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 1mzc_1_A DATA FIRST_RESID 55 DATA SEQUENCE FVSLDSPSYV LYRDRAEWAD IDPVPQNDGP NPVVQIIYSD KFRDVYDYFR DATA SEQUENCE AVLQRDERSE RAFKLTRDAI ELNAANYTVW HFRRVLLKSL QKDLHEEMNY DATA SEQUENCE ITAIIEEQPK NYQVWHHRRV LVEWLRDPSQ ELEFIADILN QDAKNYHAWQ DATA SEQUENCE HRQWVIQEFK LWDNELQYVD QLLKEDVRNN SVWNQRYFVI SNTTGYNDRA DATA SEQUENCE VLEREVQYTL EMIKLVPHNE SAWNYLKGIL QDRGLSKYPN LLNQLLDLQP DATA SEQUENCE SHSSPYLIAF LVDIYEDMLE NQCDNKEDIL NKALELCEIL AKEKDTIRKE DATA SEQUENCE YWRYIGRSLQ SKH 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 55 F HA 0.000 nan 4.527 nan 0.000 0.279 55 F C 0.000 175.814 175.800 0.023 0.000 0.967 55 F CA 0.000 58.010 58.000 0.017 0.000 1.383 55 F CB 0.000 39.008 39.000 0.013 0.000 1.145 56 V N 1.046 121.115 119.914 0.257 0.000 2.623 56 V HA 0.374 4.494 4.120 -0.000 0.000 0.304 56 V C -0.241 175.974 176.094 0.201 0.000 1.054 56 V CA -0.741 61.666 62.300 0.178 0.000 0.882 56 V CB 1.553 33.462 31.823 0.144 0.000 1.002 56 V HN 0.281 nan 8.190 nan 0.000 0.424 57 S N 3.235 119.013 115.700 0.130 0.000 2.614 57 S HA 0.423 4.893 4.470 -0.000 0.000 0.265 57 S C 1.090 175.644 174.600 -0.077 0.000 1.303 57 S CA -0.412 57.815 58.200 0.046 0.000 1.000 57 S CB 0.858 64.065 63.200 0.012 0.000 0.935 57 S HN 0.624 nan 8.310 nan 0.000 0.551 58 L N 1.753 122.802 121.223 -0.290 0.000 2.265 58 L HA -0.065 4.275 4.340 -0.000 0.000 0.215 58 L C 1.046 177.619 176.870 -0.495 0.000 1.117 58 L CA 1.370 55.770 54.840 -0.734 0.000 0.782 58 L CB -0.313 41.467 42.059 -0.466 0.000 0.914 58 L HN 0.688 nan 8.230 nan 0.000 0.441 59 D N -2.047 118.226 120.400 -0.212 0.000 2.369 59 D HA 0.032 4.672 4.640 -0.000 0.000 0.211 59 D C 0.617 176.894 176.300 -0.038 0.000 1.077 59 D CA 0.021 53.958 54.000 -0.106 0.000 0.842 59 D CB 0.309 41.073 40.800 -0.061 0.000 0.947 59 D HN 0.020 nan 8.370 nan 0.000 0.509 60 S N 2.282 117.977 115.700 -0.008 0.000 2.560 60 S HA 0.040 4.510 4.470 -0.000 0.000 0.284 60 S C -1.177 173.462 174.600 0.066 0.000 1.327 60 S CA -0.889 57.337 58.200 0.043 0.000 1.055 60 S CB 1.025 64.272 63.200 0.078 0.000 0.868 60 S HN 0.177 nan 8.310 nan 0.000 0.506 61 P HA -0.101 nan 4.420 nan 0.000 0.218 61 P C 0.903 178.233 177.300 0.050 0.000 1.148 61 P CA 1.098 64.223 63.100 0.041 0.000 0.822 61 P CB -0.040 31.674 31.700 0.023 0.000 0.784 62 S N -2.704 113.025 115.700 0.049 0.000 2.597 62 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 62 S C 0.483 175.103 174.600 0.034 0.000 0.955 62 S CA -0.888 57.326 58.200 0.024 0.000 0.933 62 S CB -1.299 61.897 63.200 -0.007 0.000 0.788 62 S HN 0.035 nan 8.310 nan 0.000 0.488 63 Y N 2.038 122.313 120.300 -0.041 0.000 2.610 63 Y HA 0.397 4.947 4.550 -0.000 0.000 0.332 63 Y C -0.391 175.464 175.900 -0.076 0.000 1.201 63 Y CA 0.017 58.083 58.100 -0.058 0.000 1.465 63 Y CB 0.534 38.969 38.460 -0.040 0.000 1.283 63 Y HN 0.088 nan 8.280 nan 0.000 0.563 64 V N 7.712 127.150 119.914 -0.793 0.000 2.588 64 V HA 0.259 4.379 4.120 -0.000 0.000 0.304 64 V C -0.272 175.289 176.094 -0.889 0.000 1.042 64 V CA -1.295 60.645 62.300 -0.601 0.000 0.877 64 V CB 1.708 33.295 31.823 -0.393 0.000 0.996 64 V HN 0.686 nan 8.190 nan 0.000 0.425 65 L N 3.592 124.544 121.223 -0.452 0.000 2.485 65 L HA 0.090 4.430 4.340 -0.000 0.000 0.275 65 L C 1.083 177.705 176.870 -0.413 0.000 1.207 65 L CA 0.141 54.809 54.840 -0.287 0.000 0.855 65 L CB 0.030 42.058 42.059 -0.052 0.000 1.114 65 L HN 0.684 nan 8.230 nan 0.000 0.485 66 Y N 1.525 121.520 120.300 -0.508 0.000 2.256 66 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 66 Y C 2.439 177.898 175.900 -0.736 0.000 1.155 66 Y CA 1.524 59.114 58.100 -0.850 0.000 1.203 66 Y CB -0.352 37.249 38.460 -1.431 0.000 0.980 66 Y HN 0.554 nan 8.280 nan 0.000 0.530 67 R N -0.357 120.004 120.500 -0.233 0.000 2.285 67 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 67 R C 0.345 176.650 176.300 0.008 0.000 1.068 67 R CA 1.687 57.817 56.100 0.050 0.000 1.004 67 R CB -0.212 30.205 30.300 0.195 0.000 0.873 67 R HN 0.181 nan 8.270 nan 0.000 0.467 68 D N 0.529 120.877 120.400 -0.087 0.000 2.398 68 D HA 0.081 4.721 4.640 -0.000 0.000 0.210 68 D C -0.197 176.050 176.300 -0.087 0.000 1.094 68 D CA 0.043 54.002 54.000 -0.069 0.000 0.839 68 D CB 0.403 41.152 40.800 -0.085 0.000 0.963 68 D HN 0.195 nan 8.370 nan 0.000 0.506 69 R N 0.738 121.169 120.500 -0.115 0.000 2.234 69 R HA 0.465 4.805 4.340 -0.000 0.000 0.324 69 R C 1.018 177.351 176.300 0.055 0.000 1.054 69 R CA -0.230 55.835 56.100 -0.058 0.000 0.912 69 R CB 1.433 31.681 30.300 -0.086 0.000 1.030 69 R HN -0.119 nan 8.270 nan 0.000 0.455 70 A N 3.682 126.519 122.820 0.028 0.000 1.940 70 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 70 A C 1.748 179.358 177.584 0.043 0.000 1.176 70 A CA 1.472 53.530 52.037 0.035 0.000 0.631 70 A CB -0.238 18.767 19.000 0.007 0.000 0.814 70 A HN 0.852 nan 8.150 nan 0.000 0.446 71 E N -1.790 118.431 120.200 0.035 0.000 2.516 71 E HA -0.177 4.173 4.350 -0.000 0.000 0.199 71 E C 0.724 177.229 176.600 -0.157 0.000 1.069 71 E CA 0.628 56.992 56.400 -0.060 0.000 0.876 71 E CB -0.318 29.331 29.700 -0.085 0.000 0.843 71 E HN 0.868 nan 8.360 nan 0.000 0.530 72 W N -0.055 121.244 121.300 -0.002 0.000 2.870 72 W HA 0.518 5.178 4.660 -0.000 0.000 0.358 72 W C 1.988 178.569 176.519 0.104 0.000 1.043 72 W CA 0.119 57.494 57.345 0.049 0.000 1.692 72 W CB 0.641 30.085 29.460 -0.027 0.000 1.100 72 W HN 0.124 nan 8.180 nan 0.000 0.557 73 A N 0.822 123.777 122.820 0.224 0.000 2.019 73 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 73 A C 1.849 179.522 177.584 0.149 0.000 1.164 73 A CA 2.056 54.199 52.037 0.177 0.000 0.644 73 A CB -0.628 18.432 19.000 0.101 0.000 0.805 73 A HN 0.410 nan 8.150 nan 0.000 0.449 74 D N -0.956 119.510 120.400 0.110 0.000 2.348 74 D HA -0.008 4.632 4.640 -0.000 0.000 0.216 74 D C 0.662 177.018 176.300 0.094 0.000 0.970 74 D CA 0.368 54.411 54.000 0.071 0.000 0.889 74 D CB -0.018 40.793 40.800 0.019 0.000 0.912 74 D HN 0.484 nan 8.370 nan 0.000 0.524 75 I N 1.273 121.949 120.570 0.177 0.000 2.465 75 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 75 I C -1.116 175.100 176.117 0.164 0.000 1.014 75 I CA -0.823 60.580 61.300 0.172 0.000 1.093 75 I CB 1.936 40.077 38.000 0.234 0.000 1.267 75 I HN -0.291 nan 8.210 nan 0.000 0.431 76 D N 9.235 129.659 120.400 0.040 0.000 2.308 76 D HA 0.286 4.926 4.640 -0.000 0.000 0.251 76 D C -2.216 173.951 176.300 -0.221 0.000 1.127 76 D CA -0.793 53.177 54.000 -0.050 0.000 0.876 76 D CB 1.106 41.883 40.800 -0.038 0.000 1.176 76 D HN 0.358 nan 8.370 nan 0.000 0.446 77 P HA 0.069 nan 4.420 nan 0.000 0.272 77 P C -0.495 176.613 177.300 -0.320 0.000 1.223 77 P CA -0.391 62.300 63.100 -0.681 0.000 0.784 77 P CB 1.021 32.202 31.700 -0.865 0.000 0.923 78 V N 4.614 124.366 119.914 -0.270 0.000 2.313 78 V HA 0.248 4.368 4.120 -0.000 0.000 0.278 78 V C -1.811 174.217 176.094 -0.110 0.000 1.017 78 V CA -1.914 60.293 62.300 -0.155 0.000 0.823 78 V CB 1.136 32.877 31.823 -0.138 0.000 1.010 78 V HN 0.597 nan 8.190 nan 0.000 0.443 79 P HA 0.078 nan 4.420 nan 0.000 0.272 79 P C -0.696 176.597 177.300 -0.012 0.000 1.223 79 P CA -0.315 62.766 63.100 -0.031 0.000 0.784 79 P CB 0.938 32.631 31.700 -0.012 0.000 0.923 80 Q N 2.088 121.896 119.800 0.013 0.000 2.288 80 Q HA 0.106 4.446 4.340 -0.000 0.000 0.258 80 Q C -0.418 175.605 176.000 0.039 0.000 0.957 80 Q CA -0.379 55.441 55.803 0.028 0.000 0.919 80 Q CB 0.118 28.884 28.738 0.047 0.000 1.185 80 Q HN 0.261 nan 8.270 nan 0.000 0.408 81 N N 3.646 122.363 118.700 0.027 0.000 2.462 81 N HA 0.075 4.815 4.740 -0.000 0.000 0.242 81 N C -0.861 174.668 175.510 0.033 0.000 1.010 81 N CA -0.229 52.837 53.050 0.026 0.000 0.939 81 N CB 1.015 39.510 38.487 0.013 0.000 1.127 81 N HN 0.535 nan 8.380 nan 0.000 0.509 82 D N 2.741 123.164 120.400 0.039 0.000 2.349 82 D HA 0.215 4.855 4.640 -0.000 0.000 0.214 82 D C 0.686 176.999 176.300 0.022 0.000 1.063 82 D CA 0.586 54.607 54.000 0.036 0.000 0.847 82 D CB -0.105 40.721 40.800 0.043 0.000 0.933 82 D HN 0.794 nan 8.370 nan 0.000 0.513 83 G N 1.907 110.717 108.800 0.018 0.000 2.746 83 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.685 83 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.685 83 G C -1.681 173.225 174.900 0.010 0.000 1.350 83 G CA -0.336 44.771 45.100 0.012 0.000 0.837 83 G HN -0.061 nan 8.290 nan 0.000 0.564 84 P HA -0.015 nan 4.420 nan 0.000 0.217 84 P C 0.375 177.676 177.300 0.003 0.000 1.151 84 P CA 1.141 64.245 63.100 0.005 0.000 0.828 84 P CB 0.099 31.801 31.700 0.004 0.000 0.788 85 N N 0.762 119.463 118.700 0.002 0.000 2.904 85 N HA 0.296 5.036 4.740 -0.000 0.000 0.257 85 N C -2.522 172.986 175.510 -0.003 0.000 1.363 85 N CA -1.160 51.889 53.050 -0.002 0.000 0.856 85 N CB 0.469 38.955 38.487 -0.002 0.000 1.166 85 N HN 0.152 nan 8.380 nan 0.000 0.499 86 P HA 0.023 nan 4.420 nan 0.000 0.267 86 P C -0.087 177.204 177.300 -0.015 0.000 1.201 86 P CA -0.199 62.896 63.100 -0.007 0.000 0.775 86 P CB 0.748 32.442 31.700 -0.010 0.000 0.854 87 V N -0.997 118.908 119.914 -0.016 0.000 3.040 87 V HA 0.501 4.621 4.120 -0.000 0.000 0.312 87 V C 0.453 176.529 176.094 -0.031 0.000 1.115 87 V CA -0.938 61.349 62.300 -0.021 0.000 0.998 87 V CB 1.550 33.365 31.823 -0.014 0.000 1.042 87 V HN 0.625 nan 8.190 nan 0.000 0.433 88 V N -1.374 118.517 119.914 -0.039 0.000 4.931 88 V HA -0.252 3.868 4.120 -0.000 0.000 0.254 88 V C 0.316 176.362 176.094 -0.080 0.000 0.620 88 V CA 1.703 63.971 62.300 -0.053 0.000 0.715 88 V CB -2.461 29.341 31.823 -0.036 0.000 0.589 88 V HN 1.514 nan 8.190 nan 0.000 0.982 89 Q N 0.746 120.490 119.800 -0.093 0.000 2.296 89 Q HA 0.589 4.929 4.340 -0.000 0.000 0.263 89 Q C 0.054 175.908 176.000 -0.243 0.000 1.026 89 Q CA -0.638 55.083 55.803 -0.137 0.000 0.912 89 Q CB 0.843 29.523 28.738 -0.097 0.000 1.198 89 Q HN 0.857 nan 8.270 nan 0.000 0.407 90 I N 5.023 125.338 120.570 -0.425 0.000 2.371 90 I HA 0.102 4.272 4.170 -0.000 0.000 0.290 90 I C 0.118 175.730 176.117 -0.842 0.000 1.028 90 I CA -0.644 60.270 61.300 -0.643 0.000 1.345 90 I CB 0.917 38.422 38.000 -0.825 0.000 1.407 90 I HN 0.572 nan 8.210 nan 0.000 0.501 91 I N 7.903 128.181 120.570 -0.486 0.000 2.270 91 I HA 0.070 4.240 4.170 -0.000 0.000 0.300 91 I C 0.141 176.083 176.117 -0.290 0.000 1.186 91 I CA -0.186 60.922 61.300 -0.321 0.000 1.431 91 I CB -1.587 36.314 38.000 -0.165 0.000 1.485 91 I HN 0.400 nan 8.210 nan 0.000 0.650 92 Y N 2.793 123.017 120.300 -0.128 0.000 2.683 92 Y HA 0.018 4.567 4.550 -0.000 0.000 0.340 92 Y C 1.691 177.571 175.900 -0.034 0.000 1.245 92 Y CA -0.102 57.899 58.100 -0.164 0.000 1.485 92 Y CB 0.339 38.755 38.460 -0.074 0.000 1.328 92 Y HN 0.580 nan 8.280 nan 0.000 0.603 93 S N 0.045 115.845 115.700 0.167 0.000 2.600 93 S HA -0.029 4.441 4.470 -0.000 0.000 0.265 93 S C 0.798 175.526 174.600 0.214 0.000 1.325 93 S CA -0.309 57.983 58.200 0.154 0.000 1.002 93 S CB 0.986 64.273 63.200 0.144 0.000 0.921 93 S HN 0.814 nan 8.310 nan 0.000 0.554 94 D N 0.507 121.004 120.400 0.161 0.000 2.144 94 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 94 D C 1.742 178.154 176.300 0.187 0.000 0.984 94 D CA 1.439 55.535 54.000 0.160 0.000 0.834 94 D CB -0.076 40.795 40.800 0.120 0.000 0.955 94 D HN 0.590 nan 8.370 nan 0.000 0.465 