.416 55 H CA -1.605 54.122 56.048 -0.536 0.000 1.443 55 H CB 0.701 29.951 29.762 -0.854 0.000 1.591 55 H HN 0.019 nan 8.280 nan 0.000 0.507 56 P HA -0.189 nan 4.420 nan 0.000 0.221 56 P C 0.824 178.032 177.300 -0.152 0.000 1.145 56 P CA 1.137 63.982 63.100 -0.426 0.000 0.795 56 P CB 0.498 32.027 31.700 -0.286 0.000 0.775 57 N N 0.092 118.744 118.700 -0.080 0.000 2.463 57 N HA -0.022 4.696 4.740 -0.037 0.000 0.181 57 N C 0.531 176.061 175.510 0.033 0.000 1.078 57 N CA 0.286 53.331 53.050 -0.007 0.000 0.902 57 N CB -0.304 38.171 38.487 -0.021 0.000 0.970 57 N HN 0.242 nan 8.380 nan 0.000 0.451 58 I N 1.374 121.982 120.570 0.062 0.000 2.354 58 I HA 0.235 4.383 4.170 -0.037 0.000 0.286 58 I C -0.834 175.410 176.117 0.211 0.000 1.007 58 I CA -0.758 60.599 61.300 0.094 0.000 1.167 58 I CB 0.969 39.018 38.000 0.081 0.000 1.320 58 I HN -0.138 nan 8.210 nan 0.000 0.458 59 N N 4.913 123.676 118.700 0.104 0.000 2.443 59 N HA 0.572 5.290 4.740 -0.037 0.000 0.295 59 N C -1.087 174.439 175.510 0.028 0.000 1.076 59 N CA -0.637 52.417 53.050 0.007 0.000 0.919 59 N CB 2.456 40.914 38.487 -0.048 0.000 1.176 59 N HN 0.207 nan 8.380 nan 0.000 0.487 60 V N 1.436 121.355 119.914 0.010 0.000 2.350 60 V HA 0.250 4.348 4.120 -0.037 0.000 0.285 60 V C 0.021 176.137 176.094 0.036 0.000 1.014 60 V CA -0.857 61.465 62.300 0.036 0.000 0.831 60 V CB 1.156 33.005 31.823 0.043 0.000 1.000 60 V HN 0.606 nan 8.190 nan 0.000 0.433 61 K N 4.003 124.426 120.400 0.038 0.000 2.315 61 K HA 0.521 4.819 4.320 -0.037 0.000 0.291 61 K C 0.267 176.917 176.600 0.084 0.000 1.074 61 K CA -0.219 56.094 56.287 0.043 0.000 0.936 61 K CB 0.637 33.150 32.500 0.021 0.000 1.049 61 K HN 0.849 nan 8.250 nan 0.000 0.471 62 A N 4.977 127.872 122.820 0.126 0.000 2.404 62 A HA 0.138 4.435 4.320 -0.037 0.000 0.273 62 A C -0.530 177.060 177.584 0.009 0.000 1.144 62 A CA -0.267 51.884 52.037 0.190 0.000 0.806 62 A CB 0.151 19.369 19.000 0.365 0.000 1.080 62 A HN 0.845 nan 8.150 nan 0.000 0.509 63 E N 2.422 122.574 120.200 -0.079 0.000 2.969 63 E HA 0.253 4.581 4.350 -0.037 0.000 0.213 63 E C -1.381 175.022 176.600 -0.330 0.000 1.107 63 E CA -0.201 56.084 56.400 -0.192 0.000 1.007 63 E CB 0.377 30.034 29.700 -0.072 0.000 1.326 63 E HN 0.751 nan 8.360 nan 0.000 0.432 64 Y N -0.379 119.471 120.300 -0.750 0.000 2.352 64 Y HA 0.674 5.213 4.550 -0.018 0.000 0.326 64 Y C 0.432 176.040 175.900 -0.485 0.000 1.166 64 Y CA -0.734 56.757 58.100 -1.015 0.000 1.182 64 Y CB 1.071 38.327 38.460 -2.007 0.000 1.216 64 Y HN 0.068 nan 8.280 nan 0.000 0.474 65 T N -0.317 114.172 114.554 -0.108 0.000 2.696 65 T HA 0.740 5.068 4.350 -0.037 0.000 0.291 65 T C 0.207 175.113 174.700 0.344 0.000 1.095 65 T CA -0.555 61.584 62.100 0.064 0.000 1.026 65 T CB 0.992 69.946 68.868 0.143 0.000 1.390 65 T HN 1.123 nan 8.240 nan 0.000 0.513 66 G N -0.859 108.138 108.800 0.329 0.000 2.616 66 G HA2 0.315 4.252 3.960 -0.037 0.000 0.268 66 G HA3 0.315 4.252 3.960 -0.037 0.000 0.268 66 G C 0.511 175.671 174.900 0.433 0.000 1.213 66 G CA -0.611 44.724 45.100 0.393 0.000 0.926 66 G HN 0.850 nan 8.290 nan 0.000 0.523 67 W N -0.015 121.437 121.300 0.254 0.000 2.402 67 W HA -0.032 4.610 4.660 -0.031 0.000 0.286 67 W C 0.220 176.769 176.519 0.051 0.000 1.221 67 W CA 0.701 58.082 57.345 0.060 0.000 1.257 67 W CB 0.204 29.665 29.460 0.002 0.000 1.120 67 W HN 0.395 nan 8.180 nan 0.000 0.551 68 D N 0.225 120.577 120.400 -0.079 0.000 2.417 68 D HA 0.126 4.744 4.640 -0.037 0.000 0.250 68 D C 1.257 177.439 176.300 -0.197 0.000 1.166 68 D CA 1.760 55.645 54.000 -0.192 0.000 0.881 68 D CB 0.578 41.367 40.800 -0.018 0.000 1.164 68 D HN 0.355 nan 8.370 nan 0.000 0.467 69 G N 4.036 112.663 108.800 -0.290 0.000 2.196 69 G HA2 -0.352 3.586 3.960 -0.037 0.000 0.268 69 G HA3 -0.352 3.586 3.960 -0.037 0.000 0.268 69 G C 1.119 175.872 174.900 -0.244 0.000 0.975 69 G CA 0.777 45.738 45.100 -0.233 0.000 0.648 69 G HN 0.822 nan 8.290 nan 0.000 0.538 70 H N -0.310 118.505 119.070 -0.424 0.000 2.363 70 H HA 0.049 4.582 4.556 -0.038 0.000 0.301 70 H C 2.653 177.831 175.328 -0.250 0.000 1.074 70 H CA 1.651 57.546 56.048 -0.254 0.000 1.354 70 H CB 0.040 29.715 29.762 -0.145 0.000 1.397 70 H HN 0.446 nan 8.280 nan 0.000 0.516 71 L N 0.383 121.340 121.223 -0.444 0.000 2.046 71 L HA -0.129 4.188 4.340 -0.037 0.000 0.208 71 L C 2.699 179.396 176.870 -0.288 0.000 1.077 71 L CA 1.650 56.272 54.840 -0.364 0.000 0.747 71 L CB -1.016 40.789 42.059 -0.423 0.000 0.896 71 L HN 0.083 nan 8.230 nan 0.000 0.432 72 S N -0.475 115.060 115.700 -0.276 0.000 2.356 72 S HA -0.204 4.244 4.470 -0.037 0.000 0.223 72 S C 2.052 176.543 174.600 -0.182 0.000 1.032 72 S CA 1.432 59.514 58.200 -0.197 0.000 1.005 72 S CB -0.196 62.897 63.200 -0.179 0.000 0.867 72 S HN 0.683 nan 8.310 nan 0.000 0.449 73 R N 0.595 120.966 120.500 -0.215 0.000 2.066 73 R HA 0.059 4.377 4.340 -0.037 0.000 0.232 73 R C 2.040 178.215 176.300 -0.208 0.000 1.131 73 R CA 1.147 57.129 56.100 -0.197 0.000 0.955 73 R CB -0.724 29.456 30.300 -0.201 0.000 0.851 73 R HN 0.272 nan 8.270 nan 0.000 0.432 74 L N 1.610 122.669 121.223 -0.274 0.000 2.042 74 L HA -0.123 4.195 4.340 -0.037 0.000 0.210 74 L C 2.222 178.933 176.870 -0.264 0.000 1.076 74 L CA 2.087 56.783 54.840 -0.240 0.000 0.749 74 L CB -1.371 40.588 42.059 -0.165 0.000 0.893 74 L HN 0.367 nan 8.230 nan 0.000 0.432 75 T N -0.651 113.809 114.554 -0.155 0.000 2.665 75 T HA -0.204 4.124 4.350 -0.037 0.000 0.268 75 T C 1.837 176.503 174.700 -0.056 0.000 1.035 75 T CA 2.086 64.197 62.100 0.018 0.000 1.151 75 T CB -0.350 68.542 68.868 0.040 0.000 0.862 75 T HN 0.373 nan 8.240 nan 0.000 0.438 76 T N 2.203 116.705 114.554 -0.087 0.000 2.720 76 T HA -0.155 4.173 4.350 -0.037 0.000 0.268 76 T C 2.153 176.798 174.700 -0.092 0.000 1.037 76 T CA 1.328 63.379 62.100 -0.081 0.000 1.144 76 T CB -0.314 68.504 68.868 -0.083 0.000 0.864 76 T HN 0.500 nan 8.240 nan 0.000 0.444 77 Q N 0.135 119.864 119.800 -0.118 0.000 2.020 77 Q HA 0.061 4.379 4.340 -0.037 0.000 0.198 77 Q C 2.458 178.378 176.000 -0.133 0.000 0.974 77 Q CA 1.135 56.873 55.803 -0.109 0.000 0.829 77 Q CB -0.311 28.368 28.738 -0.098 0.000 0.894 77 Q HN 0.487 nan 8.270 nan 0.000 0.433 78 I N 0.824 121.258 120.570 -0.227 0.000 2.163 78 I HA -0.318 3.830 4.170 -0.037 0.000 0.243 78 I C 2.464 178.472 176.117 -0.181 0.000 1.085 78 I CA 1.130 62.252 61.300 -0.297 0.000 1.347 78 I CB -0.474 37.107 38.000 -0.699 0.000 1.044 78 I HN 0.187 nan 8.210 nan 0.000 0.408 79 A N 0.675 123.423 122.820 -0.120 0.000 1.908 79 A HA -0.129 4.169 4.320 -0.037 0.000 0.218 79 A C 2.196 179.749 177.584 -0.053 0.000 1.181 79 A CA 1.935 53.940 52.037 -0.053 0.000 0.627 79 A CB -1.281 17.710 19.000 -0.015 0.000 0.818 79 A HN 0.495 nan 8.150 nan 0.000 0.445 80 G N -1.836 106.929 108.800 -0.057 0.000 3.383 80 G HA2 0.398 4.336 3.960 -0.037 0.000 0.251 80 G HA3 0.398 4.336 3.960 -0.037 0.000 0.251 80 G C 1.041 175.915 174.900 -0.045 0.000 1.203 80 G CA 0.476 45.548 45.100 -0.046 0.000 0.852 80 G HN 1.566 nan 8.290 nan 0.000 0.531 81 G N 0.394 109.161 108.800 -0.054 0.000 2.225 81 G HA2 -0.281 3.657 3.960 -0.037 0.000 0.267 81 G HA3 -0.281 3.657 3.960 -0.037 0.000 0.267 81 G C 0.866 175.745 174.900 -0.034 0.000 1.024 81 G CA 1.238 46.312 45.100 -0.044 0.000 0.784 81 G HN 1.281 nan 8.290 nan 0.000 0.507 82 T N -1.998 112.530 114.554 -0.043 0.000 3.228 82 T HA 0.480 4.807 4.350 -0.037 0.000 0.278 82 T C 0.701 175.386 174.700 -0.026 0.000 1.014 82 T CA 0.428 62.511 62.100 -0.029 0.000 0.904 82 T CB 0.604 69.453 68.868 -0.032 0.000 1.110 82 T HN 0.725 nan 8.240 nan 0.000 0.541 83 E N 1.619 121.801 120.200 -0.030 0.000 2.392 83 E HA 0.285 4.612 4.350 -0.037 0.000 0.256 83 E C -2.812 173.809 176.600 0.036 0.000 1.145 83 E CA -1.992 54.401 56.400 -0.010 0.000 0.929 83 E CB 0.036 29.719 29.700 -0.027 0.000 0.998 83 E HN 0.090 nan 8.360 nan 0.000 0.442 84 P HA 0.028 nan 4.420 nan 0.000 0.269 84 P C 0.288 177.643 177.300 0.092 0.000 1.215 84 P CA -0.167 62.984 63.100 0.085 0.000 0.780 84 P CB 0.448 32.219 31.700 0.119 0.000 0.898 85 D N -0.071 120.374 120.400 0.075 0.000 2.116 85 D HA -0.094 4.524 4.640 -0.037 0.000 0.193 85 D C 0.374 176.708 176.300 0.056 0.000 0.998 85 D CA 1.658 55.693 54.000 0.058 0.000 0.836 85 D CB 0.022 40.851 40.800 0.049 0.000 0.951 85 D HN 0.117 nan 8.370 nan 0.000 0.449 86 V N 1.109 121.059 119.914 0.060 0.000 2.487 86 V HA 0.350 4.448 4.120 -0.037 0.000 0.298 86 V C -0.144 176.019 176.094 0.115 0.000 1.028 86 V CA -0.439 61.891 62.300 0.049 0.000 0.860 86 V CB 2.004 33.815 31.823 -0.019 0.000 0.991 86 V HN -0.008 nan 8.190 nan 0.000 0.427 87 M N 3.573 123.247 119.600 0.122 0.000 2.326 87 M HA 0.447 4.905 4.480 -0.037 0.000 0.306 87 M C -0.428 175.923 176.300 0.084 0.000 1.054 87 M CA -0.367 55.049 55.300 0.195 0.000 0.922 87 M CB 2.227 35.009 32.600 0.303 0.000 1.632 87 M HN 0.694 nan 8.290 nan 0.000 0.436 88 Q N 2.562 122.433 119.800 0.118 0.000 2.297 88 Q HA 0.277 4.595 4.340 -0.037 0.000 0.267 88 Q C -0.754 175.200 176.000 -0.075 0.000 1.006 88 Q CA 0.264 56.029 55.803 -0.064 0.000 0.896 88 Q CB 0.785 29.410 28.738 -0.188 0.000 1.186 88 Q HN 0.768 nan 8.270 nan 0.000 0.392 89 T N 0.953 115.319 114.554 -0.313 0.000 2.901 89 T HA 0.497 4.824 4.350 -0.037 0.000 0.293 89 T C -0.460 173.905 174.700 -0.558 0.000 1.084 89 T CA -1.073 60.560 62.100 -0.779 0.000 1.008 89 T CB 1.429 69.959 68.868 -0.564 0.000 1.170 89 T HN 0.507 nan 8.240 nan 0.000 0.509 90 N N 0.023 118.167 118.700 -0.926 0.000 2.492 90 N HA 0.242 4.960 4.740 -0.037 0.000 0.289 90 N C 0.280 175.820 175.510 0.050 0.000 1.133 90 N CA -0.831 52.071 53.050 -0.246 0.000 0.961 90 N CB 1.142 39.601 38.487 -0.046 0.000 1.186 90 N HN 0.841 nan 8.380 nan 0.000 0.493 91 W N 2.579 123.848 121.300 -0.052 0.000 2.304 91 W HA -0.211 4.426 4.660 -0.038 0.000 0.315 91 W C 1.643 178.218 176.519 0.094 0.000 1.233 91 W CA 1.765 59.115 57.345 0.008 0.000 1.261 91 W CB -0.610 28.858 29.460 0.015 0.000 1.150 91 W HN 0.710 nan 8.180 nan 0.000 0.494 92 N N -0.927 117.908 118.700 0.225 0.000 2.609 92 N HA -0.202 4.516 4.740 -0.037 0.000 0.190 92 N C 1.098 176.784 175.510 0.295 0.000 1.157 92 N CA 1.213 54.325 53.050 0.102 0.000 0.918 92 N CB -1.537 37.016 38.487 0.109 0.000 0.978 92 N HN 0.150 nan 8.380 nan 0.000 0.448 93 W N 0.793 122.182 121.300 0.148 0.000 2.699 93 W HA 0.296 4.932 4.660 -0.040 0.000 0.249 93 W C 1.838 178.573 176.519 0.359 0.000 1.280 93 W CA -0.240 57.294 57.345 0.316 0.000 1.345 93 W CB -0.390 29.432 29.460 0.604 0.000 1.128 93 W HN 0.085 nan 8.180 nan 0.000 0.642 94 L N 0.451 121.904 121.223 0.383 0.000 2.023 94 L HA -0.113 4.205 4.340 -0.037 0.000 0.205 94 L C -0.006 176.921 176.870 0.095 0.000 1.073 94 L CA 1.220 56.218 54.840 0.263 0.000 0.745 94 L CB -2.138 39.985 42.059 0.106 0.000 0.900 94 L HN -0.173 nan 8.230 nan 0.000 0.435 95 P HA -0.197 nan 4.420 nan 0.000 0.216 95 P C 1.816 179.080 177.300 -0.060 0.000 1.153 95 P CA 1.665 64.700 63.100 -0.109 0.000 0.858 95 P CB 0.044 31.573 31.700 -0.284 0.000 0.789 96 I N -2.965 117.508 120.570 -0.161 0.000 2.202 96 I HA -0.214 3.934 4.170 -0.037 0.000 0.242 96 I C 1.650 177.427 176.117 -0.566 0.000 1.091 96 I CA 1.622 62.626 61.300 -0.495 0.000 1.368 96 I CB -0.334 37.123 38.000 -0.903 0.000 1.058 96 I HN -0.132 nan 8.210 nan 0.000 0.410 97 F N -1.761 118.211 119.950 0.036 0.000 2.752 97 F HA 0.234 4.739 4.527 -0.037 0.000 0.310 97 F C 1.448 177.203 175.800 -0.074 0.000 1.097 97 F CA -0.069 57.887 58.000 -0.074 0.000 1.238 97 F CB 0.330 39.211 39.000 -0.197 0.000 1.061 97 F HN -0.230 nan 8.300 nan 0.000 0.591 98 S N -0.081 115.753 115.700 0.223 0.000 2.526 98 S HA 0.236 4.684 4.470 -0.037 0.000 0.220 98 S C 0.994 175.696 174.600 0.169 0.000 1.159 98 S CA -0.363 57.950 58.200 0.189 0.000 1.196 98 S CB -0.246 63.144 63.200 0.317 0.000 1.225 98 S HN 0.116 nan 8.310 nan 0.000 0.432 99 K N 0.965 121.444 120.400 0.132 0.000 2.103 99 K HA -0.126 4.172 4.320 -0.037 0.000 0.207 99 K C 1.103 177.769 176.600 0.111 0.000 1.048 99 K CA 1.884 58.258 56.287 0.147 0.000 0.930 99 K CB -0.060 32.496 32.500 0.094 0.000 0.716 99 K HN 0.560 nan 8.250 nan 0.000 0.444 100 D N -1.683 118.765 120.400 0.080 0.000 2.349 100 D HA 0.078 4.696 4.640 -0.037 0.000 0.214 100 D C 1.045 177.392 176.300 0.079 0.000 1.063 100 D CA 0.594 54.632 54.000 0.065 0.000 0.847 100 D CB 0.593 41.415 40.800 0.037 0.000 0.933 100 D HN 0.243 nan 8.370 nan 0.000 0.513 101 G N 0.191 109.056 108.800 0.108 0.000 2.213 101 G HA2 -0.313 3.625 3.960 -0.037 0.000 0.236 101 G HA3 -0.313 3.625 3.960 -0.037 0.000 0.236 101 G C 1.089 176.051 174.900 0.104 0.000 0.991 101 G CA 0.601 45.772 45.100 0.119 0.000 0.629 101 G HN 0.649 nan 8.290 nan 0.000 0.517 102 T N -1.509 113.086 114.554 0.069 0.000 3.105 102 T HA 0.478 4.806 4.350 -0.037 0.000 0.253 102 T C 2.022 176.724 174.700 0.004 0.000 1.047 102 T CA 1.167 63.286 62.100 0.032 0.000 0.944 102 T CB 0.705 69.578 68.868 0.009 0.000 1.016 102 T HN 1.067 nan 8.240 nan 0.000 0.544 103 G N 0.237 109.032 108.800 -0.008 0.000 2.623 103 G HA2 0.349 4.286 3.960 -0.037 0.000 