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 2wad_1_A DATA FIRST_RESID 50 DATA SEQUENCE SQTKVTTSSA RGEIYDASGK PLVENTLKQV VSFTRSNKMT ATDLKEIAKK DATA SEQUENCE LLTYVSISSP NLTERQLADY YLADPEIYKK TVEALPXXXX XXXXXXXXXE DATA SEQUENCE SELYNNAVDS VPTSQLNYTE DEKKEIYLFS QLNAVGNFAT GTIATDPLND DATA SEQUENCE SQVAVIASIS KEMPGISIST SWDRKILETS LSSIVGSVSS EKAGLPAEEA DATA SEQUENCE ESYLKKGYSL NDRVGTSYLE KQYEEVLQGK RPVKEIHLDK HGDMESVENI DATA SEQUENCE EEGSKGKNIK LTIDLAFQDS VDALLKSYFN SELGNGGAKY SEGVYAVALN DATA SEQUENCE PQTGAVLSMS GLKHDLKTGE LTPDSLGTVT NVFVPGSVVK AATISSGWEN DATA SEQUENCE GVLSGNQTLT DQPIVFQGSA PIYSWYKLAY GSFPITAVEA LEYSSNAYVV DATA SEQUENCE QTALGIMGQT YQPNMFVGTS NLESAMGKLR STFGEYGLGS ATGIDLPDES DATA SEQUENCE TGLVPKEYNF ANFITNAFGQ FDNYTPMQLA QYVATIANNG VRLAPHIVEG DATA SEQUENCE IYDNNDKGGL GELIQAIDTK EINKVNISES DMAILHQGFY QVSHGTSPLT DATA SEQUENCE TGRAFSDGAT VSISGKTGXX XXXXXXXXXX TNTNAVAYAP TENPQIAVAV DATA SEQUENCE VFPHNTNLTK NVGPAIARDI INLYNQHHPM N 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 50 S HA 0.000 nan 4.470 nan 0.000 0.327 50 S C 0.000 174.578 174.600 -0.036 0.000 1.055 50 S CA 0.000 58.202 58.200 0.004 0.000 1.107 50 S CB 0.000 63.206 63.200 0.010 0.000 0.593 51 Q N 0.823 120.568 119.800 -0.093 0.000 2.281 51 Q HA 0.553 4.894 4.340 0.002 0.000 0.263 51 Q C -1.616 174.286 176.000 -0.164 0.000 0.989 51 Q CA -0.564 55.097 55.803 -0.237 0.000 0.852 51 Q CB 1.725 30.250 28.738 -0.355 0.000 1.337 51 Q HN 0.566 nan 8.270 nan 0.000 0.418 52 T N 2.099 116.537 114.554 -0.193 0.000 2.786 52 T HA 0.509 4.860 4.350 0.002 0.000 0.283 52 T C -0.667 173.951 174.700 -0.137 0.000 0.992 52 T CA -0.544 61.503 62.100 -0.088 0.000 0.954 52 T CB 0.562 69.476 68.868 0.076 0.000 0.934 52 T HN 0.674 nan 8.240 nan 0.000 0.440 53 K N 3.682 124.034 120.400 -0.081 0.000 2.172 53 K HA 0.683 5.004 4.320 0.002 0.000 0.276 53 K C -0.636 175.946 176.600 -0.029 0.000 1.013 53 K CA -0.790 55.450 56.287 -0.079 0.000 0.913 53 K CB 1.307 33.769 32.500 -0.063 0.000 1.055 53 K HN 0.402 nan 8.250 nan 0.000 0.461 54 V N -0.603 119.291 119.914 -0.032 0.000 2.735 54 V HA 0.501 4.622 4.120 0.002 0.000 0.310 54 V C -0.737 175.355 176.094 -0.003 0.000 1.061 54 V CA -0.820 61.482 62.300 0.003 0.000 0.913 54 V CB 1.732 33.576 31.823 0.036 0.000 1.005 54 V HN 0.851 nan 8.190 nan 0.000 0.428 55 T N 2.615 117.173 114.554 0.007 0.000 2.786 55 T HA 0.592 4.943 4.350 0.002 0.000 0.283 55 T C -0.085 174.622 174.700 0.012 0.000 0.992 55 T CA -0.158 61.944 62.100 0.003 0.000 0.954 55 T CB 1.336 70.202 68.868 -0.003 0.000 0.934 55 T HN 1.089 nan 8.240 nan 0.000 0.440 56 T N 1.952 116.515 114.554 0.015 0.000 2.918 56 T HA 0.551 4.902 4.350 0.002 0.000 0.286 56 T C 0.252 174.978 174.700 0.043 0.000 1.026 56 T CA -0.556 61.563 62.100 0.032 0.000 1.031 56 T CB 0.935 69.823 68.868 0.034 0.000 1.046 56 T HN 0.441 nan 8.240 nan 0.000 0.479 57 S N 2.143 117.887 115.700 0.074 0.000 2.603 57 S HA 0.537 5.008 4.470 0.002 0.000 0.268 57 S C 0.102 174.795 174.600 0.156 0.000 1.317 57 S CA -0.690 57.566 58.200 0.094 0.000 1.012 57 S CB 1.031 64.311 63.200 0.134 0.000 0.926 57 S HN 0.788 nan 8.310 nan 0.000 0.539 58 S N 0.375 116.132 115.700 0.095 0.000 2.795 58 S HA 0.770 5.241 4.470 0.002 0.000 0.308 58 S C -0.135 174.348 174.600 -0.197 0.000 1.098 58 S CA -0.734 57.522 58.200 0.094 0.000 0.934 58 S CB 0.931 64.147 63.200 0.027 0.000 1.300 58 S HN 0.888 nan 8.310 nan 0.000 0.566 59 A N 0.882 123.442 122.820 -0.434 0.000 2.354 59 A HA 0.517 4.838 4.320 0.002 0.000 0.269 59 A C 0.180 177.481 177.584 -0.472 0.000 1.109 59 A CA -0.238 51.244 52.037 -0.925 0.000 0.800 59 A CB 0.042 18.593 19.000 -0.749 0.000 1.045 59 A HN 0.666 nan 8.150 nan 0.000 0.489 60 R N 1.590 121.809 120.500 -0.468 0.000 2.490 60 R HA 0.356 4.697 4.340 0.002 0.000 0.280 60 R C 0.866 177.068 176.300 -0.162 0.000 1.077 60 R CA 0.469 56.432 56.100 -0.228 0.000 1.065 60 R CB 0.508 30.703 30.300 -0.175 0.000 1.003 60 R HN 0.911 nan 8.270 nan 0.000 0.470 61 G N 2.307 111.064 108.800 -0.071 0.000 2.699 61 G HA2 0.044 4.005 3.960 0.002 0.000 0.246 61 G HA3 0.044 4.005 3.960 0.002 0.000 0.246 61 G C -0.673 174.213 174.900 -0.023 0.000 1.219 61 G CA -0.316 44.774 45.100 -0.016 0.000 0.866 61 G HN 0.673 nan 8.290 nan 0.000 0.572 62 E N -1.397 118.811 120.200 0.012 0.000 2.355 62 E HA 0.512 4.863 4.350 0.002 0.000 0.261 62 E C -0.520 176.008 176.600 -0.119 0.000 0.943 62 E CA -0.826 55.517 56.400 -0.096 0.000 0.806 62 E CB 1.958 31.545 29.700 -0.190 0.000 1.286 62 E HN 0.183 nan 8.360 nan 0.000 0.424 63 I N 1.767 122.142 120.570 -0.324 0.000 2.436 63 I HA 0.360 4.531 4.170 0.002 0.000 0.289 63 I C -1.049 174.808 176.117 -0.433 0.000 1.010 63 I CA -0.553 60.613 61.300 -0.223 0.000 1.098 63 I CB 0.461 38.384 38.000 -0.127 0.000 1.266 63 I HN 0.518 nan 8.210 nan 0.000 0.434 64 Y N 3.233 123.493 120.300 -0.068 0.000 2.499 64 Y HA 0.321 4.872 4.550 0.002 0.000 0.347 64 Y C 0.456 176.315 175.900 -0.067 0.000 0.987 64 Y CA -0.909 57.146 58.100 -0.076 0.000 1.044 64 Y CB 1.522 39.907 38.460 -0.125 0.000 1.245 64 Y HN 0.594 nan 8.280 nan 0.000 0.461 65 D N 0.816 121.279 120.400 0.106 0.000 2.433 65 D HA 0.184 4.825 4.640 0.002 0.000 0.255 65 D C 0.973 177.307 176.300 0.056 0.000 1.226 65 D CA -0.082 53.956 54.000 0.063 0.000 1.015 65 D CB 1.098 41.930 40.800 0.052 0.000 1.091 65 D HN 0.612 nan 8.370 nan 0.000 0.527 66 A N -0.182 122.670 122.820 0.054 0.000 2.125 66 A HA -0.100 4.221 4.320 0.002 0.000 0.219 66 A C 1.944 179.552 177.584 0.040 0.000 1.156 66 A CA 1.945 54.011 52.037 0.048 0.000 0.671 66 A CB -0.747 18.300 19.000 0.079 0.000 0.794 66 A HN 0.611 nan 8.150 nan 0.000 0.459 67 S N -2.923 112.808 115.700 0.052 0.000 2.540 67 S HA 0.430 4.901 4.470 0.002 0.000 0.218 67 S C 1.229 175.837 174.600 0.013 0.000 0.977 67 S CA 1.000 59.224 58.200 0.040 0.000 0.918 67 S CB 0.154 63.395 63.200 0.068 0.000 0.806 67 S HN 1.815 nan 8.310 nan 0.000 0.496 68 G N 1.343 110.154 108.800 0.019 0.000 2.163 68 G HA2 -0.170 3.791 3.960 0.002 0.000 0.213 68 G HA3 -0.170 3.791 3.960 0.002 0.000 0.213 68 G C -0.180 174.811 174.900 0.151 0.000 0.991 68 G CA -0.369 44.730 45.100 -0.001 0.000 0.653 68 G HN 0.458 nan 8.290 nan 0.000 0.518 69 K N 1.613 122.096 120.400 0.139 0.000 2.350 69 K HA 0.350 4.671 4.320 0.002 0.000 0.279 69 K C -2.369 174.320 176.600 0.148 0.000 1.027 69 K CA -1.419 54.948 56.287 0.133 0.000 0.969 69 K CB 1.354 33.895 32.500 0.068 0.000 0.954 69 K HN 0.207 nan 8.250 nan 0.000 0.474 70 P HA 0.122 nan 4.420 nan 0.000 0.275 70 P C 0.219 177.419 177.300 -0.165 0.000 1.228 70 P CA -0.130 62.837 63.100 -0.222 0.000 0.786 70 P CB 0.703 32.296 31.700 -0.180 0.000 0.927 71 L N 1.521 122.603 121.223 -0.234 0.000 2.609 71 L HA 0.162 4.503 4.340 0.002 0.000 0.230 71 L C 1.142 177.939 176.870 -0.121 0.000 1.087 71 L CA 0.124 54.885 54.840 -0.132 0.000 0.874 71 L CB 0.222 42.219 42.059 -0.103 0.000 1.114 71 L HN 0.252 nan 8.230 nan 0.000 0.488 72 V N -3.219 116.592 119.914 -0.172 0.000 3.105 72 V HA 0.723 4.844 4.120 0.002 0.000 0.311 72 V C -1.477 174.546 176.094 -0.119 0.000 1.287 72 V CA -0.740 61.489 62.300 -0.119 0.000 1.066 72 V CB 2.419 34.178 31.823 -0.108 0.000 1.105 72 V HN 0.036 nan 8.190 nan 0.000 0.462 73 E N 0.457 120.614 120.200 -0.072 0.000 2.321 73 E HA 0.463 4.814 4.350 0.002 0.000 0.281 73 E C -1.754 174.836 176.600 -0.018 0.000 0.910 73 E CA -0.425 55.951 56.400 -0.040 0.000 0.770 73 E CB 1.766 31.459 29.700 -0.012 0.000 1.225 73 E HN 0.788 nan 8.360 nan 0.000 0.417 74 N N 2.307 121.000 118.700 -0.011 0.000 2.457 74 N HA 0.251 4.992 4.740 0.002 0.000 0.250 74 N C -1.231 174.361 175.510 0.137 0.000 0.982 74 N CA -0.209 52.852 53.050 0.019 0.000 0.941 74 N CB 1.763 40.184 38.487 -0.110 0.000 1.120 74 N HN 0.437 nan 8.380 nan 0.000 0.505 75 T N 1.985 116.647 114.554 0.181 0.000 2.859 75 T HA 0.517 4.868 4.350 0.002 0.000 0.281 75 T C -0.213 174.615 174.700 0.214 0.000 1.005 75 T CA -0.612 61.586 62.100 0.164 0.000 1.025 75 T CB 0.585 69.510 68.868 0.096 0.000 0.977 75 T HN 0.268 nan 8.240 nan 0.000 0.458 76 L N 5.440 126.748 121.223 0.141 0.000 2.289 76 L HA 0.584 4.925 4.340 0.002 0.000 0.285 76 L C 0.213 177.084 176.870 0.001 0.000 1.049 76 L CA -0.495 54.379 54.840 0.056 0.000 0.804 76 L CB 0.793 42.880 42.059 0.045 0.000 1.195 76 L HN 0.731 nan 8.230 nan 0.000 0.428 77 K N 3.258 123.625 120.400 -0.055 0.000 2.352 77 K HA 0.579 4.900 4.320 0.002 0.000 0.240 77 K C -1.277 175.278 176.600 -0.075 0.000 1.017 77 K CA -1.116 55.145 56.287 -0.044 0.000 0.851 77 K CB 1.663 34.151 32.500 -0.021 0.000 1.261 77 K HN 0.345 nan 8.250 nan 0.000 0.451 78 Q N 0.771 120.541 119.800 -0.049 0.000 2.274 78 Q HA 0.519 4.860 4.340 0.002 0.000 0.260 78 Q C -1.031 174.943 176.000 -0.042 0.000 0.974 78 Q CA -1.047 54.725 55.803 -0.053 0.000 0.876 78 Q CB 2.293 31.010 28.738 -0.035 0.000 1.297 78 Q HN 0.391 nan 8.270 nan 0.000 0.446 79 V N 1.499 121.384 119.914 -0.048 0.000 3.012 79 V HA 0.260 4.381 4.120 0.002 0.000 0.307 79 V C -0.628 175.453 176.094 -0.022 0.000 1.166 79 V CA -0.828 61.452 62.300 -0.034 0.000 0.974 79 V CB 2.701 34.493 31.823 -0.051 0.000 1.040 79 V HN 0.543 nan 8.190 nan 0.000 0.428 80 V N 3.113 123.025 119.914 -0.003 0.000 2.455 80 V HA 0.370 4.491 4.120 0.002 0.000 0.273 80 V C 0.445 176.552 176.094 0.021 0.000 1.045 80 V CA 0.261 62.566 62.300 0.009 0.000 0.976 80 V CB 1.240 33.075 31.823 0.020 0.000 0.993 80 V HN 0.882 nan 8.190 nan 0.000 0.475 81 S N 4.638 120.356 115.700 0.030 0.000 2.537 81 S HA 0.712 5.183 4.470 0.002 0.000 0.301 81 S C -0.887 173.793 174.600 0.134 0.000 1.092 81 S CA -0.376 57.853 58.200 0.048 0.000 1.048 81 S CB 1.371 64.572 63.200 0.002 0.000 1.053 81 S HN 0.552 nan 8.310 nan 0.000 0.501 82 F N 2.158 122.082 119.950 -0.044 0.000 2.477 82 F HA 0.490 5.017 4.527 0.002 0.000 0.335 82 F C -0.283 175.491 175.800 -0.043 0.000 1.130 82 F CA -0.427 57.545 58.000 -0.047 0.000 0.948 82 F CB 1.441 40.403 39.000 -0.063 0.000 1.154 82 F HN 0.376 nan 8.300 nan 0.000 0.439 83 T N 6.892 121.057 114.554 -0.647 0.000 2.756 83 T HA 0.370 4.721 4.350 0.002 0.000 0.290 83 T C -0.313 173.799 174.700 -0.981 0.000 0.985 83 T CA -0.519 61.232 62.100 -0.582 0.000 0.955 83 T CB 0.672 69.377 68.868 -0.272 0.000 0.930 83 T HN 0.605 nan 8.240 nan 0.000 0.451 84 R N 2.193 122.213 120.500 -0.800 0.000 2.457 84 R HA 0.559 4.899 4.340 0.002 0.000 0.284 84 R C -0.128 175.901 176.300 -0.453 0.000 1.024 84 R CA -0.401 55.282 56.100 -0.694 0.000 1.025 84 R CB 0.955 31.029 30.300 -0.376 0.000 1.063 84 R HN 0.597 nan 8.270 nan 0.000 0.493 85 S N 1.366 116.847 115.700 -0.365 0.000 2.549 85 S HA 0.091 4.562 4.470 0.002 0.000 0.297 85 S C 0.990 175.336 174.600 -0.423 0.000 1.115 85 S CA -0.947 57.012 58.200 -0.402 0.000 1.059 85 S CB 0.998 64.087 63.200 -0.184 0.000 1.046 85 S HN 0.818 nan 8.310 nan 0.000 0.506 86 N N 4.051 122.383 118.700 -0.613 0.000 2.519 86 N HA -0.108 4.633 4.740 0.002 0.000 0.186 86 N C 0.705 176.110 175.510 -0.175 0.000 1.062 86 N CA 0.975 53.796 53.050 -0.382 0.000 0.910 86 N CB -0.181 38.103 38.487 -0.338 0.000 0.958 86 N HN 0.631 nan 8.380 nan 0.000 0.445 87 K N -0.484 119.835 120.400 -0.135 0.000 2.354 87 K HA 0.253 4.574 4.320 0.002 0.000 0.194 87 K C 0.252 