95 K N -0.682 119.830 120.400 0.188 0.000 2.057 95 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 95 K C 2.196 178.918 176.600 0.202 0.000 1.050 95 K CA 0.660 57.063 56.287 0.194 0.000 0.935 95 K CB -0.415 32.165 32.500 0.134 0.000 0.715 95 K HN 0.248 nan 8.250 nan 0.000 0.439 96 F N 2.158 122.166 119.950 0.097 0.000 2.075 96 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 96 F C 2.737 178.593 175.800 0.093 0.000 1.113 96 F CA 1.496 59.562 58.000 0.109 0.000 1.218 96 F CB -0.073 38.995 39.000 0.112 0.000 0.984 96 F HN -0.121 nan 8.300 nan 0.000 0.472 97 R N 0.326 121.050 120.500 0.372 0.000 2.091 97 R HA -0.230 4.109 4.340 -0.000 0.000 0.238 97 R C 2.028 178.398 176.300 0.116 0.000 1.136 97 R CA 2.147 58.359 56.100 0.186 0.000 0.959 97 R CB -0.782 29.633 30.300 0.192 0.000 0.856 97 R HN 0.457 nan 8.270 nan 0.000 0.437 98 D N -0.491 119.992 120.400 0.137 0.000 2.106 98 D HA -0.167 4.473 4.640 -0.000 0.000 0.191 98 D C 1.835 178.178 176.300 0.071 0.000 0.997 98 D CA 1.864 55.952 54.000 0.147 0.000 0.834 98 D CB 0.008 40.906 40.800 0.164 0.000 0.956 98 D HN 0.089 nan 8.370 nan 0.000 0.448 99 V N -0.438 119.431 119.914 -0.074 0.000 2.295 99 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 99 V C 2.018 177.839 176.094 -0.455 0.000 1.049 99 V CA 1.742 63.810 62.300 -0.387 0.000 1.024 99 V CB -0.768 30.775 31.823 -0.467 0.000 0.648 99 V HN 0.343 nan 8.190 nan 0.000 0.447 100 Y N 0.044 120.168 120.300 -0.293 0.000 2.439 100 Y HA -0.137 4.412 4.550 -0.000 0.000 0.292 100 Y C 2.364 178.200 175.900 -0.108 0.000 1.130 100 Y CA 1.319 59.288 58.100 -0.218 0.000 1.254 100 Y CB -0.210 38.047 38.460 -0.339 0.000 1.000 100 Y HN 0.310 nan 8.280 nan 0.000 0.554 101 D N -1.271 119.122 120.400 -0.011 0.000 2.144 101 D HA -0.169 4.470 4.640 -0.000 0.000 0.200 101 D C 1.607 177.764 176.300 -0.238 0.000 0.978 101 D CA 1.420 55.362 54.000 -0.096 0.000 0.833 101 D CB -0.319 40.424 40.800 -0.095 0.000 0.961 101 D HN 0.340 nan 8.370 nan 0.000 0.470 102 Y N -0.715 119.446 120.300 -0.232 0.000 2.337 102 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 102 Y C 1.983 177.714 175.900 -0.281 0.000 1.123 102 Y CA 0.254 58.171 58.100 -0.305 0.000 1.201 102 Y CB -0.277 37.812 38.460 -0.619 0.000 1.011 102 Y HN -0.076 nan 8.280 nan 0.000 0.545 103 F N 1.020 120.775 119.950 -0.326 0.000 2.102 103 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 103 F C 2.216 177.868 175.800 -0.246 0.000 1.105 103 F CA 1.519 59.318 58.000 -0.336 0.000 1.239 103 F CB -0.355 38.341 39.000 -0.506 0.000 0.991 103 F HN -0.193 nan 8.300 nan 0.000 0.474 104 R N 0.138 120.473 120.500 -0.274 0.000 2.127 104 R HA -0.148 4.191 4.340 -0.000 0.000 0.238 104 R C 2.427 178.527 176.300 -0.334 0.000 1.134 104 R CA 1.157 57.066 56.100 -0.319 0.000 0.975 104 R CB -0.779 29.448 30.300 -0.122 0.000 0.865 104 R HN 0.429 nan 8.270 nan 0.000 0.447 105 A N 0.402 123.063 122.820 -0.265 0.000 1.873 105 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 105 A C 2.248 179.731 177.584 -0.169 0.000 1.186 105 A CA 1.399 53.322 52.037 -0.189 0.000 0.616 105 A CB -0.712 18.192 19.000 -0.160 0.000 0.823 105 A HN 0.217 nan 8.150 nan 0.000 0.442 106 V N -0.466 119.344 119.914 -0.173 0.000 2.427 106 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 106 V C 2.317 178.185 176.094 -0.376 0.000 1.051 106 V CA 2.195 64.420 62.300 -0.126 0.000 1.048 106 V CB -0.329 31.523 31.823 0.049 0.000 0.666 106 V HN 0.524 nan 8.190 nan 0.000 0.456 107 L N 0.366 121.129 121.223 -0.767 0.000 2.027 107 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 107 L C 2.554 179.160 176.870 -0.440 0.000 1.074 107 L CA 2.718 56.994 54.840 -0.940 0.000 0.745 107 L CB -0.934 40.443 42.059 -1.137 0.000 0.898 107 L HN 0.530 nan 8.230 nan 0.000 0.433 108 Q N -0.754 118.850 119.800 -0.326 0.000 2.226 108 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 108 Q C 2.274 178.207 176.000 -0.112 0.000 0.975 108 Q CA 1.572 57.269 55.803 -0.178 0.000 0.866 108 Q CB -0.086 28.562 28.738 -0.150 0.000 0.915 108 Q HN 0.482 nan 8.270 nan 0.000 0.440 109 R N 0.058 120.492 120.500 -0.110 0.000 2.280 109 R HA -0.047 4.293 4.340 -0.000 0.000 0.195 109 R C -0.260 176.039 176.300 -0.001 0.000 0.935 109 R CA 0.755 56.829 56.100 -0.042 0.000 1.033 109 R CB 0.364 30.650 30.300 -0.024 0.000 0.964 109 R HN 0.224 nan 8.270 nan 0.000 0.489 110 D N 1.655 122.049 120.400 -0.009 0.000 2.689 110 D HA -0.221 4.419 4.640 -0.000 0.000 0.237 110 D C -0.886 175.527 176.300 0.190 0.000 1.148 110 D CA 0.825 54.903 54.000 0.129 0.000 0.656 110 D CB -0.826 40.042 40.800 0.113 0.000 1.050 110 D HN 0.497 nan 8.370 nan 0.000 0.426 111 E N 0.864 121.186 120.200 0.203 0.000 2.129 111 E HA 0.072 4.422 4.350 -0.000 0.000 0.283 111 E C -0.078 176.647 176.600 0.208 0.000 1.080 111 E CA -0.580 55.917 56.400 0.162 0.000 0.867 111 E CB 0.421 30.191 29.700 0.116 0.000 1.056 111 E HN 0.093 nan 8.360 nan 0.000 0.404 112 R N 3.326 123.878 120.500 0.087 0.000 3.235 112 R HA 0.150 4.490 4.340 -0.000 0.000 0.232 112 R C -0.426 175.861 176.300 -0.021 0.000 1.475 112 R CA -0.194 55.901 56.100 -0.008 0.000 1.405 112 R CB -0.183 30.086 30.300 -0.051 0.000 1.266 112 R HN 0.454 nan 8.270 nan 0.000 0.650 113 S N -1.353 114.354 115.700 0.013 0.000 2.671 113 S HA 0.281 4.751 4.470 -0.000 0.000 0.299 113 S C 0.905 175.515 174.600 0.016 0.000 1.116 113 S CA -0.833 57.359 58.200 -0.014 0.000 0.912 113 S CB 2.398 65.575 63.200 -0.038 0.000 1.130 113 S HN 0.258 nan 8.310 nan 0.000 0.501 114 E N 1.384 121.574 120.200 -0.017 0.000 2.106 114 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 114 E C 2.122 178.777 176.600 0.091 0.000 0.984 114 E CA 1.915 58.328 56.400 0.022 0.000 0.806 114 E CB -0.286 29.390 29.700 -0.040 0.000 0.750 114 E HN 0.744 nan 8.360 nan 0.000 0.458 115 R N 0.124 120.636 120.500 0.019 0.000 2.092 115 R HA 0.039 4.378 4.340 -0.000 0.000 0.231 115 R C 2.291 178.808 176.300 0.361 0.000 1.119 115 R CA 1.390 57.545 56.100 0.092 0.000 0.970 115 R CB -0.680 29.422 30.300 -0.329 0.000 0.864 115 R HN 0.133 nan 8.270 nan 0.000 0.440 116 A N 1.094 124.087 122.820 0.289 0.000 1.933 116 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 116 A C 1.999 179.777 177.584 0.323 0.000 1.175 116 A CA 1.091 53.377 52.037 0.416 0.000 0.628 116 A CB -0.695 18.539 19.000 0.390 0.000 0.814 116 A HN 0.471 nan 8.150 nan 0.000 0.444 117 F N 0.951 120.946 119.950 0.075 0.000 2.102 117 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 117 F C 2.095 177.870 175.800 -0.042 0.000 1.105 117 F CA 2.121 60.109 58.000 -0.020 0.000 1.239 117 F CB -0.245 38.707 39.000 -0.080 0.000 0.991 117 F HN 0.139 nan 8.300 nan 0.000 0.474 118 K N -0.210 120.160 120.400 -0.049 0.000 2.147 118 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 118 K C 1.949 178.487 176.600 -0.103 0.000 1.049 118 K CA 1.387 57.574 56.287 -0.167 0.000 0.936 118 K CB -0.542 31.944 32.500 -0.024 0.000 0.722 118 K HN 0.286 nan 8.250 nan 0.000 0.446 119 L N 1.621 122.870 121.223 0.043 0.000 2.046 119 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 119 L C 2.345 179.069 176.870 -0.244 0.000 1.077 119 L CA 2.197 56.987 54.840 -0.082 0.000 0.747 119 L CB -1.072 40.928 42.059 -0.098 0.000 0.896 119 L HN 0.308 nan 8.230 nan 0.000 0.432 120 T N -2.596 111.830 114.554 -0.213 0.000 2.803 120 T HA -0.290 4.060 4.350 -0.000 0.000 0.269 120 T C 2.073 176.478 174.700 -0.492 0.000 1.052 120 T CA 1.449 63.341 62.100 -0.347 0.000 1.136 120 T CB -0.654 68.066 68.868 -0.247 0.000 0.864 120 T HN 0.501 nan 8.240 nan 0.000 0.467 121 R N 1.240 121.450 120.500 -0.483 0.000 2.081 121 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 121 R C 1.753 177.881 176.300 -0.286 0.000 1.131 121 R CA 1.949 57.789 56.100 -0.432 0.000 0.960 121 R CB -0.401 29.631 30.300 -0.447 0.000 0.856 121 R HN 0.373 nan 8.270 nan 0.000 0.436 122 D N 0.289 120.541 120.400 -0.247 0.000 2.149 122 D HA -0.062 4.578 4.640 -0.000 0.000 0.201 122 D C 1.768 177.872 176.300 -0.327 0.000 0.972 122 D CA 1.354 55.237 54.000 -0.196 0.000 0.835 122 D CB -0.203 40.563 40.800 -0.057 0.000 0.966 122 D HN 0.379 nan 8.370 nan 0.000 0.476 123 A N 0.918 123.428 122.820 -0.515 0.000 1.902 123 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 123 A C 2.356 179.672 177.584 -0.447 0.000 1.181 123 A CA 0.880 52.472 52.037 -0.742 0.000 0.623 123 A CB -0.704 17.613 19.000 -1.137 0.000 0.818 123 A HN 0.179 nan 8.150 nan 0.000 0.443 124 I N -0.715 119.581 120.570 -0.457 0.000 2.226 124 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 124 I C 2.570 178.595 176.117 -0.154 0.000 1.100 124 I CA 1.794 62.864 61.300 -0.384 0.000 1.374 124 I CB -0.309 37.322 38.000 -0.616 0.000 1.057 124 I HN 0.552 nan 8.210 nan 0.000 0.413 125 E N 1.318 121.436 120.200 -0.137 0.000 2.118 125 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 125 E C 2.323 178.914 176.600 -0.015 0.000 0.992 125 E CA 1.159 57.525 56.400 -0.056 0.000 0.804 125 E CB -0.012 29.648 29.700 -0.066 0.000 0.741 125 E HN 0.464 nan 8.360 nan 0.000 0.458 126 L N 0.011 121.211 121.223 -0.039 0.000 2.093 126 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 126 L C 0.954 177.945 176.870 0.202 0.000 1.085 126 L CA 0.662 55.544 54.840 0.070 0.000 0.755 126 L CB 0.010 42.015 42.059 -0.091 0.000 0.904 126 L HN 0.119 nan 8.230 nan 0.000 0.435 127 N N -0.925 117.851 118.700 0.127 0.000 2.701 127 N HA 0.222 4.962 4.740 -0.000 0.000 0.258 127 N C 0.118 175.704 175.510 0.128 0.000 1.262 127 N CA 0.172 53.323 53.050 0.168 0.000 0.780 127 N CB 1.234 39.842 38.487 0.202 0.000 1.380 127 N HN 0.018 nan 8.380 nan 0.000 0.548 128 A N 1.843 124.761 122.820 0.163 0.000 2.216 128 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 128 A C 1.651 179.491 177.584 0.427 0.000 1.160 128 A CA 1.376 53.593 52.037 0.299 0.000 0.725 128 A CB -0.197 18.964 19.000 0.269 0.000 0.784 128 A HN 0.633 nan 8.150 nan 0.000 0.472 129 A N -0.400 122.586 122.820 0.277 0.000 2.275 129 A HA 0.110 4.430 4.320 -0.000 0.000 0.212 129 A C 0.944 178.696 177.584 0.281 0.000 1.201 129 A CA -0.165 52.034 52.037 0.270 0.000 0.843 129 A CB -0.326 18.795 19.000 0.201 0.000 0.873 129 A HN 0.390 nan 8.150 nan 0.000 0.492 130 N N 1.049 119.881 118.700 0.220 0.000 2.421 130 N HA 0.058 4.798 4.740 -0.000 0.000 0.260 130 N C 0.718 176.321 175.510 0.156 0.000 1.173 130 N CA -0.184 52.896 53.050 0.051 0.000 0.960 130 N CB 0.141 38.598 38.487 -0.049 0.000 1.273 130 N HN 0.534 nan 8.380 nan 0.000 0.497 131 Y N 1.919 122.385 120.300 0.277 0.000 2.333 131 Y HA -0.045 4.505 4.550 -0.000 0.000 0.290 131 Y C 1.807 177.911 175.900 0.339 0.000 1.144 131 Y CA 0.755 59.047 58.100 0.321 0.000 1.228 131 Y CB -0.799 37.769 38.460 0.179 0.000 0.985 131 Y HN 0.211 nan 8.280 nan 0.000 0.542 132 T N 0.520 114.945 114.554 -0.215 0.000 2.777 132 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 132 T C 2.048 176.929 174.700 0.301 0.000 1.040 132 T CA 1.682 63.838 62.100 0.093 0.000 1.141 132 T CB -0.618 68.229 68.868 -0.035 0.000 0.868 132 T HN 0.286 nan 8.240 nan 0.000 0.444 133 V N -0.162 119.779 119.914 0.044 0.000 2.295 133 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 133 V C 2.091 178.225 176.094 0.066 0.000 1.049 133 V CA 1.438 63.647 62.300 -0.152 0.000 1.024 133 V CB -0.777 30.648 