0.214 103 G HA3 0.349 4.286 3.960 -0.037 0.000 0.214 103 G C -0.076 174.528 174.900 -0.494 0.000 1.138 103 G CA -0.007 44.959 45.100 -0.223 0.000 0.794 103 G HN 0.500 nan 8.290 nan 0.000 0.535 104 F N -2.668 117.347 119.950 0.109 0.000 2.613 104 F HA 0.479 4.982 4.527 -0.039 0.000 0.314 104 F C -0.454 175.415 175.800 0.115 0.000 1.075 104 F CA -2.007 56.066 58.000 0.122 0.000 0.945 104 F CB 1.168 40.249 39.000 0.136 0.000 1.310 104 F HN -0.051 nan 8.300 nan 0.000 0.467 105 Y N 2.023 122.459 120.300 0.227 0.000 2.597 105 Y HA 0.008 4.536 4.550 -0.037 0.000 0.336 105 Y C 0.644 176.604 175.900 0.100 0.000 1.216 105 Y CA 0.123 58.300 58.100 0.128 0.000 1.463 105 Y CB 0.355 38.876 38.460 0.101 0.000 1.303 105 Y HN 0.591 nan 8.280 nan 0.000 0.576 106 N N 6.080 124.693 118.700 -0.145 0.000 2.401 106 N HA 0.065 4.783 4.740 -0.037 0.000 0.255 106 N C 0.421 175.973 175.510 0.070 0.000 1.110 106 N CA -0.343 52.678 53.050 -0.050 0.000 0.949 106 N CB 0.445 38.884 38.487 -0.079 0.000 1.110 106 N HN 0.855 nan 8.380 nan 0.000 0.490 107 L N 3.253 124.474 121.223 -0.003 0.000 2.456 107 L HA -0.090 4.227 4.340 -0.037 0.000 0.224 107 L C 1.157 178.056 176.870 0.048 0.000 1.148 107 L CA 0.478 55.326 54.840 0.014 0.000 0.825 107 L CB -0.362 41.626 42.059 -0.118 0.000 0.937 107 L HN 0.617 nan 8.230 nan 0.000 0.450 108 F N -0.139 119.866 119.950 0.092 0.000 2.365 108 F HA -0.118 4.387 4.527 -0.036 0.000 0.300 108 F C 2.596 178.448 175.800 0.087 0.000 1.090 108 F CA 0.702 58.747 58.000 0.075 0.000 1.408 108 F CB -0.832 38.200 39.000 0.052 0.000 1.060 108 F HN -0.026 nan 8.300 nan 0.000 0.534 109 S N -0.424 115.441 115.700 0.274 0.000 2.474 109 S HA -0.044 4.404 4.470 -0.037 0.000 0.235 109 S C 1.378 176.121 174.600 0.238 0.000 0.997 109 S CA 1.182 59.523 58.200 0.235 0.000 0.949 109 S CB -0.274 63.076 63.200 0.249 0.000 0.766 109 S HN 0.237 nan 8.310 nan 0.000 0.517 110 V N -0.521 119.530 119.914 0.228 0.000 2.925 110 V HA 0.345 4.443 4.120 -0.037 0.000 0.361 110 V C 0.831 177.013 176.094 0.148 0.000 1.361 110 V CA -0.598 61.805 62.300 0.171 0.000 1.184 110 V CB -0.190 31.716 31.823 0.138 0.000 1.245 110 V HN 0.366 nan 8.190 nan 0.000 0.575 111 K N -0.088 120.413 120.400 0.169 0.000 2.439 111 K HA -0.002 4.296 4.320 -0.037 0.000 0.197 111 K C 1.526 178.205 176.600 0.131 0.000 1.041 111 K CA 1.578 57.967 56.287 0.170 0.000 0.970 111 K CB 0.189 32.816 32.500 0.211 0.000 0.773 111 K HN 0.465 nan 8.250 nan 0.000 0.479 112 E N 1.357 121.626 120.200 0.114 0.000 2.158 112 E HA -0.101 4.227 4.350 -0.037 0.000 0.191 112 E C 1.451 178.108 176.600 0.095 0.000 0.982 112 E CA 1.083 57.540 56.400 0.095 0.000 0.823 112 E CB 0.179 29.929 29.700 0.083 0.000 0.766 112 E HN 0.384 nan 8.360 nan 0.000 0.468 113 Q N -0.736 119.124 119.800 0.101 0.000 2.398 113 Q HA 0.190 4.507 4.340 -0.037 0.000 0.204 113 Q C -0.593 175.474 176.000 0.111 0.000 0.932 113 Q CA 0.230 56.095 55.803 0.104 0.000 0.916 113 Q CB 0.482 29.277 28.738 0.095 0.000 1.024 113 Q HN 0.098 nan 8.270 nan 0.000 0.504 114 L N 1.204 122.496 121.223 0.115 0.000 2.316 114 L HA 0.286 4.604 4.340 -0.037 0.000 0.280 114 L C -1.097 175.865 176.870 0.153 0.000 1.006 114 L CA -0.697 54.222 54.840 0.133 0.000 0.836 114 L CB 1.540 43.666 42.059 0.111 0.000 1.221 114 L HN -0.123 nan 8.230 nan 0.000 0.418 115 D N 4.275 124.765 120.400 0.151 0.000 2.489 115 D HA 0.052 4.670 4.640 -0.037 0.000 0.237 115 D C 1.246 177.651 176.300 0.175 0.000 1.212 115 D CA 0.297 54.363 54.000 0.110 0.000 1.058 115 D CB 0.257 41.079 40.800 0.037 0.000 1.098 115 D HN 0.555 nan 8.370 nan 0.000 0.509 116 L N 1.991 123.349 121.223 0.225 0.000 2.201 116 L HA -0.111 4.207 4.340 -0.037 0.000 0.212 116 L C 2.329 179.332 176.870 0.221 0.000 1.105 116 L CA 0.917 55.958 54.840 0.334 0.000 0.775 116 L CB -0.293 41.930 42.059 0.275 0.000 0.913 116 L HN 0.354 nan 8.230 nan 0.000 0.440 117 A N -0.756 122.111 122.820 0.078 0.000 2.172 117 A HA -0.161 4.137 4.320 -0.037 0.000 0.216 117 A C 2.134 179.650 177.584 -0.114 0.000 1.154 117 A CA 0.903 52.942 52.037 0.004 0.000 0.701 117 A CB -0.222 18.774 19.000 -0.007 0.000 0.789 117 A HN 0.365 nan 8.150 nan 0.000 0.465 118 Q N -0.882 118.743 119.800 -0.293 0.000 2.291 118 Q HA -0.006 4.311 4.340 -0.037 0.000 0.205 118 Q C -0.570 175.004 176.000 -0.710 0.000 0.970 118 Q CA 0.697 56.136 55.803 -0.607 0.000 0.876 118 Q CB -0.255 27.926 28.738 -0.929 0.000 0.935 118 Q HN 0.698 nan 8.270 nan 0.000 0.455 119 F N 0.892 120.821 119.950 -0.035 0.000 2.444 119 F HA 0.243 4.748 4.527 -0.037 0.000 0.342 119 F C 0.652 176.426 175.800 -0.044 0.000 1.121 119 F CA -1.569 56.401 58.000 -0.051 0.000 0.997 119 F CB 0.913 39.882 39.000 -0.052 0.000 1.130 119 F HN -0.205 nan 8.300 nan 0.000 0.454 120 D N 5.310 125.746 120.400 0.061 0.000 2.493 120 D HA -0.015 4.603 4.640 -0.037 0.000 0.240 120 D C -1.476 174.851 176.300 0.044 0.000 1.142 120 D CA -0.914 53.091 54.000 0.008 0.000 0.872 120 D CB 1.573 42.339 40.800 -0.057 0.000 1.173 120 D HN 0.229 nan 8.370 nan 0.000 0.467 121 P HA -0.187 nan 4.420 nan 0.000 0.219 121 P C 1.305 178.642 177.300 0.061 0.000 1.146 121 P CA 1.316 64.461 63.100 0.076 0.000 0.808 121 P CB -0.039 31.698 31.700 0.062 0.000 0.779 122 K N 0.375 120.787 120.400 0.020 0.000 2.044 122 K HA -0.206 4.092 4.320 -0.037 0.000 0.210 122 K C 1.739 178.354 176.600 0.024 0.000 1.049 122 K CA 1.405 57.705 56.287 0.021 0.000 0.927 122 K CB -0.779 31.712 32.500 -0.014 0.000 0.713 122 K HN 0.026 nan 8.250 nan 0.000 0.443 123 E N 1.344 121.533 120.200 -0.017 0.000 2.047 123 E HA -0.101 4.226 4.350 -0.037 0.000 0.191 123 E C 2.344 178.942 176.600 -0.003 0.000 0.987 123 E CA 1.137 57.514 56.400 -0.039 0.000 0.799 123 E CB -0.305 29.358 29.700 -0.061 0.000 0.752 123 E HN 0.406 nan 8.360 nan 0.000 0.449 124 L N 0.896 122.139 121.223 0.033 0.000 2.083 124 L HA -0.220 4.098 4.340 -0.037 0.000 0.209 124 L C 2.634 179.552 176.870 0.080 0.000 1.083 124 L CA 1.143 56.003 54.840 0.034 0.000 0.752 124 L CB -0.548 41.558 42.059 0.078 0.000 0.899 124 L HN 0.138 nan 8.230 nan 0.000 0.433 125 Q N -0.111 119.758 119.800 0.116 0.000 2.152 125 Q HA -0.282 4.035 4.340 -0.037 0.000 0.206 125 Q C 2.199 178.297 176.000 0.163 0.000 0.985 125 Q CA 1.695 57.584 55.803 0.143 0.000 0.863 125 Q CB -0.178 28.636 28.738 0.127 0.000 0.904 125 Q HN 0.603 nan 8.270 nan 0.000 0.422 126 Q N -0.451 119.448 119.800 0.166 0.000 2.297 126 Q HA -0.078 4.240 4.340 -0.037 0.000 0.204 126 Q C 1.369 177.595 176.000 0.377 0.000 0.962 126 Q CA 1.480 57.459 55.803 0.293 0.000 0.879 126 Q CB 0.174 29.058 28.738 0.243 0.000 0.947 126 Q HN 0.441 nan 8.270 nan 0.000 0.462 127 T N -2.804 111.869 114.554 0.197 0.000 3.176 127 T HA 0.170 4.497 4.350 -0.037 0.000 0.263 127 T C 0.312 175.062 174.700 0.085 0.000 1.021 127 T CA -0.385 61.810 62.100 0.158 0.000 0.905 127 T CB 0.417 69.301 68.868 0.026 0.000 1.057 127 T HN -0.171 nan 8.240 nan 0.000 0.558 128 T N 2.209 116.833 114.554 0.117 0.000 2.794 128 T HA 0.624 4.952 4.350 -0.037 0.000 0.280 128 T C -0.638 174.147 174.700 0.142 0.000 0.987 128 T CA -0.481 61.683 62.100 0.106 0.000 0.993 128 T CB 1.728 70.693 68.868 0.160 0.000 0.939 128 T HN 0.148 nan 8.240 nan 0.000 0.449 129 V N 4.384 124.379 119.914 0.136 0.000 2.531 129 V HA 0.371 4.469 4.120 -0.037 0.000 0.301 129 V C 0.114 176.283 176.094 0.126 0.000 1.034 129 V CA -1.313 61.071 62.300 0.140 0.000 0.865 129 V CB 1.553 33.467 31.823 0.152 0.000 0.995 129 V HN 0.977 nan 8.190 nan 0.000 0.424 130 N N 3.716 122.483 118.700 0.112 0.000 2.698 130 N HA -0.244 4.474 4.740 -0.037 0.000 0.258 130 N C 1.278 176.855 175.510 0.111 0.000 0.978 130 N CA 1.419 54.526 53.050 0.094 0.000 0.777 130 N CB -0.884 37.645 38.487 0.071 0.000 0.907 130 N HN 1.617 nan 8.380 nan 0.000 0.543 131 G N -1.321 107.566 108.800 0.144 0.000 2.189 131 G HA2 -0.368 3.570 3.960 -0.037 0.000 0.267 131 G HA3 -0.368 3.570 3.960 -0.037 0.000 0.267 131 G C -0.018 175.055 174.900 0.289 0.000 0.975 131 G CA 0.911 46.128 45.100 0.196 0.000 0.644 131 G HN 0.555 nan 8.290 nan 0.000 0.537 132 K N -0.024 120.496 120.400 0.200 0.000 2.265 132 K HA 0.569 4.867 4.320 -0.037 0.000 0.267 132 K C -0.284 176.316 176.600 0.001 0.000 0.994 132 K CA -1.030 55.344 56.287 0.144 0.000 0.860 132 K CB 2.047 34.604 32.500 0.094 0.000 1.099 132 K HN 0.104 nan 8.250 nan 0.000 0.448 133 L N 4.041 125.073 121.223 -0.319 0.000 2.407 133 L HA 0.093 4.411 4.340 -0.037 0.000 0.282 133 L C 0.374 177.109 176.870 -0.224 0.000 1.110 133 L CA 0.725 55.254 54.840 -0.518 0.000 0.863 133 L CB -0.238 41.076 42.059 -1.242 0.000 1.207 133 L HN 0.631 nan 8.230 nan 0.000 0.454 134 N N 3.015 121.666 118.700 -0.081 0.000 2.405 134 N HA 0.172 4.889 4.740 -0.037 0.000 0.175 134 N C 0.372 175.808 175.510 -0.125 0.000 1.051 134 N CA 0.512 53.575 53.050 0.020 0.000 0.899 134 N CB 0.653 39.244 38.487 0.173 0.000 1.000 134 N HN 0.719 nan 8.380 nan 0.000 0.451 135 G N 0.431 109.134 108.800 -0.162 0.000 2.720 135 G HA2 0.478 4.416 3.960 -0.037 0.000 0.295 135 G HA3 0.478 4.416 3.960 -0.037 0.000 0.295 135 G C -1.490 173.260 174.900 -0.249 0.000 1.437 135 G CA -0.498 44.467 45.100 -0.224 0.000 0.886 135 G HN -0.107 nan 8.290 nan 0.000 0.509 136 I N 1.486 121.867 120.570 -0.316 0.000 2.354 136 I HA 0.330 4.478 4.170 -0.037 0.000 0.292 136 I C -2.372 173.512 176.117 -0.388 0.000 0.989 136 I CA -2.606 58.421 61.300 -0.455 0.000 1.188 136 I CB 1.675 39.252 38.000 -0.705 0.000 1.342 136 I HN 0.102 nan 8.210 nan 0.000 0.457 137 P HA 0.266 nan 4.420 nan 0.000 0.271 137 P C 1.055 178.217 177.300 -0.229 0.000 1.226 137 P CA -0.036 62.909 63.100 -0.258 0.000 0.765 137 P CB 0.957 32.523 31.700 -0.223 0.000 0.835 138 I N 1.006 121.453 120.570 -0.204 0.000 2.142 138 I HA -0.176 3.972 4.170 -0.037 0.000 0.240 138 I C 1.110 177.167 176.117 -0.100 0.000 1.078 138 I CA 1.715 62.922 61.300 -0.155 0.000 1.343 138 I CB -0.227 37.657 38.000 -0.194 0.000 1.046 138 I HN 0.439 nan 8.210 nan 0.000 0.405 139 S N -0.514 115.111 115.700 -0.125 0.000 2.596 139 S HA 0.679 5.127 4.470 -0.037 0.000 0.270 139 S C -0.651 173.874 174.600 -0.125 0.000 1.155 139 S CA -0.837 57.302 58.200 -0.102 0.000 0.827 139 S CB 2.090 65.226 63.200 -0.107 0.000 1.130 139 S HN 0.069 nan 8.310 nan 0.000 0.467 140 V N -1.852 118.009 119.914 -0.088 0.000 3.141 140 V HA 0.974 5.072 4.120 -0.037 0.000 0.312 140 V C -0.388 175.683 176.094 -0.037 0.000 1.157 140 V CA -0.434 61.815 62.300 -0.085 0.000 1.041 140 V CB 1.345 33.160 31.823 -0.015 0.000 1.071 140 V HN 1.190 nan 8.190 nan 0.000 0.441 141 T N 0.560 115.082 114.554 -0.053 0.000 2.907 141 T HA 0.861 5.189 4.350 -0.037 0.000 0.292 141 T C -0.608 174.174 174.700 0.137 0.000 1.043 141 T CA 0.189 62.297 62.100 0.015 0.000 1.003 141 T CB 1.495 70.303 68.868 -0.100 0.000 1.084 141 T HN 1.852 nan 8.240 nan 0.000 0.483 142 A N 3.291 126.159 122.820 0.079 0.000 2.401 142 A HA 0.816 5.114 4.320 -0.037 0.000 0.310 142 A C -0.516 176.866 177.584 -0.336 0.000 1.075 142 A CA -0.861 51.038 52.037 -0.230 0.000 0.746 142 A CB 1.263 19.831 19.000 -0.721 0.000 1.277 142 A HN 0.865 nan 8.150 nan 0.000 0.425 143 R N 1.204 121.266 120.500 -0.730 0.000 2.308 143 R HA 0.577 4.894 4.340 -0.037 0.000 0.305 143 R C -0.145 175.651 176.300 -0.841 0.000 1.053 143 R CA -0.092 55.356 56.100 -1.087 0.000 0.957 143 R CB 0.759 30.097 30.300 -1.602 0.000 1.022 143 R HN 0.734 nan 8.270 nan 0.000 0.461 144 I N -1.344 118.765 120.570 -0.769 0.000 3.263 144 I HA 0.444 4.592 4.170 -0.037 0.000 0.314 144 I C -1.171 174.618 176.117 -0.547 0.000 1.269 144 I CA -1.119 59.926 61.300 -0.425 0.000 0.942 144 I CB 1.334 39.186 38.000 -0.247 0.000 1.305 144 I HN 0.320 nan 8.210 nan 0.000 0.474 145 F N 1.922 121.657 119.950 -0.358 0.000 2.396 145 F HA 0.564 5.069 4.527 -0.036 0.000 0.343 145 F C -0.495 174.787 175.800 -0.863 0.000 1.104 145 F CA 0.263 57.930 58.000 -0.554 0.000 1.161 145 F CB 0.861 39.456 39.000 -0.674 0.000 1.146 145 F HN 0.252 nan 8.300 nan 0.000 0.522 146 Y N 2.210 122.201 120.300 -0.515 0.000 2.499 146 Y HA 0.623 5.151 4.550 -0.037 0.000 0.347 146 Y C -0.909 174.623 175.900 -0.612 0.000 0.987 146 Y CA -1.145 56.668 58.100 -0.479 0.000 1.044 146 Y CB 1.716 40.061 38.460 -0.192 0.000 1.245 146 Y HN 0.298 nan 8.280 nan 0.000 0.461 147 F N 0.751 120.714 119.950 0.022 0.000 2.563 147 F HA 0.297 4.802 4.527 -0.036 0.000 0.316 147 F C -0.058 175.823 175.800 0.134 0.000 1.076 147 F CA -1.482 56.501 58.000 -0.028 0.000 0.921 147 F CB 1.398 39.946 39.000 -0.752 0.000 1.209 147 F HN 0.401 nan 8.300 nan 0.000 0.462 148 N N 2.768 121.795 118.700 0.545 0.000 2.402 148 N HA -0.027 4.691 4.740 -0.037 0.000 0.259 148 N C 0.758 176.598 175.510 0.550 0.000 1.167 148 N CA 0.080 53.370 53.050 0.399 0.000 0.949 148 N CB 0.519 39.163 38.487 0.262 0.000 1.212 148 N HN 0.710 nan 8.380 nan 0.000 0.493 149 D N 3.832 124.466 120.400 0.390 0.000 2.123 149 D HA -0.213 4.404 4.640 -0.037 0.000 0.196 149 D C 1.429 177.927 176.300 0.330 0.000 0.992 149 D CA 1.503 55.750 54.000 0.411 0.000 0.833 149 D CB -0.518 40.460 40.800 0.298 0.000 0.954 149 D HN 0.426 nan 