176.825 176.600 -0.045 0.000 1.038 87 K CA -0.233 56.017 56.287 -0.061 0.000 1.052 87 K CB 0.262 32.748 32.500 -0.024 0.000 0.861 87 K HN 0.149 nan 8.250 nan 0.000 0.535 88 M N 2.794 122.363 119.600 -0.053 0.000 2.356 88 M HA -0.035 4.446 4.480 0.002 0.000 0.348 88 M C 0.592 176.878 176.300 -0.023 0.000 1.595 88 M CA 0.329 55.618 55.300 -0.018 0.000 1.095 88 M CB 0.364 32.973 32.600 0.014 0.000 1.963 88 M HN 0.140 nan 8.290 nan 0.000 0.459 89 T N 0.570 115.118 114.554 -0.010 0.000 2.698 89 T HA 0.370 4.721 4.350 0.002 0.000 0.295 89 T C 1.262 175.966 174.700 0.008 0.000 1.007 89 T CA -0.369 61.724 62.100 -0.011 0.000 0.980 89 T CB 0.903 69.767 68.868 -0.007 0.000 1.036 89 T HN 0.685 nan 8.240 nan 0.000 0.526 90 A N 0.314 123.149 122.820 0.025 0.000 1.969 90 A HA 0.031 4.352 4.320 0.002 0.000 0.218 90 A C 2.468 180.153 177.584 0.169 0.000 1.169 90 A CA 1.730 53.846 52.037 0.133 0.000 0.635 90 A CB -1.608 17.478 19.000 0.143 0.000 0.810 90 A HN 0.900 nan 8.150 nan 0.000 0.445 91 T N 0.476 115.063 114.554 0.056 0.000 2.737 91 T HA -0.114 4.237 4.350 0.002 0.000 0.265 91 T C 1.435 176.163 174.700 0.046 0.000 1.038 91 T CA 1.442 63.560 62.100 0.030 0.000 1.144 91 T CB -0.408 68.456 68.868 -0.007 0.000 0.866 91 T HN 0.475 nan 8.240 nan 0.000 0.434 92 D N 1.111 121.533 120.400 0.036 0.000 2.182 92 D HA -0.061 4.580 4.640 0.002 0.000 0.201 92 D C 1.935 178.259 176.300 0.039 0.000 0.986 92 D CA 0.648 54.669 54.000 0.035 0.000 0.847 92 D CB -0.275 40.542 40.800 0.029 0.000 0.942 92 D HN 0.190 nan 8.370 nan 0.000 0.467 93 L N 1.010 122.257 121.223 0.040 0.000 2.056 93 L HA -0.082 4.259 4.340 0.002 0.000 0.207 93 L C 2.210 179.138 176.870 0.097 0.000 1.078 93 L CA 1.438 56.264 54.840 -0.024 0.000 0.749 93 L CB -0.589 41.341 42.059 -0.216 0.000 0.901 93 L HN -0.049 nan 8.230 nan 0.000 0.433 94 K N -0.622 119.927 120.400 0.250 0.000 2.097 94 K HA -0.146 4.175 4.320 0.002 0.000 0.206 94 K C 1.880 178.548 176.600 0.114 0.000 1.049 94 K CA 0.993 57.425 56.287 0.241 0.000 0.933 94 K CB -0.032 32.536 32.500 0.113 0.000 0.717 94 K HN 0.298 nan 8.250 nan 0.000 0.442 95 E N 0.908 121.149 120.200 0.069 0.000 2.110 95 E HA -0.155 4.196 4.350 0.002 0.000 0.193 95 E C 2.075 178.697 176.600 0.037 0.000 0.988 95 E CA 1.000 57.428 56.400 0.046 0.000 0.804 95 E CB -0.212 29.510 29.700 0.036 0.000 0.745 95 E HN 0.374 nan 8.360 nan 0.000 0.458 96 I N 1.145 121.726 120.570 0.019 0.000 2.315 96 I HA -0.213 3.958 4.170 0.002 0.000 0.248 96 I C 2.499 178.598 176.117 -0.030 0.000 1.117 96 I CA 0.896 62.189 61.300 -0.012 0.000 1.404 96 I CB -0.304 37.659 38.000 -0.062 0.000 1.071 96 I HN -0.010 nan 8.210 nan 0.000 0.419 97 A N 1.838 124.644 122.820 -0.023 0.000 1.877 97 A HA -0.234 4.087 4.320 0.002 0.000 0.216 97 A C 2.358 179.956 177.584 0.023 0.000 1.186 97 A CA 2.052 54.083 52.037 -0.009 0.000 0.620 97 A CB -0.523 18.518 19.000 0.070 0.000 0.822 97 A HN 0.515 nan 8.150 nan 0.000 0.443 98 K N -1.227 119.198 120.400 0.041 0.000 2.305 98 K HA 0.010 4.331 4.320 0.002 0.000 0.199 98 K C 1.461 178.072 176.600 0.019 0.000 1.047 98 K CA 0.883 57.188 56.287 0.030 0.000 0.976 98 K CB -0.093 32.430 32.500 0.038 0.000 0.765 98 K HN 0.150 nan 8.250 nan 0.000 0.474 99 K N 1.050 121.473 120.400 0.037 0.000 2.097 99 K HA -0.092 4.229 4.320 0.002 0.000 0.206 99 K C 2.072 178.736 176.600 0.107 0.000 1.049 99 K CA 0.779 57.105 56.287 0.064 0.000 0.933 99 K CB -0.262 32.295 32.500 0.095 0.000 0.717 99 K HN 0.166 nan 8.250 nan 0.000 0.442 100 L N 1.101 122.381 121.223 0.096 0.000 2.156 100 L HA -0.070 4.270 4.340 0.002 0.000 0.208 100 L C 2.039 178.965 176.870 0.093 0.000 1.095 100 L CA 1.040 55.961 54.840 0.136 0.000 0.770 100 L CB -0.490 41.604 42.059 0.057 0.000 0.914 100 L HN 0.009 nan 8.230 nan 0.000 0.439 101 L N -0.391 120.848 121.223 0.028 0.000 2.191 101 L HA -0.159 4.182 4.340 0.002 0.000 0.212 101 L C 2.489 179.321 176.870 -0.063 0.000 1.103 101 L CA 2.263 57.104 54.840 0.001 0.000 0.769 101 L CB -1.131 40.925 42.059 -0.004 0.000 0.908 101 L HN 0.602 nan 8.230 nan 0.000 0.438 102 T N -4.123 110.331 114.554 -0.167 0.000 2.881 102 T HA -0.209 4.142 4.350 0.002 0.000 0.270 102 T C 1.502 175.938 174.700 -0.440 0.000 1.068 102 T CA 1.615 63.491 62.100 -0.374 0.000 1.131 102 T CB -0.603 67.911 68.868 -0.589 0.000 0.871 102 T HN 0.416 nan 8.240 nan 0.000 0.479 103 Y N 1.244 121.549 120.300 0.007 0.000 2.462 103 Y HA 0.492 5.043 4.550 0.002 0.000 0.253 103 Y C 1.158 177.063 175.900 0.008 0.000 1.095 103 Y CA -0.881 57.223 58.100 0.007 0.000 1.283 103 Y CB 0.468 38.932 38.460 0.007 0.000 1.138 103 Y HN 0.285 nan 8.280 nan 0.000 0.522 104 V N -3.594 116.387 119.914 0.111 0.000 3.126 104 V HA 0.736 4.857 4.120 0.002 0.000 0.314 104 V C -0.235 175.885 176.094 0.043 0.000 1.138 104 V CA -1.087 61.261 62.300 0.080 0.000 1.034 104 V CB 1.951 33.823 31.823 0.082 0.000 1.075 104 V HN -0.174 nan 8.190 nan 0.000 0.442 105 S N 2.133 117.856 115.700 0.037 0.000 2.449 105 S HA 0.762 5.233 4.470 0.002 0.000 0.310 105 S C -0.753 173.856 174.600 0.015 0.000 1.096 105 S CA -0.415 57.795 58.200 0.016 0.000 1.095 105 S CB 0.909 64.115 63.200 0.008 0.000 1.007 105 S HN 0.600 nan 8.310 nan 0.000 0.474 106 I N 4.089 124.656 120.570 -0.005 0.000 2.464 106 I HA 0.235 4.406 4.170 0.002 0.000 0.277 106 I C 1.162 177.223 176.117 -0.093 0.000 1.040 106 I CA -0.239 61.032 61.300 -0.048 0.000 1.153 106 I CB 0.633 38.629 38.000 -0.007 0.000 1.274 106 I HN 0.707 nan 8.210 nan 0.000 0.469 107 S N 2.603 118.241 115.700 -0.104 0.000 2.460 107 S HA 0.137 4.608 4.470 0.002 0.000 0.226 107 S C 0.840 175.365 174.600 -0.126 0.000 1.057 107 S CA -0.045 58.100 58.200 -0.092 0.000 0.948 107 S CB 0.182 63.346 63.200 -0.059 0.000 0.822 107 S HN 0.426 nan 8.310 nan 0.000 0.512 108 S N 4.327 119.927 115.700 -0.167 0.000 2.543 108 S HA 0.512 4.983 4.470 0.002 0.000 0.299 108 S C -2.737 171.676 174.600 -0.311 0.000 1.125 108 S CA -0.866 57.226 58.200 -0.180 0.000 1.098 108 S CB 0.716 63.837 63.200 -0.132 0.000 1.063 108 S HN 0.429 nan 8.310 nan 0.000 0.493 109 P HA 0.422 nan 4.420 nan 0.000 0.284 109 P C -1.159 176.044 177.300 -0.163 0.000 1.459 109 P CA -0.617 62.279 63.100 -0.341 0.000 0.982 109 P CB 0.275 31.839 31.700 -0.226 0.000 1.184 110 N N 2.961 121.589 118.700 -0.120 0.000 2.817 110 N HA 0.274 5.015 4.740 0.002 0.000 0.234 110 N C -0.515 175.025 175.510 0.051 0.000 1.066 110 N CA -0.449 52.590 53.050 -0.019 0.000 0.926 110 N CB 0.450 38.932 38.487 -0.009 0.000 1.176 110 N HN 0.239 nan 8.380 nan 0.000 0.506 111 L N 1.553 122.804 121.223 0.048 0.000 2.290 111 L HA 0.306 4.647 4.340 0.002 0.000 0.284 111 L C 1.216 178.122 176.870 0.060 0.000 1.078 111 L CA -0.658 54.224 54.840 0.071 0.000 0.815 111 L CB 0.663 42.749 42.059 0.045 0.000 1.162 111 L HN 0.389 nan 8.230 nan 0.000 0.435 112 T N -1.360 113.235 114.554 0.068 0.000 2.899 112 T HA 0.151 4.501 4.350 0.002 0.000 0.295 112 T C 0.878 175.617 174.700 0.065 0.000 1.033 112 T CA -0.618 61.518 62.100 0.060 0.000 1.084 112 T CB 1.284 70.187 68.868 0.059 0.000 0.979 112 T HN 0.631 nan 8.240 nan 0.000 0.532 113 E N 0.594 120.829 120.200 0.058 0.000 2.204 113 E HA -0.036 4.315 4.350 0.002 0.000 0.194 113 E C 2.156 178.804 176.600 0.079 0.000 0.989 113 E CA 0.677 57.115 56.400 0.063 0.000 0.824 113 E CB -0.156 29.572 29.700 0.047 0.000 0.756 113 E HN 0.671 nan 8.360 nan 0.000 0.477 114 R N 1.212 121.759 120.500 0.078 0.000 2.075 114 R HA -0.109 4.232 4.340 0.002 0.000 0.232 114 R C 1.863 178.231 176.300 0.114 0.000 1.126 114 R CA 1.652 57.807 56.100 0.091 0.000 0.963 114 R CB -0.261 30.085 30.300 0.077 0.000 0.858 114 R HN 0.205 nan 8.270 nan 0.000 0.435 115 Q N -0.102 119.763 119.800 0.108 0.000 2.096 115 Q HA -0.126 4.215 4.340 0.002 0.000 0.204 115 Q C 2.119 178.202 176.000 0.138 0.000 0.982 115 Q CA 1.816 57.697 55.803 0.130 0.000 0.850 115 Q CB -0.180 28.622 28.738 0.107 0.000 0.901 115 Q HN 0.340 nan 8.270 nan 0.000 0.422 116 L N -0.181 121.114 121.223 0.120 0.000 2.141 116 L HA -0.133 4.208 4.340 0.002 0.000 0.209 116 L C 2.340 179.346 176.870 0.226 0.000 1.094 116 L CA 0.846 55.776 54.840 0.151 0.000 0.763 116 L CB -0.347 41.798 42.059 0.143 0.000 0.908 116 L HN 0.205 nan 8.230 nan 0.000 0.437 117 A N -0.682 122.252 122.820 0.190 0.000 1.930 117 A HA -0.146 4.175 4.320 0.002 0.000 0.215 117 A C 1.882 179.610 177.584 0.240 0.000 1.176 117 A CA 1.238 53.411 52.037 0.227 0.000 0.632 117 A CB -0.307 18.795 19.000 0.169 0.000 0.819 117 A HN 0.265 nan 8.150 nan 0.000 0.445 118 D N -1.131 119.387 120.400 0.196 0.000 2.087 118 D HA -0.192 4.449 4.640 0.002 0.000 0.192 118 D C 1.692 178.050 176.300 0.096 0.000 0.993 118 D CA 1.732 55.844 54.000 0.186 0.000 0.828 118 D CB -0.562 40.390 40.800 0.254 0.000 0.968 118 D HN 0.550 nan 8.370 nan 0.000 0.448 119 Y N 0.048 120.267 120.300 -0.135 0.000 2.165 119 Y HA -0.337 4.213 4.550 0.002 0.000 0.286 119 Y C 2.340 178.116 175.900 -0.207 0.000 1.155 119 Y CA 1.638 59.437 58.100 -0.501 0.000 1.164 119 Y CB -0.514 37.658 38.460 -0.480 0.000 0.978 119 Y HN 0.041 nan 8.280 nan 0.000 0.513 120 Y N 0.232 120.536 120.300 0.006 0.000 2.242 120 Y HA -0.191 4.360 4.550 0.002 0.000 0.291 120 Y C 1.842 177.718 175.900 -0.040 0.000 1.137 120 Y CA 1.785 59.907 58.100 0.037 0.000 1.181 120 Y CB -0.478 38.084 38.460 0.170 0.000 0.989 120 Y HN 0.155 nan 8.280 nan 0.000 0.527 121 L N -0.248 120.935 121.223 -0.066 0.000 2.478 121 L HA -0.023 4.318 4.340 0.002 0.000 0.223 121 L C 2.609 179.398 176.870 -0.134 0.000 1.140 121 L CA 0.604 55.401 54.840 -0.071 0.000 0.842 121 L CB -0.816 41.326 42.059 0.137 0.000 0.953 121 L HN 0.300 nan 8.230 nan 0.000 0.452 122 A N -0.581 122.104 122.820 -0.225 0.000 2.024 122 A HA -0.215 4.106 4.320 0.002 0.000 0.220 122 A C 1.129 178.595 177.584 -0.198 0.000 1.164 122 A CA 1.044 52.949 52.037 -0.220 0.000 0.643 122 A CB -0.449 18.307 19.000 -0.406 0.000 0.806 122 A HN 0.341 nan 8.150 nan 0.000 0.451 123 D N -0.604 119.648 120.400 -0.246 0.000 2.371 123 D HA 0.179 4.820 4.640 0.002 0.000 0.256 123 D C -1.583 174.667 176.300 -0.084 0.000 1.193 123 D CA -1.967 51.929 54.000 -0.173 0.000 0.881 123 D CB 1.122 41.797 40.800 -0.208 0.000 1.143 123 D HN 0.019 nan 8.370 nan 0.000 0.473 124 P HA -0.165 nan 4.420 nan 0.000 0.215 124 P C 1.177 178.503 177.300 0.044 0.000 1.157 124 P CA 1.056 64.172 63.100 0.026 0.000 0.874 124 P CB 0.289 31.995 31.700 0.010 0.000 0.790 125 E N -0.366 119.830 120.200 -0.007 0.000 2.031 125 E HA -0.167 4.184 4.350 0.002 0.000 0.193 125 E C 1.964 178.540 176.600 -0.040 0.000 0.994 125 E CA 1.176 57.564 56.400 -0.020 0.000 0.800 125 E CB -0.364 29.318 29.700 -0.030 0.000 0.752 125 E HN -0.005 nan 8.360 nan 0.000 0.447 126 I N 0.862 121.383 120.570 -0.082 0.000 2.248 126 I HA -0.280 3.891 4.170 0.002 0.000 0.248 126 I C 2.438 178.505 176.117 -0.084 0.000 1.107 126 I CA 1.313 62.526 61.300 -0.145 0.000 1.373 126 I CB -1.315 36.472 38.000 -0.354 0.000 1.055 126 I HN 0.305 nan 8.210 nan 0.000 0.418 127 Y N 2.059 122.277 120.300 -0.136 0.000 2.200 127 Y HA -0.255 4.295 4.550 0.002 0.000 0.290 127 Y C 2.715 178.595 175.900 -0.033 0.000 1.137 127 Y CA 2.128 60.185 58.100 -0.073 0.000 1.163 127 Y CB -0.293 38.136 38.460 -0.051 0.000 0.988 127 Y HN 0.099 nan 