31.823 -0.664 0.000 0.648 133 V HN 0.589 nan 8.190 nan 0.000 0.447 134 W N -0.311 121.048 121.300 0.098 0.000 2.338 134 W HA -0.217 4.443 4.660 -0.000 0.000 0.304 134 W C 2.655 179.322 176.519 0.246 0.000 1.212 134 W CA 1.888 59.300 57.345 0.111 0.000 1.264 134 W CB -0.529 29.001 29.460 0.117 0.000 1.142 134 W HN 0.385 nan 8.180 nan 0.000 0.512 135 H N -1.434 117.931 119.070 0.491 0.000 2.321 135 H HA -0.250 4.306 4.556 -0.000 0.000 0.300 135 H C 1.974 177.556 175.328 0.423 0.000 1.087 135 H CA 2.235 58.544 56.048 0.435 0.000 1.319 135 H CB -0.722 29.282 29.762 0.402 0.000 1.379 135 H HN 0.086 nan 8.280 nan 0.000 0.501 136 F N 1.184 121.302 119.950 0.280 0.000 2.171 136 F HA -0.065 4.461 4.527 -0.000 0.000 0.300 136 F C 2.757 178.660 175.800 0.172 0.000 1.090 136 F CA 1.572 59.696 58.000 0.205 0.000 1.293 136 F CB -0.392 38.801 39.000 0.322 0.000 1.013 136 F HN 0.089 nan 8.300 nan 0.000 0.486 137 R N 0.178 120.804 120.500 0.211 0.000 2.096 137 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 137 R C 2.403 178.839 176.300 0.226 0.000 1.127 137 R CA 1.497 57.689 56.100 0.152 0.000 0.968 137 R CB -0.188 30.144 30.300 0.053 0.000 0.861 137 R HN 0.233 nan 8.270 nan 0.000 0.440 138 R N -0.358 120.303 120.500 0.268 0.000 2.115 138 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 138 R C 2.222 178.631 176.300 0.181 0.000 1.111 138 R CA 1.231 57.532 56.100 0.335 0.000 0.976 138 R CB -0.108 30.381 30.300 0.316 0.000 0.870 138 R HN 0.116 nan 8.270 nan 0.000 0.445 139 V N 1.461 121.349 119.914 -0.044 0.000 2.427 139 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 139 V C 2.226 178.207 176.094 -0.189 0.000 1.051 139 V CA 1.554 63.772 62.300 -0.136 0.000 1.048 139 V CB -0.322 31.372 31.823 -0.216 0.000 0.666 139 V HN 0.281 nan 8.190 nan 0.000 0.456 140 L N -0.993 120.080 121.223 -0.249 0.000 2.109 140 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 140 L C 2.379 179.127 176.870 -0.203 0.000 1.086 140 L CA 1.225 55.924 54.840 -0.234 0.000 0.760 140 L CB -0.487 41.485 42.059 -0.145 0.000 0.910 140 L HN 0.280 nan 8.230 nan 0.000 0.437 141 L N -0.022 121.156 121.223 -0.075 0.000 2.042 141 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 141 L C 2.723 179.485 176.870 -0.179 0.000 1.076 141 L CA 1.525 56.304 54.840 -0.102 0.000 0.749 141 L CB -0.443 41.743 42.059 0.211 0.000 0.893 141 L HN 0.271 nan 8.230 nan 0.000 0.432 142 K N -0.410 119.880 120.400 -0.183 0.000 1.991 142 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 142 K C 2.303 178.770 176.600 -0.221 0.000 1.045 142 K CA 1.511 57.628 56.287 -0.284 0.000 0.937 142 K CB 0.027 32.349 32.500 -0.297 0.000 0.720 142 K HN 0.089 nan 8.250 nan 0.000 0.438 143 S N 1.395 116.985 115.700 -0.184 0.000 2.365 143 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 143 S C 1.715 176.215 174.600 -0.167 0.000 1.039 143 S CA 1.381 59.487 58.200 -0.157 0.000 1.033 143 S CB -0.219 62.894 63.200 -0.145 0.000 0.887 143 S HN 0.289 nan 8.310 nan 0.000 0.447 144 L N 0.918 122.015 121.223 -0.211 0.000 2.599 144 L HA 0.139 4.479 4.340 -0.000 0.000 0.230 144 L C 0.330 177.068 176.870 -0.220 0.000 1.141 144 L CA 0.149 54.854 54.840 -0.225 0.000 0.877 144 L CB -0.557 41.314 42.059 -0.313 0.000 1.009 144 L HN 0.303 nan 8.230 nan 0.000 0.447 145 Q N 0.636 120.309 119.800 -0.212 0.000 2.435 145 Q HA -0.171 4.169 4.340 -0.000 0.000 0.312 145 Q C -0.354 175.533 176.000 -0.187 0.000 1.333 145 Q CA 0.467 56.157 55.803 -0.189 0.000 0.883 145 Q CB -0.923 27.727 28.738 -0.147 0.000 1.170 145 Q HN 0.317 nan 8.270 nan 0.000 0.443 146 K N 1.213 121.469 120.400 -0.239 0.000 2.319 146 K HA 0.050 4.370 4.320 -0.000 0.000 0.265 146 K C 0.220 176.748 176.600 -0.120 0.000 1.000 146 K CA -0.229 55.913 56.287 -0.241 0.000 0.943 146 K CB 0.372 32.626 32.500 -0.410 0.000 0.950 146 K HN 0.161 nan 8.250 nan 0.000 0.485 147 D N 2.791 123.148 120.400 -0.071 0.000 2.363 147 D HA -0.034 4.606 4.640 -0.000 0.000 0.263 147 D C 0.978 177.286 176.300 0.014 0.000 1.258 147 D CA 0.114 54.109 54.000 -0.008 0.000 0.907 147 D CB 0.565 41.384 40.800 0.030 0.000 1.107 147 D HN 0.339 nan 8.370 nan 0.000 0.495 148 L N 3.952 125.160 121.223 -0.025 0.000 2.217 148 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 148 L C 2.080 178.904 176.870 -0.076 0.000 1.107 148 L CA 0.498 55.317 54.840 -0.036 0.000 0.783 148 L CB -0.316 41.704 42.059 -0.064 0.000 0.919 148 L HN 0.529 nan 8.230 nan 0.000 0.442 149 H N -0.548 118.552 119.070 0.049 0.000 2.462 149 H HA -0.121 4.434 4.556 -0.000 0.000 0.292 149 H C 2.025 177.379 175.328 0.043 0.000 1.049 149 H CA 1.136 57.204 56.048 0.033 0.000 1.334 149 H CB 0.306 30.079 29.762 0.019 0.000 1.404 149 H HN 0.298 nan 8.280 nan 0.000 0.544 150 E N 1.057 121.352 120.200 0.159 0.000 2.072 150 E HA -0.135 4.214 4.350 -0.000 0.000 0.190 150 E C 2.202 178.898 176.600 0.160 0.000 0.982 150 E CA 0.892 57.372 56.400 0.134 0.000 0.803 150 E CB 0.183 29.948 29.700 0.108 0.000 0.755 150 E HN 0.270 nan 8.360 nan 0.000 0.453 151 E N -0.570 119.732 120.200 0.170 0.000 2.150 151 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 151 E C 1.743 178.477 176.600 0.223 0.000 0.985 151 E CA 1.080 57.635 56.400 0.257 0.000 0.814 151 E CB -0.086 29.774 29.700 0.267 0.000 0.752 151 E HN 0.208 nan 8.360 nan 0.000 0.466 152 M N 0.586 120.246 119.600 0.100 0.000 2.159 152 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 152 M C 1.533 177.816 176.300 -0.029 0.000 1.063 152 M CA 1.150 56.450 55.300 0.000 0.000 1.110 152 M CB -0.913 31.679 32.600 -0.012 0.000 1.374 152 M HN 0.166 nan 8.290 nan 0.000 0.411 153 N N -0.335 118.391 118.700 0.044 0.000 2.166 153 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 153 N C 1.643 177.181 175.510 0.047 0.000 1.019 153 N CA 1.115 54.181 53.050 0.027 0.000 0.856 153 N CB -0.669 37.858 38.487 0.067 0.000 0.993 153 N HN 0.424 nan 8.380 nan 0.000 0.426 154 Y N 1.342 121.641 120.300 -0.002 0.000 2.133 154 Y HA -0.086 4.464 4.550 -0.000 0.000 0.287 154 Y C 2.249 178.142 175.900 -0.012 0.000 1.134 154 Y CA 0.975 59.079 58.100 0.007 0.000 1.133 154 Y CB -0.581 37.906 38.460 0.044 0.000 0.987 154 Y HN -0.095 nan 8.280 nan 0.000 0.502 155 I N 0.163 120.618 120.570 -0.190 0.000 2.361 155 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 155 I C 2.160 178.024 176.117 -0.422 0.000 1.133 155 I CA 1.901 63.001 61.300 -0.332 0.000 1.413 155 I CB -0.825 37.099 38.000 -0.126 0.000 1.073 155 I HN 0.314 nan 8.210 nan 0.000 0.424 156 T N 0.619 114.932 114.554 -0.401 0.000 2.708 156 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 156 T C 1.963 176.553 174.700 -0.185 0.000 1.037 156 T CA 1.597 63.419 62.100 -0.464 0.000 1.146 156 T CB -0.548 68.100 68.868 -0.367 0.000 0.865 156 T HN 0.500 nan 8.240 nan 0.000 0.435 157 A N 1.379 124.101 122.820 -0.163 0.000 1.902 157 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 157 A C 2.224 179.720 177.584 -0.146 0.000 1.181 157 A CA 1.039 53.014 52.037 -0.102 0.000 0.623 157 A CB -0.599 18.358 19.000 -0.072 0.000 0.818 157 A HN 0.385 nan 8.150 nan 0.000 0.443 158 I N 0.135 120.535 120.570 -0.283 0.000 2.179 158 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 158 I C 2.437 178.440 176.117 -0.190 0.000 1.088 158 I CA 1.305 62.448 61.300 -0.262 0.000 1.357 158 I CB -1.239 36.526 38.000 -0.392 0.000 1.051 158 I HN 0.305 nan 8.210 nan 0.000 0.409 159 I N 0.476 120.894 120.570 -0.254 0.000 2.286 159 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 159 I C 2.495 178.554 176.117 -0.096 0.000 1.115 159 I CA 1.075 62.209 61.300 -0.277 0.000 1.392 159 I CB -0.377 37.337 38.000 -0.477 0.000 1.065 159 I HN 0.234 nan 8.210 nan 0.000 0.418 160 E N 0.891 121.082 120.200 -0.016 0.000 2.118 160 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 160 E C 2.003 178.600 176.600 -0.005 0.000 0.992 160 E CA 1.368 57.773 56.400 0.009 0.000 0.804 160 E CB -0.148 29.574 29.700 0.036 0.000 0.741 160 E HN 0.614 nan 8.360 nan 0.000 0.458 161 E N 0.212 120.400 120.200 -0.020 0.000 2.112 161 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 161 E C 0.473 177.077 176.600 0.007 0.000 0.979 161 E CA 0.513 56.909 56.400 -0.007 0.000 0.814 161 E CB 0.220 29.911 29.700 -0.015 0.000 0.762 161 E HN 0.171 nan 8.360 nan 0.000 0.460 162 Q N 0.320 120.117 119.800 -0.004 0.000 3.300 162 Q HA 0.133 4.473 4.340 -0.000 0.000 0.271 162 Q C -2.164 173.855 176.000 0.030 0.000 0.926 162 Q CA -1.213 54.605 55.803 0.024 0.000 0.788 162 Q CB 1.492 30.249 28.738 0.031 0.000 1.385 162 Q HN 0.108 nan 8.270 nan 0.000 0.424 163 P HA -0.121 nan 4.420 nan 0.000 0.229 163 P C -0.053 177.479 177.300 0.386 0.000 1.160 163 P CA 0.753 63.997 63.100 0.239 0.000 0.777 163 P CB 0.366 32.194 31.700 0.214 0.000 0.814 164 K N 0.993 121.537 120.400 0.239 0.000 2.598 164 K HA 0.220 4.540 4.320 -0.000 0.000 0.226 164 K C 0.066 176.764 176.600 0.164 0.000 1.156 164 K CA -0.235 56.209 56.287 0.263 0.000 1.122 164 K CB -0.013 32.604 32.500 0.196 0.000 1.739 164 K HN 0.014 nan 8.250 nan 0.000 0.472 165 N N 0.707 119.421 118.700 0.024 0.000 2.369 165 N HA 0.091 4.830 4.740 -0.000 0.000 0.287 165 N C -0.068 175.304 175.510 -0.230 0.000 1.067 165 N CA -0.330 52.715 53.050 -0.009 0.000 0.888 165 N CB 0.903 39.407 38.487 0.028 0.000 1.616 165 N HN 0.062 nan 8.380 nan 0.000 0.482 166 Y N 2.104 122.277 120.300 -0.212 0.000 2.200 166 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 166 Y C 2.115 177.927 175.900 -0.147 0.000 1.137 166 Y CA 1.436 59.418 58.100 -0.197 0.000 1.163 166 Y CB 0.192 38.637 38.460 -0.024 0.000 0.988 166 Y HN 0.593 nan 8.280 nan 0.000 0.518 167 Q N -0.223 119.553 119.800 -0.039 0.000 2.124 167 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 167 Q C 2.544 178.117 176.000 -0.711 0.000 0.977 167 Q CA 1.976 57.561 55.803 -0.363 0.000 0.850 167 Q CB -0.839 27.551 28.738 -0.581 0.000 0.901 167 Q HN 0.543 nan 8.270 nan 0.000 0.429 168 V N -3.238 116.292 119.914 -0.640 0.000 2.427 168 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 168 V C 1.608 177.375 176.094 -0.544 0.000 1.051 168 V CA 1.479 63.348 62.300 -0.719 0.000 1.048 168 V CB -1.048 30.462 31.823 -0.522 0.000 0.666 168 V HN 0.350 nan 8.190 nan 0.000 0.456 169 W N 0.040 121.138 121.300 -0.335 0.000 2.418 169 W HA 0.021 4.681 4.660 -0.000 0.000 0.292 169 W C 2.735 179.113 176.519 -0.235 0.000 1.213 169 W CA 1.459 58.630 57.345 -0.290 0.000 1.283 169 W CB -0.520 28.797 29.460 -0.238 0.000 1.119 169 W HN 0.375 nan 8.180 nan 0.000 0.542 170 H N -1.245 117.791 119.070 -0.057 0.000 2.357 170 H HA -0.219 4.337 4.556 -0.000 0.000 0.301 170 H C 2.064 177.284 175.328 -0.180 0.000 1.082 170 H CA 2.153 58.140 56.048 -0.101 0.000 1.342 170 H CB -0.232 29.486 29.762 -0.073 0.000 1.389 170 H HN 0.179 nan 8.280 nan 0.000 0.511 171 H N 0.906 119.695 119.070 -0.469 0.000 2.319 171 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 171 H C 2.749 177.829 175.328 -0.413 0.000 1.092 171 H CA 2.167 57.929 56.048 -0.478 0.000 1.302 171 H CB -0.174 29.295 29.762 -0.487 0.000 1.373 171 H HN 0.209 nan 8.280 nan 0.000 0.497 172 R N 0.235 120.535 120.500 -0.335 0.000 2.081 172 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 172 R C 2.566 178.730 176.300 -0.227 0.000 1.131 172 R CA 1.715 57.623 56.100 -0.318 0.000 0.960 172 R CB -0.186 