8.370 nan 0.000 0.455 150 A N 0.465 123.421 122.820 0.226 0.000 1.883 150 A HA -0.158 4.140 4.320 -0.037 0.000 0.217 150 A C 2.450 180.108 177.584 0.124 0.000 1.186 150 A CA 2.661 54.782 52.037 0.139 0.000 0.624 150 A CB -1.190 17.864 19.000 0.091 0.000 0.822 150 A HN 0.371 nan 8.150 nan 0.000 0.444 151 T N -1.750 112.913 114.554 0.180 0.000 2.821 151 T HA -0.175 4.153 4.350 -0.037 0.000 0.267 151 T C 1.468 176.128 174.700 -0.067 0.000 1.046 151 T CA 1.382 63.520 62.100 0.063 0.000 1.139 151 T CB -0.339 68.636 68.868 0.179 0.000 0.871 151 T HN 0.693 nan 8.240 nan 0.000 0.454 152 W N 1.509 122.886 121.300 0.128 0.000 2.402 152 W HA 0.208 4.846 4.660 -0.037 0.000 0.286 152 W C 2.756 179.221 176.519 -0.091 0.000 1.221 152 W CA 0.479 57.873 57.345 0.082 0.000 1.257 152 W CB -0.575 29.027 29.460 0.237 0.000 1.120 152 W HN 0.219 nan 8.180 nan 0.000 0.551 153 A N 1.392 124.297 122.820 0.142 0.000 1.902 153 A HA -0.243 4.055 4.320 -0.037 0.000 0.217 153 A C 2.010 179.547 177.584 -0.077 0.000 1.181 153 A CA 2.234 54.284 52.037 0.021 0.000 0.623 153 A CB -0.790 18.234 19.000 0.041 0.000 0.818 153 A HN 0.439 nan 8.150 nan 0.000 0.443 154 K N -0.302 120.017 120.400 -0.134 0.000 2.148 154 K HA 0.120 4.418 4.320 -0.037 0.000 0.204 154 K C 1.934 178.331 176.600 -0.339 0.000 1.050 154 K CA 1.192 57.342 56.287 -0.229 0.000 0.942 154 K CB -0.476 31.869 32.500 -0.259 0.000 0.724 154 K HN 0.267 nan 8.250 nan 0.000 0.446 155 A N 1.617 124.152 122.820 -0.474 0.000 2.121 155 A HA 0.103 4.401 4.320 -0.037 0.000 0.218 155 A C 1.751 179.165 177.584 -0.285 0.000 1.154 155 A CA 1.009 52.705 52.037 -0.568 0.000 0.679 155 A CB -0.950 17.463 19.000 -0.977 0.000 0.795 155 A HN 0.604 nan 8.150 nan 0.000 0.458 156 G N -1.443 107.249 108.800 -0.180 0.000 2.221 156 G HA2 -0.211 3.727 3.960 -0.037 0.000 0.265 156 G HA3 -0.211 3.727 3.960 -0.037 0.000 0.265 156 G C -0.098 174.760 174.900 -0.071 0.000 1.041 156 G CA 0.533 45.567 45.100 -0.110 0.000 0.807 156 G HN 0.492 nan 8.290 nan 0.000 0.502 157 L N 0.312 121.524 121.223 -0.017 0.000 2.346 157 L HA 0.473 4.790 4.340 -0.037 0.000 0.274 157 L C 0.536 177.422 176.870 0.027 0.000 1.007 157 L CA -1.302 53.583 54.840 0.074 0.000 0.818 157 L CB 1.325 43.513 42.059 0.214 0.000 1.284 157 L HN 0.164 nan 8.230 nan 0.000 0.424 158 E N 1.389 121.537 120.200 -0.088 0.000 2.408 158 E HA 0.097 4.425 4.350 -0.037 0.000 0.259 158 E C -1.017 175.358 176.600 -0.374 0.000 1.110 158 E CA -0.325 55.890 56.400 -0.307 0.000 0.929 158 E CB 0.246 29.815 29.700 -0.219 0.000 0.971 158 E HN 0.209 nan 8.360 nan 0.000 0.438 159 Y N 0.161 120.183 120.300 -0.463 0.000 2.597 159 Y HA 0.103 4.631 4.550 -0.037 0.000 0.336 159 Y C -1.714 173.853 175.900 -0.555 0.000 1.216 159 Y CA -2.011 55.500 58.100 -0.980 0.000 1.463 159 Y CB -0.871 37.042 38.460 -0.911 0.000 1.303 159 Y HN 0.230 nan 8.280 nan 0.000 0.576 160 P HA 0.096 nan 4.420 nan 0.000 0.268 160 P C -0.022 177.126 177.300 -0.253 0.000 1.204 160 P CA -0.115 62.823 63.100 -0.269 0.000 0.768 160 P CB 0.746 32.261 31.700 -0.309 0.000 0.842 161 K N 0.399 120.688 120.400 -0.186 0.000 2.352 161 K HA 0.095 4.393 4.320 -0.037 0.000 0.194 161 K C 0.756 177.232 176.600 -0.207 0.000 1.038 161 K CA 0.720 56.910 56.287 -0.161 0.000 1.023 161 K CB 0.283 32.728 32.500 -0.092 0.000 0.840 161 K HN 0.610 nan 8.250 nan 0.000 0.519 162 T N -4.325 110.092 114.554 -0.229 0.000 2.883 162 T HA 0.213 4.541 4.350 -0.037 0.000 0.296 162 T C 0.253 174.790 174.700 -0.273 0.000 1.117 162 T CA -0.943 61.023 62.100 -0.225 0.000 1.006 162 T CB 0.673 69.519 68.868 -0.037 0.000 1.191 162 T HN 0.148 nan 8.240 nan 0.000 0.508 163 W N 0.440 121.745 121.300 0.009 0.000 2.363 163 W HA 0.006 4.644 4.660 -0.037 0.000 0.296 163 W C 1.869 178.380 176.519 -0.014 0.000 1.212 163 W CA 0.978 58.331 57.345 0.013 0.000 1.260 163 W CB -0.348 29.189 29.460 0.128 0.000 1.131 163 W HN 0.704 nan 8.180 nan 0.000 0.530 164 D N 0.168 120.694 120.400 0.210 0.000 2.144 164 D HA -0.160 4.458 4.640 -0.037 0.000 0.199 164 D C 1.751 178.083 176.300 0.053 0.000 0.984 164 D CA 1.424 55.490 54.000 0.111 0.000 0.834 164 D CB -0.359 40.494 40.800 0.089 0.000 0.955 164 D HN 0.324 nan 8.370 nan 0.000 0.465 165 E N -0.215 119.994 120.200 0.014 0.000 2.152 165 E HA -0.114 4.214 4.350 -0.037 0.000 0.192 165 E C 1.975 178.577 176.600 0.004 0.000 0.983 165 E CA 0.057 56.454 56.400 -0.005 0.000 0.818 165 E CB 0.040 29.716 29.700 -0.040 0.000 0.758 165 E HN 0.099 nan 8.360 nan 0.000 0.467 166 L N 1.137 122.344 121.223 -0.026 0.000 1.994 166 L HA -0.188 4.130 4.340 -0.037 0.000 0.208 166 L C 1.974 178.868 176.870 0.039 0.000 1.071 166 L CA 1.649 56.483 54.840 -0.010 0.000 0.745 166 L CB -0.462 41.566 42.059 -0.052 0.000 0.892 166 L HN 0.123 nan 8.230 nan 0.000 0.431 167 L N -0.450 120.805 121.223 0.053 0.000 2.012 167 L HA -0.222 4.095 4.340 -0.037 0.000 0.210 167 L C 2.686 179.575 176.870 0.030 0.000 1.073 167 L CA 1.469 56.333 54.840 0.040 0.000 0.748 167 L CB -1.336 40.744 42.059 0.036 0.000 0.891 167 L HN 0.407 nan 8.230 nan 0.000 0.431 168 A N 0.105 122.944 122.820 0.031 0.000 2.019 168 A HA -0.110 4.187 4.320 -0.037 0.000 0.219 168 A C 2.550 180.153 177.584 0.032 0.000 1.164 168 A CA 1.594 53.646 52.037 0.026 0.000 0.644 168 A CB -0.559 18.455 19.000 0.022 0.000 0.805 168 A HN 0.428 nan 8.150 nan 0.000 0.449 169 A N -0.272 122.572 122.820 0.041 0.000 1.933 169 A HA 0.130 4.427 4.320 -0.037 0.000 0.218 169 A C 2.417 180.003 177.584 0.002 0.000 1.175 169 A CA 1.868 53.924 52.037 0.031 0.000 0.628 169 A CB -1.456 17.553 19.000 0.016 0.000 0.814 169 A HN 0.757 nan 8.150 nan 0.000 0.444 170 G N -0.701 108.097 108.800 -0.003 0.000 2.631 170 G HA2 -0.394 3.544 3.960 -0.037 0.000 0.219 170 G HA3 -0.394 3.544 3.960 -0.037 0.000 0.219 170 G C 1.644 176.586 174.900 0.071 0.000 1.214 170 G CA 1.293 46.427 45.100 0.056 0.000 0.785 170 G HN 0.606 nan 8.290 nan 0.000 0.596 171 Q N -0.364 119.450 119.800 0.024 0.000 2.084 171 Q HA -0.094 4.223 4.340 -0.037 0.000 0.202 171 Q C 2.885 178.864 176.000 -0.035 0.000 0.978 171 Q CA 1.662 57.447 55.803 -0.029 0.000 0.844 171 Q CB -0.158 28.567 28.738 -0.022 0.000 0.898 171 Q HN 0.377 nan 8.270 nan 0.000 0.426 172 V N 0.409 120.328 119.914 0.008 0.000 2.295 172 V HA -0.252 3.846 4.120 -0.037 0.000 0.246 172 V C 2.004 178.081 176.094 -0.029 0.000 1.049 172 V CA 1.705 63.996 62.300 -0.015 0.000 1.024 172 V CB -0.708 31.115 31.823 0.000 0.000 0.648 172 V HN 0.304 nan 8.190 nan 0.000 0.447 173 F N 0.728 120.562 119.950 -0.194 0.000 2.075 173 F HA -0.162 4.343 4.527 -0.037 0.000 0.297 173 F C 2.461 178.157 175.800 -0.173 0.000 1.113 173 F CA 2.075 59.959 58.000 -0.193 0.000 1.218 173 F CB -0.714 38.216 39.000 -0.117 0.000 0.984 173 F HN 0.056 nan 8.300 nan 0.000 0.472 174 K N 0.347 120.700 120.400 -0.078 0.000 2.020 174 K HA -0.235 4.062 4.320 -0.037 0.000 0.212 174 K C 1.929 178.401 176.600 -0.214 0.000 1.050 174 K CA 2.227 58.282 56.287 -0.388 0.000 0.929 174 K CB -0.199 31.872 32.500 -0.715 0.000 0.714 174 K HN 0.327 nan 8.250 nan 0.000 0.443 175 E N -0.013 120.088 120.200 -0.165 0.000 2.030 175 E HA -0.123 4.205 4.350 -0.037 0.000 0.189 175 E C 2.185 178.711 176.600 -0.123 0.000 0.974 175 E CA 0.789 57.112 56.400 -0.128 0.000 0.807 175 E CB -0.017 29.620 29.700 -0.105 0.000 0.771 175 E HN 0.231 nan 8.360 nan 0.000 0.451 176 K N 0.788 121.100 120.400 -0.148 0.000 2.057 176 K HA -0.081 4.217 4.320 -0.037 0.000 0.206 176 K C 2.058 178.523 176.600 -0.226 0.000 1.050 176 K CA 0.938 57.117 56.287 -0.180 0.000 0.935 176 K CB 0.139 32.514 32.500 -0.209 0.000 0.715 176 K HN 0.068 nan 8.250 nan 0.000 0.439 177 L N -1.135 119.912 121.223 -0.293 0.000 2.316 177 L HA 0.233 4.551 4.340 -0.037 0.000 0.207 177 L C 0.910 177.748 176.870 -0.053 0.000 1.070 177 L CA 0.290 54.893 54.840 -0.395 0.000 0.820 177 L CB 0.488 41.944 42.059 -1.005 0.000 0.992 177 L HN 0.383 nan 8.230 nan 0.000 0.466 178 G N -0.378 108.455 108.800 0.055 0.000 2.339 178 G HA2 -0.156 3.781 3.960 -0.037 0.000 0.381 178 G HA3 -0.156 3.781 3.960 -0.037 0.000 0.381 178 G C -0.615 174.355 174.900 0.117 0.000 1.400 178 G CA -0.167 45.009 45.100 0.127 0.000 1.002 178 G HN -0.007 nan 8.290 nan 0.000 0.633 179 D N -0.265 120.152 120.400 0.029 0.000 2.263 179 D HA -0.120 4.498 4.640 -0.037 0.000 0.208 179 D C 2.472 178.853 176.300 0.136 0.000 0.971 179 D CA 1.945 55.925 54.000 -0.033 0.000 0.867 179 D CB 0.274 41.071 40.800 -0.005 0.000 0.929 179 D HN 0.509 nan 8.370 nan 0.000 0.492 180 Q N -0.577 119.332 119.800 0.180 0.000 2.482 180 Q HA -0.117 4.201 4.340 -0.037 0.000 0.209 180 Q C -0.448 175.724 176.000 0.287 0.000 0.961 180 Q CA 0.333 56.297 55.803 0.267 0.000 0.945 180 Q CB -0.290 28.516 28.738 0.113 0.000 1.012 180 Q HN 0.346 nan 8.270 nan 0.000 0.515 181 Y N 0.545 121.018 120.300 0.288 0.000 2.328 181 Y HA 0.408 4.936 4.550 -0.037 0.000 0.337 181 Y C -0.764 175.309 175.900 0.288 0.000 1.008 181 Y CA -0.822 57.508 58.100 0.383 0.000 1.129 181 Y CB 0.966 39.571 38.460 0.241 0.000 1.185 181 Y HN -0.069 nan 8.280 nan 0.000 0.476 182 Y N 4.136 124.803 120.300 0.611 0.000 2.425 182 Y HA 0.304 4.832 4.550 -0.037 0.000 0.344 182 Y C -1.755 174.042 175.900 -0.171 0.000 0.969 182 Y CA -2.485 55.730 58.100 0.192 0.000 1.052 182 Y CB 1.799 40.283 38.460 0.039 0.000 1.215 182 Y HN 0.431 nan 8.280 nan 0.000 0.451 183 P HA -0.191 nan 4.420 nan 0.000 0.216 183 P C -0.306 177.100 177.300 0.176 0.000 1.154 183 P CA 1.688 64.254 63.100 -0.891 0.000 0.865 183 P CB 0.210 31.613 31.700 -0.496 0.000 0.789 184 V N -6.446 113.626 119.914 0.263 0.000 3.188 184 V HA 0.642 4.740 4.120 -0.037 0.000 0.305 184 V C -0.979 175.254 176.094 0.232 0.000 1.232 184 V CA -1.268 61.270 62.300 0.398 0.000 1.043 184 V CB 2.229 34.316 31.823 0.441 0.000 1.068 184 V HN -0.234 nan 8.190 nan 0.000 0.439 185 V N 2.743 122.806 119.914 0.249 0.000 2.628 185 V HA 0.766 4.863 4.120 -0.037 0.000 0.306 185 V C -0.974 175.112 176.094 -0.013 0.000 1.045 185 V CA -0.609 61.674 62.300 -0.029 0.000 0.905 185 V CB 1.592 33.391 31.823 -0.039 0.000 0.997 185 V HN 0.870 nan 8.190 nan 0.000 0.436 186 L N 5.807 126.940 121.223 -0.149 0.000 2.409 186 L HA 0.616 4.934 4.340 -0.037 0.000 0.272 186 L C -0.082 176.646 176.870 -0.238 0.000 0.980 186 L CA -0.517 54.263 54.840 -0.100 0.000 0.826 186 L CB 2.057 44.118 42.059 0.004 0.000 1.268 186 L HN 0.598 nan 8.230 nan 0.000 0.407 187 E N 1.838 121.909 120.200 -0.214 0.000 2.349 187 E HA 0.081 4.409 4.350 -0.037 0.000 0.262 187 E C 0.609 177.161 176.600 -0.080 0.000 1.088 187 E CA -0.465 55.790 56.400 -0.241 0.000 0.899 187 E CB 0.964 30.552 29.700 -0.187 0.000 1.044 187 E HN 0.636 nan 8.360 nan 0.000 0.420 188 H N 1.971 121.052 119.070 0.018 0.000 2.426 188 H HA -0.199 4.335 4.556 -0.037 0.000 0.298 188 H C 1.599 177.093 175.328 0.277 0.000 1.107 188 H CA 1.541 57.699 56.048 0.182 0.000 1.298 188 H CB -0.021 29.833 29.762 0.153 0.000 1.377 188 H HN 0.493 nan 8.280 nan 0.000 0.519 189 Q N 1.715 121.365 119.800 -0.251 0.000 2.167 189 Q HA -0.123 4.194 4.340 -0.037 0.000 0.202 189 Q C 1.116 177.134 176.000 0.030 0.000 0.970 189 Q CA 1.407 57.173 55.803 -0.060 0.000 0.855 189 Q CB -0.214 28.480 28.738 -0.074 0.000 0.911 189 Q HN 0.494 nan 8.270 nan 0.000 0.438 190 D N 1.186 121.590 120.400 0.006 0.000 2.123 190 D HA -0.066 4.552 4.640 -0.037 0.000 0.200 190 D C 1.818 178.195 176.300 0.129 0.000 0.976 190 D CA 1.809 55.846 54.000 0.063 0.000 0.831 190 D CB -0.417 40.398 40.800 0.025 0.000 0.974 190 D HN 0.283 nan 8.370 nan 0.000 0.469 191 T N 2.084 116.708 114.554 0.115 0.000 2.684 191 T HA -0.171 4.157 4.350 -0.037 0.000 0.267 191 T C 1.964 176.698 174.700 0.057 0.000 1.036 191 T CA 0.732 62.923 62.100 0.151 0.000 1.148 191 T CB -0.477 68.592 68.868 0.334 0.000 0.863 191 T HN 0.019 nan 8.240 nan 0.000 0.436 192 L N 1.674 122.810 121.223 -0.145 0.000 1.978 192 L HA -0.168 4.150 4.340 -0.037 0.000 0.218 192 L C 2.611 179.555 176.870 0.123 0.000 1.075 192 L CA 2.369 56.909 54.840 -0.500 0.000 0.767 192 L CB -1.216 40.473 42.059 -0.617 0.000 0.890 192 L HN 0.262 nan 8.230 nan 0.000 0.434 193 A N -1.020 121.963 122.820 0.270 0.000 1.930 193 A HA -0.162 4.136 4.320 -0.037 0.000 0.217 193 A C 2.368 180.143 177.584 0.319 0.000 1.175 193 A CA 1.779 54.096 52.037 0.467 0.000 0.627 193 A CB -0.907 18.420 19.000 0.546 0.000 0.815 193 A HN 0.605 nan 8.150 nan 0.000 0.443 194 L N -0.774 120.501 121.223 0.088 0.000 2.072 194 L HA -0.063 4.255 4.340 -0.037 0.000 0.205 194 L C 2.232 179.031 176.870 -0.117 0.000 1.079 194 L CA 1.469 56.161 54.840 -0.247 0.000 0.752 194 L CB -0.192 41.507 42.059 -0.600 0.000 0.906 194 L HN 0.396 nan 8.230 nan 0.000 0.436 195 I N -0.478 119.967 120.570 -0.209 0.000 2.406 195 I HA -0.210 3.938 4.170 -0.037 0.000 0.249 195 I C 2.730 178.576 176.117 -0.451 0.000 1.122 195 I CA 0.677 61.648 61.300 -0.550 0.000 1.431 195 I CB -0.346 37.067 38.000 -0.978 0.000 1.087 195 I HN 0.296 nan 8.210 nan 0.000 0.424 196 R N 0.750 121.238 120.500 -0.019 0.000 2.091 196 R HA -0.219 4.099 4.340 -0.037 0.000 0.238 196 R C 2.438 178.829 176.300 