8.280 nan 0.000 0.518 128 K N 0.546 120.867 120.400 -0.132 0.000 1.985 128 K HA -0.238 4.083 4.320 0.002 0.000 0.210 128 K C 2.340 178.835 176.600 -0.174 0.000 1.047 128 K CA 1.843 58.021 56.287 -0.182 0.000 0.932 128 K CB -0.358 32.107 32.500 -0.059 0.000 0.716 128 K HN 0.200 nan 8.250 nan 0.000 0.439 129 K N -0.021 120.316 120.400 -0.105 0.000 2.160 129 K HA -0.163 4.158 4.320 0.002 0.000 0.206 129 K C 2.010 178.562 176.600 -0.079 0.000 1.047 129 K CA 2.034 58.275 56.287 -0.076 0.000 0.930 129 K CB -0.172 32.301 32.500 -0.045 0.000 0.720 129 K HN 0.523 nan 8.250 nan 0.000 0.450 130 T N -2.400 112.095 114.554 -0.099 0.000 3.043 130 T HA -0.011 4.340 4.350 0.002 0.000 0.263 130 T C 1.733 176.366 174.700 -0.113 0.000 1.094 130 T CA 0.733 62.799 62.100 -0.056 0.000 1.127 130 T CB 0.277 69.162 68.868 0.028 0.000 0.905 130 T HN 0.032 nan 8.240 nan 0.000 0.490 131 V N 1.407 121.183 119.914 -0.230 0.000 2.535 131 V HA -0.016 4.105 4.120 0.002 0.000 0.246 131 V C 2.473 178.465 176.094 -0.171 0.000 1.045 131 V CA 1.555 63.713 62.300 -0.237 0.000 1.058 131 V CB -0.338 31.260 31.823 -0.375 0.000 0.689 131 V HN 0.392 nan 8.190 nan 0.000 0.461 132 E N 1.117 121.227 120.200 -0.150 0.000 2.273 132 E HA -0.156 4.195 4.350 0.002 0.000 0.198 132 E C 1.706 178.258 176.600 -0.080 0.000 1.002 132 E CA 1.410 57.746 56.400 -0.107 0.000 0.828 132 E CB -0.459 29.191 29.700 -0.083 0.000 0.747 132 E HN 0.657 nan 8.360 nan 0.000 0.491 133 A N 0.561 123.339 122.820 -0.070 0.000 2.507 133 A HA 0.304 4.625 4.320 0.002 0.000 0.270 133 A C 0.721 178.282 177.584 -0.039 0.000 1.318 133 A CA -0.254 51.757 52.037 -0.043 0.000 0.924 133 A CB -0.031 18.955 19.000 -0.024 0.000 1.061 133 A HN 0.019 nan 8.150 nan 0.000 0.516 134 L N 0.591 121.780 121.223 -0.056 0.000 2.416 134 L HA 0.465 4.806 4.340 0.002 0.000 0.263 134 L C -1.428 175.417 176.870 -0.042 0.000 1.065 134 L CA -1.721 53.091 54.840 -0.045 0.000 0.798 134 L CB 0.587 42.609 42.059 -0.062 0.000 1.267 134 L HN 0.303 nan 8.230 nan 0.000 0.467 150 S N 2.603 118.081 115.700 -0.370 0.000 2.381 150 S HA -0.268 4.203 4.470 0.002 0.000 0.230 150 S C 1.475 175.998 174.600 -0.128 0.000 1.052 150 S CA 1.876 60.005 58.200 -0.119 0.000 1.068 150 S CB -0.051 63.170 63.200 0.035 0.000 0.918 150 S HN 0.702 nan 8.310 nan 0.000 0.448 151 E N 0.070 120.179 120.200 -0.151 0.000 2.153 151 E HA -0.146 4.205 4.350 0.002 0.000 0.194 151 E C 1.915 178.460 176.600 -0.093 0.000 0.988 151 E CA 0.814 57.164 56.400 -0.084 0.000 0.811 151 E CB -0.080 29.578 29.700 -0.070 0.000 0.746 151 E HN 0.329 nan 8.360 nan 0.000 0.466 152 L N 0.277 121.361 121.223 -0.231 0.000 2.131 152 L HA -0.088 4.253 4.340 0.002 0.000 0.206 152 L C 1.874 178.742 176.870 -0.003 0.000 1.087 152 L CA 1.166 55.910 54.840 -0.159 0.000 0.767 152 L CB -0.491 41.422 42.059 -0.243 0.000 0.917 152 L HN 0.196 nan 8.230 nan 0.000 0.441 153 Y N -1.483 118.862 120.300 0.075 0.000 2.337 153 Y HA -0.090 4.461 4.550 0.002 0.000 0.293 153 Y C 2.479 178.463 175.900 0.140 0.000 1.123 153 Y CA 0.598 58.748 58.100 0.082 0.000 1.201 153 Y CB -1.340 37.160 38.460 0.065 0.000 1.011 153 Y HN 0.303 nan 8.280 nan 0.000 0.545 154 N N 0.942 119.819 118.700 0.296 0.000 2.043 154 N HA -0.204 4.537 4.740 0.002 0.000 0.193 154 N C 1.402 177.032 175.510 0.199 0.000 1.037 154 N CA 1.859 55.079 53.050 0.284 0.000 0.851 154 N CB -0.370 38.206 38.487 0.149 0.000 1.027 154 N HN 0.136 nan 8.380 nan 0.000 0.422 155 N N -0.173 118.607 118.700 0.132 0.000 2.223 155 N HA -0.041 4.700 4.740 0.002 0.000 0.185 155 N C 1.374 176.953 175.510 0.115 0.000 1.016 155 N CA 1.230 54.343 53.050 0.104 0.000 0.863 155 N CB -0.507 38.022 38.487 0.069 0.000 0.983 155 N HN 0.459 nan 8.380 nan 0.000 0.429 156 A N 0.027 122.932 122.820 0.141 0.000 1.872 156 A HA -0.011 4.310 4.320 0.002 0.000 0.214 156 A C 2.392 180.045 177.584 0.114 0.000 1.187 156 A CA 0.986 53.100 52.037 0.127 0.000 0.614 156 A CB -0.735 18.360 19.000 0.157 0.000 0.826 156 A HN 0.079 nan 8.150 nan 0.000 0.442 157 V N 0.675 120.672 119.914 0.139 0.000 2.332 157 V HA -0.284 3.837 4.120 0.002 0.000 0.248 157 V C 2.221 178.403 176.094 0.148 0.000 1.055 157 V CA 2.478 64.852 62.300 0.125 0.000 1.038 157 V CB -0.959 30.945 31.823 0.135 0.000 0.651 157 V HN 0.521 nan 8.190 nan 0.000 0.450 158 D N 0.242 120.741 120.400 0.165 0.000 2.133 158 D HA -0.171 4.470 4.640 0.002 0.000 0.192 158 D C 2.318 178.684 176.300 0.109 0.000 1.001 158 D CA 1.998 56.085 54.000 0.146 0.000 0.844 158 D CB -0.220 40.657 40.800 0.129 0.000 0.944 158 D HN 0.391 nan 8.370 nan 0.000 0.447 159 S N -0.910 114.843 115.700 0.089 0.000 2.515 159 S HA -0.021 4.450 4.470 0.002 0.000 0.231 159 S C 1.861 176.494 174.600 0.056 0.000 0.987 159 S CA 0.046 58.286 58.200 0.066 0.000 0.936 159 S CB 0.312 63.546 63.200 0.057 0.000 0.766 159 S HN 0.093 nan 8.310 nan 0.000 0.528 160 V N 1.978 121.932 119.914 0.066 0.000 3.406 160 V HA 0.083 4.204 4.120 0.002 0.000 0.263 160 V C -2.060 174.061 176.094 0.046 0.000 1.172 160 V CA 0.288 62.619 62.300 0.052 0.000 1.140 160 V CB -0.780 31.075 31.823 0.053 0.000 0.784 160 V HN 0.352 nan 8.190 nan 0.000 0.467 161 P HA 0.310 nan 4.420 nan 0.000 0.303 161 P C -0.475 176.801 177.300 -0.040 0.000 1.350 161 P CA -0.103 63.000 63.100 0.005 0.000 0.880 161 P CB 1.060 32.782 31.700 0.037 0.000 1.018 162 T N -0.693 113.815 114.554 -0.076 0.000 2.775 162 T HA 0.074 4.425 4.350 0.002 0.000 0.281 162 T C 0.944 175.585 174.700 -0.098 0.000 0.908 162 T CA -0.209 61.848 62.100 -0.071 0.000 1.123 162 T CB -0.717 68.107 68.868 -0.073 0.000 0.879 162 T HN 0.222 nan 8.240 nan 0.000 0.547 163 S N 2.661 118.329 115.700 -0.053 0.000 2.711 163 S HA -0.046 4.425 4.470 0.002 0.000 0.237 163 S C 0.936 175.512 174.600 -0.039 0.000 0.971 163 S CA 0.324 58.503 58.200 -0.035 0.000 0.964 163 S CB -0.307 62.898 63.200 0.010 0.000 0.775 163 S HN 0.649 nan 8.310 nan 0.000 0.540 164 Q N 1.385 121.146 119.800 -0.066 0.000 3.135 164 Q HA 0.418 4.759 4.340 0.002 0.000 0.344 164 Q C -0.422 175.503 176.000 -0.125 0.000 1.321 164 Q CA 0.084 55.844 55.803 -0.072 0.000 1.050 164 Q CB -0.145 28.560 28.738 -0.055 0.000 1.498 164 Q HN 0.430 nan 8.270 nan 0.000 0.503 165 L N -0.333 120.786 121.223 -0.173 0.000 2.469 165 L HA 0.426 4.767 4.340 0.002 0.000 0.253 165 L C 0.432 177.097 176.870 -0.341 0.000 1.143 165 L CA -0.902 53.750 54.840 -0.313 0.000 0.804 165 L CB 0.523 42.313 42.059 -0.449 0.000 1.214 165 L HN 0.149 nan 8.230 nan 0.000 0.476 166 N N -0.372 118.054 118.700 -0.457 0.000 2.511 166 N HA 0.317 5.058 4.740 0.002 0.000 0.249 166 N C -1.852 173.432 175.510 -0.378 0.000 0.971 166 N CA -0.302 52.558 53.050 -0.317 0.000 0.938 166 N CB 0.375 38.757 38.487 -0.176 0.000 1.131 166 N HN 0.294 nan 8.380 nan 0.000 0.505 167 Y N 1.388 121.679 120.300 -0.014 0.000 2.326 167 Y HA 0.275 4.826 4.550 0.002 0.000 0.331 167 Y C 0.841 176.725 175.900 -0.026 0.000 0.962 167 Y CA -1.013 57.075 58.100 -0.019 0.000 1.167 167 Y CB 1.117 39.548 38.460 -0.047 0.000 1.148 167 Y HN 0.448 nan 8.280 nan 0.000 0.463 168 T N -0.967 113.676 114.554 0.148 0.000 2.724 168 T HA -0.006 4.345 4.350 0.002 0.000 0.324 168 T C 1.083 175.815 174.700 0.052 0.000 1.071 168 T CA -0.403 61.740 62.100 0.072 0.000 1.061 168 T CB 0.865 69.765 68.868 0.053 0.000 0.990 168 T HN 0.586 nan 8.240 nan 0.000 0.543 169 E N 0.700 120.912 120.200 0.020 0.000 2.152 169 E HA -0.077 4.274 4.350 0.002 0.000 0.192 169 E C 1.789 178.378 176.600 -0.019 0.000 0.983 169 E CA 0.994 57.393 56.400 -0.003 0.000 0.818 169 E CB -0.324 29.370 29.700 -0.010 0.000 0.758 169 E HN 0.682 nan 8.360 nan 0.000 0.467 170 D N 0.931 121.324 120.400 -0.012 0.000 2.097 170 D HA -0.130 4.511 4.640 0.002 0.000 0.197 170 D C 1.864 178.141 176.300 -0.038 0.000 0.984 170 D CA 0.836 54.824 54.000 -0.020 0.000 0.826 170 D CB -0.202 40.592 40.800 -0.009 0.000 0.973 170 D HN 0.234 nan 8.370 nan 0.000 0.460 171 E N 0.684 120.866 120.200 -0.030 0.000 2.086 171 E HA -0.215 4.136 4.350 0.002 0.000 0.200 171 E C 1.814 178.278 176.600 -0.227 0.000 1.012 171 E CA 1.226 57.570 56.400 -0.094 0.000 0.812 171 E CB 0.121 29.825 29.700 0.006 0.000 0.743 171 E HN 0.157 nan 8.360 nan 0.000 0.453 172 K N 0.073 120.380 120.400 -0.154 0.000 2.218 172 K HA -0.189 4.131 4.320 0.002 0.000 0.205 172 K C 1.972 178.496 176.600 -0.126 0.000 1.046 172 K CA 1.212 57.395 56.287 -0.173 0.000 0.933 172 K CB -0.001 32.452 32.500 -0.079 0.000 0.728 172 K HN 0.092 nan 8.250 nan 0.000 0.454 173 K N 0.641 120.991 120.400 -0.083 0.000 2.137 173 K HA -0.128 4.193 4.320 0.002 0.000 0.202 173 K C 2.113 178.722 176.600 0.014 0.000 1.052 173 K CA 1.241 57.520 56.287 -0.013 0.000 0.961 173 K CB 0.099 32.588 32.500 -0.018 0.000 0.741 173 K HN 0.321 nan 8.250 nan 0.000 0.452 174 E N 1.514 121.679 120.200 -0.059 0.000 2.107 174 E HA -0.148 4.203 4.350 0.002 0.000 0.191 174 E C 1.932 178.475 176.600 -0.095 0.000 0.982 174 E CA 0.897 57.273 56.400 -0.040 0.000 0.809 174 E CB -0.335 29.357 29.700 -0.015 0.000 0.756 174 E HN 0.217 nan 8.360 nan 0.000 0.459 175 I N 0.492 120.849 120.570 -0.355 0.000 2.208 175 I HA -0.274 3.897 4.170 0.002 0.000 0.245 175 I C 2.561 178.629 176.117 -0.081 0.000 1.097 175 I CA 1.468 62.468 61.300 -0.501 0.000 1.363 175 I CB -0.499 36.993 38.000 -0.845 0.000 1.051 175 I HN 0.148 nan 8.210 nan 0.000 0.413 176 Y N 1.806 122.025 120.300 -0.134 0.000 2.128 176 Y HA -0.252 4.299 4.550 0.002 0.000 0.284 176 Y C 2.348 178.246 175.900 -0.003 0.000 1.154 176 Y CA 1.649 59.719 58.100 -0.050 0.000 1.149 176 Y CB -0.386 38.041 38.460 -0.056 0.000 0.976 176 Y HN -0.004 nan 8.280 nan 0.000 0.505 177 L N -1.301 119.894 121.223 -0.047 0.000 1.994 177 L HA -0.232 4.109 4.340 0.002 0.000 0.208 177 L C 2.402 179.202 176.870 -0.117 0.000 1.071 177 L CA 1.762 56.528 54.840 -0.123 0.000 0.745 177 L CB -0.944 41.106 42.059 -0.015 0.000 0.892 177 L HN 0.301 nan 8.230 nan 0.000 0.431 178 F N 0.901 120.767 119.950 -0.140 0.000 2.063 178 F HA -0.389 4.139 4.527 0.002 0.000 0.298 178 F C 2.675 178.401 175.800 -0.124 0.000 1.105 178 F CA 2.246 60.187 58.000 -0.098 0.000 1.215 178 F CB -0.278 38.753 39.000 0.052 0.000 0.972 178 F HN 0.025 nan 8.300 nan 0.000 0.483 179 S N 0.332 116.115 115.700 0.137 0.000 2.365 179 S HA -0.291 4.180 4.470 0.002 0.000 0.225 179 S C 1.829 176.323 174.600 -0.177 0.000 1.039 179 S CA 1.480 59.687 58.200 0.012 0.000 1.033 179 S CB -0.591 62.618 63.200 0.015 0.000 0.887 179 S HN 0.517 nan 8.310 nan 0.000 0.447 180 Q N 1.021 120.655 119.800 -0.277 0.000 2.061 180 Q HA -0.059 4.282 4.340 0.002 0.000 0.204 180 Q C 2.399 178.264 176.000 -0.224 0.000 0.984 180 Q CA 1.193 56.838 55.803 -0.262 0.000 0.846 180 Q CB -0.708 27.835 28.738 -0.325 0.000 0.902 180 Q HN 0.539 nan 8.270 nan 0.000 0.421 181 L N 0.601 121.614 121.223 -0.350 0.000 2.027 181 L HA -0.177 4.164 4.340 0.002 0.000 0.206 181 L C 2.234 178.956 176.870 -0.247 0.000 1.074 181 L CA 1.129 55.706 54.840 -0.439 0.000 0.745 181 L CB -0.632 40.910 42.059 -0.863 0.000 0.898 181 L HN 0.195 nan 8.230 nan 0.000 0.433 182 N N 0.448 118.887 118.700 -0.435 0.000 2.205 182 N HA -0.176 4.565 4.740 0.002 0.000 0.186 182 N C 1.664 177.087 175.510 -0.146 0.000 1.015 182 N CA 1.345 54.183 53.050 -0.354 0.000 0.862 182 