29.876 30.300 -0.397 0.000 0.856 172 R HN 0.334 nan 8.270 nan 0.000 0.436 173 R N 0.079 120.452 120.500 -0.211 0.000 2.081 173 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 173 R C 2.011 178.076 176.300 -0.391 0.000 1.131 173 R CA 1.723 57.678 56.100 -0.241 0.000 0.960 173 R CB -0.265 29.748 30.300 -0.479 0.000 0.856 173 R HN 0.130 nan 8.270 nan 0.000 0.436 174 V N 1.545 121.090 119.914 -0.616 0.000 2.332 174 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 174 V C 2.404 177.993 176.094 -0.842 0.000 1.055 174 V CA 1.820 63.628 62.300 -0.820 0.000 1.038 174 V CB -0.410 30.761 31.823 -1.087 0.000 0.651 174 V HN 0.349 nan 8.190 nan 0.000 0.450 175 L N -0.583 120.253 121.223 -0.645 0.000 2.017 175 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 175 L C 2.491 179.313 176.870 -0.080 0.000 1.073 175 L CA 1.209 55.843 54.840 -0.343 0.000 0.745 175 L CB -0.749 41.144 42.059 -0.276 0.000 0.894 175 L HN 0.192 nan 8.230 nan 0.000 0.432 176 V N -0.096 119.813 119.914 -0.008 0.000 2.392 176 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 176 V C 2.383 178.653 176.094 0.294 0.000 1.059 176 V CA 1.789 64.182 62.300 0.154 0.000 1.051 176 V CB -0.499 31.514 31.823 0.317 0.000 0.658 176 V HN 0.455 nan 8.190 nan 0.000 0.455 177 E N -1.074 119.300 120.200 0.291 0.000 2.047 177 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 177 E C 2.132 178.935 176.600 0.339 0.000 0.987 177 E CA 1.548 58.158 56.400 0.349 0.000 0.799 177 E CB -0.178 29.639 29.700 0.196 0.000 0.752 177 E HN 0.644 nan 8.360 nan 0.000 0.449 178 W N 0.681 122.029 121.300 0.079 0.000 2.363 178 W HA -0.077 4.583 4.660 -0.000 0.000 0.296 178 W C 1.929 178.462 176.519 0.023 0.000 1.212 178 W CA 0.742 58.104 57.345 0.028 0.000 1.260 178 W CB -0.675 28.768 29.460 -0.028 0.000 1.131 178 W HN 0.118 nan 8.180 nan 0.000 0.530 179 L N -0.340 121.033 121.223 0.250 0.000 2.375 179 L HA 0.083 4.423 4.340 -0.000 0.000 0.215 179 L C 1.229 178.191 176.870 0.154 0.000 1.108 179 L CA 0.303 55.218 54.840 0.124 0.000 0.830 179 L CB -0.417 41.647 42.059 0.008 0.000 0.959 179 L HN -0.185 nan 8.230 nan 0.000 0.457 180 R N 0.998 121.642 120.500 0.241 0.000 3.641 180 R HA -0.201 4.139 4.340 -0.000 0.000 0.286 180 R C -0.430 175.985 176.300 0.192 0.000 1.153 180 R CA 0.769 57.071 56.100 0.338 0.000 0.775 180 R CB -2.156 28.300 30.300 0.259 0.000 1.215 180 R HN 0.379 nan 8.270 nan 0.000 0.474 181 D N -0.023 120.389 120.400 0.020 0.000 2.454 181 D HA 0.293 4.933 4.640 -0.000 0.000 0.247 181 D C -1.582 174.544 176.300 -0.291 0.000 1.129 181 D CA -1.899 52.042 54.000 -0.098 0.000 0.877 181 D CB 1.190 42.011 40.800 0.036 0.000 1.082 181 D HN -0.040 nan 8.370 nan 0.000 0.537 182 P HA 0.055 nan 4.420 nan 0.000 0.268 182 P C 0.876 177.999 177.300 -0.295 0.000 1.329 182 P CA -0.011 62.725 63.100 -0.606 0.000 0.899 182 P CB 0.332 31.303 31.700 -1.214 0.000 1.378 183 S N 0.351 115.939 115.700 -0.188 0.000 2.420 183 S HA -0.215 4.254 4.470 -0.000 0.000 0.237 183 S C 1.820 176.380 174.600 -0.067 0.000 1.023 183 S CA 1.168 59.305 58.200 -0.105 0.000 0.991 183 S CB -0.957 62.205 63.200 -0.064 0.000 0.792 183 S HN 0.269 nan 8.310 nan 0.000 0.488 184 Q N -0.262 119.509 119.800 -0.048 0.000 2.352 184 Q HA 0.153 4.493 4.340 -0.000 0.000 0.212 184 Q C 1.672 177.702 176.000 0.050 0.000 0.888 184 Q CA 0.056 55.858 55.803 -0.003 0.000 0.934 184 Q CB 0.173 28.907 28.738 -0.006 0.000 1.093 184 Q HN 0.481 nan 8.270 nan 0.000 0.523 185 E N 1.345 121.562 120.200 0.028 0.000 2.023 185 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 185 E C 2.020 178.681 176.600 0.102 0.000 1.003 185 E CA 1.090 57.563 56.400 0.122 0.000 0.809 185 E CB -0.352 29.378 29.700 0.049 0.000 0.755 185 E HN 0.353 nan 8.360 nan 0.000 0.449 186 L N 0.705 121.909 121.223 -0.031 0.000 2.079 186 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 186 L C 2.664 179.459 176.870 -0.126 0.000 1.081 186 L CA 1.531 56.299 54.840 -0.119 0.000 0.752 186 L CB -0.439 41.516 42.059 -0.173 0.000 0.896 186 L HN 0.214 nan 8.230 nan 0.000 0.433 187 E N 0.038 120.209 120.200 -0.049 0.000 2.107 187 E HA -0.236 4.113 4.350 -0.000 0.000 0.191 187 E C 2.158 178.765 176.600 0.012 0.000 0.982 187 E CA 0.869 57.249 56.400 -0.033 0.000 0.809 187 E CB -0.058 29.642 29.700 -0.001 0.000 0.756 187 E HN 0.365 nan 8.360 nan 0.000 0.459 188 F N 1.486 121.411 119.950 -0.041 0.000 2.113 188 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 188 F C 1.873 177.675 175.800 0.004 0.000 1.103 188 F CA 1.433 59.421 58.000 -0.020 0.000 1.248 188 F CB -0.264 38.728 39.000 -0.014 0.000 0.999 188 F HN -0.012 nan 8.300 nan 0.000 0.475 189 I N 0.616 121.110 120.570 -0.126 0.000 2.208 189 I HA -0.329 3.840 4.170 -0.000 0.000 0.245 189 I C 2.728 178.666 176.117 -0.298 0.000 1.097 189 I CA 1.301 62.477 61.300 -0.207 0.000 1.363 189 I CB -1.129 36.834 38.000 -0.063 0.000 1.051 189 I HN 0.261 nan 8.210 nan 0.000 0.413 190 A N 0.433 123.103 122.820 -0.249 0.000 1.940 190 A HA -0.326 3.994 4.320 -0.000 0.000 0.219 190 A C 1.978 179.485 177.584 -0.127 0.000 1.176 190 A CA 2.483 54.419 52.037 -0.168 0.000 0.631 190 A CB -0.767 18.135 19.000 -0.163 0.000 0.814 190 A HN 0.501 nan 8.150 nan 0.000 0.446 191 D N -0.600 119.688 120.400 -0.187 0.000 2.117 191 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 191 D C 1.759 177.940 176.300 -0.197 0.000 0.982 191 D CA 1.112 55.014 54.000 -0.163 0.000 0.828 191 D CB -0.080 40.625 40.800 -0.159 0.000 0.967 191 D HN 0.277 nan 8.370 nan 0.000 0.464 192 I N 0.620 120.994 120.570 -0.327 0.000 2.179 192 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 192 I C 2.353 178.384 176.117 -0.143 0.000 1.088 192 I CA 0.957 62.116 61.300 -0.234 0.000 1.357 192 I CB -1.084 36.781 38.000 -0.226 0.000 1.051 192 I HN 0.233 nan 8.210 nan 0.000 0.409 193 L N 0.442 121.553 121.223 -0.188 0.000 2.275 193 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 193 L C 2.075 178.911 176.870 -0.058 0.000 1.119 193 L CA 0.967 55.711 54.840 -0.160 0.000 0.790 193 L CB -0.684 41.213 42.059 -0.270 0.000 0.919 193 L HN 0.317 nan 8.230 nan 0.000 0.443 194 N N -0.137 118.533 118.700 -0.050 0.000 2.396 194 N HA -0.165 4.575 4.740 -0.000 0.000 0.180 194 N C 1.808 177.310 175.510 -0.013 0.000 1.028 194 N CA 1.006 54.045 53.050 -0.017 0.000 0.893 194 N CB 0.203 38.681 38.487 -0.016 0.000 0.967 194 N HN 0.367 nan 8.380 nan 0.000 0.440 195 Q N -1.514 118.272 119.800 -0.023 0.000 2.297 195 Q HA 0.081 4.420 4.340 -0.000 0.000 0.203 195 Q C -0.539 175.467 176.000 0.010 0.000 0.931 195 Q CA 0.599 56.398 55.803 -0.006 0.000 0.885 195 Q CB 0.601 29.332 28.738 -0.011 0.000 0.991 195 Q HN 0.193 nan 8.270 nan 0.000 0.498 196 D N -0.924 119.481 120.400 0.009 0.000 2.323 196 D HA 0.250 4.890 4.640 -0.000 0.000 0.242 196 D C -0.387 175.939 176.300 0.042 0.000 1.347 196 D CA -0.237 53.784 54.000 0.035 0.000 0.988 196 D CB 1.098 41.926 40.800 0.046 0.000 1.314 196 D HN 0.060 nan 8.370 nan 0.000 0.564 197 A N 3.495 126.361 122.820 0.075 0.000 2.259 197 A HA -0.069 4.250 4.320 -0.000 0.000 0.212 197 A C 1.349 179.130 177.584 0.328 0.000 1.178 197 A CA 0.934 53.058 52.037 0.146 0.000 0.734 197 A CB 0.003 19.080 19.000 0.128 0.000 0.774 197 A HN 0.477 nan 8.150 nan 0.000 0.481 198 K N -0.299 120.252 120.400 0.251 0.000 2.447 198 K HA 0.089 4.409 4.320 -0.000 0.000 0.205 198 K C 0.097 176.862 176.600 0.275 0.000 1.059 198 K CA -0.438 56.038 56.287 0.316 0.000 1.065 198 K CB 0.257 32.864 32.500 0.177 0.000 0.885 198 K HN 0.324 nan 8.250 nan 0.000 0.545 199 N N 1.540 120.331 118.700 0.152 0.000 2.386 199 N HA -0.145 4.594 4.740 -0.000 0.000 0.273 199 N C 0.498 176.041 175.510 0.055 0.000 1.331 199 N CA 0.527 53.616 53.050 0.065 0.000 0.891 199 N CB 0.261 38.742 38.487 -0.010 0.000 1.139 199 N HN 0.188 nan 8.380 nan 0.000 0.487 200 Y N 4.962 125.195 120.300 -0.112 0.000 2.128 200 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 200 Y C 2.170 177.853 175.900 -0.362 0.000 1.154 200 Y CA 1.732 59.715 58.100 -0.197 0.000 1.149 200 Y CB -0.032 38.227 38.460 -0.335 0.000 0.976 200 Y HN 0.706 nan 8.280 nan 0.000 0.505 201 H N -0.976 117.931 119.070 -0.271 0.000 2.352 201 H HA -0.139 4.416 4.556 -0.000 0.000 0.299 201 H C 2.333 176.971 175.328 -1.149 0.000 1.097 201 H CA 1.248 56.846 56.048 -0.749 0.000 1.311 201 H CB -0.821 28.232 29.762 -1.181 0.000 1.377 201 H HN 0.496 nan 8.280 nan 0.000 0.504 202 A N 0.796 123.022 122.820 -0.990 0.000 1.877 202 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 202 A C 2.337 179.585 177.584 -0.560 0.000 1.186 202 A CA 1.428 52.888 52.037 -0.963 0.000 0.620 202 A CB -1.209 17.443 19.000 -0.580 0.000 0.822 202 A HN 0.456 nan 8.150 nan 0.000 0.443 203 W N -0.477 120.606 121.300 -0.362 0.000 2.388 203 W HA -0.108 4.552 4.660 -0.000 0.000 0.294 203 W C 2.645 178.967 176.519 -0.328 0.000 1.212 203 W CA 1.296 58.458 57.345 -0.305 0.000 1.271 203 W CB -0.091 29.159 29.460 -0.349 0.000 1.126 203 W HN 0.494 nan 8.180 nan 0.000 0.535 204 Q N -0.542 119.164 119.800 -0.156 0.000 2.079 204 Q HA -0.278 4.062 4.340 -0.000 0.000 0.200 204 Q C 2.062 178.073 176.000 0.019 0.000 0.974 204 Q CA 1.896 57.631 55.803 -0.113 0.000 0.840 204 Q CB -0.299 28.383 28.738 -0.093 0.000 0.898 204 Q HN 0.371 nan 8.270 nan 0.000 0.430 205 H N -0.011 118.995 119.070 -0.106 0.000 2.389 205 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 205 H C 2.043 177.472 175.328 0.168 0.000 1.081 205 H CA 1.744 57.855 56.048 0.104 0.000 1.345 205 H CB 0.166 29.995 29.762 0.112 0.000 1.393 205 H HN 0.099 nan 8.280 nan 0.000 0.520 206 R N 0.037 120.551 120.500 0.023 0.000 2.081 206 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 206 R C 2.257 178.517 176.300 -0.066 0.000 1.131 206 R CA 1.828 57.904 56.100 -0.040 0.000 0.960 206 R CB 0.032 30.294 30.300 -0.064 0.000 0.856 206 R HN 0.522 nan 8.270 nan 0.000 0.436 207 Q N -1.027 118.706 119.800 -0.112 0.000 2.084 207 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 207 Q C 1.763 177.755 176.000 -0.013 0.000 0.978 207 Q CA 1.699 57.331 55.803 -0.284 0.000 0.844 207 Q CB -0.285 28.024 28.738 -0.715 0.000 0.898 207 Q HN 0.463 nan 8.270 nan 0.000 0.426 208 W N 1.123 122.360 121.300 -0.104 0.000 2.355 208 W HA -0.210 4.450 4.660 -0.000 0.000 0.309 208 W C 1.883 178.383 176.519 -0.031 0.000 1.206 208 W CA 1.411 58.735 57.345 -0.035 0.000 1.284 208 W CB -0.467 28.969 29.460 -0.039 0.000 1.145 208 W HN -0.176 nan 8.180 nan 0.000 0.502 209 V N 1.514 121.217 119.914 -0.351 0.000 2.287 209 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 209 V C 2.327 178.209 176.094 -0.354 0.000 1.053 209 V CA 2.289 64.286 62.300 -0.505 0.000 1.027 209 V CB -1.013 30.628 31.823 -0.302 0.000 0.646 209 V HN 0.245 nan 8.190 nan 0.000 0.447 210 I N -0.380 119.988 120.570 -0.337 0.000 2.208 210 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 210 I C 2.654 178.337 176.117 -0.723 0.000 1.097 210 I CA 2.056 63.037 61.300 -0.532 0.000 1.363 210 I CB -0.325 37.346 38.000 -0.548 0.000 1.051 210 I HN 0.383 nan 8.210 nan 0.000 0.413 211 Q N 0.778 120.315 119.800 -0.439 0.000 2.083 211 Q HA -0.261 4.078 4.340 -0.000 0.000 0.198 211 Q C 2.072 177.960 176.000 -0.187 0.000 0.969 211 Q CA 1.651 57.365 55.803 -0.149 0.000 0.838 211 Q CB 0.069 28.919 28.738 0.187 0.000 