0.152 0.000 1.136 196 R CA 2.048 58.321 56.100 0.289 0.000 0.959 196 R CB -0.330 30.217 30.300 0.413 0.000 0.856 196 R HN 0.215 nan 8.270 nan 0.000 0.437 197 S N -0.327 115.470 115.700 0.162 0.000 2.370 197 S HA -0.244 4.204 4.470 -0.037 0.000 0.226 197 S C 1.804 176.484 174.600 0.132 0.000 1.033 197 S CA 1.488 59.832 58.200 0.240 0.000 1.011 197 S CB -0.529 62.953 63.200 0.470 0.000 0.852 197 S HN 0.604 nan 8.310 nan 0.000 0.457 198 Y N 1.515 121.648 120.300 -0.279 0.000 2.128 198 Y HA -0.150 4.377 4.550 -0.037 0.000 0.284 198 Y C 2.236 177.914 175.900 -0.369 0.000 1.154 198 Y CA 2.157 59.826 58.100 -0.718 0.000 1.149 198 Y CB -0.314 37.338 38.460 -1.346 0.000 0.976 198 Y HN 0.232 nan 8.280 nan 0.000 0.505 199 M N -0.324 119.196 119.600 -0.132 0.000 2.149 199 M HA -0.201 4.256 4.480 -0.037 0.000 0.261 199 M C 1.992 178.296 176.300 0.007 0.000 1.064 199 M CA 2.088 57.360 55.300 -0.047 0.000 1.102 199 M CB -1.576 31.002 32.600 -0.036 0.000 1.369 199 M HN 0.279 nan 8.290 nan 0.000 0.408 200 T N 0.158 114.734 114.554 0.036 0.000 2.812 200 T HA -0.130 4.198 4.350 -0.037 0.000 0.264 200 T C 1.947 176.640 174.700 -0.012 0.000 1.042 200 T CA 1.068 63.207 62.100 0.065 0.000 1.140 200 T CB -0.156 68.770 68.868 0.098 0.000 0.870 200 T HN 0.437 nan 8.240 nan 0.000 0.445 201 Q N 0.682 120.442 119.800 -0.067 0.000 2.061 201 Q HA -0.137 4.181 4.340 -0.037 0.000 0.204 201 Q C 2.382 178.239 176.000 -0.239 0.000 0.984 201 Q CA 1.451 57.201 55.803 -0.089 0.000 0.846 201 Q CB -0.148 28.583 28.738 -0.012 0.000 0.902 201 Q HN 0.405 nan 8.270 nan 0.000 0.421 202 K N -0.597 119.511 120.400 -0.487 0.000 2.057 202 K HA -0.147 4.151 4.320 -0.037 0.000 0.206 202 K C 1.110 177.294 176.600 -0.693 0.000 1.050 202 K CA 1.288 57.152 56.287 -0.705 0.000 0.935 202 K CB 0.168 32.011 32.500 -1.096 0.000 0.715 202 K HN 0.169 nan 8.250 nan 0.000 0.439 203 Y N -0.783 119.432 120.300 -0.141 0.000 2.483 203 Y HA 0.257 4.785 4.550 -0.037 0.000 0.258 203 Y C -0.223 175.659 175.900 -0.030 0.000 1.083 203 Y CA -0.268 57.784 58.100 -0.080 0.000 1.283 203 Y CB 0.287 38.692 38.460 -0.092 0.000 1.178 203 Y HN 0.079 nan 8.280 nan 0.000 0.515 204 N N 0.526 119.287 118.700 0.102 0.000 2.756 204 N HA -0.206 4.511 4.740 -0.037 0.000 0.248 204 N C -1.410 174.163 175.510 0.104 0.000 1.062 204 N CA 0.349 53.447 53.050 0.080 0.000 0.696 204 N CB -1.130 37.385 38.487 0.048 0.000 0.946 204 N HN 0.143 nan 8.380 nan 0.000 0.548 205 I N -0.263 120.388 120.570 0.135 0.000 2.722 205 I HA 0.465 4.613 4.170 -0.037 0.000 0.295 205 I C -2.289 173.905 176.117 0.129 0.000 1.161 205 I CA -2.275 59.104 61.300 0.132 0.000 1.032 205 I CB 1.923 40.014 38.000 0.153 0.000 1.244 205 I HN -0.188 nan 8.210 nan 0.000 0.421 206 P HA 0.273 nan 4.420 nan 0.000 0.271 206 P C 0.217 177.515 177.300 -0.004 0.000 1.218 206 P CA -0.165 62.957 63.100 0.037 0.000 0.780 206 P CB 0.504 32.220 31.700 0.026 0.000 0.901 207 T N 0.964 115.470 114.554 -0.081 0.000 2.896 207 T HA 0.077 4.405 4.350 -0.037 0.000 0.263 207 T C 0.924 175.567 174.700 -0.095 0.000 1.050 207 T CA 0.967 62.920 62.100 -0.244 0.000 1.140 207 T CB -0.242 68.521 68.868 -0.175 0.000 0.877 207 T HN 0.299 nan 8.240 nan 0.000 0.457 208 I N 2.055 122.588 120.570 -0.061 0.000 2.354 208 I HA 0.272 4.419 4.170 -0.037 0.000 0.292 208 I C -0.620 175.458 176.117 -0.065 0.000 0.989 208 I CA -1.010 60.222 61.300 -0.112 0.000 1.188 208 I CB 1.524 39.431 38.000 -0.154 0.000 1.342 208 I HN -0.046 nan 8.210 nan 0.000 0.457 209 D N 6.331 126.694 120.400 -0.061 0.000 2.352 209 D HA 0.048 4.665 4.640 -0.037 0.000 0.245 209 D C 0.867 177.134 176.300 -0.054 0.000 1.224 209 D CA 0.233 54.213 54.000 -0.032 0.000 0.879 209 D CB 0.891 41.685 40.800 -0.009 0.000 1.057 209 D HN 0.469 nan 8.370 nan 0.000 0.491 210 E N 2.606 122.789 120.200 -0.028 0.000 2.107 210 E HA -0.128 4.199 4.350 -0.037 0.000 0.191 210 E C 1.762 178.343 176.600 -0.031 0.000 0.982 210 E CA 0.765 57.148 56.400 -0.029 0.000 0.809 210 E CB 0.089 29.803 29.700 0.023 0.000 0.756 210 E HN 0.657 nan 8.360 nan 0.000 0.459 211 A N 1.674 124.487 122.820 -0.012 0.000 1.908 211 A HA -0.215 4.083 4.320 -0.037 0.000 0.218 211 A C 1.615 179.183 177.584 -0.027 0.000 1.181 211 A CA 1.817 53.848 52.037 -0.010 0.000 0.627 211 A CB -0.506 18.495 19.000 0.001 0.000 0.818 211 A HN 0.210 nan 8.150 nan 0.000 0.445 212 N N -0.532 118.147 118.700 -0.035 0.000 2.230 212 N HA 0.085 4.803 4.740 -0.037 0.000 0.202 212 N C -0.781 174.689 175.510 -0.067 0.000 1.119 212 N CA -0.102 52.925 53.050 -0.038 0.000 0.851 212 N CB 0.305 38.782 38.487 -0.017 0.000 0.990 212 N HN 0.205 nan 8.380 nan 0.000 0.497 213 K N 1.291 121.629 120.400 -0.103 0.000 3.490 213 K HA -0.241 4.057 4.320 -0.037 0.000 0.273 213 K C -0.688 175.805 176.600 -0.179 0.000 0.916 213 K CA 0.951 57.133 56.287 -0.175 0.000 0.718 213 K CB -2.027 30.354 32.500 -0.198 0.000 1.477 213 K HN 0.535 nan 8.250 nan 0.000 0.452 214 K N -1.484 118.818 120.400 -0.163 0.000 2.578 214 K HA 0.467 4.765 4.320 -0.037 0.000 0.287 214 K C -0.747 175.769 176.600 -0.141 0.000 1.010 214 K CA -1.093 55.113 56.287 -0.135 0.000 0.889 214 K CB 0.730 33.219 32.500 -0.018 0.000 1.514 214 K HN -0.168 nan 8.250 nan 0.000 0.424 215 F N 0.737 120.724 119.950 0.061 0.000 2.518 215 F HA 0.226 4.731 4.527 -0.037 0.000 0.359 215 F C 1.439 177.272 175.800 0.055 0.000 1.118 215 F CA 0.718 58.782 58.000 0.106 0.000 1.287 215 F CB 1.289 40.507 39.000 0.363 0.000 1.132 215 F HN 0.839 nan 8.300 nan 0.000 0.587 216 A N 2.638 125.537 122.820 0.132 0.000 2.303 216 A HA 0.137 4.434 4.320 -0.037 0.000 0.217 216 A C -0.112 177.520 177.584 0.080 0.000 1.205 216 A CA -0.027 52.046 52.037 0.060 0.000 0.875 216 A CB -0.507 18.500 19.000 0.011 0.000 0.910 216 A HN 0.506 nan 8.150 nan 0.000 0.501 217 Y N 1.763 122.026 120.300 -0.061 0.000 2.497 217 Y HA 0.275 4.803 4.550 -0.037 0.000 0.334 217 Y C 1.482 177.304 175.900 -0.130 0.000 1.199 217 Y CA -0.740 57.155 58.100 -0.341 0.000 1.425 217 Y CB 0.171 38.005 38.460 -1.043 0.000 1.291 217 Y HN 0.296 nan 8.280 nan 0.000 0.562 218 S N 3.252 118.973 115.700 0.036 0.000 2.580 218 S HA 0.115 4.562 4.470 -0.037 0.000 0.266 218 S C -1.792 172.900 174.600 0.154 0.000 1.354 218 S CA -0.968 57.275 58.200 0.071 0.000 1.008 218 S CB 0.919 64.118 63.200 -0.001 0.000 0.898 218 S HN 0.435 nan 8.310 nan 0.000 0.555 219 P HA -0.115 nan 4.420 nan 0.000 0.216 219 P C 1.057 178.493 177.300 0.227 0.000 1.154 219 P CA 1.483 64.733 63.100 0.251 0.000 0.865 219 P CB -0.007 31.793 31.700 0.168 0.000 0.789 220 E N -0.954 119.321 120.200 0.125 0.000 2.107 220 E HA -0.147 4.181 4.350 -0.037 0.000 0.191 220 E C 2.147 178.791 176.600 0.074 0.000 0.982 220 E CA 0.976 57.435 56.400 0.099 0.000 0.809 220 E CB -0.628 29.102 29.700 0.050 0.000 0.756 220 E HN 0.357 nan 8.360 nan 0.000 0.459 221 Q N -0.864 118.909 119.800 -0.046 0.000 2.084 221 Q HA -0.139 4.179 4.340 -0.037 0.000 0.202 221 Q C 1.756 177.713 176.000 -0.072 0.000 0.978 221 Q CA 1.291 56.954 55.803 -0.233 0.000 0.844 221 Q CB -0.248 28.139 28.738 -0.585 0.000 0.898 221 Q HN 0.420 nan 8.270 nan 0.000 0.426 222 W N -0.285 121.113 121.300 0.164 0.000 2.342 222 W HA -0.213 4.424 4.660 -0.037 0.000 0.297 222 W C 2.072 178.825 176.519 0.390 0.000 1.213 222 W CA 0.447 57.969 57.345 0.295 0.000 1.251 222 W CB -0.077 29.562 29.460 0.297 0.000 1.136 222 W HN -0.024 nan 8.180 nan 0.000 0.526 223 V N 0.155 120.362 119.914 0.488 0.000 2.358 223 V HA -0.310 3.788 4.120 -0.037 0.000 0.246 223 V C 2.051 178.337 176.094 0.321 0.000 1.047 223 V CA 2.288 64.815 62.300 0.378 0.000 1.035 223 V CB -0.860 31.104 31.823 0.235 0.000 0.658 223 V HN 0.253 nan 8.190 nan 0.000 0.452 224 E N -0.306 120.029 120.200 0.226 0.000 2.106 224 E HA -0.254 4.074 4.350 -0.037 0.000 0.192 224 E C 2.113 178.789 176.600 0.126 0.000 0.984 224 E CA 1.340 57.824 56.400 0.139 0.000 0.806 224 E CB -0.240 29.517 29.700 0.095 0.000 0.750 224 E HN 0.567 nan 8.360 nan 0.000 0.458 225 F N 0.012 119.982 119.950 0.034 0.000 2.046 225 F HA -0.227 4.278 4.527 -0.037 0.000 0.297 225 F C 1.710 177.468 175.800 -0.070 0.000 1.123 225 F CA 1.737 59.703 58.000 -0.057 0.000 1.199 225 F CB -0.176 38.816 39.000 -0.013 0.000 0.972 225 F HN 0.043 nan 8.300 nan 0.000 0.474 226 F N -0.447 119.809 119.950 0.509 0.000 2.456 226 F HA -0.083 4.422 4.527 -0.037 0.000 0.298 226 F C 2.417 178.379 175.800 0.269 0.000 1.104 226 F CA 1.308 59.546 58.000 0.396 0.000 1.435 226 F CB -1.032 38.149 39.000 0.302 0.000 1.078 226 F HN -0.143 nan 8.300 nan 0.000 0.546 227 T N 0.108 114.852 114.554 0.316 0.000 2.857 227 T HA -0.199 4.128 4.350 -0.037 0.000 0.266 227 T C 2.113 176.853 174.700 0.067 0.000 1.048 227 T CA 1.143 63.348 62.100 0.174 0.000 1.139 227 T CB -0.262 68.680 68.868 0.123 0.000 0.874 227 T HN 0.251 nan 8.240 nan 0.000 0.455 228 M N 0.168 119.757 119.600 -0.019 0.000 2.108 228 M HA -0.181 4.277 4.480 -0.037 0.000 0.261 228 M C 2.120 178.371 176.300 -0.081 0.000 1.066 228 M CA 1.747 56.949 55.300 -0.163 0.000 1.107 228 M CB -0.282 32.070 32.600 -0.413 0.000 1.356 228 M HN 0.338 nan 8.290 nan 0.000 0.406 229 Y N 0.871 121.125 120.300 -0.077 0.000 2.145 229 Y HA -0.294 4.234 4.550 -0.037 0.000 0.286 229 Y C 2.352 178.274 175.900 0.035 0.000 1.145 229 Y CA 2.453 60.555 58.100 0.003 0.000 1.148 229 Y CB -0.442 38.079 38.460 0.103 0.000 0.981 229 Y HN 0.253 nan 8.280 nan 0.000 0.507 230 K N -0.707 119.671 120.400 -0.036 0.000 2.063 230 K HA -0.171 4.127 4.320 -0.037 0.000 0.208 230 K C 1.928 178.450 176.600 -0.130 0.000 1.048 230 K CA 2.013 58.234 56.287 -0.110 0.000 0.928 230 K CB -0.324 32.211 32.500 0.059 0.000 0.713 230 K HN 0.355 nan 8.250 nan 0.000 0.442 231 T N 1.478 115.981 114.554 -0.085 0.000 2.684 231 T HA -0.193 4.135 4.350 -0.037 0.000 0.267 231 T C 1.833 176.473 174.700 -0.100 0.000 1.036 231 T CA 1.904 63.956 62.100 -0.080 0.000 1.148 231 T CB -0.151 68.671 68.868 -0.076 0.000 0.863 231 T HN 0.260 nan 8.240 nan 0.000 0.436 232 M N 0.368 119.883 119.600 -0.141 0.000 2.080 232 M HA -0.113 4.345 4.480 -0.037 0.000 0.260 232 M C 2.495 178.713 176.300 -0.137 0.000 1.068 232 M CA 1.437 56.664 55.300 -0.120 0.000 1.109 232 M CB -0.642 31.886 32.600 -0.119 0.000 1.342 232 M HN 0.100 nan 8.290 nan 0.000 0.405 233 V N 0.411 120.164 119.914 -0.269 0.000 2.270 233 V HA -0.265 3.833 4.120 -0.037 0.000 0.245 233 V C 1.699 177.736 176.094 -0.094 0.000 1.043 233 V CA 1.977 64.139 62.300 -0.230 0.000 1.014 233 V CB -0.757 30.825 31.823 -0.402 0.000 0.645 233 V HN 0.391 nan 8.190 nan 0.000 0.447 234 D N 0.496 120.844 120.400 -0.087 0.000 2.190 234 D HA -0.145 4.472 4.640 -0.037 0.000 0.200 234 D C 1.495 177.802 176.300 0.011 0.000 0.992 234 D CA 1.278 55.262 54.000 -0.026 0.000 0.854 234 D CB -0.411 40.373 40.800 -0.027 0.000 0.936 234 D HN 0.410 nan 8.370 nan 0.000 0.462 235 N N -0.744 117.960 118.700 0.007 0.000 2.276 235 N HA 0.032 4.750 4.740 -0.037 0.000 0.212 235 N C -0.305 175.271 175.510 0.110 0.000 1.127 235 N CA 0.008 53.081 53.050 0.037 0.000 0.834 235 N CB -0.083 38.411 38.487 0.012 0.000 1.014 235 N HN 0.162 nan 8.380 nan 0.000 0.491 236 H N -2.102 116.960 119.070 -0.014 0.000 2.899 236 H HA -0.160 4.374 4.556 -0.037 0.000 0.282 236 H C 0.746 176.117 175.328 0.072 0.000 1.198 236 H CA 0.560 56.608 56.048 0.001 0.000 1.140 236 H CB -1.330 28.351 29.762 -0.135 0.000 1.317 236 H HN 0.023 nan 8.280 nan 0.000 0.375 237 V N -0.520 119.443 119.914 0.081 0.000 2.488 237 V HA -0.069 4.029 4.120 -0.037 0.000 0.246 237 V C 1.435 177.594 176.094 0.108 0.000 1.046 237 V CA 1.916 64.257 62.300 0.068 0.000 1.053 237 V CB -0.191 31.658 31.823 0.043 0.000 0.679 237 V HN 0.553 nan 8.190 nan 0.000 0.458 238 M N -1.822 117.815 119.600 0.062 0.000 2.622 238 M HA 0.603 5.061 4.480 -0.037 0.000 0.276 238 M C -3.386 172.673 176.300 -0.402 0.000 1.265 238 M CA -2.361 52.875 55.300 -0.108 0.000 0.850 238 M CB 1.007 33.549 32.600 -0.096 0.000 1.720 238 M HN -0.215 nan 8.290 nan 0.000 0.465 239 P HA 0.078 nan 4.420 nan 0.000 0.264 239 P C -0.101 177.068 177.300 -0.217 0.000 1.183 239 P CA 0.419 63.102 63.100 -0.694 0.000 0.763 239 P CB 0.367 31.653 31.700 -0.690 0.000 0.807 240 S N 1.227 116.898 115.700 -0.049 0.000 2.596 240 S HA 0.055 4.503 4.470 -0.037 0.000 0.260 240 S C 1.587 176.269 174.600 0.136 0.000 1.336 240 S CA 0.460 58.689 58.200 0.049 0.000 0.993 240 S CB -0.101 63.123 63.200 0.039 0.000 0.923 240 S HN 0.593 nan 8.310 nan 0.000 0.567 241 T N -1.047 113.618 114.554 0.185 0.000 2.788 241 T HA -0.150 4.178 4.350 -0.037 0.000 0.268 241 T C 1.609 176.463 174.700 0.257 0.000 1.044 241 T CA 1.389 63.628 62.100 0.232 0.000 1.139 241 T CB -0.516 68.498 68.868 0.243 0.000 0.867 241 T HN 0.720 nan 8.240 nan 0.000 0.454 242 K N -0.153 120.287 120.400 0.067 0.000 1.985 242 K HA -0.174 4.124 4.320 -0.037 0.000 0.210 242 K C 2.238 178.913 176.600 0.125 0.000 1.047 242 K CA 1.430 57.667 56.287 -0.084 0.000 0.932 242 K CB -0.498 31.690 32.500 -0.519 0.000 0.716 242 K HN 0.379 nan 8.250 nan 0.000 0.439 243 Y N 0.246 120.584 120.300 0.063 0.000 2.151 243 Y HA -0.319 4.208 4.550 -0.037 0.000 0.284 243 Y C 2.132 178.249 175.900 0.361 0.000 1.166 243 Y CA 2.020 60.224 58.100 0.173 0.000 1.163 243 Y CB -0.494 38.053 38.460 0.145 0.000 0.974 243 Y HN 0.244 nan 8.280 nan 0.000 0.511 244 Y N -0.043 120.343 120.300 0.143 0.000 2.145 244 Y HA -0.201 4.326 4.550 -0.037 0.000 0.286 244 Y C 2.484 178.533 175.900 0.247 0.000 1.145 244 Y CA 1.659 59.839 58.100 0.134 0.000 1.148 244 Y CB -0.848 37.615 38.460 0.004 0.000 0.981 244 Y HN 0.133 nan 8.280 nan 0.000 0.507 245 A N -0.639 122.338 122.820 0.262 0.000 2.070 245 A HA -0.184 4.114 4.320 -0.037 0.000 0.220 245 A C 2.334 179.952 177.584 0.056 0.000 1.159 245 A CA 1.828 53.962 52.037 0.161 0.000 0.656 245 A CB -1.189 17.951 19.000 0.233 0.000 0.800 245 A HN 0.578 nan 8.150 nan 0.000 0.453 246 S N -1.435 114.258 115.700 -0.012 0.000 2.515 246 S HA 0.018 4.466 4.470 -0.037 0.000 0.231 246 S C 1.305 175.690 174.600 -0.359 0.000 0.987 246 S CA 0.843 58.920 58.200 -0.204 0.000 0.936 246 S CB -0.661 62.344 63.200 -0.325 0.000 0.766 246 S HN 0.452 nan 8.310 nan 0.000 0.528 247 F N 1.727 121.583 119.950 -0.158 0.000 2.714 247 F HA 0.414 4.919 4.527 -0.037 0.000 0.294 247 F C 1.715 177.433 175.800 -0.137 0.000 1.120 247 F CA -0.067 57.841 58.000 -0.154 0.000 1.398 247 F CB 0.141 39.030 39.000 -0.185 0.000 1.120 247 F HN 0.366 nan 8.300 nan 0.000 0.589 248 G N 0.536 109.360 108.800 0.040 0.000 4.373 248 G HA2 0.399 4.336 3.960 -0.037 0.000 0.337 248 G HA3 0.399 4.336 3.960 -0.037 0.000 0.337 248 G C 0.422 175.311 174.900 -0.019 0.000 1.442 248 G CA -0.377 44.706 45.100 -0.028 0.000 1.150 248 G HN 0.157 nan 8.290 nan 0.000 0.517 249 K N 0.145 120.538 120.400 -0.012 0.000 2.745 249 K HA 0.554 4.852 4.320 -0.037 0.000 0.223 249 K C 0.794 177.380 176.600 -0.023 0.000 1.057 249 K CA 0.304 56.587 56.287 -0.008 0.000 1.217 249 K CB -0.544 31.953 32.500 -0.006 0.000 0.993 249 K HN 0.908 nan 8.250 nan 0.000 0.478 250 S N -1.225 114.450 115.700 -0.041 0.000 2.671 250 S HA 0.480 4.928 4.470 -0.037 0.000 0.277 250 S C -0.936 173.595 174.600 -0.114 0.000 1.165 250 S CA -1.108 57.043 58.200 -0.083 0.000 0.822 250 S CB 0.549 63.679 63.200 -0.116 0.000 1.150 250 S HN 0.288 nan 8.310 nan 0.000 0.479 251 N N 0.902 119.462 118.700 -0.234 0.000 2.407 251 N HA 0.032 4.750 4.740 -0.037 0.000 0.250 251 N C 0.950 176.162 175.510 -0.497 0.000 1.236 251 N CA -0.015 52.767 53.050 -0.447 0.000 0.879 251 N CB 0.260 38.214 38.487 -0.890 0.000 1.088 251 N HN 0.682 nan 8.380 nan 0.000 0.450 252 M N 2.343 121.717 119.600 -0.376 0.000 2.132 252 M HA -0.185 4.272 4.480 -0.037 0.000 0.263 252 M C 1.267 177.383 176.300 -0.307 0.000 1.065 252 M CA 1.633 56.860 55.300 -0.122 0.000 1.122 252 M CB -0.163 32.484 32.600 0.078 0.000 1.365 252 M HN 0.686 nan 8.290 nan 0.000 0.411 253 Y N -0.762 119.224 120.300 -0.523 0.000 2.639 253 Y HA 0.030 4.557 4.550 -0.038 0.000 0.297 253 Y C 1.198 177.043 175.900 -0.092 0.000 1.151 253 Y CA 0.530 58.228 58.100 -0.671 0.000 1.335 253 Y CB -1.106 36.805 38.460 -0.916 0.000 0.994 253 Y HN 0.327 nan 8.280 nan 0.000 0.548 254 E N 0.401 120.385 120.200 -0.361 0.000 2.481 254 E HA 0.181 4.509 4.350 -0.037 0.000 0.198 254 E C 0.033 176.578 176.600 -0.092 0.000 1.027 254 E CA -0.199 56.108 56.400 -0.155 0.000 0.900 254 E CB 0.196 29.737 29.700 -0.265 0.000 0.993 254 E HN 0.466 nan 8.360 nan 0.000 0.482 255 M N 0.991 120.534 119.600 -0.094 0.000 2.233 255 M HA 0.103 4.560 4.480 -0.037 0.000 0.350 255 M C 0.894 177.099 176.300 -0.158 0.000 1.176 255 M CA -0.075 55.134 55.300 -0.152 0.000 1.150 255 M CB 0.864 33.330 32.600 -0.224 0.000 1.530 255 M HN -0.212 nan 8.290 nan 0.000 0.459 256 K N 1.862 122.128 120.400 -0.222 0.000 2.044 256 K HA -0.143 4.155 4.320 -0.037 0.000 0.210 256 K C -1.010 175.385 176.600 -0.340 0.000 1.049 256 K CA 1.667 57.833 56.287 -0.202 0.000 0.927 256 K CB -1.497 30.926 32.500 -0.129 0.000 0.713 256 K HN 0.474 nan 8.250 nan 0.000 0.443 257 P HA -0.174 nan 4.420 nan 0.000 0.222 257 P C 0.606 177.592 177.300 -0.523 0.000 1.147 257 P CA 0.820 63.368 63.100 -0.921 0.000 0.790 257 P CB -0.022 30.346 31.700 -2.222 0.000 0.780 258 W N 0.900 121.928 121.300 -0.452 0.000 2.408 258 W HA 0.122 4.760 4.660 -0.036 0.000 0.311 258 W C 0.565 177.088 176.519 0.006 0.000 1.190 258 W CA 1.910 59.234 57.345 -0.034 0.000 1.321 258 W CB 0.216 29.737 29.460 0.102 0.000 1.143 258 W HN -0.258 nan 8.180 nan 0.000 0.501 259 I N -1.282 119.293 120.570 0.010 0.000 0.000 259 I HA 0.171 4.319 4.170 -0.037 0.000 0.000 259 I C 0.111 176.167 176.117 -0.102 0.000 0.000 259 I CA -0.300 nan 61.300 nan 0.000 0.000 259 I CB 0.297 38.332 38.000 0.058 0.000 0.000 259 I HN -0.081 nan 8.210 nan 0.000 0.000 260 N N 1.241 119.871 118.700 -0.117 0.000 2.336 260 N HA 0.367 5.085 4.740 -0.037 0.000 0.189 260 N C 1.319 176.800 175.510 -0.048 0.000 1.113 260 N CA 1.373 54.376 53.050 -0.078 0.000 0.858 260 N CB 1.129 39.566 38.487 -0.084 0.000 0.970 260 N HN 2.162 nan 8.380 nan 0.000 0.471 261 G N 1.223 109.965 108.800 -0.096 0.000 2.147 261 G HA2 -0.302 3.636 3.960 -0.037 0.000 0.244 261 G HA3 -0.302 3.636 3.960 -0.037 0.000 0.244 261 G C 0.767 175.780 174.900 0.188 0.000 1.005 261 G CA 0.464 45.566 45.100 0.004 0.000 0.713 261 G HN 0.419 nan 8.290 nan 0.000 0.515 262 E N -1.513 118.724 120.200 0.062 0.000 2.170 262 E HA 0.032 4.360 4.350 -0.037 0.000 0.191 262 E C 0.417 177.345 176.600 0.547 0.000 0.981 262 E CA 0.485 56.932 56.400 0.079 0.000 0.830 262 E CB 0.150 29.675 29.700 -0.292 0.000 0.775 262 E HN 0.556 nan 8.360 nan 0.000 0.470 263 W N 0.766 122.235 121.300 0.282 0.000 2.316 263 W HA 0.427 5.065 4.660 -0.037 0.000 0.339 263 W C 0.163 176.900 176.519 0.364 0.000 1.002 263 W CA -1.499 56.077 57.345 0.385 0.000 1.465 263 W CB -0.075 29.630 29.460 0.409 0.000 1.300 263 W HN -0.027 nan 8.180 nan 0.000 0.378 264 A N 2.367 125.565 122.820 0.630 0.000 2.359 264 A HA 0.582 4.880 4.320 -0.037 0.000 0.240 264 A C 0.999 179.057 177.584 0.790 0.000 1.306 264 A CA 0.673 53.079 52.037 0.614 0.000 0.898 264 A CB -0.445 18.991 19.000 0.725 0.000 0.956 264 A HN 0.641 nan 8.150 nan 0.000 0.497 265 G N -2.207 107.033 108.800 0.734 0.000 2.317 265 G HA2 0.463 4.401 3.960 -0.037 0.000 0.293 265 G HA3 0.463 4.401 3.960 -0.037 0.000 0.293 265 G C -0.975 174.337 174.900 0.687 0.000 1.287 265 G CA 0.262 45.788 45.100 0.711 0.000 0.850 265 G HN 0.637 nan 8.290 nan 0.000 0.515 266 T N -1.185 113.603 114.554 0.391 0.000 3.012 266 T HA 0.514 4.841 4.350 -0.037 0.000 0.330 266 T C -2.194 172.487 174.700 -0.030 0.000 1.321 266 T CA -0.363 61.850 62.100 0.189 0.000 1.067 266 T CB 1.397 70.313 68.868 0.080 0.000 1.235 266 T HN 1.096 nan 8.240 nan 0.000 0.479 267 Y N 5.903 125.991 120.300 -0.352 0.000 2.504 267 Y HA 0.730 5.258 4.550 -0.037 0.000 0.339 267 Y C -0.505 175.064 175.900 -0.552 0.000 0.974 267 Y CA -0.770 56.908 58.100 -0.703 0.000 1.232 267 Y CB 0.784 38.730 38.460 -0.857 0.000 1.108 267 Y HN 0.719 nan 8.280 nan 0.000 0.509 268 M N 4.968 124.103 119.600 -0.774 0.000 2.622 268 M HA 0.434 4.892 4.480 -0.037 0.000 0.276 268 M C -2.035 173.838 176.300 -0.712 0.000 1.265 268 M CA -1.070 53.791 55.300 -0.731 0.000 0.850 268 M CB 1.421 33.636 32.600 -0.641 0.000 1.720 268 M HN 0.478 nan 8.290 nan 0.000 0.465 269 W N 3.799 124.856 121.300 -0.406 0.000 2.251 269 W HA 0.177 4.816 4.660 -0.035 0.000 0.327 269 W C 1.772 178.137 176.519 -0.257 0.000 1.361 269 W CA 0.122 57.267 57.345 -0.333 0.000 1.234 269 W CB 0.098 29.385 29.460 -0.288 0.000 1.212 269 W HN 0.776 nan 8.180 nan 0.000 0.557 270 N N 0.697 119.434 118.700 0.061 0.000 2.137 270 N HA -0.247 4.471 4.740 -0.037 0.000 0.190 270 N C 1.344 176.850 175.510 -0.007 0.000 1.017 270 N CA 1.982 55.075 53.050 0.072 0.000 0.859 270 N CB -0.782 37.758 38.487 0.087 0.000 1.002 270 N HN 0.447 nan 8.380 nan 0.000 0.428 271 S N -1.028 114.677 115.700 0.009 0.000 2.631 271 S HA 0.054 4.502 4.470 -0.037 0.000 0.217 271 S C 1.189 175.759 174.600 -0.051 0.000 0.958 271 S CA 0.488 58.667 58.200 -0.036 0.000 0.920 271 S CB -0.308 62.854 63.200 -0.065 0.000 0.776 271 S HN 0.582 nan 8.310 nan 0.000 0.517 272 T N -2.588 111.935 114.554 -0.052 0.000 3.111 272 T HA 0.372 4.699 4.350 -0.037 0.000 0.284 272 T C 0.970 175.628 174.700 -0.071 0.000 0.983 272 T CA -0.293 61.788 62.100 -0.032 0.000 0.900 272 T CB -0.343 68.565 68.868 0.067 0.000 1.132 272 T HN 0.174 nan 8.240 nan 0.000 0.531 273 I N 3.025 123.461 120.570 -0.224 0.000 2.614 273 I HA -0.016 4.132 4.170 -0.037 0.000 0.258 273 I C 2.194 178.222 176.117 -0.148 0.000 1.189 273 I CA 1.119 62.189 61.300 -0.383 0.000 1.462 273 I CB -0.413 37.103 38.000 -0.806 0.000 1.092 273 I HN 0.280 nan 8.210 nan 0.000 0.442 274 T N -0.296 114.199 114.554 -0.098 0.000 2.777 274 T HA -0.195 4.133 4.350 -0.037 0.000 0.266 274 T C 2.005 176.682 174.700 -0.039 0.000 1.040 274 T CA 1.138 63.203 62.100 -0.058 0.000 1.141 274 T CB -0.193 68.643 68.868 -0.053 0.000 0.868 274 T HN 0.275 nan 8.240 nan 0.000 0.444 275 K N -0.048 120.294 120.400 -0.096 0.000 2.113 275 K HA -0.140 4.157 4.320 -0.037 0.000 0.208 275 K C 1.988 178.390 176.600 -0.331 0.000 1.047 275 K CA 1.467 57.582 56.287 -0.287 0.000 0.928 275 K CB -0.204 31.953 32.500 -0.571 0.000 0.716 275 K HN 0.492 nan 8.250 nan 0.000 0.446 276 Y N -0.585 119.537 120.300 -0.296 0.000 2.176 276 Y HA -0.165 4.363 4.550 -0.037 0.000 0.291 276 Y C 2.905 179.006 175.900 0.334 0.000 1.122 276 Y CA 1.173 59.254 58.100 -0.031 0.000 1.128 276 Y CB -0.415 37.981 38.460 -0.105 0.000 1.005 276 Y HN 0.051 nan 8.280 nan 0.000 0.509 277 S N 0.036 115.938 115.700 0.337 0.000 2.359 277 S HA -0.216 4.232 4.470 -0.037 0.000 0.224 277 S C 1.616 176.325 174.600 0.181 0.000 1.035 277 S CA 1.894 60.238 58.200 0.239 0.000 1.018 277 S CB -0.490 62.769 63.200 0.099 0.000 0.876 277 S HN 0.406 nan 8.310 nan 0.000 0.448 278 D N 0.886 121.358 120.400 0.121 0.000 2.218 278 D HA -0.026 4.592 4.640 -0.037 0.000 0.204 278 D C 1.447 177.818 176.300 0.118 0.000 0.976 278 D CA 0.720 54.772 54.000 0.087 0.000 0.853 278 D CB -0.581 40.242 40.800 0.038 0.000 0.939 278 D HN 0.347 nan 8.370 nan 0.000 0.481 279 N N -0.222 118.595 118.700 0.195 0.000 2.449 279 N HA 0.072 4.790 4.740 -0.037 0.000 0.191 279 N C 0.128 175.762 175.510 0.207 0.000 1.161 279 N CA 0.001 53.191 53.050 0.233 0.000 0.863 279 N CB 0.167 38.854 38.487 0.333 0.000 0.980 279 N HN 0.138 nan 8.380 nan 0.000 0.458 280 L N -0.292 121.019 121.223 0.146 0.000 2.466 280 L HA 0.197 4.514 4.340 -0.037 0.000 0.257 280 L C 0.430 177.313 176.870 0.023 0.000 1.189 280 L CA -0.208 54.642 54.840 0.015 0.000 0.813 280 L CB 0.586 42.635 42.059 -0.017 0.000 1.118 280 L HN -0.024 nan 8.230 nan 0.000 0.471 281 T N 2.325 116.874 114.554 -0.007 0.000 2.782 281 T HA 0.140 4.468 4.350 -0.037 0.000 0.298 281 T C 0.131 174.843 174.700 0.021 0.000 0.944 281 T CA -0.687 61.419 62.100 0.011 0.000 1.001 281 T CB 0.066 68.936 68.868 0.003 0.000 0.932 281 T HN 0.239 nan 8.240 nan 0.000 0.524 282 K N 4.445 124.862 120.400 0.029 0.000 2.414 282 K HA 0.091 4.388 4.320 -0.037 0.000 0.272 282 K C -1.152 175.466 176.600 0.030 0.000 0.993 282 K CA -1.672 54.635 56.287 0.033 0.000 0.964 282 K CB 0.548 33.068 32.500 0.033 0.000 0.925 282 K HN 0.342 nan 8.250 nan 0.000 0.487 283 P HA 0.033 nan 4.420 nan 0.000 0.249 283 P C -0.114 177.216 177.300 0.050 0.000 1.229 283 P CA 0.069 63.192 63.100 0.039 0.000 0.788 283 P CB 0.305 32.027 31.700 0.036 0.000 1.072 284 A N 1.813 124.663 122.820 0.050 0.000 2.587 284 A HA 0.223 4.520 4.320 -0.037 0.000 0.233 284 A C 0.623 178.246 177.584 0.064 0.000 1.049 284 A CA 0.574 52.648 52.037 0.061 0.000 0.754 284 A CB -0.401 18.625 19.000 0.043 0.000 0.977 284 A HN 0.441 nan 8.150 nan 0.000 0.509 285 K N 1.409 121.861 120.400 0.087 0.000 2.578 285 K HA 0.613 4.911 4.320 -0.037 0.000 0.287 285 K C -1.467 175.211 176.600 0.130 0.000 1.010 285 K CA -1.031 55.314 56.287 0.096 0.000 0.889 285 K CB 0.851 33.405 32.500 0.091 0.000 1.514 285 K HN 0.415 nan 8.250 nan 0.000 0.424 286 L N 2.605 123.913 121.223 0.142 0.000 2.360 286 L HA 0.271 4.589 4.340 -0.037 0.000 0.276 286 L C 0.035 177.013 176.870 0.181 0.000 1.121 286 L CA -0.828 54.120 54.840 0.180 0.000 0.845 286 L CB 1.109 43.266 42.059 0.163 0.000 1.143 286 L HN 0.531 nan 8.230 nan 0.000 0.452 287 V N 2.820 122.829 119.914 0.158 0.000 2.581 287 V HA 0.414 4.512 4.120 -0.037 0.000 0.303 287 V C -0.220 175.884 176.094 0.016 0.000 1.041 287 V CA -1.200 61.158 62.300 0.097 0.000 0.907 287 V CB 1.896 33.754 31.823 0.059 0.000 0.994 287 V HN 0.588 nan 8.190 nan 0.000 0.442 288 L N 5.265 126.475 121.223 -0.022 0.000 2.534 288 L HA 0.609 4.927 4.340 -0.037 0.000 0.271 288 L C 0.800 177.490 176.870 -0.300 0.000 1.178 288 L CA 1.314 55.958 54.840 -0.327 0.000 0.907 288 L CB 0.055 41.969 42.059 -0.241 0.000 1.164 288 L HN 1.078 nan 8.230 nan 0.000 0.482 289 G N 4.918 113.486 108.800 -0.387 0.000 2.522 289 G HA2 0.576 4.514 3.960 -0.037 0.000 0.304 289 G HA3 0.576 4.514 3.960 -0.037 0.000 0.304 289 G C -2.694 172.163 174.900 -0.072 0.000 1.210 289 G CA -1.236 43.764 45.100 -0.167 0.000 0.960 289 