N CB -0.088 38.100 38.487 -0.498 0.000 0.986 182 N HN 0.328 nan 8.380 nan 0.000 0.429 183 A N -0.485 122.270 122.820 -0.109 0.000 2.172 183 A HA 0.079 4.400 4.320 0.002 0.000 0.216 183 A C 0.532 178.105 177.584 -0.018 0.000 1.154 183 A CA 0.266 52.273 52.037 -0.049 0.000 0.701 183 A CB -0.088 18.884 19.000 -0.046 0.000 0.789 183 A HN 0.051 nan 8.150 nan 0.000 0.465 184 V N 0.547 120.464 119.914 0.006 0.000 2.498 184 V HA 0.469 4.590 4.120 0.002 0.000 0.279 184 V C 1.215 177.298 176.094 -0.018 0.000 1.048 184 V CA -0.425 61.889 62.300 0.023 0.000 0.967 184 V CB 0.760 32.644 31.823 0.102 0.000 0.988 184 V HN 0.408 nan 8.190 nan 0.000 0.473 185 G N 3.337 112.122 108.800 -0.025 0.000 2.636 185 G HA2 0.072 4.033 3.960 0.002 0.000 0.246 185 G HA3 0.072 4.033 3.960 0.002 0.000 0.246 185 G C 0.111 174.957 174.900 -0.091 0.000 1.216 185 G CA -0.540 44.535 45.100 -0.040 0.000 0.854 185 G HN 0.707 nan 8.290 nan 0.000 0.572 186 N N -0.117 118.509 118.700 -0.123 0.000 2.359 186 N HA 0.002 4.743 4.740 0.002 0.000 0.261 186 N C 0.553 175.966 175.510 -0.161 0.000 1.267 186 N CA 0.416 53.300 53.050 -0.277 0.000 0.864 186 N CB -0.308 38.001 38.487 -0.297 0.000 1.063 186 N HN 0.550 nan 8.380 nan 0.000 0.474 187 F N -2.694 117.196 119.950 -0.100 0.000 2.825 187 F HA -0.350 4.178 4.527 0.002 0.000 0.358 187 F C 0.970 176.708 175.800 -0.103 0.000 0.639 187 F CA 0.627 58.565 58.000 -0.103 0.000 1.153 187 F CB -1.600 37.354 39.000 -0.076 0.000 1.610 187 F HN 0.509 nan 8.300 nan 0.000 0.305 188 A N -0.050 122.780 122.820 0.017 0.000 2.257 188 A HA 0.753 5.073 4.320 0.002 0.000 0.289 188 A C 0.418 177.963 177.584 -0.065 0.000 1.095 188 A CA 0.320 52.354 52.037 -0.006 0.000 0.836 188 A CB 0.625 19.623 19.000 -0.003 0.000 1.111 188 A HN 0.129 nan 8.150 nan 0.000 0.497 189 T N 0.185 114.715 114.554 -0.040 0.000 2.847 189 T HA 0.623 4.974 4.350 0.002 0.000 0.291 189 T C 0.015 174.708 174.700 -0.012 0.000 0.998 189 T CA 0.133 62.202 62.100 -0.052 0.000 0.967 189 T CB 1.374 70.216 68.868 -0.042 0.000 0.954 189 T HN 1.139 nan 8.240 nan 0.000 0.441 190 G N 1.449 110.256 108.800 0.011 0.000 2.533 190 G HA2 0.601 4.562 3.960 0.002 0.000 0.304 190 G HA3 0.601 4.562 3.960 0.002 0.000 0.304 190 G C -0.613 174.314 174.900 0.046 0.000 1.263 190 G CA -0.563 44.557 45.100 0.033 0.000 0.964 190 G HN 0.547 nan 8.290 nan 0.000 0.479 191 T N 1.520 116.091 114.554 0.028 0.000 2.832 191 T HA 0.293 4.644 4.350 0.002 0.000 0.296 191 T C 0.244 174.953 174.700 0.016 0.000 0.968 191 T CA -0.033 62.078 62.100 0.019 0.000 1.107 191 T CB 0.636 69.509 68.868 0.008 0.000 0.916 191 T HN 0.163 nan 8.240 nan 0.000 0.517 192 I N 3.584 124.162 120.570 0.013 0.000 2.282 192 I HA 0.304 4.475 4.170 0.002 0.000 0.290 192 I C 0.898 177.017 176.117 0.002 0.000 1.090 192 I CA -1.325 59.964 61.300 -0.018 0.000 1.231 192 I CB -0.584 37.399 38.000 -0.028 0.000 1.434 192 I HN 0.654 nan 8.210 nan 0.000 0.487 193 A N 4.871 127.696 122.820 0.008 0.000 2.524 193 A HA 0.451 4.772 4.320 0.002 0.000 0.250 193 A C 0.577 178.246 177.584 0.142 0.000 1.078 193 A CA 0.371 52.451 52.037 0.072 0.000 0.761 193 A CB 0.205 19.265 19.000 0.099 0.000 1.012 193 A HN 0.689 nan 8.150 nan 0.000 0.500 194 T N 1.003 115.625 114.554 0.115 0.000 2.841 194 T HA 0.437 4.788 4.350 0.002 0.000 0.296 194 T C -0.991 173.752 174.700 0.072 0.000 1.166 194 T CA -0.727 61.445 62.100 0.119 0.000 1.007 194 T CB 0.821 69.740 68.868 0.085 0.000 1.253 194 T HN 0.621 nan 8.240 nan 0.000 0.511 195 D N 3.036 123.464 120.400 0.047 0.000 2.472 195 D HA 0.240 4.880 4.640 0.002 0.000 0.237 195 D C -2.135 174.181 176.300 0.027 0.000 1.141 195 D CA -0.720 53.295 54.000 0.024 0.000 0.875 195 D CB 0.355 41.160 40.800 0.008 0.000 1.192 195 D HN 0.324 nan 8.370 nan 0.000 0.450 196 P HA -0.039 nan 4.420 nan 0.000 0.264 196 P C -0.479 176.833 177.300 0.020 0.000 1.173 196 P CA 0.330 63.442 63.100 0.020 0.000 0.761 196 P CB 0.383 32.093 31.700 0.016 0.000 0.794 197 L N 2.993 124.227 121.223 0.019 0.000 2.280 197 L HA 0.319 4.660 4.340 0.002 0.000 0.287 197 L C 1.086 177.964 176.870 0.014 0.000 1.023 197 L CA -0.970 53.882 54.840 0.020 0.000 0.819 197 L CB 0.770 42.841 42.059 0.019 0.000 1.212 197 L HN 0.404 nan 8.230 nan 0.000 0.420 198 N N 1.149 119.858 118.700 0.015 0.000 2.235 198 N HA -0.049 4.692 4.740 0.002 0.000 0.231 198 N C 0.359 175.875 175.510 0.010 0.000 1.330 198 N CA -0.124 52.933 53.050 0.012 0.000 0.898 198 N CB 0.501 38.996 38.487 0.013 0.000 1.151 198 N HN 0.421 nan 8.380 nan 0.000 0.472 199 D N -1.494 118.910 120.400 0.008 0.000 2.224 199 D HA -0.116 4.525 4.640 0.002 0.000 0.205 199 D C 1.371 177.674 176.300 0.004 0.000 0.965 199 D CA 1.036 55.039 54.000 0.004 0.000 0.852 199 D CB -0.178 40.624 40.800 0.003 0.000 0.947 199 D HN 0.593 nan 8.370 nan 0.000 0.494 200 S N -0.133 115.573 115.700 0.009 0.000 2.404 200 S HA -0.100 4.371 4.470 0.002 0.000 0.223 200 S C 1.852 176.461 174.600 0.016 0.000 1.040 200 S CA 0.516 58.722 58.200 0.011 0.000 0.957 200 S CB 0.095 63.303 63.200 0.015 0.000 0.826 200 S HN 0.087 nan 8.310 nan 0.000 0.491 201 Q N 0.419 120.233 119.800 0.025 0.000 2.062 201 Q HA -0.141 4.200 4.340 0.002 0.000 0.209 201 Q C 2.112 178.124 176.000 0.021 0.000 0.996 201 Q CA 2.372 58.197 55.803 0.038 0.000 0.859 201 Q CB -0.409 28.353 28.738 0.040 0.000 0.920 201 Q HN 0.510 nan 8.270 nan 0.000 0.415 202 V N 0.664 120.582 119.914 0.008 0.000 2.282 202 V HA -0.321 3.800 4.120 0.002 0.000 0.249 202 V C 2.218 178.297 176.094 -0.025 0.000 1.057 202 V CA 2.027 64.322 62.300 -0.009 0.000 1.032 202 V CB -1.003 30.814 31.823 -0.009 0.000 0.645 202 V HN 0.514 nan 8.190 nan 0.000 0.447 203 A N -0.911 121.897 122.820 -0.019 0.000 2.168 203 A HA -0.019 4.302 4.320 0.002 0.000 0.215 203 A C 2.249 179.808 177.584 -0.042 0.000 1.152 203 A CA 1.258 53.278 52.037 -0.028 0.000 0.716 203 A CB -0.326 18.665 19.000 -0.016 0.000 0.794 203 A HN 0.362 nan 8.150 nan 0.000 0.465 204 V N -0.106 119.783 119.914 -0.042 0.000 2.407 204 V HA -0.192 3.929 4.120 0.002 0.000 0.245 204 V C 2.333 178.306 176.094 -0.202 0.000 1.041 204 V CA 1.739 63.994 62.300 -0.075 0.000 1.040 204 V CB -0.581 31.241 31.823 -0.002 0.000 0.671 204 V HN 0.579 nan 8.190 nan 0.000 0.455 205 I N 0.883 121.334 120.570 -0.197 0.000 2.179 205 I HA -0.252 3.919 4.170 0.002 0.000 0.242 205 I C 2.691 178.701 176.117 -0.179 0.000 1.088 205 I CA 1.593 62.736 61.300 -0.260 0.000 1.357 205 I CB -0.624 37.294 38.000 -0.137 0.000 1.051 205 I HN 0.272 nan 8.210 nan 0.000 0.409 206 A N 0.529 123.284 122.820 -0.108 0.000 1.986 206 A HA -0.262 4.059 4.320 0.002 0.000 0.220 206 A C 2.445 179.980 177.584 -0.081 0.000 1.171 206 A CA 2.394 54.385 52.037 -0.077 0.000 0.640 206 A CB -0.795 18.174 19.000 -0.052 0.000 0.811 206 A HN 0.563 nan 8.150 nan 0.000 0.451 207 S N -0.551 115.089 115.700 -0.099 0.000 2.470 207 S HA 0.056 4.527 4.470 0.002 0.000 0.225 207 S C 1.380 175.922 174.600 -0.096 0.000 1.006 207 S CA 0.769 58.920 58.200 -0.081 0.000 0.934 207 S CB -0.134 63.027 63.200 -0.064 0.000 0.778 207 S HN 0.927 nan 8.310 nan 0.000 0.517 208 I N 0.744 121.216 120.570 -0.162 0.000 4.147 208 I HA 0.340 4.511 4.170 0.002 0.000 0.329 208 I C 1.438 177.480 176.117 -0.126 0.000 1.424 208 I CA 0.576 61.788 61.300 -0.147 0.000 1.127 208 I CB -0.772 37.114 38.000 -0.189 0.000 1.128 208 I HN 0.328 nan 8.210 nan 0.000 0.417 209 S N 3.189 118.818 115.700 -0.119 0.000 2.419 209 S HA -0.259 4.212 4.470 0.002 0.000 0.235 209 S C 1.863 176.448 174.600 -0.025 0.000 1.019 209 S CA 1.623 59.780 58.200 -0.071 0.000 0.982 209 S CB -0.789 62.377 63.200 -0.057 0.000 0.789 209 S HN 0.749 nan 8.310 nan 0.000 0.490 210 K N 1.527 121.913 120.400 -0.023 0.000 2.362 210 K HA -0.087 4.234 4.320 0.002 0.000 0.202 210 K C 1.690 178.296 176.600 0.009 0.000 1.045 210 K CA 1.694 57.979 56.287 -0.004 0.000 0.936 210 K CB -0.364 32.132 32.500 -0.007 0.000 0.747 210 K HN 0.487 nan 8.250 nan 0.000 0.467 211 E N 0.177 120.382 120.200 0.008 0.000 2.358 211 E HA 0.064 4.415 4.350 0.002 0.000 0.195 211 E C 0.030 176.655 176.600 0.042 0.000 1.010 211 E CA 0.401 56.818 56.400 0.028 0.000 0.856 211 E CB 0.123 29.847 29.700 0.040 0.000 0.795 211 E HN 0.366 nan 8.360 nan 0.000 0.504 212 M N 1.567 121.193 119.600 0.043 0.000 2.023 212 M HA 0.299 4.780 4.480 0.002 0.000 0.325 212 M C -2.532 173.818 176.300 0.084 0.000 0.963 212 M CA -2.250 53.088 55.300 0.064 0.000 0.928 212 M CB 1.576 34.215 32.600 0.066 0.000 1.429 212 M HN -0.337 nan 8.290 nan 0.000 0.404 213 P HA 0.026 nan 4.420 nan 0.000 0.261 213 P C 0.936 178.338 177.300 0.169 0.000 1.183 213 P CA 1.235 64.393 63.100 0.097 0.000 0.761 213 P CB 0.566 32.317 31.700 0.085 0.000 0.785 214 G N 3.034 111.880 108.800 0.076 0.000 2.268 214 G HA2 -0.207 3.754 3.960 0.002 0.000 0.240 214 G HA3 -0.207 3.754 3.960 0.002 0.000 0.240 214 G C 0.189 175.154 174.900 0.109 0.000 1.010 214 G CA -0.462 44.627 45.100 -0.017 0.000 0.618 214 G HN 0.478 nan 8.290 nan 0.000 0.516 215 I N 2.215 122.902 120.570 0.194 0.000 2.428 215 I HA 0.605 4.776 4.170 0.002 0.000 0.289 215 I C 0.746 176.901 176.117 0.063 0.000 1.019 215 I CA 0.440 61.841 61.300 0.168 0.000 1.351 215 I CB 1.086 39.166 38.000 0.134 0.000 1.412 215 I HN 0.662 nan 8.210 nan 0.000 0.513 216 S N 6.944 122.670 115.700 0.043 0.000 2.588 216 S HA 0.588 5.059 4.470 0.002 0.000 0.269 216 S C -1.099 173.498 174.600 -0.006 0.000 1.157 216 S CA -0.929 57.273 58.200 0.004 0.000 0.824 216 S CB 1.869 65.064 63.200 -0.007 0.000 1.126 216 S HN 0.262 nan 8.310 nan 0.000 0.464 217 I N 3.096 123.653 120.570 -0.023 0.000 2.396 217 I HA 0.628 4.799 4.170 0.002 0.000 0.292 217 I C 0.790 176.883 176.117 -0.040 0.000 0.999 217 I CA 0.204 61.486 61.300 -0.030 0.000 1.310 217 I CB 1.042 39.021 38.000 -0.035 0.000 1.404 217 I HN 1.062 nan 8.210 nan 0.000 0.496 218 S N 3.525 119.193 115.700 -0.053 0.000 2.790 218 S HA 0.657 5.128 4.470 0.002 0.000 0.292 218 S C -0.458 174.076 174.600 -0.110 0.000 1.197 218 S CA -0.663 57.490 58.200 -0.078 0.000 0.851 218 S CB 1.972 65.122 63.200 -0.083 0.000 1.217 218 S HN 0.643 nan 8.310 nan 0.000 0.526 219 T N -1.388 113.070 114.554 -0.161 0.000 2.823 219 T HA 0.779 5.130 4.350 0.002 0.000 0.279 219 T C -0.011 174.453 174.700 -0.394 0.000 0.998 219 T CA -0.328 61.639 62.100 -0.222 0.000 0.994 219 T CB 1.449 70.194 68.868 -0.205 0.000 0.960 219 T HN 0.805 nan 8.240 nan 0.000 0.448 220 S N 1.599 117.046 115.700 -0.422 0.000 2.993 220 S HA 0.828 5.299 4.470 0.002 0.000 0.281 220 S C -1.452 172.709 174.600 -0.731 0.000 1.033 220 S CA -0.896 56.934 58.200 -0.617 0.000 0.950 220 S CB 0.895 63.938 63.200 -0.261 0.000 1.349 220 S HN 0.785 nan 8.310 nan 0.000 0.652 221 W N 1.265 122.575 121.300 0.016 0.000 3.032 221 W HA 0.450 5.111 4.660 0.002 0.000 0.335 221 W C -1.390 175.139 176.519 0.016 0.000 1.154 221 W CA -0.684 56.670 57.345 0.016 0.000 1.204 221 W CB 0.930 30.400 29.460 0.017 0.000 1.416 221 W HN 0.564 nan 8.180 nan 0.000 0.521 222 D N 1.095 121.648 120.400 0.255 0.000 2.228 222 D HA 0.353 4.994 4.640 0.002 0.000 0.247 222 D C -0.454 175.933 176.300 0.146 0.000 0.995 222 D CA -0.796 53.302 54.000 0.164 0.000 0.903 222 D CB 2.522 43.382 40.800 0.101 0.000 1.205 222 D HN 0.053 nan 8.370 nan 0.000 