0.900 211 Q HN 0.308 nan 8.270 nan 0.000 0.436 212 E N -0.518 119.418 120.200 -0.439 0.000 2.106 212 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 212 E C 0.484 176.651 176.600 -0.722 0.000 0.984 212 E CA 1.240 57.258 56.400 -0.637 0.000 0.806 212 E CB -0.015 29.004 29.700 -1.136 0.000 0.750 212 E HN 0.443 nan 8.360 nan 0.000 0.458 213 F N 0.114 119.843 119.950 -0.368 0.000 2.639 213 F HA 0.347 4.874 4.527 -0.000 0.000 0.302 213 F C -0.144 175.545 175.800 -0.186 0.000 1.097 213 F CA -0.471 57.383 58.000 -0.244 0.000 1.294 213 F CB 0.308 39.152 39.000 -0.260 0.000 1.027 213 F HN -0.258 nan 8.300 nan 0.000 0.550 214 K N 1.123 121.469 120.400 -0.090 0.000 3.419 214 K HA -0.178 4.142 4.320 -0.000 0.000 0.272 214 K C -0.661 175.869 176.600 -0.116 0.000 0.973 214 K CA 0.495 56.767 56.287 -0.025 0.000 0.749 214 K CB -1.933 30.659 32.500 0.153 0.000 1.403 214 K HN 0.396 nan 8.250 nan 0.000 0.456 215 L N -0.293 120.697 121.223 -0.389 0.000 2.959 215 L HA 0.243 4.583 4.340 -0.000 0.000 0.236 215 L C 0.717 177.419 176.870 -0.279 0.000 1.296 215 L CA -0.518 54.178 54.840 -0.241 0.000 1.047 215 L CB -0.103 41.832 42.059 -0.206 0.000 1.395 215 L HN 0.402 nan 8.230 nan 0.000 0.492 216 W N -0.876 120.418 121.300 -0.008 0.000 2.737 216 W HA 0.018 4.678 4.660 -0.000 0.000 0.262 216 W C 1.772 178.280 176.519 -0.018 0.000 1.282 216 W CA -0.227 57.108 57.345 -0.018 0.000 1.386 216 W CB -0.030 29.394 29.460 -0.059 0.000 1.099 216 W HN 0.310 nan 8.180 nan 0.000 0.621 217 D N 0.694 121.204 120.400 0.182 0.000 2.200 217 D HA -0.223 4.417 4.640 -0.000 0.000 0.192 217 D C 1.248 177.592 176.300 0.074 0.000 1.008 217 D CA 1.511 55.573 54.000 0.102 0.000 0.872 217 D CB -0.482 40.355 40.800 0.062 0.000 0.923 217 D HN 0.259 nan 8.370 nan 0.000 0.447 218 N N -0.257 118.480 118.700 0.063 0.000 2.200 218 N HA -0.008 4.732 4.740 -0.000 0.000 0.224 218 N C 1.044 176.611 175.510 0.095 0.000 1.179 218 N CA -0.010 53.075 53.050 0.058 0.000 0.877 218 N CB 1.097 39.602 38.487 0.030 0.000 1.072 218 N HN 0.100 nan 8.380 nan 0.000 0.519 219 E N 1.198 121.472 120.200 0.122 0.000 2.107 219 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 219 E C 1.721 178.438 176.600 0.195 0.000 0.982 219 E CA 0.556 57.069 56.400 0.189 0.000 0.809 219 E CB -0.035 29.798 29.700 0.221 0.000 0.756 219 E HN 0.132 nan 8.360 nan 0.000 0.459 220 L N 0.928 122.220 121.223 0.116 0.000 2.131 220 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 220 L C 2.295 179.172 176.870 0.012 0.000 1.092 220 L CA 1.963 56.824 54.840 0.034 0.000 0.759 220 L CB -0.637 41.408 42.059 -0.022 0.000 0.903 220 L HN 0.271 nan 8.230 nan 0.000 0.435 221 Q N -2.042 117.788 119.800 0.050 0.000 2.119 221 Q HA -0.276 4.063 4.340 -0.000 0.000 0.201 221 Q C 2.209 178.260 176.000 0.084 0.000 0.972 221 Q CA 1.751 57.580 55.803 0.043 0.000 0.847 221 Q CB -0.361 28.409 28.738 0.054 0.000 0.903 221 Q HN 0.623 nan 8.270 nan 0.000 0.433 222 Y N 0.217 120.522 120.300 0.008 0.000 2.200 222 Y HA -0.169 4.381 4.550 -0.000 0.000 0.290 222 Y C 1.947 177.865 175.900 0.029 0.000 1.137 222 Y CA 1.248 59.364 58.100 0.026 0.000 1.163 222 Y CB -0.279 38.211 38.460 0.051 0.000 0.988 222 Y HN -0.052 nan 8.280 nan 0.000 0.518 223 V N 0.550 120.466 119.914 0.004 0.000 2.295 223 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 223 V C 2.064 178.022 176.094 -0.226 0.000 1.049 223 V CA 2.296 64.514 62.300 -0.136 0.000 1.024 223 V CB -0.641 31.119 31.823 -0.106 0.000 0.648 223 V HN 0.377 nan 8.190 nan 0.000 0.447 224 D N -0.635 119.662 120.400 -0.172 0.000 2.144 224 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 224 D C 2.186 178.411 176.300 -0.124 0.000 0.984 224 D CA 1.369 55.281 54.000 -0.147 0.000 0.834 224 D CB -0.157 40.586 40.800 -0.096 0.000 0.955 224 D HN 0.423 nan 8.370 nan 0.000 0.465 225 Q N 0.597 120.318 119.800 -0.132 0.000 2.079 225 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 225 Q C 2.209 178.110 176.000 -0.166 0.000 0.974 225 Q CA 0.942 56.672 55.803 -0.122 0.000 0.840 225 Q CB -0.375 28.305 28.738 -0.097 0.000 0.898 225 Q HN 0.290 nan 8.270 nan 0.000 0.430 226 L N -0.358 120.706 121.223 -0.266 0.000 2.141 226 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 226 L C 2.196 178.966 176.870 -0.167 0.000 1.094 226 L CA 0.670 55.375 54.840 -0.225 0.000 0.763 226 L CB -0.372 41.526 42.059 -0.270 0.000 0.908 226 L HN 0.266 nan 8.230 nan 0.000 0.437 227 L N -0.099 120.998 121.223 -0.210 0.000 2.217 227 L HA -0.170 4.169 4.340 -0.000 0.000 0.211 227 L C 2.591 179.395 176.870 -0.110 0.000 1.107 227 L CA 0.703 55.413 54.840 -0.216 0.000 0.783 227 L CB -0.274 41.582 42.059 -0.338 0.000 0.919 227 L HN 0.191 nan 8.230 nan 0.000 0.442 228 K N 0.785 121.132 120.400 -0.088 0.000 2.062 228 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 228 K C 1.817 178.394 176.600 -0.039 0.000 1.051 228 K CA 1.423 57.680 56.287 -0.051 0.000 0.941 228 K CB 0.030 32.505 32.500 -0.042 0.000 0.719 228 K HN 0.239 nan 8.250 nan 0.000 0.440 229 E N -0.372 119.800 120.200 -0.047 0.000 2.072 229 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 229 E C -0.166 176.427 176.600 -0.013 0.000 0.985 229 E CA 1.127 57.510 56.400 -0.029 0.000 0.801 229 E CB 0.164 29.843 29.700 -0.035 0.000 0.750 229 E HN 0.198 nan 8.360 nan 0.000 0.452 230 D N -0.483 119.907 120.400 -0.016 0.000 2.319 230 D HA 0.007 4.647 4.640 -0.000 0.000 0.237 230 D C -0.095 176.219 176.300 0.024 0.000 1.353 230 D CA -0.173 53.835 54.000 0.014 0.000 0.992 230 D CB 1.486 42.303 40.800 0.027 0.000 1.368 230 D HN -0.103 nan 8.370 nan 0.000 0.564 231 V N 4.553 124.495 119.914 0.048 0.000 3.241 231 V HA -0.035 4.085 4.120 -0.000 0.000 0.269 231 V C 1.617 177.882 176.094 0.285 0.000 1.151 231 V CA 1.462 63.835 62.300 0.121 0.000 1.158 231 V CB -0.317 31.573 31.823 0.112 0.000 0.764 231 V HN 0.393 nan 8.190 nan 0.000 0.508 232 R N 0.365 120.971 120.500 0.177 0.000 2.317 232 R HA 0.140 4.480 4.340 -0.000 0.000 0.208 232 R C 0.709 177.114 176.300 0.175 0.000 0.914 232 R CA -0.165 56.037 56.100 0.169 0.000 1.060 232 R CB -0.166 30.189 30.300 0.091 0.000 1.015 232 R HN 0.337 nan 8.270 nan 0.000 0.498 233 N N 1.766 120.566 118.700 0.165 0.000 2.421 233 N HA -0.058 4.682 4.740 -0.000 0.000 0.260 233 N C 0.380 175.989 175.510 0.165 0.000 1.173 233 N CA 0.211 53.328 53.050 0.112 0.000 0.960 233 N CB 0.498 39.012 38.487 0.045 0.000 1.273 233 N HN 0.046 nan 8.380 nan 0.000 0.497 234 N N 1.623 120.410 118.700 0.146 0.000 2.272 234 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 234 N C 1.097 176.604 175.510 -0.005 0.000 1.014 234 N CA 1.237 54.370 53.050 0.138 0.000 0.870 234 N CB 0.239 38.763 38.487 0.061 0.000 0.975 234 N HN 0.358 nan 8.380 nan 0.000 0.433 235 S N -1.102 114.501 115.700 -0.162 0.000 2.402 235 S HA -0.051 4.418 4.470 -0.000 0.000 0.229 235 S C 1.893 176.005 174.600 -0.813 0.000 1.021 235 S CA 0.796 58.672 58.200 -0.540 0.000 0.974 235 S CB -0.085 62.705 63.200 -0.683 0.000 0.800 235 S HN 0.182 nan 8.310 nan 0.000 0.484 236 V N -0.339 119.265 119.914 -0.518 0.000 2.488 236 V HA -0.080 4.040 4.120 -0.000 0.000 0.246 236 V C 1.779 177.648 176.094 -0.376 0.000 1.046 236 V CA 1.100 63.088 62.300 -0.519 0.000 1.053 236 V CB -0.726 30.883 31.823 -0.358 0.000 0.679 236 V HN 0.573 nan 8.190 nan 0.000 0.458 237 W N 0.638 121.795 121.300 -0.238 0.000 2.402 237 W HA -0.130 4.530 4.660 -0.000 0.000 0.286 237 W C 2.479 178.949 176.519 -0.081 0.000 1.221 237 W CA 1.552 58.773 57.345 -0.207 0.000 1.257 237 W CB -0.499 28.868 29.460 -0.155 0.000 1.120 237 W HN 0.307 nan 8.180 nan 0.000 0.551 238 N N 0.298 119.055 118.700 0.094 0.000 2.142 238 N HA -0.239 4.501 4.740 -0.000 0.000 0.186 238 N C 1.731 177.310 175.510 0.116 0.000 1.023 238 N CA 1.677 54.782 53.050 0.092 0.000 0.852 238 N CB -0.319 38.122 38.487 -0.076 0.000 0.998 238 N HN 0.022 nan 8.380 nan 0.000 0.424 239 Q N 0.663 120.404 119.800 -0.099 0.000 2.119 239 Q HA -0.023 4.317 4.340 -0.000 0.000 0.201 239 Q C 2.080 178.212 176.000 0.221 0.000 0.972 239 Q CA 1.279 57.104 55.803 0.036 0.000 0.847 239 Q CB -0.210 28.419 28.738 -0.183 0.000 0.903 239 Q HN 0.338 nan 8.270 nan 0.000 0.433 240 R N -1.266 119.288 120.500 0.090 0.000 2.083 240 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 240 R C 2.080 178.559 176.300 0.299 0.000 1.137 240 R CA 1.705 57.854 56.100 0.083 0.000 0.951 240 R CB -0.527 29.679 30.300 -0.157 0.000 0.851 240 R HN 0.437 nan 8.270 nan 0.000 0.434 241 Y N 0.160 120.704 120.300 0.407 0.000 2.181 241 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 241 Y C 1.941 178.072 175.900 0.385 0.000 1.146 241 Y CA 1.950 60.363 58.100 0.522 0.000 1.164 241 Y CB -0.434 38.304 38.460 0.463 0.000 0.982 241 Y HN 0.152 nan 8.280 nan 0.000 0.515 242 F N -0.179 119.997 119.950 0.376 0.000 2.095 242 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 242 F C 2.063 178.005 175.800 0.237 0.000 1.104 242 F CA 2.035 60.218 58.000 0.306 0.000 1.232 242 F CB -0.946 38.217 39.000 0.271 0.000 0.987 242 F HN -0.098 nan 8.300 nan 0.000 0.475 243 V N 1.009 121.009 119.914 0.143 0.000 2.261 243 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 243 V C 2.489 178.446 176.094 -0.229 0.000 1.047 243 V CA 2.270 64.587 62.300 0.028 0.000 1.015 243 V CB -0.685 31.246 31.823 0.179 0.000 0.642 243 V HN 0.392 nan 8.190 nan 0.000 0.446 244 I N 1.177 121.608 120.570 -0.232 0.000 2.179 244 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 244 I C 2.712 178.488 176.117 -0.569 0.000 1.088 244 I CA 1.850 62.878 61.300 -0.454 0.000 1.357 244 I CB -0.591 37.035 38.000 -0.624 0.000 1.051 244 I HN 0.486 nan 8.210 nan 0.000 0.409 245 S N 0.652 116.061 115.700 -0.486 0.000 2.419 245 S HA -0.178 4.291 4.470 -0.000 0.000 0.233 245 S C 1.484 175.873 174.600 -0.352 0.000 1.016 245 S CA 1.703 59.692 58.200 -0.352 0.000 0.974 245 S CB -0.710 62.339 63.200 -0.252 0.000 0.786 245 S HN 0.492 nan 8.310 nan 0.000 0.492 246 N N 0.743 119.129 118.700 -0.522 0.000 2.299 246 N HA 0.133 4.873 4.740 -0.000 0.000 0.187 246 N C 1.439 176.404 175.510 -0.908 0.000 1.099 246 N CA 0.899 53.507 53.050 -0.738 0.000 0.867 246 N CB 0.465 38.290 38.487 -1.103 0.000 0.974 246 N HN 0.752 nan 8.380 nan 0.000 0.477 247 T N -3.328 110.792 114.554 -0.723 0.000 3.610 247 T HA 0.006 4.356 4.350 -0.000 0.000 0.209 247 T C 2.054 176.518 174.700 -0.393 0.000 0.889 247 T CA 0.936 62.676 62.100 -0.600 0.000 1.469 247 T CB -0.914 67.669 68.868 -0.475 0.000 1.557 247 T HN 0.053 nan 8.240 nan 0.000 0.431 248 T N -0.707 113.642 114.554 -0.343 0.000 2.978 248 T HA 0.454 4.804 4.350 -0.000 0.000 0.262 248 T C 1.441 175.978 174.700 -0.272 0.000 1.063 248 T CA 0.663 62.601 62.100 -0.271 0.000 1.140 248 T CB -1.117 67.603 68.868 -0.247 0.000 0.886 248 T HN 1.535 nan 8.240 nan 0.000 0.470 249 G N 0.375 108.958 108.800 -0.363 0.000 2.756 249 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.678 249 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.678 249 G C -0.272 174.411 174.900 -0.361 0.000 1.349 249 G CA -0.225 44.696 45.100 -0.299 0.000 0.847 249 G HN 0.343 nan 8.290 nan 0.000 0.548 250 Y N 0.456 120.683 120.300 -0.122 0.000 2.458 250 Y HA 0.201 4.751 4.550 -0.000 0.000 0.256 250 Y C 2.447 178.329 175.900 -0.029 0.000 1.159 250 Y CA 0.284 58.336 58.100 -0.079 0.000 