G HN 0.617 nan 8.290 nan 0.000 0.497 290 P HA 0.121 nan 4.420 nan 0.000 0.272 290 P C -1.160 176.138 177.300 -0.003 0.000 1.230 290 P CA -0.249 62.850 63.100 -0.000 0.000 0.788 290 P CB 0.421 32.105 31.700 -0.028 0.000 0.949 291 Y N 2.774 123.044 120.300 -0.050 0.000 2.350 291 Y HA 0.273 4.801 4.550 -0.037 0.000 0.340 291 Y C -1.844 173.955 175.900 -0.170 0.000 1.006 291 Y CA -2.095 55.986 58.100 -0.033 0.000 1.166 291 Y CB 0.405 38.868 38.460 0.005 0.000 1.168 291 Y HN 0.294 nan 8.280 nan 0.000 0.502 292 P HA 0.106 nan 4.420 nan 0.000 0.271 292 P C -0.907 176.090 177.300 -0.504 0.000 1.216 292 P CA 0.169 62.812 63.100 -0.761 0.000 0.771 292 P CB 0.741 31.549 31.700 -1.487 0.000 0.864 293 M N 2.596 122.039 119.600 -0.262 0.000 2.457 293 M HA 0.349 4.807 4.480 -0.037 0.000 0.300 293 M C -0.057 176.346 176.300 0.171 0.000 1.141 293 M CA -0.988 54.357 55.300 0.075 0.000 0.901 293 M CB 1.744 34.403 32.600 0.098 0.000 1.687 293 M HN 0.212 nan 8.290 nan 0.000 0.449 294 L N 3.979 125.417 121.223 0.357 0.000 2.499 294 L HA 0.141 4.459 4.340 -0.037 0.000 0.273 294 L C -1.802 175.125 176.870 0.095 0.000 1.195 294 L CA -1.459 53.509 54.840 0.214 0.000 0.882 294 L CB -0.111 41.981 42.059 0.055 0.000 1.133 294 L HN 0.308 nan 8.230 nan 0.000 0.483 295 P HA -0.033 nan 4.420 nan 0.000 0.260 295 P C 0.795 178.105 177.300 0.017 0.000 1.172 295 P CA 0.975 64.096 63.100 0.035 0.000 0.760 295 P CB 0.603 32.320 31.700 0.029 0.000 0.773 296 G N 2.432 111.242 108.800 0.016 0.000 2.212 296 G HA2 -0.267 3.671 3.960 -0.037 0.000 0.266 296 G HA3 -0.267 3.671 3.960 -0.037 0.000 0.266 296 G C 0.533 175.435 174.900 0.004 0.000 0.978 296 G CA 0.026 45.130 45.100 0.006 0.000 0.632 296 G HN 0.871 nan 8.290 nan 0.000 0.537 297 A N 0.254 123.081 122.820 0.012 0.000 2.587 297 A HA 0.474 4.772 4.320 -0.037 0.000 0.235 297 A C 1.304 178.903 177.584 0.024 0.000 1.044 297 A CA 1.560 53.605 52.037 0.014 0.000 0.754 297 A CB 0.125 19.155 19.000 0.050 0.000 0.968 297 A HN 1.117 nan 8.150 nan 0.000 0.509 298 K N 0.728 121.139 120.400 0.018 0.000 2.355 298 K HA 0.221 4.519 4.320 -0.037 0.000 0.198 298 K C -0.439 176.184 176.600 0.038 0.000 1.039 298 K CA 0.124 56.425 56.287 0.023 0.000 1.075 298 K CB 0.547 33.054 32.500 0.012 0.000 0.870 298 K HN 0.487 nan 8.250 nan 0.000 0.540 299 D N 0.520 120.950 120.400 0.051 0.000 2.686 299 D HA 0.309 4.927 4.640 -0.037 0.000 0.249 299 D C 0.118 176.474 176.300 0.094 0.000 1.260 299 D CA -0.527 53.519 54.000 0.077 0.000 0.910 299 D CB 1.930 42.774 40.800 0.073 0.000 1.323 299 D HN 0.074 nan 8.370 nan 0.000 0.561 300 A N 2.500 125.373 122.820 0.088 0.000 2.172 300 A HA 0.337 4.634 4.320 -0.037 0.000 0.216 300 A C 1.436 179.069 177.584 0.081 0.000 1.154 300 A CA 0.877 52.934 52.037 0.033 0.000 0.701 300 A CB -0.643 18.221 19.000 -0.226 0.000 0.789 300 A HN 1.227 nan 8.150 nan 0.000 0.465 301 G N -0.611 108.252 108.800 0.104 0.000 2.385 301 G HA2 -0.181 3.757 3.960 -0.037 0.000 0.294 301 G HA3 -0.181 3.757 3.960 -0.037 0.000 0.294 301 G C -0.192 174.782 174.900 0.122 0.000 1.070 301 G CA 0.385 45.567 45.100 0.136 0.000 1.172 301 G HN 0.492 nan 8.290 nan 0.000 0.516 302 L N -0.349 120.897 121.223 0.039 0.000 2.400 302 L HA 0.789 5.107 4.340 -0.037 0.000 0.264 302 L C 0.476 177.377 176.870 0.052 0.000 1.061 302 L CA -1.195 53.590 54.840 -0.091 0.000 0.799 302 L CB 1.773 43.590 42.059 -0.404 0.000 1.240 302 L HN 0.314 nan 8.230 nan 0.000 0.461 303 F N 1.566 121.368 119.950 -0.248 0.000 2.610 303 F HA 0.440 4.944 4.527 -0.037 0.000 0.355 303 F C -1.155 174.548 175.800 -0.162 0.000 1.140 303 F CA -0.834 57.137 58.000 -0.048 0.000 1.037 303 F CB 0.826 39.875 39.000 0.081 0.000 1.287 303 F HN 0.188 nan 8.300 nan 0.000 0.457 304 F N 5.066 125.251 119.950 0.392 0.000 2.411 304 F HA 0.326 4.830 4.527 -0.038 0.000 0.350 304 F C 0.036 175.854 175.800 0.030 0.000 1.114 304 F CA -0.504 57.577 58.000 0.135 0.000 1.135 304 F CB 1.387 40.391 39.000 0.007 0.000 1.120 304 F HN 0.343 nan 8.300 nan 0.000 0.495 305 K N 5.918 126.286 120.400 -0.053 0.000 2.450 305 K HA 0.483 4.781 4.320 -0.037 0.000 0.257 305 K C -2.973 173.360 176.600 -0.445 0.000 0.953 305 K CA -2.189 53.852 56.287 -0.410 0.000 0.844 305 K CB 1.587 33.726 32.500 -0.603 0.000 1.103 305 K HN 0.146 nan 8.250 nan 0.000 0.429 306 P HA -0.053 nan 4.420 nan 0.000 0.261 306 P C -0.302 176.821 177.300 -0.294 0.000 1.183 306 P CA 0.203 63.054 63.100 -0.415 0.000 0.761 306 P CB 1.237 32.637 31.700 -0.500 0.000 0.785 307 A N 4.365 127.038 122.820 -0.246 0.000 1.898 307 A HA -0.060 4.238 4.320 -0.037 0.000 0.214 307 A C 0.834 178.315 177.584 -0.172 0.000 1.183 307 A CA 1.414 53.318 52.037 -0.222 0.000 0.622 307 A CB -0.380 18.493 19.000 -0.212 0.000 0.824 307 A HN 0.702 nan 8.150 nan 0.000 0.444 308 Q N -3.032 116.655 119.800 -0.188 0.000 2.782 308 Q HA 0.757 5.075 4.340 -0.037 0.000 0.308 308 Q C -1.449 174.424 176.000 -0.212 0.000 0.883 308 Q CA -0.948 54.744 55.803 -0.185 0.000 0.755 308 Q CB 1.094 29.685 28.738 -0.246 0.000 1.454 308 Q HN 0.246 nan 8.270 nan 0.000 0.452 309 M N 0.646 120.109 119.600 -0.229 0.000 2.631 309 M HA 0.563 5.021 4.480 -0.037 0.000 0.288 309 M C -1.385 174.762 176.300 -0.255 0.000 1.260 309 M CA -0.800 54.355 55.300 -0.242 0.000 0.842 309 M CB 2.620 35.087 32.600 -0.222 0.000 1.743 309 M HN 0.468 nan 8.290 nan 0.000 0.461 310 L N 0.956 122.028 121.223 -0.252 0.000 2.307 310 L HA 0.644 4.962 4.340 -0.037 0.000 0.284 310 L C -0.661 176.076 176.870 -0.220 0.000 1.023 310 L CA -0.362 54.349 54.840 -0.216 0.000 0.810 310 L CB 1.982 43.922 42.059 -0.198 0.000 1.231 310 L HN 0.707 nan 8.230 nan 0.000 0.423 311 S N 3.112 118.697 115.700 -0.191 0.000 2.568 311 S HA 0.649 5.097 4.470 -0.037 0.000 0.293 311 S C -0.509 174.084 174.600 -0.011 0.000 1.089 311 S CA -0.560 57.529 58.200 -0.185 0.000 0.945 311 S CB 2.318 65.220 63.200 -0.496 0.000 1.077 311 S HN 0.348 nan 8.310 nan 0.000 0.485 312 I N 1.802 122.419 120.570 0.079 0.000 2.359 312 I HA 0.406 4.554 4.170 -0.037 0.000 0.294 312 I C 0.964 177.245 176.117 0.273 0.000 0.987 312 I CA -0.581 60.791 61.300 0.120 0.000 1.225 312 I CB 1.281 39.304 38.000 0.039 0.000 1.366 312 I HN 0.730 nan 8.210 nan 0.000 0.466 313 G N 3.673 112.603 108.800 0.215 0.000 2.406 313 G HA2 0.040 3.977 3.960 -0.037 0.000 0.251 313 G HA3 0.040 3.977 3.960 -0.037 0.000 0.251 313 G C 0.752 175.785 174.900 0.221 0.000 1.271 313 G CA -0.297 44.940 45.100 0.229 0.000 0.859 313 G HN 0.725 nan 8.290 nan 0.000 0.540 314 K N 1.406 121.917 120.400 0.186 0.000 2.127 314 K HA -0.156 4.142 4.320 -0.037 0.000 0.208 314 K C 1.785 178.485 176.600 0.167 0.000 1.047 314 K CA 1.538 57.934 56.287 0.180 0.000 0.927 314 K CB -0.195 32.334 32.500 0.048 0.000 0.716 314 K HN 0.519 nan 8.250 nan 0.000 0.450 315 S N 0.001 115.755 115.700 0.089 0.000 2.416 315 S HA 0.236 4.684 4.470 -0.037 0.000 0.302 315 S C -0.173 174.461 174.600 0.056 0.000 1.120 315 S CA -0.612 57.629 58.200 0.069 0.000 1.067 315 S CB 1.067 64.283 63.200 0.028 0.000 1.057 315 S HN 0.197 nan 8.310 nan 0.000 0.518 316 T N 2.008 116.583 114.554 0.035 0.000 2.912 316 T HA 0.402 4.730 4.350 -0.037 0.000 0.299 316 T C 0.331 174.987 174.700 -0.074 0.000 1.052 316 T CA -0.845 61.242 62.100 -0.021 0.000 0.996 316 T CB 1.007 69.825 68.868 -0.083 0.000 1.070 316 T HN 0.508 nan 8.240 nan 0.000 0.465 317 K N 2.496 122.802 120.400 -0.157 0.000 2.444 317 K HA 0.096 4.394 4.320 -0.037 0.000 0.193 317 K C -0.183 176.065 176.600 -0.586 0.000 1.024 317 K CA 0.318 56.388 56.287 -0.362 0.000 1.077 317 K CB 0.067 32.286 32.500 -0.467 0.000 0.833 317 K HN 0.655 nan 8.250 nan 0.000 0.517 318 H N -0.254 118.786 119.070 -0.050 0.000 2.616 318 H HA 0.121 4.654 4.556 -0.038 0.000 0.229 318 H C -1.937 173.318 175.328 -0.123 0.000 1.418 318 H CA -1.353 54.661 56.048 -0.056 0.000 1.248 318 H CB 0.967 30.716 29.762 -0.022 0.000 1.822 318 H HN -0.044 nan 8.280 nan 0.000 0.522 319 P HA -0.187 nan 4.420 nan 0.000 0.217 319 P C 1.217 178.425 177.300 -0.152 0.000 1.150 319 P CA 1.314 64.200 63.100 -0.357 0.000 0.832 319 P CB 0.519 31.837 31.700 -0.637 0.000 0.787 320 Q N -0.167 119.614 119.800 -0.031 0.000 2.083 320 Q HA -0.132 4.186 4.340 -0.037 0.000 0.198 320 Q C 2.086 178.110 176.000 0.041 0.000 0.969 320 Q CA 1.194 57.012 55.803 0.025 0.000 0.838 320 Q CB -0.448 28.324 28.738 0.058 0.000 0.900 320 Q HN 0.284 nan 8.270 nan 0.000 0.436 321 E N 0.755 120.985 120.200 0.051 0.000 2.106 321 E HA -0.096 4.232 4.350 -0.037 0.000 0.192 321 E C 2.129 178.745 176.600 0.026 0.000 0.984 321 E CA 1.111 57.547 56.400 0.059 0.000 0.806 321 E CB -0.065 29.662 29.700 0.045 0.000 0.750 321 E HN 0.101 nan 8.360 nan 0.000 0.458 322 S N 0.373 116.067 115.700 -0.010 0.000 2.356 322 S HA -0.204 4.244 4.470 -0.037 0.000 0.223 322 S C 2.070 176.634 174.600 -0.061 0.000 1.032 322 S CA 1.053 59.221 58.200 -0.054 0.000 1.005 322 S CB -0.416 62.744 63.200 -0.067 0.000 0.867 322 S HN 0.428 nan 8.310 nan 0.000 0.449 323 A N 1.628 124.428 122.820 -0.033 0.000 1.883 323 A HA -0.140 4.158 4.320 -0.037 0.000 0.217 323 A C 2.157 179.758 177.584 0.029 0.000 1.186 323 A CA 1.787 53.824 52.037 0.000 0.000 0.624 323 A CB -0.729 18.290 19.000 0.031 0.000 0.822 323 A HN 0.491 nan 8.150 nan 0.000 0.444 324 M N -1.273 118.362 119.600 0.057 0.000 2.144 324 M HA -0.180 4.277 4.480 -0.037 0.000 0.260 324 M C 2.166 178.524 176.300 0.096 0.000 1.067 324 M CA 1.672 57.044 55.300 0.119 0.000 1.095 324 M CB -0.476 32.202 32.600 0.129 0.000 1.365 324 M HN 0.487 nan 8.290 nan 0.000 0.406 325 L N 0.752 121.896 121.223 -0.131 0.000 2.005 325 L HA -0.117 4.201 4.340 -0.037 0.000 0.207 325 L C 2.131 178.868 176.870 -0.221 0.000 1.072 325 L CA 1.774 56.291 54.840 -0.539 0.000 0.744 325 L CB -0.571 41.055 42.059 -0.721 0.000 0.895 325 L HN 0.226 nan 8.230 nan 0.000 0.433 326 I N 0.022 120.517 120.570 -0.125 0.000 2.151 326 I HA -0.381 3.767 4.170 -0.037 0.000 0.243 326 I C 2.476 178.595 176.117 0.005 0.000 1.080 326 I CA 1.967 63.222 61.300 -0.076 0.000 1.339 326 I CB -0.660 37.291 38.000 -0.082 0.000 1.039 326 I HN 0.537 nan 8.210 nan 0.000 0.409 327 N N 0.853 119.592 118.700 0.065 0.000 2.166 327 N HA -0.247 4.471 4.740 -0.037 0.000 0.186 327 N C 2.088 177.677 175.510 0.131 0.000 1.019 327 N CA 1.446 54.570 53.050 0.124 0.000 0.856 327 N CB -0.073 38.500 38.487 0.144 0.000 0.993 327 N HN 0.267 nan 8.380 nan 0.000 0.426 328 F N 1.583 121.555 119.950 0.038 0.000 2.146 328 F HA -0.018 4.487 4.527 -0.037 0.000 0.298 328 F C 2.115 177.922 175.800 0.012 0.000 1.096 328 F CA 0.958 59.007 58.000 0.081 0.000 1.275 328 F CB -0.161 38.965 39.000 0.210 0.000 1.008 328 F HN -0.018 nan 8.300 nan 0.000 0.480 329 L N -0.476 120.783 121.223 0.059 0.000 2.156 329 L HA -0.139 4.179 4.340 -0.037 0.000 0.208 329 L C 2.079 178.884 176.870 -0.109 0.000 1.095 329 L CA 0.798 55.607 54.840 -0.051 0.000 0.770 329 L CB -0.391 41.625 42.059 -0.071 0.000 0.914 329 L HN 0.230 nan 8.230 nan 0.000 0.439 330 L N -1.266 119.932 121.223 -0.042 0.000 2.470 330 L HA 0.098 4.416 4.340 -0.037 0.000 0.219 330 L C 1.589 178.460 176.870 0.002 0.000 1.071 330 L CA 0.328 55.183 54.840 0.026 0.000 0.850 330 L CB -0.029 42.135 42.059 0.175 0.000 1.040 330 L HN 0.280 nan 8.230 nan 0.000 0.475 331 N N -0.846 117.833 118.700 -0.035 0.000 2.382 331 N HA 0.024 4.742 4.740 -0.037 0.000 0.200 331 N C 0.724 176.154 175.510 -0.133 0.000 1.122 331 N CA 0.277 53.280 53.050 -0.078 0.000 0.870 331 N CB 0.577 39.044 38.487 -0.034 0.000 1.176 331 N HN 0.102 nan 8.380 nan 0.000 0.474 332 S N 0.822 116.396 115.700 -0.210 0.000 2.564 332 S HA 0.240 4.687 4.470 -0.037 0.000 0.278 332 S C 1.243 175.677 174.600 -0.277 0.000 1.333 332 S CA -0.403 57.640 58.200 -0.261 0.000 1.048 332 S CB 2.039 64.968 63.200 -0.452 0.000 0.900 332 S HN 0.006 nan 8.310 nan 0.000 0.505 333 K N 1.858 122.153 120.400 -0.175 0.000 2.066 333 K HA -0.276 4.022 4.320 -0.037 0.000 0.221 333 K C 1.973 178.468 176.600 -0.175 0.000 1.056 333 K CA 2.670 58.873 56.287 -0.140 0.000 0.950 333 K CB -0.331 32.119 32.500 -0.083 0.000 0.726 333 K HN 0.787 nan 8.250 nan 0.000 0.456 334 E N -0.894 119.180 120.200 -0.210 0.000 2.072 334 E HA -0.087 4.240 4.350 -0.037 0.000 0.191 334 E C 2.029 178.471 176.600 -0.263 0.000 0.985 334 E CA 1.265 57.576 56.400 -0.148 0.000 0.801 334 E CB -0.361 29.367 29.700 0.047 0.000 0.750 334 E HN 0.483 nan 8.360 nan 0.000 0.452 335 G N 0.627 109.011 108.800 -0.694 0.000 2.433 335 G HA2 -0.231 3.707 3.960 -0.037 0.000 0.216 335 G HA3 -0.231 3.707 3.960 -0.037 0.000 0.216 335 G C 1.756 176.487 174.900 -0.282 0.000 1.186 335 G CA 0.929 45.666 45.100 -0.605 0.000 0.779 335 G HN 0.186 nan 8.290 nan 0.000 0.543 336 V N 0.811 120.570 119.914 -0.259 0.000 2.332 336 V HA -0.195 3.902 4.120 -0.037 0.000 0.248 336 V C 2.582 178.599 176.094 -0.129 0.000 1.055 336 V CA 2.380 64.579 62.300 -0.168 0.000 1.038 336 V CB -0.416 31.319 31.823 -0.147 0.000 0.651 336 V HN 0.607 nan 8.190 nan 0.000 0.450 337 E N -0.030 120.098 120.200 -0.120 0.000 2.017 337 E HA 0.070 4.398 4.350 -0.037 0.000 0.193 337 E C 0.721 177.279 176.600 -0.070 0.000 0.997 337 E CA 1.307 57.657 56.400 -0.083 0.000 0.804 337 E CB 0.082 29.742 29.700 -0.066 0.000 0.757 337 E HN 0.609 nan 8.360 nan 0.000 0.448 338 A N -1.679 121.103 122.820 -0.062 0.000 0.000 338 A HA 0.299 4.596 4.320 -0.037 0.000 0.000 338 A C -0.476 177.059 177.584 -0.082 0.000 0.000 338 A CA -0.599 nan 52.037 nan 0.000 0.000 338 A CB -0.131 18.868 19.000 -0.002 0.000 0.000 338 A HN 0.104 nan 8.150 nan 0.000 0.000 339 L N 0.999 122.156 121.223 -0.110 0.000 2.375 339 L HA 0.381 4.698 4.340 -0.037 0.000 0.215 339 L C 1.977 178.771 176.870 -0.127 0.000 1.108 339 L CA 2.390 57.146 54.840 -0.140 0.000 0.830 339 L CB -1.247 40.714 42.059 -0.164 0.000 0.959 339 L HN 1.969 nan 8.230 nan 0.000 0.457 340 G N -0.054 108.683 108.800 -0.106 0.000 2.594 340 G HA2 -0.344 3.593 3.960 -0.037 0.000 0.297 340 G HA3 -0.344 3.593 3.960 -0.037 0.000 0.297 340 G C 0.643 175.484 174.900 -0.097 0.000 1.273 340 G CA 0.303 45.348 45.100 -0.091 0.000 0.974 340 G HN 0.208 nan 8.290 nan 0.000 0.552 341 L N 1.030 122.200 121.223 -0.088 0.000 2.728 341 L HA 0.210 4.528 4.340 -0.037 0.000 0.235 341 L C 1.993 178.799 176.870 -0.106 0.000 1.197 341 L CA -0.054 54.732 54.840 -0.091 0.000 0.992 341 L CB 0.043 42.058 42.059 -0.073 0.000 1.263 341 L HN 0.462 nan 8.230 nan 0.000 0.484 342 E N 1.212 121.339 120.200 -0.122 0.000 2.401 342 E HA -0.101 4.227 4.350 -0.037 0.000 0.199 342 E C 1.095 177.595 176.600 -0.167 0.000 1.023 342 E CA 0.830 57.146 56.400 -0.139 0.000 0.859 342 E CB 0.173 29.780 29.700 -0.155 0.000 0.780 342 E HN 0.484 nan 8.360 nan 0.000 0.523 343 R N -0.555 119.841 120.500 -0.173 0.000 2.659 343 R HA 0.276 4.594 4.340 -0.037 0.000 0.418 343 R C 0.319 176.523 176.300 -0.161 0.000 1.076 343 R CA 0.316 56.299 56.100 -0.196 0.000 1.093 343 R CB 1.176 31.333 30.300 -0.238 0.000 1.400 343 R HN 0.090 nan 8.270 nan 0.000 0.583 344 G N 0.462 109.184 108.800 -0.131 0.000 2.757 344 G HA2 -0.244 3.693 3.960 -0.037 0.000 0.638 344 G HA3 -0.244 3.693 3.960 -0.037 0.000 0.638 344 G C -0.381 174.463 174.900 -0.093 0.000 1.344 344 G CA -0.876 44.160 45.100 -0.108 0.000 0.855 344 G HN 0.012 nan 8.290 nan 0.000 0.537 345 V N 2.735 122.605 119.914 -0.073 0.000 2.540 345 V HA 0.261 4.359 4.120 -0.037 0.000 0.297 345 V C -1.194 174.864 176.094 -0.061 0.000 1.024 345 V CA 0.129 62.394 62.300 -0.059 0.000 1.105 345 V CB 0.810 32.608 31.823 -0.041 0.000 0.938 345 V HN 0.673 nan 8.190 nan 0.000 0.482 346 P HA 0.108 nan 4.420 nan 0.000 0.269 346 P C 0.556 177.841 177.300 -0.026 0.000 1.209 346 P CA -0.223 62.849 63.100 -0.045 0.000 0.776 346 P CB 0.764 32.433 31.700 -0.051 0.000 0.876 347 L N 2.140 123.372 121.223 0.016 0.000 2.209 347 L HA 0.040 4.358 4.340 -0.037 0.000 0.207 347 L C 1.043 177.925 176.870 0.020 0.000 1.094 347 L CA 0.887 55.750 54.840 0.039 0.000 0.790 347 L CB -0.276 41.842 42.059 0.100 0.000 0.932 347 L HN 0.329 nan 8.230 nan 0.000 0.447 348 S N -0.270 115.444 115.700 0.023 0.000 2.575 348 S HA 0.061 4.509 4.470 -0.037 0.000 0.295 348 S C 1.534 175.988 174.600 -0.243 0.000 1.267 348 S CA 0.183 58.202 58.200 -0.303 0.000 1.074 348 S CB 1.102 64.157 63.200 -0.242 0.000 0.829 348 S HN 0.430 nan 8.310 nan 0.000 0.497 349 A N 4.486 127.127 122.820 -0.299 0.000 1.933 349 A HA -0.068 4.230 4.320 -0.037 0.000 0.218 349 A C 2.375 179.864 177.584 -0.158 0.000 1.175 349 A CA 2.117 54.040 52.037 -0.189 0.000 0.628 349 A CB -1.532 17.361 19.000 -0.178 0.000 0.814 349 A HN 1.085 nan 8.150 nan 0.000 0.444 350 T N -2.406 112.037 114.554 -0.186 0.000 2.896 350 T HA 0.200 4.528 4.350 -0.037 0.000 0.263 350 T C 1.982 176.610 174.700 -0.120 0.000 1.050 350 T CA 1.342 63.358 62.100 -0.139 0.000 1.140 350 T CB -0.529 68.256 68.868 -0.139 0.000 0.877 350 T HN 0.524 nan 8.240 nan 0.000 0.457 351 A N 1.576 124.318 122.820 -0.130 0.000 1.865 351 A HA 0.013 4.311 4.320 -0.037 0.000 0.217 351 A C 2.634 180.165 177.584 -0.087 0.000 1.191 351 A CA 1.786 53.759 52.037 -0.106 0.000 0.623 351 A CB -1.293 17.649 19.000 -0.096 0.000 0.826 351 A HN 0.383 nan 8.150 nan 0.000 0.444 352 V N -0.304 119.558 119.914 -0.086 0.000 2.287 352 V HA -0.275 3.823 4.120 -0.037 0.000 0.248 352 V C 2.765 178.822 176.094 -0.062 0.000 1.053 352 V CA 2.608 64.868 62.300 -0.068 0.000 1.027 352 V CB -1.352 30.432 31.823 -0.065 0.000 0.646 352 V HN 0.623 nan 8.190 nan 0.000 0.447 353 T N -0.915 113.598 114.554 -0.068 0.000 2.720 353 T HA -0.307 4.021 4.350 -0.037 0.000 0.268 353 T C 1.914 176.581 174.700 -0.055 0.000 1.037 353 T CA 2.084 64.149 62.100 -0.059 0.000 1.144 353 T CB -0.225 68.604 68.868 -0.064 0.000 0.864 353 T HN 0.571 nan 8.240 nan 0.000 0.444 354 Q N 0.194 119.957 119.800 -0.063 0.000 2.046 354 Q HA -0.017 4.301 4.340 -0.037 0.000 0.200 354 Q C 2.221 178.188 176.000 -0.054 0.000 0.975 354 Q CA 1.202 56.969 55.803 -0.060 0.000 0.836 354 Q CB -0.202 28.492 28.738 -0.073 0.000 0.896 354 Q HN 0.476 nan 8.270 nan 0.000 0.428 355 L N -0.073 121.116 121.223 -0.057 0.000 2.376 355 L HA -0.070 4.248 4.340 -0.037 0.000 0.219 355 L C 2.478 179.322 176.870 -0.042 0.000 1.133 355 L CA 0.561 55.370 54.840 -0.052 0.000 0.816 355 L CB -0.232 41.793 42.059 -0.057 0.000 0.933 355 L HN 0.186 nan 8.230 nan 0.000 0.449 356 R N 0.176 120.652 120.500 -0.040 0.000 2.062 356 R HA -0.033 4.285 4.340 -0.037 0.000 0.229 356 R C 2.496 178.778 176.300 -0.029 0.000 1.128 356 R CA 1.219 57.300 56.100 -0.032 0.000 0.960 356 R CB -0.354 29.928 30.300 -0.030 0.000 0.855 356 R HN 0.280 nan 8.270 nan 0.000 0.432 357 A N 0.955 123.756 122.820 -0.032 0.000 1.972 357 A HA -0.150 4.147 4.320 -0.037 0.000 0.219 357 A C 2.035 179.603 177.584 -0.027 0.000 1.169 357 A CA 1.864 53.884 52.037 -0.029 0.000 0.635 357 A CB -0.373 18.608 19.000 -0.031 0.000 0.810 357 A HN 0.420 nan 8.150 nan 0.000 0.446 358 S N -2.113 113.569 115.700 -0.031 0.000 2.593 358 S HA 0.386 4.834 4.470 -0.037 0.000 0.217 358 S C 1.359 175.944 174.600 -0.026 0.000 0.966 358 S CA 1.041 59.224 58.200 -0.029 0.000 0.914 358 S CB -0.225 62.955 63.200 -0.034 0.000 0.776 358 S HN 1.907 nan 8.310 nan 0.000 0.523 359 G N 0.313 109.098 108.800 -0.025 0.000 2.176 359 G HA2 -0.288 3.649 3.960 -0.037 0.000 0.253 359 G HA3 -0.288 3.649 3.960 -0.037 0.000 0.253 359 G C 0.683 175.570 174.900 -0.023 0.000 0.979 359 G CA 0.258 45.345 45.100 -0.021 0.000 0.641 359 G HN 0.569 nan 8.290 nan 0.000 0.530 360 V N 0.583 120.480 119.914 -0.028 0.000 2.379 360 V HA 0.189 4.287 4.120 -0.037 0.000 0.245 360 V C 1.736 177.811 176.094 -0.031 0.000 1.044 360 V CA 1.643 63.923 62.300 -0.032 0.000 1.036 360 V CB -0.120 31.679 31.823 -0.040 0.000 0.664 360 V HN 0.488 nan 8.190 nan 0.000 0.453 361 I N 0.140 120.691 120.570 -0.031 0.000 2.365 361 I HA 0.227 4.375 4.170 -0.037 0.000 0.291 361 I C 0.984 177.089 176.117 -0.019 0.000 1.004 361 I CA -0.373 60.910 61.300 -0.027 0.000 1.311 361 I CB 1.574 39.556 38.000 -0.030 0.000 1.401 361 I HN 0.007 nan 8.210 nan 0.000 0.491 362 K N 2.330 122.721 120.400 -0.014 0.000 2.017 362 K HA 0.013 4.310 4.320 -0.037 0.000 0.207 362 K C 0.400 176.998 176.600 -0.004 0.000 1.035 362 K CA 1.205 57.487 56.287 -0.008 0.000 0.947 362 K CB 0.017 32.514 32.500 -0.005 0.000 0.749 362 K HN 0.723 nan 8.250 nan 0.000 0.443 363 D N -2.881 117.519 120.400 0.000 0.000 1.693 363 D HA -0.120 4.498 4.640 -0.037 0.000 0.249 363 D C 0.757 177.064 176.300 0.011 0.000 0.851 363 D CA 1.407 55.409 54.000 0.004 0.000 1.265 363 D CB -0.861 39.939 40.800 0.001 0.000 1.446 363 D HN 0.262 nan 8.370 nan 0.000 0.757 364 E N 0.608 120.816 120.200 0.013 0.000 2.372 364 E HA 0.153 4.481 4.350 -0.037 0.000 0.201 364 E C 0.166 176.783 176.600 0.028 0.000 0.938 364 E CA 0.246 56.658 56.400 0.020 0.000 0.944 364 E CB 0.387 30.098 29.700 0.018 0.000 0.937 364 E HN 0.298 nan 8.360 nan 0.000 0.495 365 D N 1.821 122.234 120.400 0.022 0.000 2.487 365 D HA -0.018 4.599 4.640 -0.037 0.000 0.243 365 D C -1.793 174.532 176.300 0.041 0.000 1.154 365 D CA -1.631 52.384 54.000 0.025 0.000 0.876 365 D CB 1.188 41.995 40.800 0.010 0.000 1.161 365 D HN -0.149 nan 8.370 nan 0.000 0.478 366 P HA -0.012 nan 4.420 nan 0.000 0.230 366 P C 1.301 178.697 177.300 0.160 0.000 1.168 366 P CA 0.306 63.482 63.100 0.128 0.000 0.793 366 P CB 0.253 32.044 31.700 0.151 0.000 0.851 367 S N -0.430 115.308 115.700 0.064 0.000 2.368 367 S HA -0.121 4.326 4.470 -0.037 0.000 0.225 367 S C 1.863 176.494 174.600 0.052 0.000 1.030 367 S CA 1.528 59.754 58.200 0.043 0.000 0.999 367 S CB -1.097 62.090 63.200 -0.021 0.000 0.844 367 S HN -0.118 nan 8.310 nan 0.000 0.459 368 V N 1.912 121.847 119.914 0.034 0.000 2.379 368 V HA 0.012 4.109 4.120 -0.037 0.000 0.245 368 V C 2.934 179.047 176.094 0.032 0.000 1.044 368 V CA 1.517 63.831 62.300 0.023 0.000 1.036 368 V CB -1.270 30.558 31.823 0.008 0.000 0.664 368 V HN 0.621 nan 8.190 nan 0.000 0.453 369 A N 0.551 123.396 122.820 0.042 0.000 1.933 369 A HA -0.072 4.226 4.320 -0.037 0.000 0.218 369 A C 2.384 179.981 177.584 0.021 0.000 1.175 369 A CA 1.864 53.921 52.037 0.032 0.000 0.628 369 A CB -1.084 17.940 19.000 0.039 0.000 0.814 369 A HN 0.518 nan 8.150 nan 0.000 0.444 370 G N -0.260 108.570 108.800 0.050 0.000 2.402 370 G HA2 -0.107 3.830 3.960 -0.037 0.000 0.216 370 G HA3 -0.107 3.830 3.960 -0.037 0.000 0.216 370 G C 1.472 176.369 174.900 -0.004 0.000 1.162 370 G CA 1.159 46.259 45.100 -0.000 0.000 0.777 370 G HN 0.478 nan 8.290 nan 0.000 0.539 371 L N 1.065 122.310 121.223 0.035 0.000 2.056 371 L HA 0.061 4.379 4.340 -0.037 0.000 0.207 371 L C 2.237 179.147 176.870 0.067 0.000 1.078 371 L CA 1.660 56.534 54.840 0.057 0.000 0.749 371 L CB -0.672 41.424 42.059 0.062 0.000 0.901 371 L HN 0.081 nan 8.230 nan 0.000 0.433 372 N N -0.473 118.251 118.700 0.040 0.000 2.166 372 N HA -0.233 4.484 4.740 -0.037 0.000 0.186 372 N C 1.910 177.442 175.510 0.037 0.000 1.019 372 N CA 1.796 54.867 53.050 0.036 0.000 0.856 372 N CB -0.261 38.238 38.487 0.020 0.000 0.993 372 N HN 0.502 nan 8.380 nan 0.000 0.426 373 M N 0.852 120.461 119.600 0.015 0.000 2.080 373 M HA -0.173 4.285 4.480 -0.037 0.000 0.260 373 M C 2.014 178.319 176.300 0.007 0.000 1.068 373 M CA 1.772 57.075 55.300 0.004 0.000 1.109 373 M CB -0.101 32.483 32.600 -0.027 0.000 1.342 373 M HN 0.115 nan 8.290 nan 0.000 0.405 374 A N 0.693 123.507 122.820 -0.011 0.000 1.908 374 A HA -0.159 4.138 4.320 -0.037 0.000 0.218 374 A C 2.028 179.703 177.584 0.152 0.000 1.181 374 A CA 1.655 53.662 52.037 -0.051 0.000 0.627 374 A CB -1.096 17.789 19.000 -0.192 0.000 0.818 374 A HN 0.631 nan 8.150 nan 0.000 0.445 375 L N -1.134 120.226 121.223 0.229 0.000 2.083 375 L HA -0.196 4.122 4.340 -0.037 0.000 0.209 375 L C 2.473 179.477 176.870 0.222 0.000 1.083 375 L CA 1.688 56.648 54.840 0.200 0.000 0.752 375 L CB -0.356 41.757 42.059 0.090 0.000 0.899 375 L HN 0.477 nan 8.230 nan 0.000 0.433 376 E N -0.648 119.637 120.200 0.142 0.000 2.340 376 E HA 0.094 4.422 4.350 -0.037 0.000 0.194 376 E C 0.576 177.246 176.600 0.118 0.000 0.996 376 E CA -0.317 56.148 56.400 0.109 0.000 0.869 376 E CB 0.311 30.045 29.700 0.057 0.000 0.835 376 E HN 0.326 nan 8.360 nan 0.000 0.493 377 L N 3.241 124.533 121.223 0.115 0.000 2.516 377 L HA 0.017 4.335 4.340 -0.037 0.000 0.288 377 L C -1.958 175.054 176.870 0.238 0.000 1.246 377 L CA -1.296 53.608 54.840 0.107 0.000 0.844 377 L CB -0.311 41.736 42.059 -0.019 0.000 1.106 377 L HN -0.076 nan 8.230 nan 0.000 0.509 378 P HA 0.078 nan 4.420 nan 0.000 0.271 378 P C -1.179 176.235 177.300 0.190 0.000 1.226 378 P CA 0.397 63.561 63.100 0.106 0.000 0.765 378 P CB 0.427 32.160 31.700 0.054 0.000 0.835 379 H N 1.409 120.501 119.070 0.036 0.000 3.079 379 H HA 0.411 4.945 4.556 -0.037 0.000 0.356 379 H C -0.813 174.549 175.328 0.058 0.000 1.221 379 H CA -0.851 55.234 56.048 0.061 0.000 1.185 379 H CB 1.613 31.449 29.762 0.122 0.000 1.882 379 H HN 0.363 nan 8.280 nan 0.000 0.543 380 K N 1.046 121.494 120.400 0.081 0.000 2.770 380 K HA 0.237 4.534 4.320 -0.037 0.000 0.195 380 K C -0.132 176.523 176.600 0.091 0.000 1.515 380 K CA -0.138 56.165 56.287 0.025 0.000 1.199 380 K CB 0.833 33.339 32.500 0.011 0.000 1.681 380 K HN 0.359 nan 8.250 nan 0.000 0.586 381 M N 2.998 122.671 119.600 0.121 0.000 2.228 381 M HA 0.128 4.586 4.480 -0.037 0.000 0.351 381 M C 0.272 176.666 176.300 0.156 0.000 1.233 381 M CA 0.254 55.623 55.300 0.114 0.000 1.129 381 M CB 0.743 33.398 32.600 0.091 0.000 1.604 381 M HN 0.352 nan 8.290 nan 0.000 0.457 382 T N -0.242 114.395 114.554 0.138 0.000 2.937 382 T HA 0.634 4.961 4.350 -0.037 0.000 0.283 382 T C 0.008 174.783 174.700 0.125 0.000 1.012 382 T CA -0.767 61.439 62.100 0.177 0.000 0.997 382 T CB 1.453 70.427 68.868 0.176 0.000 1.136 382 T HN 0.555 nan 8.240 nan 0.000 0.551 383 T N 1.901 116.557 114.554 0.172 0.000 2.829 383 T HA 0.533 4.861 4.350 -0.037 0.000 0.282 383 T C 0.199 175.079 174.700 0.300 0.000 0.990 383 T CA -0.549 61.606 62.100 0.093 0.000 1.028 383 T CB 1.334 70.126 68.868 -0.127 0.000 0.951 383 T HN 0.828 nan 8.240 nan 0.000 0.460 384 S N 3.662 119.455 115.700 0.154 0.000 2.565 384 S HA 0.211 4.659 4.470 -0.037 0.000 0.276 