0.459 223 R N 1.236 121.791 120.500 0.091 0.000 2.255 223 R HA 0.276 4.617 4.340 0.002 0.000 0.326 223 R C -0.659 175.662 176.300 0.034 0.000 0.986 223 R CA -0.643 55.484 56.100 0.045 0.000 0.847 223 R CB 0.564 30.878 30.300 0.024 0.000 1.111 223 R HN 0.375 nan 8.270 nan 0.000 0.452 224 K N 4.248 124.661 120.400 0.022 0.000 2.259 224 K HA 0.442 4.763 4.320 0.002 0.000 0.252 224 K C -1.006 175.592 176.600 -0.004 0.000 0.936 224 K CA -0.753 55.543 56.287 0.014 0.000 0.810 224 K CB 1.456 33.968 32.500 0.020 0.000 1.143 224 K HN 0.473 nan 8.250 nan 0.000 0.427 225 I N 4.361 124.931 120.570 -0.001 0.000 2.312 225 I HA 0.169 4.340 4.170 0.002 0.000 0.291 225 I C -0.033 176.076 176.117 -0.013 0.000 1.031 225 I CA -0.771 60.523 61.300 -0.011 0.000 1.293 225 I CB 0.812 38.813 38.000 0.001 0.000 1.403 225 I HN 0.444 nan 8.210 nan 0.000 0.484 226 L N 5.761 126.970 121.223 -0.024 0.000 2.452 226 L HA 0.181 4.522 4.340 0.002 0.000 0.267 226 L C 0.694 177.554 176.870 -0.017 0.000 1.188 226 L CA -0.451 54.377 54.840 -0.020 0.000 0.821 226 L CB 0.072 42.114 42.059 -0.028 0.000 1.102 226 L HN 0.551 nan 8.230 nan 0.000 0.470 227 E N 2.052 122.244 120.200 -0.012 0.000 2.081 227 E HA 0.118 4.469 4.350 0.002 0.000 0.270 227 E C -0.201 176.390 176.600 -0.015 0.000 1.180 227 E CA 0.017 56.410 56.400 -0.012 0.000 0.926 227 E CB 0.275 29.970 29.700 -0.009 0.000 1.035 227 E HN 0.649 nan 8.360 nan 0.000 0.418 228 T N -1.593 112.949 114.554 -0.020 0.000 2.792 228 T HA 0.168 4.519 4.350 0.002 0.000 0.303 228 T C 0.877 175.561 174.700 -0.028 0.000 1.310 228 T CA -0.497 61.590 62.100 -0.021 0.000 1.007 228 T CB 1.273 70.129 68.868 -0.020 0.000 1.335 228 T HN 0.178 nan 8.240 nan 0.000 0.504 229 S N 0.115 115.796 115.700 -0.031 0.000 2.522 229 S HA 0.118 4.589 4.470 0.002 0.000 0.227 229 S C 1.378 175.952 174.600 -0.043 0.000 0.986 229 S CA 0.090 58.265 58.200 -0.042 0.000 0.929 229 S CB -0.709 62.461 63.200 -0.049 0.000 0.769 229 S HN 0.622 nan 8.310 nan 0.000 0.529 230 L N 2.170 123.373 121.223 -0.035 0.000 2.700 230 L HA 0.222 4.563 4.340 0.002 0.000 0.234 230 L C 2.357 179.204 176.870 -0.038 0.000 1.156 230 L CA 0.360 55.179 54.840 -0.034 0.000 0.946 230 L CB -0.237 41.810 42.059 -0.021 0.000 1.216 230 L HN 0.456 nan 8.230 nan 0.000 0.493 231 S N -0.468 115.209 115.700 -0.037 0.000 2.368 231 S HA -0.198 4.273 4.470 0.002 0.000 0.225 231 S C 2.210 176.786 174.600 -0.041 0.000 1.030 231 S CA 1.331 59.513 58.200 -0.031 0.000 0.999 231 S CB -0.499 62.687 63.200 -0.023 0.000 0.844 231 S HN 0.531 nan 8.310 nan 0.000 0.459 232 S N 1.929 117.587 115.700 -0.069 0.000 2.419 232 S HA 0.047 4.518 4.470 0.002 0.000 0.235 232 S C 1.743 176.205 174.600 -0.230 0.000 1.019 232 S CA 1.183 59.309 58.200 -0.123 0.000 0.982 232 S CB -0.801 62.318 63.200 -0.134 0.000 0.789 232 S HN 0.604 nan 8.310 nan 0.000 0.490 233 I N 0.732 121.201 120.570 -0.167 0.000 3.427 233 I HA 0.033 4.204 4.170 0.002 0.000 0.288 233 I C 2.050 178.162 176.117 -0.008 0.000 1.249 233 I CA 0.150 61.348 61.300 -0.170 0.000 1.421 233 I CB -0.004 37.941 38.000 -0.092 0.000 1.086 233 I HN 0.164 nan 8.210 nan 0.000 0.448 234 V N 0.955 120.878 119.914 0.015 0.000 2.261 234 V HA -0.019 4.101 4.120 0.002 0.000 0.246 234 V C 1.272 177.451 176.094 0.141 0.000 1.047 234 V CA 1.584 63.922 62.300 0.063 0.000 1.015 234 V CB -1.279 30.558 31.823 0.022 0.000 0.642 234 V HN 0.666 nan 8.190 nan 0.000 0.446 235 G N -0.138 108.767 108.800 0.174 0.000 2.566 235 G HA2 -0.034 3.927 3.960 0.002 0.000 0.599 235 G HA3 -0.034 3.927 3.960 0.002 0.000 0.599 235 G C -0.284 174.699 174.900 0.138 0.000 1.292 235 G CA -0.276 44.977 45.100 0.255 0.000 0.922 235 G HN 1.079 nan 8.290 nan 0.000 0.514 236 S N -1.876 113.889 115.700 0.109 0.000 2.689 236 S HA 0.875 5.346 4.470 0.002 0.000 0.306 236 S C -0.463 174.163 174.600 0.044 0.000 1.104 236 S CA -0.316 57.922 58.200 0.064 0.000 0.973 236 S CB 2.307 65.539 63.200 0.055 0.000 1.121 236 S HN 1.683 nan 8.310 nan 0.000 0.523 237 V N 1.842 121.775 119.914 0.033 0.000 2.680 237 V HA 0.617 4.738 4.120 0.002 0.000 0.309 237 V C 0.407 176.509 176.094 0.014 0.000 1.052 237 V CA -0.826 61.488 62.300 0.024 0.000 0.908 237 V CB 1.889 33.728 31.823 0.027 0.000 1.001 237 V HN 1.143 nan 8.190 nan 0.000 0.431 238 S N 2.953 118.650 115.700 -0.004 0.000 2.549 238 S HA 0.210 4.681 4.470 0.002 0.000 0.286 238 S C 0.402 175.010 174.600 0.013 0.000 1.314 238 S CA -0.062 58.130 58.200 -0.012 0.000 1.062 238 S CB 0.622 63.790 63.200 -0.054 0.000 0.865 238 S HN 1.254 nan 8.310 nan 0.000 0.498 239 S N 1.680 117.391 115.700 0.019 0.000 2.593 239 S HA 0.156 4.627 4.470 0.002 0.000 0.269 239 S C 0.956 175.580 174.600 0.041 0.000 1.334 239 S CA -0.137 58.085 58.200 0.037 0.000 1.015 239 S CB 0.684 63.905 63.200 0.035 0.000 0.912 239 S HN 0.943 nan 8.310 nan 0.000 0.541 240 E N 0.922 121.157 120.200 0.059 0.000 2.110 240 E HA -0.229 4.122 4.350 0.002 0.000 0.193 240 E C 1.807 178.433 176.600 0.043 0.000 0.988 240 E CA 1.363 57.799 56.400 0.061 0.000 0.804 240 E CB -0.148 29.596 29.700 0.073 0.000 0.745 240 E HN 0.714 nan 8.360 nan 0.000 0.458 241 K N 0.668 121.093 120.400 0.041 0.000 2.009 241 K HA -0.068 4.253 4.320 0.002 0.000 0.210 241 K C 1.094 177.712 176.600 0.029 0.000 1.049 241 K CA 1.567 57.877 56.287 0.039 0.000 0.929 241 K CB -0.262 32.265 32.500 0.046 0.000 0.714 241 K HN 0.126 nan 8.250 nan 0.000 0.440 242 A N 0.475 123.308 122.820 0.022 0.000 3.105 242 A HA 0.368 4.689 4.320 0.002 0.000 0.272 242 A C 1.134 178.714 177.584 -0.008 0.000 1.466 242 A CA 0.248 52.290 52.037 0.009 0.000 1.101 242 A CB -1.305 17.698 19.000 0.005 0.000 1.065 242 A HN 0.484 nan 8.150 nan 0.000 0.643 243 G N 0.698 109.497 108.800 -0.002 0.000 3.933 243 G HA2 -0.277 3.684 3.960 0.002 0.000 0.298 243 G HA3 -0.277 3.684 3.960 0.002 0.000 0.298 243 G C 0.649 175.514 174.900 -0.059 0.000 0.858 243 G CA 0.911 46.004 45.100 -0.012 0.000 0.716 243 G HN 0.578 nan 8.290 nan 0.000 1.428 244 L N 2.226 123.395 121.223 -0.089 0.000 2.421 244 L HA 0.309 4.650 4.340 0.002 0.000 0.263 244 L C -1.629 175.141 176.870 -0.168 0.000 1.122 244 L CA -1.746 52.970 54.840 -0.206 0.000 0.804 244 L CB 1.059 42.980 42.059 -0.230 0.000 1.150 244 L HN 0.291 nan 8.230 nan 0.000 0.457 245 P HA 0.028 nan 4.420 nan 0.000 0.267 245 P C -0.017 177.246 177.300 -0.062 0.000 1.209 245 P CA -0.094 62.933 63.100 -0.122 0.000 0.763 245 P CB 1.109 32.737 31.700 -0.121 0.000 0.816 246 A N 4.191 126.996 122.820 -0.024 0.000 1.969 246 A HA -0.191 4.130 4.320 0.002 0.000 0.218 246 A C 1.828 179.424 177.584 0.020 0.000 1.169 246 A CA 1.402 53.440 52.037 0.001 0.000 0.635 246 A CB -0.750 18.252 19.000 0.004 0.000 0.810 246 A HN 0.517 nan 8.150 nan 0.000 0.445 247 E N 0.611 120.824 120.200 0.021 0.000 2.118 247 E HA -0.153 4.198 4.350 0.002 0.000 0.195 247 E C 1.299 177.931 176.600 0.053 0.000 0.992 247 E CA 1.427 57.844 56.400 0.029 0.000 0.804 247 E CB -0.097 29.617 29.700 0.022 0.000 0.741 247 E HN 0.588 nan 8.360 nan 0.000 0.458 248 E N -0.397 119.866 120.200 0.104 0.000 2.501 248 E HA 0.280 4.631 4.350 0.002 0.000 0.201 248 E C 1.523 178.277 176.600 0.255 0.000 1.016 248 E CA 0.418 56.929 56.400 0.184 0.000 0.920 248 E CB 0.591 30.526 29.700 0.391 0.000 1.023 248 E HN 0.229 nan 8.360 nan 0.000 0.474 249 A N 1.579 124.487 122.820 0.147 0.000 1.985 249 A HA -0.305 4.016 4.320 0.002 0.000 0.223 249 A C 2.110 179.777 177.584 0.138 0.000 1.189 249 A CA 2.119 54.228 52.037 0.121 0.000 0.658 249 A CB -0.373 18.659 19.000 0.053 0.000 0.820 249 A HN 0.287 nan 8.150 nan 0.000 0.464 250 E N -0.705 119.547 120.200 0.086 0.000 2.076 250 E HA -0.088 4.263 4.350 0.002 0.000 0.190 250 E C 2.205 178.813 176.600 0.014 0.000 0.979 250 E CA 0.885 57.312 56.400 0.045 0.000 0.807 250 E CB -0.033 29.679 29.700 0.021 0.000 0.761 250 E HN 0.592 nan 8.360 nan 0.000 0.454 251 S N 0.008 115.683 115.700 -0.041 0.000 2.372 251 S HA -0.208 4.262 4.470 0.002 0.000 0.227 251 S C 1.665 176.129 174.600 -0.227 0.000 1.044 251 S CA 1.622 59.702 58.200 -0.200 0.000 1.050 251 S CB -0.417 62.539 63.200 -0.407 0.000 0.901 251 S HN 0.410 nan 8.310 nan 0.000 0.447 252 Y N 1.045 121.264 120.300 -0.134 0.000 2.286 252 Y HA 0.163 4.714 4.550 0.002 0.000 0.293 252 Y C 2.194 178.085 175.900 -0.015 0.000 1.124 252 Y CA 0.284 58.243 58.100 -0.234 0.000 1.178 252 Y CB -0.353 37.862 38.460 -0.408 0.000 1.010 252 Y HN 0.121 nan 8.280 nan 0.000 0.536 253 L N 0.204 121.528 121.223 0.169 0.000 2.017 253 L HA -0.254 4.087 4.340 0.002 0.000 0.208 253 L C 2.493 179.434 176.870 0.119 0.000 1.073 253 L CA 1.639 56.567 54.840 0.147 0.000 0.745 253 L CB -0.514 41.603 42.059 0.097 0.000 0.894 253 L HN 0.217 nan 8.230 nan 0.000 0.432 254 K N 0.654 121.098 120.400 0.072 0.000 1.978 254 K HA -0.229 4.092 4.320 0.002 0.000 0.214 254 K C 2.142 178.781 176.600 0.064 0.000 1.049 254 K CA 1.659 57.973 56.287 0.044 0.000 0.939 254 K CB -0.035 32.467 32.500 0.004 0.000 0.721 254 K HN 0.087 nan 8.250 nan 0.000 0.441 255 K N -1.532 118.903 120.400 0.059 0.000 2.228 255 K HA -0.167 4.154 4.320 0.002 0.000 0.205 255 K C 1.178 177.895 176.600 0.195 0.000 1.045 255 K CA 1.369 57.719 56.287 0.104 0.000 0.931 255 K CB 0.035 32.581 32.500 0.077 0.000 0.727 255 K HN 0.613 nan 8.250 nan 0.000 0.458 256 G N -1.375 107.580 108.800 0.258 0.000 2.902 256 G HA2 -0.136 3.825 3.960 0.002 0.000 0.215 256 G HA3 -0.136 3.825 3.960 0.002 0.000 0.215 256 G C -0.215 174.803 174.900 0.197 0.000 0.976 256 G CA -0.649 44.556 45.100 0.176 0.000 0.794 256 G HN 0.157 nan 8.290 nan 0.000 0.557 257 Y N 1.559 121.906 120.300 0.078 0.000 2.299 257 Y HA 0.549 5.100 4.550 0.002 0.000 0.335 257 Y C 1.369 177.308 175.900 0.064 0.000 1.287 257 Y CA 0.427 58.577 58.100 0.084 0.000 1.424 257 Y CB 1.110 39.650 38.460 0.134 0.000 1.326 257 Y HN 0.157 nan 8.280 nan 0.000 0.567 258 S N 0.546 116.362 115.700 0.195 0.000 2.681 258 S HA 0.128 4.599 4.470 0.002 0.000 0.270 258 S C 0.485 175.166 174.600 0.134 0.000 1.209 258 S CA -0.670 57.607 58.200 0.128 0.000 0.988 258 S CB 0.791 64.038 63.200 0.078 0.000 1.006 258 S HN 0.613 nan 8.310 nan 0.000 0.558 259 L N 2.037 123.309 121.223 0.082 0.000 2.446 259 L HA 0.284 4.625 4.340 0.002 0.000 0.219 259 L C 1.369 178.262 176.870 0.038 0.000 1.116 259 L CA 1.236 56.109 54.840 0.055 0.000 0.844 259 L CB -0.875 41.209 42.059 0.041 0.000 0.970 259 L HN 0.860 nan 8.230 nan 0.000 0.457 260 N N -2.055 116.674 118.700 0.049 0.000 2.230 260 N HA 0.011 4.752 4.740 0.002 0.000 0.202 260 N C -0.335 175.211 175.510 0.060 0.000 1.119 260 N CA -0.249 52.828 53.050 0.044 0.000 0.851 260 N CB -0.496 38.017 38.487 0.043 0.000 0.990 260 N HN 0.107 nan 8.380 nan 0.000 0.497 261 D N 1.634 122.083 120.400 0.083 0.000 2.443 261 D HA 0.053 4.694 4.640 0.002 0.000 0.239 261 D C 0.216 176.563 176.300 0.079 0.000 1.136 261 D CA 0.398 54.469 54.000 0.118 0.000 0.879 261 D CB 0.940 41.890 40.800 0.251 0.000 1.195 261 D HN 0.115 nan 8.370 nan 0.000 0.443 262 R N 1.154 121.708 120.500 0.091 0.000 2.207 262 R HA 0.423 4.764 4.340 0.002 0.000 0.334 262 R C -0.263 176.078 176.300 0.068 0.000 1.013 262 R CA -0.728 55.408 56.100 0.060 0.000 0.858 262 R CB 1.034 31.378 30.300 0.073 0.000 1.094 262 R HN 0.279 nan 8.270 nan 0.000 