1.261 250 Y CB 0.409 38.823 38.460 -0.077 0.000 1.119 250 Y HN 0.467 nan 8.280 nan 0.000 0.524 251 N N 0.090 118.836 118.700 0.077 0.000 2.354 251 N HA -0.118 4.622 4.740 -0.000 0.000 0.179 251 N C 0.198 175.729 175.510 0.035 0.000 1.021 251 N CA 0.793 53.879 53.050 0.060 0.000 0.887 251 N CB -0.116 38.389 38.487 0.031 0.000 0.974 251 N HN 0.282 nan 8.380 nan 0.000 0.437 252 D N 1.434 121.833 120.400 -0.003 0.000 2.363 252 D HA 0.018 4.657 4.640 -0.000 0.000 0.263 252 D C 0.973 177.283 176.300 0.016 0.000 1.258 252 D CA 0.052 54.044 54.000 -0.012 0.000 0.907 252 D CB 0.529 41.298 40.800 -0.052 0.000 1.107 252 D HN 0.058 nan 8.370 nan 0.000 0.495 253 R N 3.037 123.557 120.500 0.033 0.000 2.159 253 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 253 R C 1.886 178.213 176.300 0.044 0.000 1.131 253 R CA 1.345 57.478 56.100 0.056 0.000 0.982 253 R CB -0.074 30.260 30.300 0.056 0.000 0.868 253 R HN 0.497 nan 8.270 nan 0.000 0.453 254 A N 0.596 123.427 122.820 0.019 0.000 1.930 254 A HA -0.074 4.245 4.320 -0.000 0.000 0.217 254 A C 2.314 179.902 177.584 0.006 0.000 1.175 254 A CA 1.072 53.116 52.037 0.012 0.000 0.627 254 A CB -0.292 18.706 19.000 -0.003 0.000 0.815 254 A HN 0.102 nan 8.150 nan 0.000 0.443 255 V N -0.332 119.574 119.914 -0.014 0.000 2.358 255 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 255 V C 2.470 178.573 176.094 0.015 0.000 1.047 255 V CA 1.838 64.113 62.300 -0.041 0.000 1.035 255 V CB -0.699 31.052 31.823 -0.121 0.000 0.658 255 V HN 0.574 nan 8.190 nan 0.000 0.452 256 L N 0.551 121.813 121.223 0.065 0.000 2.017 256 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 256 L C 2.455 179.382 176.870 0.095 0.000 1.073 256 L CA 2.338 57.257 54.840 0.132 0.000 0.745 256 L CB -0.716 41.430 42.059 0.145 0.000 0.894 256 L HN 0.400 nan 8.230 nan 0.000 0.432 257 E N -0.043 120.201 120.200 0.073 0.000 2.085 257 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 257 E C 2.446 179.086 176.600 0.067 0.000 0.994 257 E CA 1.631 58.068 56.400 0.062 0.000 0.801 257 E CB -0.357 29.375 29.700 0.053 0.000 0.743 257 E HN 0.440 nan 8.360 nan 0.000 0.453 258 R N 0.050 120.587 120.500 0.062 0.000 2.091 258 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 258 R C 1.895 178.272 176.300 0.129 0.000 1.136 258 R CA 1.664 57.806 56.100 0.070 0.000 0.959 258 R CB -0.125 30.192 30.300 0.028 0.000 0.856 258 R HN 0.146 nan 8.270 nan 0.000 0.437 259 E N 0.117 120.406 120.200 0.148 0.000 2.072 259 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 259 E C 2.098 178.869 176.600 0.284 0.000 0.985 259 E CA 1.037 57.597 56.400 0.267 0.000 0.801 259 E CB -0.211 29.695 29.700 0.343 0.000 0.750 259 E HN 0.195 nan 8.360 nan 0.000 0.452 260 V N 1.809 121.811 119.914 0.147 0.000 2.343 260 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 260 V C 2.479 178.609 176.094 0.060 0.000 1.051 260 V CA 1.461 63.798 62.300 0.062 0.000 1.036 260 V CB -0.375 31.434 31.823 -0.023 0.000 0.654 260 V HN 0.201 nan 8.190 nan 0.000 0.451 261 Q N -0.941 118.907 119.800 0.080 0.000 2.050 261 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 261 Q C 2.141 178.190 176.000 0.081 0.000 0.980 261 Q CA 2.135 57.971 55.803 0.054 0.000 0.840 261 Q CB -0.552 28.221 28.738 0.059 0.000 0.898 261 Q HN 0.783 nan 8.270 nan 0.000 0.424 262 Y N 1.669 121.994 120.300 0.041 0.000 2.097 262 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 262 Y C 2.309 178.259 175.900 0.084 0.000 1.152 262 Y CA 2.277 60.410 58.100 0.055 0.000 1.136 262 Y CB -0.408 38.099 38.460 0.078 0.000 0.975 262 Y HN 0.086 nan 8.280 nan 0.000 0.498 263 T N 1.292 116.004 114.554 0.263 0.000 2.746 263 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 263 T C 2.023 176.635 174.700 -0.145 0.000 1.039 263 T CA 1.736 63.926 62.100 0.151 0.000 1.142 263 T CB -0.565 68.463 68.868 0.267 0.000 0.866 263 T HN 0.323 nan 8.240 nan 0.000 0.444 264 L N 0.730 121.856 121.223 -0.161 0.000 2.083 264 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 264 L C 2.810 179.538 176.870 -0.237 0.000 1.083 264 L CA 1.278 55.963 54.840 -0.259 0.000 0.752 264 L CB -0.439 41.500 42.059 -0.199 0.000 0.899 264 L HN 0.243 nan 8.230 nan 0.000 0.433 265 E N 0.154 120.239 120.200 -0.191 0.000 2.072 265 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 265 E C 2.188 178.667 176.600 -0.201 0.000 0.985 265 E CA 1.373 57.663 56.400 -0.182 0.000 0.801 265 E CB -0.021 29.575 29.700 -0.173 0.000 0.750 265 E HN 0.192 nan 8.360 nan 0.000 0.452 266 M N 0.005 119.453 119.600 -0.253 0.000 2.175 266 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 266 M C 2.339 178.535 176.300 -0.174 0.000 1.063 266 M CA 1.144 56.331 55.300 -0.189 0.000 1.119 266 M CB -0.715 31.827 32.600 -0.097 0.000 1.377 266 M HN 0.225 nan 8.290 nan 0.000 0.415 267 I N -0.050 120.348 120.570 -0.288 0.000 2.315 267 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 267 I C 2.242 178.276 176.117 -0.139 0.000 1.117 267 I CA 1.180 62.255 61.300 -0.375 0.000 1.404 267 I CB -0.307 37.232 38.000 -0.768 0.000 1.071 267 I HN 0.317 nan 8.210 nan 0.000 0.419 268 K N 0.175 120.504 120.400 -0.117 0.000 2.148 268 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 268 K C 1.988 178.662 176.600 0.123 0.000 1.050 268 K CA 1.049 57.346 56.287 0.018 0.000 0.942 268 K CB -0.072 32.357 32.500 -0.118 0.000 0.724 268 K HN 0.112 nan 8.250 nan 0.000 0.446 269 L N 0.162 121.394 121.223 0.015 0.000 2.072 269 L HA -0.074 4.265 4.340 -0.000 0.000 0.205 269 L C 0.745 177.637 176.870 0.036 0.000 1.079 269 L CA 1.418 56.270 54.840 0.020 0.000 0.752 269 L CB 0.204 42.248 42.059 -0.024 0.000 0.906 269 L HN -0.143 nan 8.230 nan 0.000 0.436 270 V N -0.300 119.628 119.914 0.023 0.000 2.383 270 V HA 0.217 4.337 4.120 -0.000 0.000 0.261 270 V C -1.715 174.414 176.094 0.057 0.000 0.987 270 V CA -0.823 61.505 62.300 0.048 0.000 0.853 270 V CB 0.923 32.768 31.823 0.037 0.000 1.095 270 V HN 0.079 nan 8.190 nan 0.000 0.461 271 P HA -0.159 nan 4.420 nan 0.000 0.217 271 P C 0.804 178.148 177.300 0.073 0.000 1.148 271 P CA 1.590 64.758 63.100 0.113 0.000 0.834 271 P CB 0.084 31.800 31.700 0.026 0.000 0.783 272 H N -3.174 115.995 119.070 0.165 0.000 2.519 272 H HA 0.163 4.719 4.556 -0.000 0.000 0.289 272 H C 0.317 175.575 175.328 -0.117 0.000 1.040 272 H CA -0.354 55.767 56.048 0.122 0.000 1.165 272 H CB -0.790 29.088 29.762 0.194 0.000 1.462 272 H HN 0.008 nan 8.280 nan 0.000 0.555 273 N N 1.337 120.023 118.700 -0.023 0.000 2.415 273 N HA -0.051 4.689 4.740 -0.000 0.000 0.246 273 N C 1.118 176.506 175.510 -0.203 0.000 1.078 273 N CA 0.036 53.033 53.050 -0.089 0.000 0.942 273 N CB 0.758 39.222 38.487 -0.038 0.000 1.140 273 N HN 0.369 nan 8.380 nan 0.000 0.501 274 E N 2.231 122.237 120.200 -0.324 0.000 2.153 274 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 274 E C 0.903 177.404 176.600 -0.165 0.000 0.988 274 E CA 0.910 57.124 56.400 -0.311 0.000 0.811 274 E CB 0.185 29.770 29.700 -0.191 0.000 0.746 274 E HN 0.650 nan 8.360 nan 0.000 0.466 275 S N 0.311 115.868 115.700 -0.239 0.000 2.370 275 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 275 S C 2.001 176.106 174.600 -0.825 0.000 1.033 275 S CA 1.118 59.057 58.200 -0.435 0.000 1.011 275 S CB -0.279 62.663 63.200 -0.429 0.000 0.852 275 S HN 0.506 nan 8.310 nan 0.000 0.457 276 A N 0.305 122.575 122.820 -0.916 0.000 1.902 276 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 276 A C 1.845 179.106 177.584 -0.538 0.000 1.181 276 A CA 1.279 52.672 52.037 -1.073 0.000 0.623 276 A CB -1.025 17.544 19.000 -0.717 0.000 0.818 276 A HN 0.677 nan 8.150 nan 0.000 0.443 277 W N 0.488 121.595 121.300 -0.322 0.000 2.358 277 W HA -0.143 4.516 4.660 -0.000 0.000 0.303 277 W C 2.143 178.650 176.519 -0.019 0.000 1.208 277 W CA 1.141 58.410 57.345 -0.127 0.000 1.274 277 W CB -0.273 29.150 29.460 -0.062 0.000 1.138 277 W HN 0.326 nan 8.180 nan 0.000 0.515 278 N N -0.801 117.982 118.700 0.139 0.000 2.166 278 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 278 N C 1.363 176.906 175.510 0.056 0.000 1.019 278 N CA 1.398 54.501 53.050 0.088 0.000 0.856 278 N CB -1.109 37.387 38.487 0.016 0.000 0.993 278 N HN 0.239 nan 8.380 nan 0.000 0.426 279 Y N 1.197 121.397 120.300 -0.167 0.000 2.242 279 Y HA -0.065 4.485 4.550 -0.000 0.000 0.291 279 Y C 2.180 178.073 175.900 -0.010 0.000 1.137 279 Y CA 0.763 58.811 58.100 -0.087 0.000 1.181 279 Y CB -0.406 37.960 38.460 -0.156 0.000 0.989 279 Y HN -0.036 nan 8.280 nan 0.000 0.527 280 L N 1.194 122.423 121.223 0.009 0.000 2.012 280 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 280 L C 2.455 179.369 176.870 0.072 0.000 1.073 280 L CA 2.324 57.153 54.840 -0.019 0.000 0.748 280 L CB -0.963 41.057 42.059 -0.066 0.000 0.891 280 L HN 0.255 nan 8.230 nan 0.000 0.431 281 K N -1.057 119.499 120.400 0.260 0.000 2.097 281 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 281 K C 1.995 178.567 176.600 -0.047 0.000 1.050 281 K CA 1.235 57.612 56.287 0.151 0.000 0.938 281 K CB -0.581 31.961 32.500 0.070 0.000 0.718 281 K HN 0.481 nan 8.250 nan 0.000 0.442 282 G N 1.982 110.719 108.800 -0.106 0.000 2.442 282 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 282 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 282 G C 1.455 176.198 174.900 -0.262 0.000 1.141 282 G CA 1.141 46.121 45.100 -0.200 0.000 0.763 282 G HN 0.550 nan 8.290 nan 0.000 0.554 283 I N -2.476 117.873 120.570 -0.369 0.000 3.578 283 I HA 0.333 4.503 4.170 -0.000 0.000 0.295 283 I C 1.728 177.671 176.117 -0.291 0.000 1.280 283 I CA 0.518 61.538 61.300 -0.468 0.000 1.347 283 I CB 0.041 37.623 38.000 -0.696 0.000 1.051 283 I HN 0.080 nan 8.210 nan 0.000 0.460 284 L N 0.673 121.778 121.223 -0.197 0.000 2.717 284 L HA 0.117 4.457 4.340 -0.000 0.000 0.239 284 L C 2.622 179.507 176.870 0.025 0.000 1.086 284 L CA 0.228 54.984 54.840 -0.139 0.000 0.897 284 L CB -0.272 41.624 42.059 -0.273 0.000 1.214 284 L HN 0.271 nan 8.230 nan 0.000 0.508 285 Q N 0.557 120.342 119.800 -0.024 0.000 2.135 285 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 285 Q C 0.897 176.912 176.000 0.025 0.000 0.981 285 Q CA 1.954 57.753 55.803 -0.007 0.000 0.856 285 Q CB -0.317 28.391 28.738 -0.050 0.000 0.902 285 Q HN 0.406 nan 8.270 nan 0.000 0.425 286 D N 0.669 121.082 120.400 0.023 0.000 2.117 286 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 286 D C 2.039 178.376 176.300 0.062 0.000 0.987 286 D CA 0.918 54.941 54.000 0.038 0.000 0.829 286 D CB -0.109 40.714 40.800 0.039 0.000 0.961 286 D HN 0.250 nan 8.370 nan 0.000 0.460 287 R N 0.116 120.679 120.500 0.105 0.000 2.153 287 R HA 0.162 4.502 4.340 -0.000 0.000 0.218 287 R C 0.920 177.274 176.300 0.088 0.000 1.072 287 R CA 0.655 56.818 56.100 0.106 0.000 0.990 287 R CB -0.110 30.294 30.300 0.173 0.000 0.889 287 R HN 0.209 nan 8.270 nan 0.000 0.452 288 G N 0.323 109.204 108.800 0.134 0.000 3.363 288 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.685 288 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.685 288 G C 0.396 175.412 174.900 0.192 0.000 1.199 288 G CA -0.682 44.480 45.100 0.104 0.000 0.946 288 G HN 0.107 nan 8.290 nan 0.000 0.558 289 L N 1.546 122.862 121.223 0.155 0.000 2.187 289 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 289 L C 3.005 180.012 176.870 0.229 0.000 1.100 