384 S C -1.211 173.343 174.600 -0.077 0.000 1.326 384 S CA -1.552 56.729 58.200 0.135 0.000 1.045 384 S CB 0.593 63.869 63.200 0.127 0.000 0.918 384 S HN 0.437 nan 8.310 nan 0.000 0.505 385 P HA -0.078 nan 4.420 nan 0.000 0.222 385 P C 0.519 177.346 177.300 -0.788 0.000 1.147 385 P CA 1.145 63.361 63.100 -1.474 0.000 0.790 385 P CB -0.164 30.528 31.700 -1.681 0.000 0.780 386 Y N -1.823 118.319 120.300 -0.263 0.000 2.421 386 Y HA -0.052 4.476 4.550 -0.037 0.000 0.292 386 Y C 2.297 178.173 175.900 -0.041 0.000 1.136 386 Y CA 0.560 58.571 58.100 -0.148 0.000 1.255 386 Y CB -1.291 37.079 38.460 -0.151 0.000 0.991 386 Y HN -0.109 nan 8.280 nan 0.000 0.552 387 F N 0.732 120.661 119.950 -0.035 0.000 2.365 387 F HA -0.141 4.363 4.527 -0.037 0.000 0.300 387 F C 1.515 177.387 175.800 0.120 0.000 1.090 387 F CA 1.348 59.377 58.000 0.048 0.000 1.408 387 F CB 0.003 38.982 39.000 -0.035 0.000 1.060 387 F HN -0.054 nan 8.300 nan 0.000 0.534 388 D N -0.040 120.447 120.400 0.144 0.000 2.340 388 D HA -0.018 4.600 4.640 -0.037 0.000 0.217 388 D C -0.170 176.188 176.300 0.098 0.000 1.081 388 D CA 0.006 54.141 54.000 0.226 0.000 0.842 388 D CB -0.555 40.570 40.800 0.541 0.000 0.934 388 D HN 0.076 nan 8.370 nan 0.000 0.511 389 D N 0.198 120.612 120.400 0.024 0.000 2.531 389 D HA -0.058 4.560 4.640 -0.037 0.000 0.239 389 D C -1.629 174.709 176.300 0.063 0.000 1.144 389 D CA -1.182 52.838 54.000 0.033 0.000 0.869 389 D CB 1.584 42.413 40.800 0.050 0.000 1.160 389 D HN 0.077 nan 8.370 nan 0.000 0.484 390 P HA -0.056 nan 4.420 nan 0.000 0.222 390 P C 1.075 178.429 177.300 0.090 0.000 1.153 390 P CA 0.956 64.112 63.100 0.094 0.000 0.798 390 P CB 0.258 32.011 31.700 0.089 0.000 0.796 391 Q N -0.595 119.243 119.800 0.062 0.000 2.096 391 Q HA -0.157 4.161 4.340 -0.037 0.000 0.204 391 Q C 1.948 177.986 176.000 0.063 0.000 0.982 391 Q CA 1.202 57.035 55.803 0.050 0.000 0.850 391 Q CB -0.695 28.053 28.738 0.018 0.000 0.901 391 Q HN 0.227 nan 8.270 nan 0.000 0.422 392 I N 0.417 121.030 120.570 0.071 0.000 2.163 392 I HA -0.232 3.916 4.170 -0.037 0.000 0.243 392 I C 2.364 178.607 176.117 0.209 0.000 1.085 392 I CA 1.218 62.586 61.300 0.113 0.000 1.347 392 I CB -1.170 36.895 38.000 0.108 0.000 1.044 392 I HN 0.090 nan 8.210 nan 0.000 0.408 393 V N 0.366 120.383 119.914 0.171 0.000 2.287 393 V HA -0.282 3.816 4.120 -0.037 0.000 0.248 393 V C 2.774 179.089 176.094 0.368 0.000 1.053 393 V CA 2.183 64.638 62.300 0.259 0.000 1.027 393 V CB -0.875 31.074 31.823 0.209 0.000 0.646 393 V HN 0.434 nan 8.190 nan 0.000 0.447 394 S N -0.183 115.664 115.700 0.245 0.000 2.368 394 S HA -0.191 4.257 4.470 -0.037 0.000 0.225 394 S C 1.975 176.641 174.600 0.111 0.000 1.030 394 S CA 1.838 60.130 58.200 0.154 0.000 0.999 394 S CB -0.412 62.849 63.200 0.103 0.000 0.844 394 S HN 0.414 nan 8.310 nan 0.000 0.459 395 L N 0.880 122.196 121.223 0.154 0.000 2.043 395 L HA -0.032 4.286 4.340 -0.037 0.000 0.212 395 L C 1.941 179.015 176.870 0.341 0.000 1.075 395 L CA 2.123 57.070 54.840 0.179 0.000 0.752 395 L CB -1.202 40.880 42.059 0.039 0.000 0.891 395 L HN 0.501 nan 8.230 nan 0.000 0.432 396 F N 0.193 120.353 119.950 0.350 0.000 2.146 396 F HA 0.043 4.548 4.527 -0.037 0.000 0.298 396 F C 2.210 178.055 175.800 0.076 0.000 1.096 396 F CA 1.375 59.548 58.000 0.288 0.000 1.275 396 F CB -0.949 38.160 39.000 0.180 0.000 1.008 396 F HN 0.147 nan 8.300 nan 0.000 0.480 397 G N 0.536 109.331 108.800 -0.008 0.000 2.631 397 G HA2 -0.391 3.547 3.960 -0.037 0.000 0.219 397 G HA3 -0.391 3.547 3.960 -0.037 0.000 0.219 397 G C 1.409 176.054 174.900 -0.425 0.000 1.214 397 G CA 1.363 46.190 45.100 -0.456 0.000 0.785 397 G HN 0.354 nan 8.290 nan 0.000 0.596 398 D N 0.986 121.182 120.400 -0.339 0.000 2.126 398 D HA -0.161 4.457 4.640 -0.037 0.000 0.190 398 D C 2.823 178.656 176.300 -0.779 0.000 1.001 398 D CA 1.706 55.385 54.000 -0.535 0.000 0.841 398 D CB -0.727 39.913 40.800 -0.268 0.000 0.949 398 D HN 0.351 nan 8.370 nan 0.000 0.446 399 A N 0.984 123.594 122.820 -0.351 0.000 1.902 399 A HA -0.140 4.158 4.320 -0.037 0.000 0.217 399 A C 2.386 179.784 177.584 -0.311 0.000 1.181 399 A CA 1.664 53.582 52.037 -0.199 0.000 0.623 399 A CB -0.832 18.134 19.000 -0.056 0.000 0.818 399 A HN 0.460 nan 8.150 nan 0.000 0.443 400 I N -2.837 117.438 120.570 -0.491 0.000 2.439 400 I HA -0.220 3.928 4.170 -0.037 0.000 0.251 400 I C 2.182 178.227 176.117 -0.120 0.000 1.139 400 I CA 1.660 62.689 61.300 -0.452 0.000 1.438 400 I CB -0.684 36.713 38.000 -1.005 0.000 1.085 400 I HN 0.290 nan 8.210 nan 0.000 0.427 401 Q N 0.590 120.282 119.800 -0.180 0.000 2.096 401 Q HA -0.198 4.120 4.340 -0.037 0.000 0.204 401 Q C 2.179 178.215 176.000 0.059 0.000 0.982 401 Q CA 2.058 57.854 55.803 -0.012 0.000 0.850 401 Q CB -0.427 28.161 28.738 -0.251 0.000 0.901 401 Q HN 0.591 nan 8.270 nan 0.000 0.422 402 Y N 0.660 120.944 120.300 -0.026 0.000 2.128 402 Y HA -0.225 4.303 4.550 -0.037 0.000 0.284 402 Y C 2.108 178.028 175.900 0.034 0.000 1.154 402 Y CA 0.785 58.859 58.100 -0.043 0.000 1.149 402 Y CB -0.694 37.665 38.460 -0.168 0.000 0.976 402 Y HN 0.080 nan 8.280 nan 0.000 0.505 403 I N 0.244 120.930 120.570 0.194 0.000 2.068 403 I HA -0.365 3.782 4.170 -0.037 0.000 0.238 403 I C 1.899 178.137 176.117 0.201 0.000 1.046 403 I CA 1.973 63.390 61.300 0.194 0.000 1.306 403 I CB -0.513 37.642 38.000 0.259 0.000 1.023 403 I HN 0.157 nan 8.210 nan 0.000 0.399 404 D N -0.384 120.156 120.400 0.233 0.000 2.310 404 D HA -0.147 4.471 4.640 -0.037 0.000 0.212 404 D C 1.457 177.741 176.300 -0.027 0.000 0.965 404 D CA 1.397 55.467 54.000 0.117 0.000 0.879 404 D CB -0.086 40.780 40.800 0.111 0.000 0.921 404 D HN 0.489 nan 8.370 nan 0.000 0.510 405 Y N -0.469 119.873 120.300 0.070 0.000 2.555 405 Y HA 0.308 4.836 4.550 -0.037 0.000 0.259 405 Y C 1.591 177.525 175.900 0.055 0.000 1.179 405 Y CA -0.190 57.946 58.100 0.059 0.000 1.230 405 Y CB 0.720 39.209 38.460 0.047 0.000 1.146 405 Y HN -0.065 nan 8.280 nan 0.000 0.526 406 G N 0.943 109.847 108.800 0.173 0.000 2.249 406 G HA2 -0.324 3.614 3.960 -0.037 0.000 0.273 406 G HA3 -0.324 3.614 3.960 -0.037 0.000 0.273 406 G C 0.720 175.676 174.900 0.093 0.000 1.036 406 G CA 0.692 45.857 45.100 0.108 0.000 0.824 406 G HN 0.535 nan 8.290 nan 0.000 0.504 407 Q N -1.169 118.698 119.800 0.113 0.000 2.373 407 Q HA 0.179 4.497 4.340 -0.037 0.000 0.210 407 Q C 0.963 176.928 176.000 -0.058 0.000 0.913 407 Q CA 0.669 56.496 55.803 0.040 0.000 0.911 407 Q CB 0.674 29.459 28.738 0.078 0.000 1.040 407 Q HN 0.536 nan 8.270 nan 0.000 0.521 408 K N 1.193 121.574 120.400 -0.033 0.000 2.469 408 K HA 0.295 4.593 4.320 -0.037 0.000 0.254 408 K C -0.547 176.043 176.600 -0.018 0.000 0.939 408 K CA -0.404 55.825 56.287 -0.095 0.000 0.812 408 K CB 2.237 34.609 32.500 -0.212 0.000 1.301 408 K HN 0.003 nan 8.250 nan 0.000 0.433 409 T N -2.193 112.348 114.554 -0.022 0.000 2.754 409 T HA 0.085 4.413 4.350 -0.037 0.000 0.286 409 T C 1.537 176.248 174.700 0.019 0.000 0.997 409 T CA -0.746 61.363 62.100 0.014 0.000 0.982 409 T CB 0.723 69.599 68.868 0.014 0.000 1.027 409 T HN 0.186 nan 8.240 nan 0.000 0.529 410 V N 1.152 121.103 119.914 0.062 0.000 2.380 410 V HA -0.194 3.904 4.120 -0.037 0.000 0.251 410 V C 2.956 179.084 176.094 0.057 0.000 1.063 410 V CA 2.445 64.806 62.300 0.100 0.000 1.055 410 V CB -1.090 30.834 31.823 0.167 0.000 0.657 410 V HN 0.965 nan 8.190 nan 0.000 0.455 411 Q N 0.289 120.120 119.800 0.051 0.000 2.062 411 Q HA -0.157 4.161 4.340 -0.037 0.000 0.196 411 Q C 2.103 178.109 176.000 0.009 0.000 0.967 411 Q CA 1.845 57.681 55.803 0.054 0.000 0.832 411 Q CB -0.253 28.517 28.738 0.053 0.000 0.899 411 Q HN 0.712 nan 8.270 nan 0.000 0.442 412 E N -0.825 119.361 120.200 -0.023 0.000 2.204 412 E HA -0.133 4.195 4.350 -0.037 0.000 0.195 412 E C 1.780 178.324 176.600 -0.094 0.000 0.990 412 E CA 1.443 57.810 56.400 -0.055 0.000 0.821 412 E CB 0.019 29.666 29.700 -0.088 0.000 0.750 412 E HN 0.364 nan 8.360 nan 0.000 0.477 413 T N 0.893 115.356 114.554 -0.152 0.000 2.732 413 T HA -0.096 4.232 4.350 -0.037 0.000 0.261 413 T C 2.100 176.524 174.700 -0.460 0.000 1.040 413 T CA 1.055 62.981 62.100 -0.290 0.000 1.145 413 T CB -0.299 68.340 68.868 -0.383 0.000 0.866 413 T HN 0.262 nan 8.240 nan 0.000 0.427 414 A N 1.669 124.244 122.820 -0.409 0.000 1.915 414 A HA -0.271 4.026 4.320 -0.037 0.000 0.220 414 A C 2.181 179.732 177.584 -0.054 0.000 1.198 414 A CA 2.196 54.178 52.037 -0.093 0.000 0.647 414 A CB -0.684 18.468 19.000 0.252 0.000 0.825 414 A HN 0.599 nan 8.150 nan 0.000 0.456 415 E N -2.421 117.767 120.200 -0.021 0.000 2.112 415 E HA -0.111 4.217 4.350 -0.037 0.000 0.190 415 E C 1.879 178.451 176.600 -0.047 0.000 0.979 415 E CA 0.980 57.376 56.400 -0.007 0.000 0.814 415 E CB -0.242 29.471 29.700 0.022 0.000 0.762 415 E HN 0.774 nan 8.360 nan 0.000 0.460 416 Y N 0.409 120.615 120.300 -0.157 0.000 2.114 416 Y HA -0.294 4.234 4.550 -0.037 0.000 0.284 416 Y C 1.997 177.796 175.900 -0.169 0.000 1.143 416 Y CA 1.721 59.728 58.100 -0.156 0.000 1.135 416 Y CB -0.390 37.968 38.460 -0.169 0.000 0.980 416 Y HN 0.025 nan 8.280 nan 0.000 0.499 417 F N 1.136 120.933 119.950 -0.254 0.000 2.091 417 F HA -0.330 4.175 4.527 -0.037 0.000 0.299 417 F C 2.520 177.948 175.800 -0.620 0.000 1.103 417 F CA 2.168 59.914 58.000 -0.423 0.000 1.228 417 F CB -0.751 38.010 39.000 -0.398 0.000 0.984 417 F HN 0.130 nan 8.300 nan 0.000 0.477 418 N N 0.803 119.184 118.700 -0.533 0.000 2.037 418 N HA -0.254 4.464 4.740 -0.037 0.000 0.196 418 N C 1.985 177.336 175.510 -0.265 0.000 1.034 418 N CA 1.659 54.425 53.050 -0.472 0.000 0.861 418 N CB -0.377 37.985 38.487 -0.207 0.000 1.039 418 N HN 0.258 nan 8.380 nan 0.000 0.427 419 K N 0.329 120.571 120.400 -0.263 0.000 1.991 419 K HA -0.030 4.268 4.320 -0.037 0.000 0.207 419 K C 1.873 178.294 176.600 -0.299 0.000 1.045 419 K CA 0.894 57.047 56.287 -0.224 0.000 0.937 419 K CB -0.223 32.153 32.500 -0.207 0.000 0.720 419 K HN 0.256 nan 8.250 nan 0.000 0.438 420 Q N -0.342 119.169 119.800 -0.482 0.000 2.135 420 Q HA -0.114 4.204 4.340 -0.037 0.000 0.204 420 Q C 2.081 177.848 176.000 -0.389 0.000 0.981 420 Q CA 1.644 57.157 55.803 -0.483 0.000 0.856 420 Q CB -0.678 27.631 28.738 -0.715 0.000 0.902 420 Q HN 0.479 nan 8.270 nan 0.000 0.425 421 G N 1.196 109.695 108.800 -0.502 0.000 2.402 421 G HA2 -0.240 3.698 3.960 -0.037 0.000 0.216 421 G HA3 -0.240 3.698 3.960 -0.037 0.000 0.216 421 G C 1.003 175.896 174.900 -0.011 0.000 1.162 421 G CA 0.843 45.748 45.100 -0.326 0.000 0.777 421 G HN 0.262 nan 8.290 nan 0.000 0.539 422 D N 0.457 120.864 120.400 0.011 0.000 2.178 422 D HA -0.065 4.553 4.640 -0.037 0.000 0.201 422 D C 2.743 178.995 176.300 -0.079 0.000 0.980 422 D CA 0.518 54.518 54.000 -0.000 0.000 0.842 422 D CB -0.092 40.727 40.800 0.032 0.000 0.948 422 D HN 0.292 nan 8.370 nan 0.000 0.472 423 R N 0.357 120.790 120.500 -0.111 0.000 2.092 423 R HA -0.010 4.308 4.340 -0.037 0.000 0.231 423 R C 2.472 178.706 176.300 -0.109 0.000 1.119 423 R CA 0.498 56.532 56.100 -0.110 0.000 0.970 423 R CB -0.604 29.625 30.300 -0.119 0.000 0.864 423 R HN 0.293 nan 8.270 nan 0.000 0.440 424 I N 1.531 122.032 120.570 -0.116 0.000 2.142 424 I HA -0.265 3.883 4.170 -0.037 0.000 0.240 424 I C 2.509 178.559 176.117 -0.112 0.000 1.078 424 I CA 1.308 62.551 61.300 -0.095 0.000 1.343 424 I CB -0.386 37.567 38.000 -0.078 0.000 1.046 424 I HN 0.019 nan 8.210 nan 0.000 0.405 425 L N 0.454 121.586 121.223 -0.151 0.000 2.042 425 L HA -0.258 4.060 4.340 -0.037 0.000 0.210 425 L C 2.645 179.366 176.870 -0.249 0.000 1.076 425 L CA 1.484 56.176 54.840 -0.248 0.000 0.749 425 L CB -0.695 41.163 42.059 -0.334 0.000 0.893 425 L HN 0.256 nan 8.230 nan 0.000 0.432 426 K N 0.264 120.560 120.400 -0.174 0.000 2.009 426 K HA -0.210 4.088 4.320 -0.037 0.000 0.210 426 K C 2.343 178.864 176.600 -0.131 0.000 1.049 426 K CA 1.551 57.752 56.287 -0.144 0.000 0.929 426 K CB -0.006 32.432 32.500 -0.103 0.000 0.714 426 K HN 0.216 nan 8.250 nan 0.000 0.440 427 R N -0.278 120.156 120.500 -0.109 0.000 2.080 427 R HA -0.137 4.181 4.340 -0.037 0.000 0.236 427 R C 2.387 178.632 176.300 -0.092 0.000 1.137 427 R CA 1.502 57.549 56.100 -0.088 0.000 0.943 427 R CB -0.399 29.859 30.300 -0.070 0.000 0.846 427 R HN 0.241 nan 8.270 nan 0.000 0.431 428 A N 0.749 123.508 122.820 -0.102 0.000 1.930 428 A HA -0.104 4.194 4.320 -0.037 0.000 0.217 428 A C 2.034 179.557 177.584 -0.101 0.000 1.175 428 A CA 1.261 53.271 52.037 -0.046 0.000 0.627 428 A CB -0.291 18.733 19.000 0.041 0.000 0.815 428 A HN 0.210 nan 8.150 nan 0.000 0.443 429 M N 0.091 119.472 119.600 -0.365 0.000 2.618 429 M HA 0.031 4.489 4.480 -0.037 0.000 0.240 429 M C 1.313 177.480 176.300 -0.222 0.000 1.123 429 M CA 0.038 54.990 55.300 -0.580 0.000 1.060 429 M CB -0.210 31.950 32.600 -0.734 0.000 1.535 429 M HN 0.483 nan 8.290 nan 0.000 0.507 430 R N 0.000 120.418 120.500 -0.136 0.000 2.786 430 R HA 0.000 4.318 4.340 -0.037 0.000 0.208 430 R CA 0.000 56.054 56.100 -0.077 0.000 0.921 430 R CB 0.000 30.260 30.300 -0.067 0.000 0.687 430 R HN 0.000 nan 8.270 nan 0.000 0.535