0.457 263 V N -0.747 119.177 119.914 0.017 0.000 3.001 263 V HA 0.782 4.903 4.120 0.002 0.000 0.314 263 V C 0.298 176.400 176.094 0.014 0.000 1.099 263 V CA -1.035 61.283 62.300 0.030 0.000 0.989 263 V CB 1.915 33.680 31.823 -0.097 0.000 1.040 263 V HN 0.738 nan 8.190 nan 0.000 0.434 264 G N 0.910 109.743 108.800 0.056 0.000 2.380 264 G HA2 0.465 4.426 3.960 0.002 0.000 0.262 264 G HA3 0.465 4.426 3.960 0.002 0.000 0.262 264 G C 0.628 175.544 174.900 0.026 0.000 1.243 264 G CA 0.372 45.502 45.100 0.050 0.000 0.865 264 G HN 1.503 nan 8.290 nan 0.000 0.513 265 T N -1.950 112.606 114.554 0.004 0.000 3.003 265 T HA 0.385 4.736 4.350 0.002 0.000 0.261 265 T C 0.837 175.498 174.700 -0.064 0.000 1.003 265 T CA 0.440 62.527 62.100 -0.022 0.000 0.917 265 T CB 0.143 68.993 68.868 -0.030 0.000 1.084 265 T HN 1.041 nan 8.240 nan 0.000 0.522 266 S N -0.470 115.192 115.700 -0.063 0.000 2.550 266 S HA 0.629 5.100 4.470 0.002 0.000 0.270 266 S C -0.505 174.033 174.600 -0.103 0.000 1.145 266 S CA -1.037 57.031 58.200 -0.221 0.000 0.852 266 S CB 1.412 64.471 63.200 -0.236 0.000 1.119 266 S HN 0.316 nan 8.310 nan 0.000 0.465 267 Y N 0.044 120.371 120.300 0.046 0.000 2.885 267 Y HA -0.404 4.147 4.550 0.002 0.000 0.466 267 Y C 1.875 177.830 175.900 0.091 0.000 1.189 267 Y CA 0.881 59.018 58.100 0.061 0.000 2.539 267 Y CB -1.345 37.148 38.460 0.055 0.000 1.224 267 Y HN 0.616 nan 8.280 nan 0.000 0.631 268 L N -0.134 121.279 121.223 0.317 0.000 2.043 268 L HA -0.223 4.118 4.340 0.002 0.000 0.212 268 L C 2.289 179.313 176.870 0.256 0.000 1.075 268 L CA 1.892 56.908 54.840 0.294 0.000 0.752 268 L CB -0.598 41.596 42.059 0.226 0.000 0.891 268 L HN 0.549 nan 8.230 nan 0.000 0.432 269 E N 0.170 120.478 120.200 0.180 0.000 2.110 269 E HA -0.247 4.104 4.350 0.002 0.000 0.193 269 E C 2.088 178.763 176.600 0.125 0.000 0.988 269 E CA 1.150 57.632 56.400 0.136 0.000 0.804 269 E CB -0.015 29.741 29.700 0.095 0.000 0.745 269 E HN 0.456 nan 8.360 nan 0.000 0.458 270 K N 0.833 121.290 120.400 0.095 0.000 2.044 270 K HA -0.172 4.149 4.320 0.002 0.000 0.204 270 K C 2.257 178.876 176.600 0.031 0.000 1.049 270 K CA 1.081 57.400 56.287 0.054 0.000 0.945 270 K CB 0.045 32.544 32.500 -0.001 0.000 0.724 270 K HN -0.143 nan 8.250 nan 0.000 0.440 271 Q N -0.120 119.693 119.800 0.021 0.000 2.112 271 Q HA -0.171 4.170 4.340 0.002 0.000 0.206 271 Q C 0.446 176.262 176.000 -0.306 0.000 0.987 271 Q CA 1.827 57.546 55.803 -0.139 0.000 0.858 271 Q CB -0.076 28.587 28.738 -0.125 0.000 0.905 271 Q HN 0.477 nan 8.270 nan 0.000 0.420 272 Y N -0.489 119.850 120.300 0.065 0.000 2.658 272 Y HA 0.199 4.750 4.550 0.002 0.000 0.276 272 Y C 1.247 177.190 175.900 0.071 0.000 1.167 272 Y CA -0.055 58.085 58.100 0.066 0.000 1.230 272 Y CB 0.283 38.786 38.460 0.072 0.000 1.144 272 Y HN 0.182 nan 8.280 nan 0.000 0.529 273 E N 1.566 121.854 120.200 0.146 0.000 2.086 273 E HA -0.283 4.068 4.350 0.002 0.000 0.200 273 E C 1.913 178.612 176.600 0.165 0.000 1.012 273 E CA 2.089 58.581 56.400 0.153 0.000 0.812 273 E CB -0.011 29.778 29.700 0.148 0.000 0.743 273 E HN 0.552 nan 8.360 nan 0.000 0.453 274 E N -0.606 119.676 120.200 0.137 0.000 2.153 274 E HA -0.142 4.209 4.350 0.002 0.000 0.194 274 E C 1.952 178.621 176.600 0.115 0.000 0.988 274 E CA 1.387 57.864 56.400 0.128 0.000 0.811 274 E CB 0.132 29.884 29.700 0.086 0.000 0.746 274 E HN 0.270 nan 8.360 nan 0.000 0.466 275 V N 0.801 120.802 119.914 0.145 0.000 2.407 275 V HA -0.194 3.927 4.120 0.002 0.000 0.245 275 V C 2.274 178.434 176.094 0.109 0.000 1.041 275 V CA 1.091 63.475 62.300 0.139 0.000 1.040 275 V CB -0.240 31.706 31.823 0.205 0.000 0.671 275 V HN 0.263 nan 8.190 nan 0.000 0.455 276 L N -0.602 120.693 121.223 0.120 0.000 2.240 276 L HA 0.022 4.363 4.340 0.002 0.000 0.211 276 L C 1.396 178.290 176.870 0.040 0.000 1.106 276 L CA 0.268 55.154 54.840 0.078 0.000 0.793 276 L CB -0.248 41.861 42.059 0.085 0.000 0.927 276 L HN 0.293 nan 8.230 nan 0.000 0.446 277 Q N 1.620 121.455 119.800 0.059 0.000 2.274 277 Q HA 0.155 4.496 4.340 0.002 0.000 0.280 277 Q C 0.387 176.373 176.000 -0.025 0.000 1.047 277 Q CA 0.206 56.024 55.803 0.025 0.000 0.907 277 Q CB 0.967 29.737 28.738 0.054 0.000 1.171 277 Q HN 0.230 nan 8.270 nan 0.000 0.381 278 G N 4.074 112.838 108.800 -0.060 0.000 2.484 278 G HA2 -0.031 3.930 3.960 0.002 0.000 0.235 278 G HA3 -0.031 3.930 3.960 0.002 0.000 0.235 278 G C -0.648 174.220 174.900 -0.053 0.000 1.282 278 G CA -0.488 44.572 45.100 -0.066 0.000 0.857 278 G HN 0.708 nan 8.290 nan 0.000 0.571 279 K N 1.934 122.313 120.400 -0.035 0.000 2.339 279 K HA 0.123 4.444 4.320 0.002 0.000 0.286 279 K C 0.406 176.992 176.600 -0.024 0.000 1.050 279 K CA -0.308 55.960 56.287 -0.032 0.000 0.956 279 K CB 0.405 32.894 32.500 -0.017 0.000 0.990 279 K HN 0.503 nan 8.250 nan 0.000 0.475 280 R N 4.620 125.099 120.500 -0.034 0.000 2.441 280 R HA 0.218 4.559 4.340 0.002 0.000 0.284 280 R C -2.295 174.003 176.300 -0.004 0.000 1.070 280 R CA -1.917 54.172 56.100 -0.017 0.000 1.047 280 R CB 0.389 30.667 30.300 -0.037 0.000 1.016 280 R HN 0.466 nan 8.270 nan 0.000 0.477 281 P HA 0.075 nan 4.420 nan 0.000 0.271 281 P C -0.803 176.497 177.300 -0.001 0.000 1.216 281 P CA -0.128 62.978 63.100 0.009 0.000 0.776 281 P CB 0.816 32.528 31.700 0.019 0.000 0.881 282 V N 4.317 124.227 119.914 -0.007 0.000 2.656 282 V HA 0.432 4.553 4.120 0.002 0.000 0.307 282 V C 0.008 176.090 176.094 -0.022 0.000 1.051 282 V CA -0.496 61.795 62.300 -0.015 0.000 0.893 282 V CB 2.024 33.837 31.823 -0.017 0.000 0.999 282 V HN 0.466 nan 8.190 nan 0.000 0.426 283 K N 2.753 123.132 120.400 -0.035 0.000 2.443 283 K HA 0.689 5.010 4.320 0.002 0.000 0.251 283 K C -1.190 175.355 176.600 -0.090 0.000 0.972 283 K CA -0.916 55.339 56.287 -0.053 0.000 0.833 283 K CB 3.008 35.473 32.500 -0.057 0.000 1.317 283 K HN 0.632 nan 8.250 nan 0.000 0.441 284 E N 1.571 121.700 120.200 -0.117 0.000 2.199 284 E HA 0.312 4.663 4.350 0.002 0.000 0.265 284 E C -1.058 175.345 176.600 -0.328 0.000 0.882 284 E CA -0.796 55.465 56.400 -0.232 0.000 0.759 284 E CB 1.711 31.259 29.700 -0.252 0.000 1.148 284 E HN 0.256 nan 8.360 nan 0.000 0.412 285 I N 2.966 123.273 120.570 -0.439 0.000 2.315 285 I HA 0.145 4.316 4.170 0.002 0.000 0.291 285 I C -0.326 175.491 176.117 -0.500 0.000 1.006 285 I CA -0.208 60.790 61.300 -0.503 0.000 1.265 285 I CB 0.563 38.008 38.000 -0.925 0.000 1.387 285 I HN 0.424 nan 8.210 nan 0.000 0.475 286 H N 6.023 124.972 119.070 -0.202 0.000 2.489 286 H HA 0.634 5.191 4.556 0.002 0.000 0.322 286 H C -0.668 174.599 175.328 -0.102 0.000 1.091 286 H CA -0.351 55.622 56.048 -0.125 0.000 1.291 286 H CB 0.932 30.642 29.762 -0.087 0.000 1.436 286 H HN 0.388 nan 8.280 nan 0.000 0.480 287 L N 2.567 123.808 121.223 0.030 0.000 2.334 287 L HA 0.317 4.658 4.340 0.002 0.000 0.273 287 L C 0.212 177.098 176.870 0.027 0.000 1.013 287 L CA -1.278 53.582 54.840 0.033 0.000 0.816 287 L CB 1.434 43.520 42.059 0.046 0.000 1.278 287 L HN 0.713 nan 8.230 nan 0.000 0.431 288 D N 1.386 121.794 120.400 0.014 0.000 2.398 288 D HA -0.011 4.630 4.640 0.002 0.000 0.264 288 D C 0.813 177.051 176.300 -0.104 0.000 1.263 288 D CA -0.441 53.531 54.000 -0.048 0.000 1.037 288 D CB 0.553 41.322 40.800 -0.052 0.000 1.101 288 D HN 0.616 nan 8.370 nan 0.000 0.551 289 K N -0.583 119.668 120.400 -0.249 0.000 2.362 289 K HA -0.177 4.144 4.320 0.002 0.000 0.200 289 K C 1.119 177.591 176.600 -0.213 0.000 1.046 289 K CA 1.102 57.239 56.287 -0.250 0.000 0.952 289 K CB -0.591 31.727 32.500 -0.304 0.000 0.753 289 K HN 0.524 nan 8.250 nan 0.000 0.466 290 H N -0.490 118.597 119.070 0.027 0.000 2.553 290 H HA 0.208 4.765 4.556 0.002 0.000 0.265 290 H C 0.941 176.290 175.328 0.034 0.000 0.964 290 H CA 0.224 56.288 56.048 0.027 0.000 1.156 290 H CB 0.868 30.644 29.762 0.024 0.000 1.411 290 H HN 0.537 nan 8.280 nan 0.000 0.558 291 G N 0.769 109.631 108.800 0.103 0.000 2.141 291 G HA2 -0.233 3.728 3.960 0.002 0.000 0.231 291 G HA3 -0.233 3.728 3.960 0.002 0.000 0.231 291 G C -0.667 174.314 174.900 0.134 0.000 0.984 291 G CA -0.116 45.046 45.100 0.104 0.000 0.660 291 G HN 0.329 nan 8.290 nan 0.000 0.525 292 D N 0.721 121.203 120.400 0.137 0.000 2.312 292 D HA 0.348 4.989 4.640 0.002 0.000 0.252 292 D C 1.265 177.641 176.300 0.127 0.000 1.150 292 D CA -0.176 53.907 54.000 0.138 0.000 0.870 292 D CB 1.032 41.919 40.800 0.145 0.000 1.153 292 D HN 0.530 nan 8.370 nan 0.000 0.457 293 M N 1.867 121.567 119.600 0.167 0.000 2.255 293 M HA -0.117 4.364 4.480 0.002 0.000 0.356 293 M C 0.650 176.984 176.300 0.056 0.000 1.338 293 M CA 1.058 56.423 55.300 0.109 0.000 0.962 293 M CB 0.625 33.325 32.600 0.167 0.000 1.877 293 M HN 0.450 nan 8.290 nan 0.000 0.463 294 E N 1.922 122.136 120.200 0.024 0.000 2.500 294 E HA 0.210 4.560 4.350 0.002 0.000 0.217 294 E C -0.740 175.866 176.600 0.011 0.000 0.848 294 E CA -0.118 56.295 56.400 0.023 0.000 1.217 294 E CB 0.905 30.620 29.700 0.025 0.000 1.217 294 E HN 0.766 nan 8.360 nan 0.000 0.573 295 S N -0.407 115.298 115.700 0.009 0.000 2.543 295 S HA 0.389 4.860 4.470 0.002 0.000 0.274 295 S C -1.771 172.839 174.600 0.016 0.000 1.149 295 S CA -0.609 57.604 58.200 0.021 0.000 0.866 295 S CB 1.895 65.116 63.200 0.034 0.000 1.111 295 S HN -0.056 nan 8.310 nan 0.000 0.457 296 V N 4.006 123.924 119.914 0.008 0.000 2.305 296 V HA 0.457 4.578 4.120 0.002 0.000 0.275 296 V C -0.112 175.992 176.094 0.017 0.000 1.020 296 V CA -0.520 61.767 62.300 -0.021 0.000 0.811 296 V CB 1.151 32.950 31.823 -0.040 0.000 1.031 296 V HN 0.803 nan 8.190 nan 0.000 0.439 297 E N 4.570 124.809 120.200 0.064 0.000 2.109 297 E HA 0.289 4.640 4.350 0.002 0.000 0.278 297 E C -0.252 176.361 176.600 0.022 0.000 0.954 297 E CA -0.604 55.841 56.400 0.075 0.000 0.779 297 E CB 0.970 30.799 29.700 0.216 0.000 1.093 297 E HN 0.829 nan 8.360 nan 0.000 0.401 298 N N 4.262 122.966 118.700 0.008 0.000 2.503 298 N HA 0.129 4.870 4.740 0.002 0.000 0.267 298 N C 0.345 175.856 175.510 0.001 0.000 1.214 298 N CA -0.160 52.888 53.050 -0.003 0.000 0.959 298 N CB 1.195 39.680 38.487 -0.004 0.000 1.142 298 N HN 0.505 nan 8.380 nan 0.000 0.455 299 I N -1.163 119.404 120.570 -0.006 0.000 4.033 299 I HA 0.170 4.341 4.170 0.002 0.000 0.296 299 I C -0.212 175.902 176.117 -0.004 0.000 1.210 299 I CA 0.288 61.585 61.300 -0.004 0.000 1.341 299 I CB 0.265 38.259 38.000 -0.010 0.000 1.369 299 I HN 0.532 nan 8.210 nan 0.000 0.453 300 E N 1.296 121.492 120.200 -0.006 0.000 2.275 300 E HA 0.324 4.675 4.350 0.002 0.000 0.270 300 E C -1.177 175.423 176.600 -0.001 0.000 0.882 300 E CA -0.420 55.978 56.400 -0.004 0.000 0.758 300 E CB 2.378 32.074 29.700 -0.006 0.000 1.195 300 E HN 0.083 nan 8.360 nan 0.000 0.419 301 E N 0.965 121.166 120.200 0.003 0.000 2.313 301 E HA 0.420 4.771 4.350 0.002 0.000 0.272 301 E C 0.062 176.669 176.600 0.011 0.000 1.038 301 E CA -0.614 55.791 56.400 0.008 0.000 0.863 301 E CB 1.234 30.940 29.700 0.010 0.000 1.060 301 E HN 0.515 nan 8.360 nan 0.000 0.402 302 G N 0.534 109.346 108.800 0.019 0.000 2.502 302 G HA2 0.466 4.427 3.960 0.002 0.000 0.305 302 G HA3 0.466 4.427 3.960 0.002 0.000 0.305 302 G C -0.719 174.196 174.900 0.025 0.000 1.190 302 G CA -0.403 44.709 45.100 0.021 0.000 0.933 302 G HN 0.453 nan 8.290 nan 