289 L CA 2.067 57.036 54.840 0.215 0.000 0.765 289 L CB -0.418 41.670 42.059 0.048 0.000 0.904 289 L HN 0.869 nan 8.230 nan 0.000 0.437 290 S N -1.141 114.630 115.700 0.117 0.000 2.555 290 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 290 S C 1.652 176.262 174.600 0.017 0.000 0.978 290 S CA 0.371 58.618 58.200 0.077 0.000 0.934 290 S CB -0.097 63.131 63.200 0.046 0.000 0.766 290 S HN 0.204 nan 8.310 nan 0.000 0.533 291 K N 0.675 121.036 120.400 -0.066 0.000 2.487 291 K HA 0.215 4.535 4.320 -0.000 0.000 0.192 291 K C -0.763 175.511 176.600 -0.543 0.000 1.027 291 K CA 0.288 56.378 56.287 -0.328 0.000 1.054 291 K CB -0.186 32.021 32.500 -0.488 0.000 0.824 291 K HN 0.601 nan 8.250 nan 0.000 0.510 292 Y N 0.210 120.538 120.300 0.046 0.000 2.747 292 Y HA 0.211 4.761 4.550 -0.000 0.000 0.362 292 Y C -1.661 174.268 175.900 0.049 0.000 1.026 292 Y CA -2.488 55.641 58.100 0.048 0.000 1.135 292 Y CB 0.760 39.256 38.460 0.059 0.000 1.175 292 Y HN 0.005 nan 8.280 nan 0.000 0.643 293 P HA -0.218 nan 4.420 nan 0.000 0.216 293 P C 0.638 177.992 177.300 0.091 0.000 1.150 293 P CA 1.610 64.762 63.100 0.086 0.000 0.843 293 P CB 0.568 32.297 31.700 0.047 0.000 0.787 294 N N -0.226 118.530 118.700 0.093 0.000 2.309 294 N HA -0.094 4.646 4.740 -0.000 0.000 0.182 294 N C 1.829 177.378 175.510 0.065 0.000 1.018 294 N CA 0.489 53.581 53.050 0.070 0.000 0.876 294 N CB -0.996 37.528 38.487 0.062 0.000 0.972 294 N HN 0.141 nan 8.380 nan 0.000 0.434 295 L N 0.978 122.257 121.223 0.095 0.000 2.083 295 L HA -0.038 4.301 4.340 -0.000 0.000 0.209 295 L C 2.001 178.902 176.870 0.052 0.000 1.083 295 L CA 1.120 55.996 54.840 0.059 0.000 0.752 295 L CB -0.831 41.283 42.059 0.091 0.000 0.899 295 L HN 0.066 nan 8.230 nan 0.000 0.433 296 L N 0.008 121.282 121.223 0.084 0.000 2.012 296 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 296 L C 2.266 179.164 176.870 0.047 0.000 1.073 296 L CA 1.841 56.721 54.840 0.065 0.000 0.748 296 L CB -1.115 40.992 42.059 0.079 0.000 0.891 296 L HN 0.387 nan 8.230 nan 0.000 0.431 297 N N -0.440 118.289 118.700 0.048 0.000 2.084 297 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 297 N C 1.786 177.306 175.510 0.018 0.000 1.030 297 N CA 1.694 54.766 53.050 0.037 0.000 0.849 297 N CB -0.288 38.219 38.487 0.034 0.000 1.012 297 N HN 0.595 nan 8.380 nan 0.000 0.423 298 Q N 0.579 120.382 119.800 0.005 0.000 2.084 298 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 298 Q C 2.277 178.263 176.000 -0.024 0.000 0.978 298 Q CA 0.864 56.654 55.803 -0.020 0.000 0.844 298 Q CB -0.147 28.568 28.738 -0.039 0.000 0.898 298 Q HN 0.383 nan 8.270 nan 0.000 0.426 299 L N -0.013 121.201 121.223 -0.015 0.000 2.093 299 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 299 L C 2.203 179.089 176.870 0.027 0.000 1.085 299 L CA 0.369 55.214 54.840 0.008 0.000 0.755 299 L CB -0.292 41.776 42.059 0.015 0.000 0.904 299 L HN 0.224 nan 8.230 nan 0.000 0.435 300 L N -0.194 121.045 121.223 0.025 0.000 2.191 300 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 300 L C 2.061 178.948 176.870 0.028 0.000 1.103 300 L CA 1.677 56.538 54.840 0.034 0.000 0.769 300 L CB -0.709 41.379 42.059 0.047 0.000 0.908 300 L HN 0.232 nan 8.230 nan 0.000 0.438 301 D N -1.062 119.347 120.400 0.016 0.000 2.194 301 D HA -0.072 4.568 4.640 -0.000 0.000 0.204 301 D C 2.224 178.530 176.300 0.010 0.000 0.964 301 D CA 0.927 54.932 54.000 0.009 0.000 0.846 301 D CB 0.116 40.912 40.800 -0.006 0.000 0.962 301 D HN 0.310 nan 8.370 nan 0.000 0.490 302 L N 0.606 121.833 121.223 0.007 0.000 2.395 302 L HA -0.085 4.255 4.340 -0.000 0.000 0.218 302 L C 2.380 179.297 176.870 0.078 0.000 1.130 302 L CA 0.181 55.035 54.840 0.023 0.000 0.826 302 L CB -0.208 41.853 42.059 0.002 0.000 0.941 302 L HN -0.061 nan 8.230 nan 0.000 0.451 303 Q N 1.544 121.378 119.800 0.057 0.000 2.012 303 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 303 Q C -0.540 175.490 176.000 0.051 0.000 1.009 303 Q CA 2.515 58.347 55.803 0.049 0.000 0.866 303 Q CB -1.318 27.440 28.738 0.033 0.000 0.945 303 Q HN 0.214 nan 8.270 nan 0.000 0.414 304 P HA -0.134 nan 4.420 nan 0.000 0.218 304 P C 0.814 178.151 177.300 0.062 0.000 1.148 304 P CA 2.016 65.143 63.100 0.045 0.000 0.822 304 P CB -0.024 31.699 31.700 0.038 0.000 0.784 305 S N -2.107 113.653 115.700 0.099 0.000 2.860 305 S HA 0.014 4.484 4.470 -0.000 0.000 0.181 305 S C 1.468 176.162 174.600 0.156 0.000 0.763 305 S CA 0.005 58.286 58.200 0.136 0.000 0.829 305 S CB -1.411 61.913 63.200 0.206 0.000 0.793 305 S HN 0.023 nan 8.310 nan 0.000 0.614 306 H N 2.448 121.545 119.070 0.045 0.000 2.602 306 H HA 0.444 5.000 4.556 -0.000 0.000 0.285 306 H C 0.871 176.231 175.328 0.053 0.000 1.093 306 H CA 0.201 56.283 56.048 0.057 0.000 1.201 306 H CB -0.978 28.820 29.762 0.059 0.000 1.294 306 H HN 0.379 nan 8.280 nan 0.000 0.633 307 S N 0.558 116.327 115.700 0.115 0.000 2.580 307 S HA 0.295 4.765 4.470 -0.000 0.000 0.261 307 S C 0.352 174.947 174.600 -0.008 0.000 1.366 307 S CA 0.339 58.567 58.200 0.047 0.000 0.996 307 S CB 0.284 63.499 63.200 0.026 0.000 0.902 307 S HN 0.656 nan 8.310 nan 0.000 0.566 308 S N 0.703 116.358 115.700 -0.074 0.000 2.718 308 S HA 0.282 4.752 4.470 -0.000 0.000 0.271 308 S C -2.776 171.660 174.600 -0.273 0.000 0.999 308 S CA -0.548 57.577 58.200 -0.125 0.000 0.899 308 S CB 0.691 63.770 63.200 -0.201 0.000 1.148 308 S HN 0.463 nan 8.310 nan 0.000 0.463 309 P HA -0.070 nan 4.420 nan 0.000 0.220 309 P C 1.061 178.015 177.300 -0.577 0.000 1.148 309 P CA 1.327 64.137 63.100 -0.484 0.000 0.803 309 P CB -0.356 31.038 31.700 -0.511 0.000 0.782 310 Y N -0.071 119.972 120.300 -0.429 0.000 2.181 310 Y HA -0.129 4.421 4.550 -0.000 0.000 0.288 310 Y C 2.647 177.932 175.900 -1.025 0.000 1.146 310 Y CA 0.417 58.056 58.100 -0.768 0.000 1.164 310 Y CB -1.398 36.278 38.460 -1.307 0.000 0.982 310 Y HN -0.110 nan 8.280 nan 0.000 0.515 311 L N 0.044 120.735 121.223 -0.887 0.000 2.027 311 L HA -0.149 4.190 4.340 -0.000 0.000 0.206 311 L C 2.005 178.722 176.870 -0.255 0.000 1.074 311 L CA 1.511 55.971 54.840 -0.632 0.000 0.745 311 L CB -0.788 41.129 42.059 -0.237 0.000 0.898 311 L HN 0.137 nan 8.230 nan 0.000 0.433 312 I N 0.269 120.688 120.570 -0.250 0.000 2.226 312 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 312 I C 2.676 178.662 176.117 -0.218 0.000 1.100 312 I CA 1.445 62.619 61.300 -0.210 0.000 1.374 312 I CB -1.940 35.907 38.000 -0.256 0.000 1.057 312 I HN 0.363 nan 8.210 nan 0.000 0.413 313 A N 0.274 122.963 122.820 -0.217 0.000 1.933 313 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 313 A C 2.323 179.933 177.584 0.044 0.000 1.175 313 A CA 1.185 53.184 52.037 -0.063 0.000 0.628 313 A CB -1.053 18.043 19.000 0.159 0.000 0.814 313 A HN 0.352 nan 8.150 nan 0.000 0.444 314 F N 0.382 120.264 119.950 -0.113 0.000 2.134 314 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 314 F C 1.983 177.727 175.800 -0.094 0.000 1.097 314 F CA 1.548 59.523 58.000 -0.042 0.000 1.264 314 F CB -0.102 38.901 39.000 0.005 0.000 1.001 314 F HN 0.134 nan 8.300 nan 0.000 0.479 315 L N -0.913 120.339 121.223 0.050 0.000 2.046 315 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 315 L C 2.290 178.927 176.870 -0.388 0.000 1.077 315 L CA 0.918 55.618 54.840 -0.233 0.000 0.747 315 L CB -0.818 41.096 42.059 -0.241 0.000 0.896 315 L HN -0.005 nan 8.230 nan 0.000 0.432 316 V N -0.301 119.531 119.914 -0.137 0.000 2.343 316 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 316 V C 2.106 178.215 176.094 0.026 0.000 1.051 316 V CA 1.834 64.145 62.300 0.019 0.000 1.036 316 V CB -0.553 31.313 31.823 0.072 0.000 0.654 316 V HN 0.454 nan 8.190 nan 0.000 0.451 317 D N 0.093 120.472 120.400 -0.037 0.000 2.144 317 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 317 D C 2.097 178.331 176.300 -0.110 0.000 0.984 317 D CA 1.382 55.328 54.000 -0.091 0.000 0.834 317 D CB -0.125 40.511 40.800 -0.272 0.000 0.955 317 D HN 0.407 nan 8.370 nan 0.000 0.465 318 I N 0.098 120.572 120.570 -0.161 0.000 2.179 318 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 318 I C 2.342 178.462 176.117 0.005 0.000 1.088 318 I CA 1.054 62.301 61.300 -0.088 0.000 1.357 318 I CB -0.399 37.538 38.000 -0.106 0.000 1.051 318 I HN 0.041 nan 8.210 nan 0.000 0.409 319 Y N 1.157 121.462 120.300 0.007 0.000 2.165 319 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 319 Y C 2.641 178.506 175.900 -0.058 0.000 1.155 319 Y CA 0.862 58.947 58.100 -0.025 0.000 1.164 319 Y CB -0.293 38.151 38.460 -0.026 0.000 0.978 319 Y HN 0.242 nan 8.280 nan 0.000 0.513 320 E N 0.179 120.451 120.200 0.119 0.000 2.058 320 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 320 E C 1.584 178.197 176.600 0.023 0.000 0.997 320 E CA 1.603 58.035 56.400 0.053 0.000 0.801 320 E CB -0.248 29.491 29.700 0.064 0.000 0.746 320 E HN 0.417 nan 8.360 nan 0.000 0.450 321 D N 0.247 120.666 120.400 0.031 0.000 2.144 321 D HA -0.127 4.512 4.640 -0.000 0.000 0.199 321 D C 1.973 178.284 176.300 0.018 0.000 0.984 321 D CA 1.079 55.096 54.000 0.029 0.000 0.834 321 D CB 0.073 40.892 40.800 0.031 0.000 0.955 321 D HN 0.064 nan 8.370 nan 0.000 0.465 322 M N -0.466 119.151 119.600 0.029 0.000 2.080 322 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 322 M C 2.215 178.482 176.300 -0.055 0.000 1.068 322 M CA 1.153 56.464 55.300 0.018 0.000 1.109 322 M CB -0.287 32.359 32.600 0.077 0.000 1.342 322 M HN 0.120 nan 8.290 nan 0.000 0.405 323 L N -0.554 120.573 121.223 -0.160 0.000 2.131 323 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 323 L C 2.224 178.945 176.870 -0.248 0.000 1.092 323 L CA 0.871 55.464 54.840 -0.412 0.000 0.759 323 L CB -0.549 40.923 42.059 -0.978 0.000 0.903 323 L HN 0.253 nan 8.230 nan 0.000 0.435 324 E N 0.134 120.308 120.200 -0.042 0.000 2.482 324 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 324 E C 0.764 177.406 176.600 0.069 0.000 1.047 324 E CA 0.475 56.956 56.400 0.134 0.000 0.869 324 E CB 0.150 29.921 29.700 0.117 0.000 0.836 324 E HN 0.295 nan 8.360 nan 0.000 0.520 325 N N 1.038 119.753 118.700 0.024 0.000 2.467 325 N HA 0.022 4.762 4.740 -0.000 0.000 0.278 325 N C -0.793 174.723 175.510 0.009 0.000 1.306 325 N CA -0.024 53.037 53.050 0.018 0.000 0.905 325 N CB 0.840 39.333 38.487 0.010 0.000 1.236 325 N HN 0.019 nan 8.380 nan 0.000 0.509 326 Q N -0.332 119.477 119.800 0.015 0.000 2.423 326 Q HA -0.186 4.154 4.340 -0.000 0.000 0.332 326 Q C 0.624 176.622 176.000 -0.004 0.000 1.355 326 Q CA 0.566 56.375 55.803 0.010 0.000 0.947 326 Q CB -2.633 26.113 28.738 0.014 0.000 1.189 326 Q HN 0.675 nan 8.270 nan 0.000 0.418 327 C N -1.964 117.326 119.300 -0.017 0.000 2.705 327 C HA 0.488 4.948 4.460 -0.000 0.000 0.365 327 C C 1.005 175.985 174.990 -0.017 0.000 1.353 327 C CA -0.938 58.072 59.018 -0.015 0.000 2.339 327 C CB 0.698 28.428 27.740 -0.016 0.000 2.576 327 C HN 0.504 nan 8.230 nan 0.000 0.716 328 D N 0.906 121.299 120.400 -0.012 0.000 2.312 328 D HA 0.142 4.782 4.640 -0.000 0.000 0.248 328 D C 0.072 176.358 176.300 -0.024 0.000 1.086 328 D CA 0.309 54.300 54.000 -0.014 0.000 0.948 328 D CB 0.394 41.190 40.800 -0.008 0.000 1.162 328 D HN 0.747 nan 8.370 nan 0.000 0.446 329 N N 2.019 120.703 118.700 -0.027 0.000 2.738 329 N HA -0.215 4.524 4.740 -0.000 0.000 0.249 329 N C 0.912 176.387 175.510 -0.057 0.000 1.047 329 N CA 0.558 53.585 53.050 -0.038 0.000 0.707 329 N CB -0.747 37.717 38.487 -0.039 0.000 0.937 329 N HN 0.607 nan 8.380 nan 0.000 0.545 330 K N 0.723 121.092 120.400 -0.051 0.000 2.020 330 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 330 K C 1.447 178.001 176.600 -0.076 0.000 1.050 330 K CA 1.347 57.594 56.287 -0.066 0.000 0.929 330 K CB 0.138 32.616 32.500 -0.038 0.000 0.714 330 K HN 0.189 nan 8.250 nan 0.000 0.443 331 E N 0.795 120.962 120.200 -0.055 0.000 2.085 331 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 331 E C 1.759 178.310 176.600 -0.081 0.000 0.994 331 E CA 1.534 57.901 56.400 -0.055 0.000 0.801 331 E CB -0.326 29.351 29.700 -0.038 0.000 0.743 331 E HN 0.463 nan 8.360 nan 0.000 0.453 332 D N 0.242 120.588 120.400 -0.090 0.000 2.117 332 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 332 D C 1.895 178.080 176.300 -0.191 0.000 0.982 332 D CA 0.696 54.627 54.000 -0.114 0.000 0.828 332 D CB 0.051 40.795 40.800 -0.093 0.000 0.967 332 D HN -0.014 nan 8.370 nan 0.000 0.464 333 I N 0.544 120.983 120.570 -0.219 0.000 2.226 333 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 333 I C 2.365 178.270 176.117 -0.353 0.000 1.100 333 I CA 0.655 61.733 61.300 -0.369 0.000 1.374 333 I CB -1.157 36.688 38.000 -0.258 0.000 1.057 333 I HN 0.237 nan 8.210 nan 0.000 0.413 334 L N 1.524 122.624 121.223 -0.205 0.000 2.046 334 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 334 L C 2.244 179.038 176.870 -0.127 0.000 1.077 334 L CA 1.886 56.644 54.840 -0.137 0.000 0.747 334 L CB -1.079 40.937 42.059 -0.071 0.000 0.896 334 L HN 0.308 nan 8.230 nan 0.000 0.432 335 N N -0.557 118.065 118.700 -0.130 0.000 2.120 335 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 335 N C 1.676 177.110 175.510 -0.127 0.000 1.024 335 N CA 1.177 54.164 53.050 -0.105 0.000 0.852 335 N CB 0.088 38.521 38.487 -0.089 0.000 1.003 335 N HN 0.354 nan 8.380 nan 0.000 0.424 336 K N 1.082 121.353 120.400 -0.215 0.000 2.026 336 K HA -0.035 4.285 4.320 -0.000 0.000 0.208 336 K C 2.130 178.649 176.600 -0.136 0.000 1.048 336 K CA 1.075 57.225 56.287 -0.229 0.000 0.929 336 K CB -0.737 31.467 32.500 -0.493 0.000 0.713 336 K HN 0.243 nan 8.250 nan 0.000 0.439 337 A N 1.764 124.477 122.820 -0.178 0.000 1.883 337 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 337 A C 2.382 179.972 177.584 0.010 0.000 1.186 337 A CA 1.372 53.434 52.037 0.041 0.000 0.624 337 A CB -0.743 18.284 19.000 0.045 0.000 0.822 337 A HN 0.189 nan 8.150 nan 0.000 0.444 338 L N -0.800 120.405 121.223 -0.029 0.000 2.093 338 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 338 L C 2.590 179.440 176.870 -0.034 0.000 1.085 338 L CA 1.560 56.386 54.840 -0.024 0.000 0.755 338 L CB -0.651 41.390 42.059 -0.029 0.000 0.904 338 L HN 0.485 nan 8.230 nan 0.000 0.435 339 E N 0.244 120.418 120.200 -0.042 0.000 2.077 339 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 339 E C 2.348 178.911 176.600 -0.062 0.000 0.989 339 E CA 1.026 57.399 56.400 -0.045 0.000 0.800 339 E CB -0.107 29.568 29.700 -0.043 0.000 0.746 339 E HN 0.474 nan 8.360 nan 0.000 0.452 340 L N 0.367 121.554 121.223 -0.061 0.000 2.093 340 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 340 L C 2.597 179.328 176.870 -0.232 0.000 1.085 340 L CA 0.598 55.364 54.840 -0.124 0.000 0.755 340 L CB -0.421 41.590 42.059 -0.079 0.000 0.904 340 L HN 0.310 nan 8.230 nan 0.000 0.435 341 C N -0.437 118.767 119.300 -0.161 0.000 2.429 341 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 341 C C 2.804 177.729 174.990 -0.109 0.000 1.262 341 C CA 0.510 59.441 59.018 -0.145 0.000 1.733 341 C CB -0.596 27.168 27.740 0.041 0.000 2.010 341 C HN 0.484 nan 8.230 nan 0.000 0.483 342 E N 0.802 120.959 120.200 -0.071 0.000 2.047 342 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 342 E C 2.028 178.581 176.600 -0.078 0.000 0.987 342 E CA 1.172 57.544 56.400 -0.046 0.000 0.799 342 E CB -0.344 29.336 29.700 -0.035 0.000 0.752 342 E HN 0.618 nan 8.360 nan 0.000 0.449 343 I N 0.737 121.237 120.570 -0.116 0.000 2.208 343 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 343 I C 2.492 178.503 176.117 -0.176 0.000 1.097 343 I CA 0.843 62.067 61.300 -0.127 0.000 1.363 343 I CB -0.220 37.701 38.000 -0.131 0.000 1.051 343 I HN 0.097 nan 8.210 nan 0.000 0.413 344 L N 0.283 121.317 121.223 -0.314 0.000 2.027 344 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 344 L C 2.800 179.562 176.870 -0.179 0.000 1.074 344 L CA 1.383 55.956 54.840 -0.445 0.000 0.745 344 L CB -0.656 40.689 42.059 -1.190 0.000 0.898 344 L HN 0.216 nan 8.230 nan 0.000 0.433 345 A N -0.218 122.567 122.820 -0.059 0.000 1.930 345 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 345 A C 2.284 179.903 177.584 0.058 0.000 1.175 345 A CA 1.924 54.031 52.037 0.116 0.000 0.627 345 A CB -0.259 18.832 19.000 0.151 0.000 0.815 345 A HN 0.245 nan 8.150 nan 0.000 0.443 346 K N -0.934 119.470 120.400 0.006 0.000 2.284 346 K HA 0.103 4.423 4.320 -0.000 0.000 0.198 346 K C 1.628 178.222 176.600 -0.010 0.000 1.048 346 K CA 1.453 57.742 56.287 0.002 0.000 0.987 346 K CB 0.148 32.644 32.500 -0.008 0.000 0.800 346 K HN 0.566 nan 8.250 nan 0.000 0.486 347 E N -1.123 119.058 120.200 -0.031 0.000 3.155 347 E HA 0.070 4.420 4.350 -0.000 0.000 0.208 347 E C 0.982 177.555 176.600 -0.045 0.000 1.060 347 E CA -0.014 56.365 56.400 -0.034 0.000 1.522 347 E CB 0.279 29.956 29.700 -0.040 0.000 1.433 347 E HN 0.016 nan 8.360 nan 0.000 0.709 348 K N 0.016 120.367 120.400 -0.081 0.000 2.361 348 K HA 0.023 4.343 4.320 -0.000 0.000 0.196 348 K C -0.062 176.481 176.600 -0.094 0.000 1.039 348 K CA 0.927 57.154 56.287 -0.100 0.000 1.001 348 K CB 0.382 32.792 32.500 -0.149 0.000 0.795 348 K HN -0.049 nan 8.250 nan 0.000 0.495 349 D N -0.104 120.266 120.400 -0.051 0.000 3.256 349 D HA -0.011 4.629 4.640 -0.000 0.000 0.332 349 D C 0.740 177.125 176.300 0.141 0.000 1.327 349 D CA 0.010 54.037 54.000 0.045 0.000 0.735 349 D CB 0.287 41.154 40.800 0.112 0.000 1.280 349 D HN 0.056 nan 8.370 nan 0.000 0.572 350 T N -1.734 112.867 114.554 0.078 0.000 2.849 350 T HA -0.204 4.146 4.350 -0.000 0.000 0.270 350 T C 1.955 176.714 174.700 0.098 0.000 1.066 350 T CA 0.630 62.784 62.100 0.090 0.000 1.130 350 T CB -0.189 68.707 68.868 0.047 0.000 0.864 350 T HN 0.241 nan 8.240 nan 0.000 0.481 351 I N 1.137 121.756 120.570 0.082 0.000 2.454 351 I HA 0.047 4.217 4.170 -0.000 0.000 0.254 351 I C 2.020 178.180 176.117 0.073 0.000 1.156 351 I CA 1.050 62.386 61.300 0.061 0.000 1.433 351 I CB -0.227 37.797 38.000 0.040 0.000 1.082 351 I HN 0.124 nan 8.210 nan 0.000 0.432 352 R N 0.187 120.767 120.500 0.134 0.000 2.609 352 R HA 0.093 4.433 4.340 -0.000 0.000 0.326 352 R C 1.808 178.235 176.300 0.212 0.000 1.090 352 R CA -0.054 56.116 56.100 0.117 0.000 1.072 352 R CB 0.044 30.378 30.300 0.056 0.000 1.330 352 R HN 0.405 nan 8.270 nan 0.000 0.572 353 K N 0.420 120.942 120.400 0.204 0.000 2.044 353 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 353 K C 0.968 177.665 176.600 0.163 0.000 1.049 353 K CA 1.261 57.673 56.287 0.208 0.000 0.927 353 K CB 0.050 32.626 32.500 0.127 0.000 0.713 353 K HN 0.017 nan 8.250 nan 0.000 0.443 354 E N 0.433 120.695 120.200 0.103 0.000 2.110 354 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 354 E C 1.934 178.583 176.600 0.083 0.000 0.988 354 E CA 1.129 57.576 56.400 0.077 0.000 0.804 354 E CB -0.444 29.281 29.700 0.041 0.000 0.745 354 E HN 0.507 nan 8.360 nan 0.000 0.458 355 Y N -0.260 119.982 120.300 -0.097 0.000 2.114 355 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 355 Y C 2.061 177.862 175.900 -0.164 0.000 1.143 355 Y CA 1.720 59.694 58.100 -0.210 0.000 1.135 355 Y CB -0.725 37.450 38.460 -0.476 0.000 0.980 355 Y HN 0.018 nan 8.280 nan 0.000 0.499 356 W N 0.452 121.753 121.300 0.002 0.000 2.374 356 W HA -0.150 4.510 4.660 -0.000 0.000 0.288 356 W C 2.383 178.840 176.519 -0.103 0.000 1.218 356 W CA 0.667 57.947 57.345 -0.108 0.000 1.245 356 W CB -0.110 29.355 29.460 0.008 0.000 1.126 356 W HN -0.145 nan 8.180 nan 0.000 0.545 357 R N -0.413 120.182 120.500 0.158 0.000 2.092 357 R HA -0.182 4.157 4.340 -0.000 0.000 0.231 357 R C 1.903 178.228 176.300 0.043 0.000 1.119 357 R CA 1.398 57.555 56.100 0.094 0.000 0.970 357 R CB -1.636 28.718 30.300 0.089 0.000 0.864 357 R HN 0.385 nan 8.270 nan 0.000 0.440 358 Y N 1.542 121.781 120.300 -0.101 0.000 2.181 358 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 358 Y C 2.047 177.850 175.900 -0.162 0.000 1.146 358 Y CA 1.228 59.248 58.100 -0.134 0.000 1.164 358 Y CB -0.252 38.105 38.460 -0.171 0.000 0.982 358 Y HN -0.155 nan 8.280 nan 0.000 0.515 359 I N 0.548 120.877 120.570 -0.401 0.000 2.226 359 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 359 I C 2.679 178.666 176.117 -0.216 0.000 1.100 359 I CA 1.583 62.639 61.300 -0.406 0.000 1.374 359 I CB -2.024 35.822 38.000 -0.257 0.000 1.057 359 I HN 0.437 nan 8.210 nan 0.000 0.413 360 G N 0.853 109.597 108.800 -0.093 0.000 2.418 360 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 360 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 360 G C 1.890 176.737 174.900 -0.088 0.000 1.158 360 G CA 0.346 45.418 45.100 -0.047 0.000 0.771 360 G HN 0.328 nan 8.290 nan 0.000 0.545 361 R N 0.384 120.808 120.500 -0.126 0.000 2.092 361 R HA 0.007 4.347 4.340 -0.000 0.000 0.231 361 R C 2.986 179.176 176.300 -0.183 0.000 1.119 361 R CA 1.266 57.293 56.100 -0.122 0.000 0.970 361 R CB -0.341 29.907 30.300 -0.088 0.000 0.864 361 R HN 0.309 nan 8.270 nan 0.000 0.440 362 S N 1.494 116.992 115.700 -0.337 0.000 2.356 362 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 362 S C 2.034 176.530 174.600 -0.174 0.000 1.032 362 S CA 1.065 59.062 58.200 -0.338 0.000 1.005 362 S CB -0.231 62.638 63.200 -0.552 0.000 0.867 362 S HN 0.202 nan 8.310 nan 0.000 0.449 363 L N 1.233 122.395 121.223 -0.102 0.000 2.042 363 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 363 L C 2.730 179.625 176.870 0.041 0.000 1.076 363 L CA 1.370 56.241 54.840 0.052 0.000 0.749 363 L CB -0.583 41.511 42.059 0.057 0.000 0.893 363 L HN 0.366 nan 8.230 nan 0.000 0.432 364 Q N -0.530 119.254 119.800 -0.025 0.000 2.167 364 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 364 Q C 2.411 178.375 176.000 -0.060 0.000 0.970 364 Q CA 1.686 57.472 55.803 -0.028 0.000 0.855 364 Q CB -0.031 28.687 28.738 -0.033 0.000 0.911 364 Q HN 0.614 nan 8.270 nan 0.000 0.438 365 S N 0.051 115.695 115.700 -0.094 0.000 2.461 365 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 365 S C 1.591 176.096 174.600 -0.159 0.000 1.005 365 S CA 0.538 58.675 58.200 -0.105 0.000 0.942 365 S CB 0.115 63.255 63.200 -0.099 0.000 0.776 365 S HN 0.201 nan 8.310 nan 0.000 0.514 366 K N -0.055 120.188 120.400 -0.261 0.000 2.276 366 K HA 0.247 4.567 4.320 -0.000 0.000 0.198 366 K C 0.096 176.281 176.600 -0.693 0.000 1.052 366 K CA 0.551 56.526 56.287 -0.520 0.000 0.984 366 K CB 0.152 32.201 32.500 -0.751 0.000 0.836 366 K HN 0.556 nan 8.250 nan 0.000 0.490 367 H N 0.000 119.049 119.070 -0.035 0.000 2.539 367 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 367 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 367 H CB 0.000 29.745 29.762 -0.029 0.000 1.292 367 H HN 0.000 nan 8.280 nan 0.000 0.496