0.000 0.503 303 S N -0.765 114.945 115.700 0.017 0.000 2.541 303 S HA 0.479 4.950 4.470 0.002 0.000 0.271 303 S C -0.589 174.009 174.600 -0.002 0.000 1.133 303 S CA -1.022 57.187 58.200 0.015 0.000 0.876 303 S CB 1.893 65.099 63.200 0.011 0.000 1.105 303 S HN 0.815 nan 8.310 nan 0.000 0.470 304 K N 1.133 121.528 120.400 -0.008 0.000 2.550 304 K HA 0.229 4.550 4.320 0.002 0.000 0.280 304 K C 0.964 177.544 176.600 -0.033 0.000 0.987 304 K CA 0.584 56.843 56.287 -0.045 0.000 1.048 304 K CB -0.369 32.113 32.500 -0.029 0.000 0.879 304 K HN 0.894 nan 8.250 nan 0.000 0.491 305 G N 3.427 112.194 108.800 -0.054 0.000 2.771 305 G HA2 -0.039 3.922 3.960 0.002 0.000 0.242 305 G HA3 -0.039 3.922 3.960 0.002 0.000 0.242 305 G C -0.363 174.545 174.900 0.013 0.000 1.233 305 G CA -0.463 44.626 45.100 -0.019 0.000 0.858 305 G HN 0.538 nan 8.290 nan 0.000 0.591 306 K N -0.022 120.400 120.400 0.038 0.000 2.098 306 K HA 0.240 4.561 4.320 0.002 0.000 0.244 306 K C 0.072 176.727 176.600 0.091 0.000 1.014 306 K CA -0.418 55.908 56.287 0.065 0.000 0.917 306 K CB 0.686 33.225 32.500 0.066 0.000 1.072 306 K HN 0.607 nan 8.250 nan 0.000 0.477 307 N N -0.002 118.780 118.700 0.136 0.000 2.384 307 N HA 0.511 5.252 4.740 0.002 0.000 0.301 307 N C -0.556 175.063 175.510 0.181 0.000 1.133 307 N CA -0.766 52.392 53.050 0.180 0.000 0.853 307 N CB 1.380 40.024 38.487 0.262 0.000 1.241 307 N HN 0.443 nan 8.380 nan 0.000 0.502 308 I N -2.481 118.168 120.570 0.131 0.000 2.493 308 I HA 0.547 4.718 4.170 0.002 0.000 0.298 308 I C -0.627 175.535 176.117 0.076 0.000 0.998 308 I CA -0.900 60.441 61.300 0.069 0.000 1.137 308 I CB 1.859 39.776 38.000 -0.139 0.000 1.310 308 I HN 0.330 nan 8.210 nan 0.000 0.445 309 K N 6.604 127.025 120.400 0.035 0.000 2.274 309 K HA 0.590 4.911 4.320 0.002 0.000 0.262 309 K C -0.963 175.645 176.600 0.014 0.000 0.961 309 K CA -0.655 55.605 56.287 -0.044 0.000 0.833 309 K CB 1.339 33.632 32.500 -0.345 0.000 1.102 309 K HN 0.740 nan 8.250 nan 0.000 0.436 310 L N 2.679 123.913 121.223 0.018 0.000 2.466 310 L HA 0.184 4.525 4.340 0.002 0.000 0.257 310 L C 1.714 178.610 176.870 0.044 0.000 1.189 310 L CA -0.446 54.410 54.840 0.027 0.000 0.813 310 L CB 0.880 42.952 42.059 0.023 0.000 1.118 310 L HN 0.863 nan 8.230 nan 0.000 0.471 311 T N -2.565 112.013 114.554 0.040 0.000 3.067 311 T HA 0.217 4.568 4.350 0.002 0.000 0.257 311 T C 0.626 175.348 174.700 0.035 0.000 1.105 311 T CA 0.129 62.246 62.100 0.028 0.000 1.104 311 T CB -0.220 68.623 68.868 -0.042 0.000 0.925 311 T HN 0.275 nan 8.240 nan 0.000 0.498 312 I N 2.421 123.017 120.570 0.044 0.000 2.395 312 I HA 0.265 4.436 4.170 0.002 0.000 0.289 312 I C 0.004 176.172 176.117 0.085 0.000 1.023 312 I CA -0.668 60.675 61.300 0.071 0.000 1.350 312 I CB 0.919 38.954 38.000 0.058 0.000 1.409 312 I HN 0.131 nan 8.210 nan 0.000 0.507 313 D N 5.621 126.092 120.400 0.119 0.000 2.280 313 D HA 0.104 4.745 4.640 0.002 0.000 0.243 313 D C 0.889 177.242 176.300 0.089 0.000 1.129 313 D CA -0.501 53.568 54.000 0.114 0.000 0.848 313 D CB 1.631 42.520 40.800 0.147 0.000 1.107 313 D HN 0.327 nan 8.370 nan 0.000 0.471 314 L N 4.569 125.829 121.223 0.062 0.000 2.051 314 L HA -0.243 4.098 4.340 0.002 0.000 0.214 314 L C 2.455 179.338 176.870 0.021 0.000 1.076 314 L CA 2.153 57.012 54.840 0.032 0.000 0.758 314 L CB -0.905 41.171 42.059 0.028 0.000 0.890 314 L HN 0.634 nan 8.230 nan 0.000 0.433 315 A N -1.585 121.262 122.820 0.044 0.000 1.877 315 A HA -0.263 4.058 4.320 0.002 0.000 0.216 315 A C 2.268 179.855 177.584 0.006 0.000 1.186 315 A CA 1.654 53.713 52.037 0.037 0.000 0.620 315 A CB -0.987 18.066 19.000 0.089 0.000 0.822 315 A HN 0.383 nan 8.150 nan 0.000 0.443 316 F N 0.697 120.525 119.950 -0.203 0.000 2.069 316 F HA -0.242 4.286 4.527 0.002 0.000 0.298 316 F C 2.487 178.230 175.800 -0.096 0.000 1.113 316 F CA 2.358 60.225 58.000 -0.222 0.000 1.214 316 F CB -0.656 38.141 39.000 -0.339 0.000 0.978 316 F HN 0.364 nan 8.300 nan 0.000 0.474 317 Q N 0.442 120.156 119.800 -0.143 0.000 2.135 317 Q HA -0.213 4.128 4.340 0.002 0.000 0.204 317 Q C 1.775 177.656 176.000 -0.199 0.000 0.981 317 Q CA 2.265 57.950 55.803 -0.197 0.000 0.856 317 Q CB -0.475 28.224 28.738 -0.066 0.000 0.902 317 Q HN 0.393 nan 8.270 nan 0.000 0.425 318 D N -0.699 119.622 120.400 -0.131 0.000 2.117 318 D HA -0.134 4.507 4.640 0.002 0.000 0.197 318 D C 1.987 178.211 176.300 -0.128 0.000 0.987 318 D CA 1.655 55.594 54.000 -0.102 0.000 0.829 318 D CB -0.350 40.418 40.800 -0.054 0.000 0.961 318 D HN 0.457 nan 8.370 nan 0.000 0.460 319 S N -0.127 115.475 115.700 -0.163 0.000 2.414 319 S HA -0.064 4.407 4.470 0.002 0.000 0.227 319 S C 2.199 176.677 174.600 -0.202 0.000 1.022 319 S CA 0.595 58.709 58.200 -0.142 0.000 0.958 319 S CB -0.479 62.674 63.200 -0.078 0.000 0.797 319 S HN 0.069 nan 8.310 nan 0.000 0.493 320 V N 2.970 122.663 119.914 -0.367 0.000 2.295 320 V HA -0.177 3.944 4.120 0.002 0.000 0.246 320 V C 2.489 178.470 176.094 -0.189 0.000 1.049 320 V CA 2.246 64.356 62.300 -0.317 0.000 1.024 320 V CB -0.998 30.548 31.823 -0.463 0.000 0.648 320 V HN 0.412 nan 8.190 nan 0.000 0.447 321 D N 0.624 120.917 120.400 -0.178 0.000 2.133 321 D HA -0.194 4.447 4.640 0.002 0.000 0.195 321 D C 2.204 178.444 176.300 -0.100 0.000 0.997 321 D CA 1.878 55.797 54.000 -0.137 0.000 0.840 321 D CB -0.420 40.307 40.800 -0.121 0.000 0.947 321 D HN 0.466 nan 8.370 nan 0.000 0.452 322 A N 0.421 123.192 122.820 -0.082 0.000 1.898 322 A HA -0.122 4.199 4.320 0.002 0.000 0.216 322 A C 2.183 179.757 177.584 -0.016 0.000 1.181 322 A CA 1.021 53.029 52.037 -0.048 0.000 0.620 322 A CB -0.778 18.198 19.000 -0.041 0.000 0.819 322 A HN 0.235 nan 8.150 nan 0.000 0.442 323 L N -0.738 120.483 121.223 -0.004 0.000 1.989 323 L HA -0.165 4.176 4.340 0.002 0.000 0.211 323 L C 2.227 179.184 176.870 0.144 0.000 1.071 323 L CA 1.797 56.691 54.840 0.090 0.000 0.749 323 L CB -0.556 41.550 42.059 0.079 0.000 0.890 323 L HN 0.280 nan 8.230 nan 0.000 0.431 324 L N -0.304 120.935 121.223 0.028 0.000 2.083 324 L HA -0.223 4.118 4.340 0.002 0.000 0.209 324 L C 2.563 179.453 176.870 0.034 0.000 1.083 324 L CA 1.719 56.558 54.840 -0.002 0.000 0.752 324 L CB -1.002 40.969 42.059 -0.146 0.000 0.899 324 L HN 0.323 nan 8.230 nan 0.000 0.433 325 K N -1.355 119.040 120.400 -0.009 0.000 2.097 325 K HA -0.150 4.171 4.320 0.002 0.000 0.205 325 K C 2.449 179.081 176.600 0.054 0.000 1.050 325 K CA 1.279 57.566 56.287 0.001 0.000 0.938 325 K CB -0.058 32.417 32.500 -0.041 0.000 0.718 325 K HN 0.248 nan 8.250 nan 0.000 0.442 326 S N -0.209 115.515 115.700 0.041 0.000 2.351 326 S HA -0.188 4.283 4.470 0.002 0.000 0.220 326 S C 1.898 176.497 174.600 -0.002 0.000 1.035 326 S CA 1.293 59.489 58.200 -0.006 0.000 1.031 326 S CB -0.428 62.738 63.200 -0.058 0.000 0.928 326 S HN 0.378 nan 8.310 nan 0.000 0.433 327 Y N 0.213 120.536 120.300 0.038 0.000 2.128 327 Y HA -0.096 4.455 4.550 0.002 0.000 0.284 327 Y C 2.190 178.163 175.900 0.122 0.000 1.154 327 Y CA 1.947 60.093 58.100 0.075 0.000 1.149 327 Y CB -0.711 37.817 38.460 0.113 0.000 0.976 327 Y HN 0.379 nan 8.280 nan 0.000 0.505 328 F N 0.881 120.917 119.950 0.144 0.000 2.134 328 F HA -0.260 4.268 4.527 0.002 0.000 0.299 328 F C 2.159 177.967 175.800 0.014 0.000 1.097 328 F CA 1.562 59.595 58.000 0.055 0.000 1.264 328 F CB -0.373 38.533 39.000 -0.157 0.000 1.001 328 F HN 0.033 nan 8.300 nan 0.000 0.479 329 N N -0.488 118.299 118.700 0.144 0.000 2.166 329 N HA -0.184 4.557 4.740 0.002 0.000 0.186 329 N C 2.140 177.622 175.510 -0.047 0.000 1.019 329 N CA 1.341 54.412 53.050 0.034 0.000 0.856 329 N CB -0.607 37.897 38.487 0.028 0.000 0.993 329 N HN 0.256 nan 8.380 nan 0.000 0.426 330 S N 0.876 116.547 115.700 -0.048 0.000 2.356 330 S HA -0.097 4.374 4.470 0.002 0.000 0.223 330 S C 1.544 176.084 174.600 -0.101 0.000 1.032 330 S CA 0.991 59.143 58.200 -0.081 0.000 1.005 330 S CB 0.008 63.144 63.200 -0.107 0.000 0.867 330 S HN 0.241 nan 8.310 nan 0.000 0.449 331 E N 0.871 121.001 120.200 -0.115 0.000 2.204 331 E HA -0.008 4.343 4.350 0.002 0.000 0.194 331 E C 2.067 178.516 176.600 -0.252 0.000 0.989 331 E CA 0.483 56.770 56.400 -0.188 0.000 0.824 331 E CB -0.299 29.278 29.700 -0.204 0.000 0.756 331 E HN 0.519 nan 8.360 nan 0.000 0.477 332 L N 0.112 121.162 121.223 -0.288 0.000 2.156 332 L HA -0.058 4.282 4.340 0.002 0.000 0.208 332 L C 2.450 179.236 176.870 -0.139 0.000 1.095 332 L CA 1.053 55.752 54.840 -0.235 0.000 0.770 332 L CB -0.626 41.311 42.059 -0.203 0.000 0.914 332 L HN 0.170 nan 8.230 nan 0.000 0.439 333 G N 1.180 109.912 108.800 -0.112 0.000 2.418 333 G HA2 -0.311 3.650 3.960 0.002 0.000 0.217 333 G HA3 -0.311 3.650 3.960 0.002 0.000 0.217 333 G C 1.181 176.032 174.900 -0.081 0.000 1.158 333 G CA 1.131 46.182 45.100 -0.081 0.000 0.771 333 G HN 0.603 nan 8.290 nan 0.000 0.545 334 N N -0.747 117.897 118.700 -0.094 0.000 2.336 334 N HA 0.310 5.051 4.740 0.002 0.000 0.189 334 N C 1.448 176.906 175.510 -0.087 0.000 1.113 334 N CA 1.035 54.035 53.050 -0.083 0.000 0.858 334 N CB 0.286 38.722 38.487 -0.085 0.000 0.970 334 N HN 0.523 nan 8.380 nan 0.000 0.471 335 G N -1.360 107.376 108.800 -0.107 0.000 2.213 335 G HA2 -0.232 3.729 3.960 0.002 0.000 0.226 335 G HA3 -0.232 3.729 3.960 0.002 0.000 0.226 335 G C 1.078 175.908 174.900 -0.116 0.000 0.992 335 G CA 0.091 45.128 45.100 -0.106 0.000 0.632 335 G HN 0.629 nan 8.290 nan 0.000 0.511 336 G N 0.658 109.378 108.800 -0.132 0.000 2.448 336 G HA2 0.279 4.240 3.960 0.002 0.000 0.219 336 G HA3 0.279 4.240 3.960 0.002 0.000 0.219 336 G C 1.537 176.353 174.900 -0.141 0.000 1.127 336 G CA 2.055 47.072 45.100 -0.137 0.000 0.766 336 G HN 1.653 nan 8.290 nan 0.000 0.552 337 A N -0.263 122.435 122.820 -0.204 0.000 2.379 337 A HA 0.396 4.717 4.320 0.002 0.000 0.236 337 A C 1.837 179.355 177.584 -0.110 0.000 1.272 337 A CA 0.769 52.682 52.037 -0.207 0.000 0.886 337 A CB -0.148 18.464 19.000 -0.648 0.000 0.962 337 A HN 0.339 nan 8.150 nan 0.000 0.504 338 K N -0.608 119.703 120.400 -0.148 0.000 2.032 338 K HA -0.178 4.143 4.320 0.002 0.000 0.209 338 K C 0.336 176.784 176.600 -0.253 0.000 1.048 338 K CA 1.792 57.918 56.287 -0.269 0.000 0.927 338 K CB -0.219 31.972 32.500 -0.515 0.000 0.712 338 K HN 0.546 nan 8.250 nan 0.000 0.441 339 Y N 0.217 120.637 120.300 0.199 0.000 2.571 339 Y HA 0.245 4.796 4.550 0.002 0.000 0.275 339 Y C 0.284 176.359 175.900 0.291 0.000 1.179 339 Y CA -0.429 57.790 58.100 0.200 0.000 1.242 339 Y CB 0.530 39.047 38.460 0.094 0.000 1.126 339 Y HN -0.099 nan 8.280 nan 0.000 0.524 340 S N 0.685 116.683 115.700 0.497 0.000 2.523 340 S HA 0.103 4.574 4.470 0.002 0.000 0.275 340 S C 0.877 175.874 174.600 0.662 0.000 1.281 340 S CA -0.531 58.029 58.200 0.599 0.000 1.050 340 S CB 0.750 64.333 63.200 0.638 0.000 0.937 340 S HN 0.428 nan 8.310 nan 0.000 0.492 341 E N 3.187 123.695 120.200 0.513 0.000 2.478 341 E HA 0.322 4.673 4.350 0.002 0.000 0.198 341 E C 1.032 177.807 176.600 0.292 0.000 1.046 341 E CA 0.575 57.206 56.400 0.385 0.000 0.870 341 E CB -0.074 29.852 29.700 0.377 0.000 0.818 341 E HN 0.825 nan 8.360 nan 0.000 0.527 342 G N -1.138 107.791 108.800 0.215 0.000 2.340 342 G HA2 0.187 4.148 3.960 0.002 0.000 0.282 342 G HA3 0.187 4.148 3.960 0.002 0.000 0.282 342 G C -1.786 172.867 174.900 -0.413 0.000 1.312 342 G CA -0.429 44.442 45.100 -0.382 0.000 0.942 342 G HN 0.251 nan 8.290 nan 0.000 0.495 343 V N -0.417 119.001 119.914 -0.827 0.000 2.932 343 V HA 0.872 4.993 4.120 0.002 0.000 0.307 343 V C -1.804 173.757 176.094 -0.888 0.000 1.147 343 V CA -0.881 60.984 62.300 -0.725 0.000 0.951 343 V CB 1.835 33.158 31.823 -0.833 0.000 1.031 343 V HN 1.109 nan 8.190 nan 0.000 0.426 344 Y N 3.575 123.690 120.300 -0.308 0.000 2.524 344 Y HA 0.887 5.438 4.550 0.002 0.000 0.347 344 Y C 0.119 175.929 175.900 -0.150 0.000 1.005 344 Y CA -0.151 57.823 58.100 -0.210 0.000 1.025 344 Y CB 2.571 40.904 38.460 -0.213 0.000 1.275 344 Y HN 0.942 nan 8.280 nan 0.000 0.460 345 A N 1.669 124.499 122.820 0.016 0.000 2.488 345 A HA 0.860 5.181 4.320 0.002 0.000 0.298 345 A C -2.049 175.550 177.584 0.024 0.000 1.044 345 A CA -0.686 51.353 52.037 0.003 0.000 0.693 345 A CB 1.397 20.369 19.000 -0.045 0.000 1.272 345 A HN 0.470 nan 8.150 nan 0.000 0.402 346 V N 1.141 121.077 119.914 0.037 0.000 2.623 346 V HA 0.754 4.875 4.120 0.002 0.000 0.304 346 V C 0.130 176.244 176.094 0.033 0.000 1.054 346 V CA -0.161 62.161 62.300 0.038 0.000 0.882 346 V CB 1.712 33.566 31.823 0.053 0.000 1.002 346 V HN 1.515 nan 8.190 nan 0.000 0.424 347 A N 6.081 128.919 122.820 0.030 0.000 2.330 347 A HA 0.970 5.291 4.320 0.002 0.000 0.327 347 A C -1.060 176.498 177.584 -0.043 0.000 1.155 347 A CA -0.485 51.555 52.037 0.005 0.000 0.803 347 A CB 1.004 20.039 19.000 0.058 0.000 1.208 347 A HN 0.775 nan 8.150 nan 0.000 0.477 348 L N 1.598 122.775 121.223 -0.076 0.000 2.371 348 L HA 0.446 4.787 4.340 0.002 0.000 0.262 348 L C -0.224 176.561 176.870 -0.141 0.000 1.006 348 L CA -1.146 53.636 54.840 -0.096 0.000 0.818 348 L CB 2.019 44.050 42.059 -0.046 0.000 1.354 348 L HN 0.752 nan 8.230 nan 0.000 0.415 349 N N 3.566 122.176 118.700 -0.149 0.000 2.401 349 N HA 0.158 4.899 4.740 0.002 0.000 0.255 349 N C -1.849 173.622 175.510 -0.065 0.000 1.110 349 N CA -1.731 51.245 53.050 -0.122 0.000 0.949 349 N CB 1.376 39.797 38.487 -0.110 0.000 1.110 349 N HN 0.334 nan 8.380 nan 0.000 0.490 350 P HA -0.054 nan 4.420 nan 0.000 0.233 350 P C 0.505 177.790 177.300 -0.025 0.000 1.167 350 P CA 0.968 64.043 63.100 -0.042 0.000 0.770 350 P CB 0.555 32.212 31.700 -0.072 0.000 0.837 351 Q N -0.469 119.324 119.800 -0.012 0.000 2.354 351 Q HA 0.005 4.346 4.340 0.002 0.000 0.203 351 Q C 1.614 177.632 176.000 0.029 0.000 0.933 351 Q CA 1.753 57.560 55.803 0.007 0.000 0.901 351 Q CB 0.086 28.834 28.738 0.017 0.000 1.007 351 Q HN 0.359 nan 8.270 nan 0.000 0.495 352 T N -6.627 107.952 114.554 0.041 0.000 3.028 352 T HA 0.317 4.668 4.350 0.002 0.000 0.262 352 T C 1.259 176.053 174.700 0.156 0.000 0.916 352 T CA 0.505 62.668 62.100 0.104 0.000 0.873 352 T CB 1.015 69.963 68.868 0.133 0.000 1.232 352 T HN 0.267 nan 8.240 nan 0.000 0.529 353 G N 1.859 110.688 108.800 0.048 0.000 2.176 353 G HA2 -0.008 3.953 3.960 0.002 0.000 0.253 353 G HA3 -0.008 3.953 3.960 0.002 0.000 0.253 353 G C 0.437 175.190 174.900 -0.245 0.000 0.979 353 G CA -0.051 45.061 45.100 0.021 0.000 0.641 353 G HN 1.403 nan 8.290 nan 0.000 0.530 354 A N 0.037 122.639 122.820 -0.364 0.000 2.540 354 A HA 0.521 4.842 4.320 0.002 0.000 0.239 354 A C 0.753 178.165 177.584 -0.286 0.000 1.061 354 A CA 0.712 52.426 52.037 -0.539 0.000 0.758 354 A CB 0.619 19.463 19.000 -0.259 0.000 0.991 354 A HN 1.185 nan 8.150 nan 0.000 0.502 355 V N 5.139 124.910 119.914 -0.238 0.000 2.408 355 V HA 0.075 4.196 4.120 0.002 0.000 0.267 355 V C 1.217 177.273 176.094 -0.063 0.000 1.047 355 V CA 0.128 62.364 62.300 -0.106 0.000 0.937 355 V CB 0.700 32.494 31.823 -0.048 0.000 0.999 355 V HN 0.869 nan 8.190 nan 0.000 0.472 356 L N 3.832 125.021 121.223 -0.057 0.000 2.162 356 L HA 0.162 4.503 4.340 0.002 0.000 0.205 356 L C 0.874 177.861 176.870 0.196 0.000 1.086 356 L CA 0.825 55.660 54.840 -0.007 0.000 0.778 356 L CB 0.038 41.968 42.059 -0.214 0.000 0.928 356 L HN 0.827 nan 8.230 nan 0.000 0.446 357 S N -0.926 114.858 115.700 0.139 0.000 2.565 357 S HA 0.591 5.062 4.470 0.002 0.000 0.274 357 S C -1.016 173.600 174.600 0.028 0.000 1.144 357 S CA -0.914 57.336 58.200 0.083 0.000 0.849 357 S CB 1.478 64.690 63.200 0.019 0.000 1.103 357 S HN 0.070 nan 8.310 nan 0.000 0.455 358 M N 2.143 121.745 119.600 0.004 0.000 2.067 358 M HA 0.539 5.020 4.480 0.002 0.000 0.286 358 M C -0.959 175.335 176.300 -0.010 0.000 0.922 358 M CA -0.384 54.923 55.300 0.011 0.000 0.937 358 M CB 1.983 34.595 32.600 0.020 0.000 1.550 358 M HN 0.583 nan 8.290 nan 0.000 0.433 359 S N 1.184 116.871 115.700 -0.021 0.000 2.526 359 S HA 0.961 5.432 4.470 0.002 0.000 0.293 359 S C -0.331 174.222 174.600 -0.078 0.000 1.092 359 S CA -0.799 57.357 58.200 -0.074 0.000 0.980 359 S CB 2.305 65.427 63.200 -0.131 0.000 1.048 359 S HN 0.857 nan 8.310 nan 0.000 0.483 360 G N 1.065 109.769 108.800 -0.159 0.000 2.733 360 G HA2 0.627 4.588 3.960 0.002 0.000 0.297 360 G HA3 0.627 4.588 3.960 0.002 0.000 0.297 360 G C -2.282 172.304 174.900 -0.522 0.000 1.422 360 G CA -0.451 44.379 45.100 -0.450 0.000 0.942 360 G HN 0.536 nan 8.290 nan 0.000 0.510 361 L N 0.925 121.642 121.223 -0.844 0.000 2.376 361 L HA 0.670 5.011 4.340 0.002 0.000 0.275 361 L C -0.211 176.286 176.870 -0.623 0.000 0.987 361 L CA -0.909 53.578 54.840 -0.589 0.000 0.828 361 L CB 1.837 43.548 42.059 -0.580 0.000 1.249 361 L HN 0.522 nan 8.230 nan 0.000 0.409 362 K N 3.909 124.118 120.400 -0.318 0.000 2.185 362 K HA 0.325 4.646 4.320 0.002 0.000 0.269 362 K C -1.187 175.331 176.600 -0.136 0.000 0.987 362 K CA -0.534 55.671 56.287 -0.137 0.000 0.865 362 K CB 0.634 33.140 32.500 0.011 0.000 1.090 362 K HN 0.814 nan 8.250 nan 0.000 0.450 363 H N 4.179 123.123 119.070 -0.210 0.000 2.638 363 H HA 0.088 4.645 4.556 0.002 0.000 0.303 363 H C -1.126 174.216 175.328 0.024 0.000 1.034 363 H CA -0.689 55.288 56.048 -0.119 0.000 1.225 363 H CB 1.071 30.776 29.762 -0.095 0.000 1.394 363 H HN 0.693 nan 8.280 nan 0.000 0.477 364 D N 5.596 125.870 120.400 -0.211 0.000 2.382 364 D HA -0.023 4.618 4.640 0.002 0.000 0.259 364 D C 1.246 177.342 176.300 -0.341 0.000 1.224 364 D CA -0.066 53.818 54.000 -0.194 0.000 0.894 364 D CB 0.904 41.651 40.800 -0.089 0.000 1.127 364 D HN 0.692 nan 8.370 nan 0.000 0.487 365 L N 3.422 124.519 121.223 -0.210 0.000 2.610 365 L HA -0.039 4.302 4.340 0.002 0.000 0.232 365 L C 1.864 178.703 176.870 -0.051 0.000 1.149 365 L CA 0.544 55.299 54.840 -0.141 0.000 0.872 365 L CB -0.009 42.053 42.059 0.004 0.000 0.992 365 L HN 0.239 nan 8.230 nan 0.000 0.447 366 K N -0.556 119.815 120.400 -0.050 0.000 2.262 366 K HA 0.026 4.347 4.320 0.002 0.000 0.200 366 K C 2.011 178.605 176.600 -0.010 0.000 1.058 366 K CA 1.218 57.498 56.287 -0.013 0.000 0.974 366 K CB 0.137 32.633 32.500 -0.006 0.000 0.910 366 K HN 0.205 nan 8.250 nan 0.000 0.484 367 T N -3.059 111.481 114.554 -0.023 0.000 3.015 367 T HA 0.223 4.574 4.350 0.002 0.000 0.250 367 T C 1.577 176.283 174.700 0.010 0.000 1.057 367 T CA 0.547 62.645 62.100 -0.003 0.000 1.066 367 T CB 0.637 69.504 68.868 -0.002 0.000 0.959 367 T HN 0.309 nan 8.240 nan 0.000 0.488 368 G N 1.242 110.032 108.800 -0.016 0.000 2.199 368 G HA2 -0.270 3.691 3.960 0.002 0.000 0.254 368 G HA3 -0.270 3.691 3.960 0.002 0.000 0.254 368 G C -0.103 174.887 174.900 0.150 0.000 0.982 368 G CA 0.275 45.422 45.100 0.080 0.000 0.632 368 G HN 0.805 nan 8.290 nan 0.000 0.529 369 E N 0.159 120.398 120.200 0.065 0.000 2.398 369 E HA 0.458 4.809 4.350 0.002 0.000 0.263 369 E C 0.208 176.858 176.600 0.083 0.000 1.046 369 E CA -0.275 56.164 56.400 0.065 0.000 0.908 369 E CB 0.215 29.929 29.700 0.023 0.000 0.963 369 E HN 0.364 nan 8.360 nan 0.000 0.431 370 L N 3.221 124.475 121.223 0.051 0.000 2.322 370 L HA 0.417 4.758 4.340 0.002 0.000 0.281 370 L C -0.145 176.698 176.870 -0.046 0.000 1.014 370 L CA -0.594 54.239 54.840 -0.011 0.000 0.815 370 L CB 1.776 43.811 42.059 -0.040 0.000 1.247 370 L HN 0.627 nan 8.230 nan 0.000 0.421 371 T N 0.199 114.708 114.554 -0.075 0.000 2.912 371 T HA 0.549 4.900 4.350 0.002 0.000 0.299 371 T C -2.913 171.730 174.700 -0.096 0.000 1.052 371 T CA -2.210 59.851 62.100 -0.065 0.000 0.996 371 T CB 2.068 70.915 68.868 -0.034 0.000 1.070 371 T HN 0.163 nan 8.240 nan 0.000 0.465 372 P HA 0.299 nan 4.420 nan 0.000 0.266 372 P C -0.532 176.728 177.300 -0.066 0.000 1.195 372 P CA 0.315 63.357 63.100 -0.097 0.000 0.768 372 P CB 0.390 32.045 31.700 -0.075 0.000 0.838 373 D N 0.858 121.220 120.400 -0.062 0.000 3.100 373 D HA 0.085 4.726 4.640 0.002 0.000 0.350 373 D C 0.853 177.209 176.300 0.093 0.000 1.310 373 D CA -0.084 53.938 54.000 0.036 0.000 0.741 373 D CB -0.193 40.682 40.800 0.125 0.000 1.248 373 D HN -0.047 nan 8.370 nan 0.000 0.527 374 S N -0.346 115.359 115.700 0.009 0.000 2.387 374 S HA -0.152 4.319 4.470 0.002 0.000 0.230 374 S C 1.944 176.564 174.600 0.034 0.000 1.035 374 S CA 0.807 59.015 58.200 0.014 0.000 1.014 374 S CB -0.043 63.131 63.200 -0.043 0.000 0.836 374 S HN 0.508 nan 8.310 nan 0.000 0.466 375 L N 1.136 122.348 121.223 -0.017 0.000 2.362 375 L HA -0.009 4.332 4.340 0.002 0.000 0.219 375 L C 2.597 179.488 176.870 0.034 0.000 1.134 375 L CA 0.624 55.440 54.840 -0.039 0.000 0.807 375 L CB -0.969 41.012 42.059 -0.129 0.000 0.927 375 L HN 0.407 nan 8.230 nan 0.000 0.447 376 G N 0.228 109.090 108.800 0.102 0.000 2.462 376 G HA2 -0.304 3.657 3.960 0.002 0.000 0.220 376 G HA3 -0.304 3.657 3.960 0.002 0.000 0.220 376 G C 1.687 176.550 174.900 -0.062 0.000 1.121 376 G CA 1.347 46.465 45.100 0.030 0.000 0.758 376 G HN 0.477 nan 8.290 nan 0.000 0.559 377 T N -0.799 113.795 114.554 0.068 0.000 2.915 377 T HA -0.089 4.262 4.350 0.002 0.000 0.269 377 T C 2.145 176.878 174.700 0.054 0.000 1.071 377 T CA 1.789 63.933 62.100 0.073 0.000 1.132 377 T CB -0.244 68.686 68.868 0.104 0.000 0.878 377 T HN 0.601 nan 8.240 nan 0.000 0.479 378 V N -0.808 119.133 119.914 0.046 0.000 3.605 378 V HA 0.372 4.493 4.120 0.002 0.000 0.284 378 V C 2.074 178.190 176.094 0.037 0.000 1.386 378 V CA 0.581 62.913 62.300 0.053 0.000 1.053 378 V CB -0.249 31.618 31.823 0.073 0.000 0.857 378 V HN 0.635 nan 8.190 nan 0.000 0.436 379 T N -3.351 111.209 114.554 0.011 0.000 2.959 379 T HA 0.310 4.661 4.350 0.002 0.000 0.254 379 T C 0.613 175.265 174.700 -0.080 0.000 1.003 379 T CA -0.062 62.034 62.100 -0.007 0.000 0.950 379 T CB -0.053 68.832 68.868 0.028 0.000 1.090 379 T HN 0.399 nan 8.240 nan 0.000 0.503 380 N N 1.602 120.215 118.700 -0.145 0.000 2.384 380 N HA 0.607 5.348 4.740 0.002 0.000 0.301 380 N C -0.941 174.260 175.510 -0.514 0.000 1.133 380 N CA -0.397 52.451 53.050 -0.335 0.000 0.853 380 N CB 2.694 40.945 38.487 -0.394 0.000 1.241 380 N HN 0.336 nan 8.380 nan 0.000 0.502 381 V N -1.366 118.075 119.914 -0.789 0.000 2.864 381 V HA 0.823 4.944 4.120 0.002 0.000 0.314 381 V C -1.188 174.298 176.094 -1.013 0.000 1.073 381 V CA -0.671 61.252 62.300 -0.628 0.000 0.956 381 V CB 1.371 33.014 31.823 -0.301 0.000 1.023 381 V HN 0.488 nan 8.190 nan 0.000 0.435 382 F N 1.543 121.438 119.950 -0.091 0.000 2.619 382 F HA 0.655 5.183 4.527 0.001 0.000 0.308 382 F C 0.033 175.757 175.800 -0.127 0.000 1.097 382 F CA -0.931 57.021 58.000 -0.079 0.000 0.953 382 F CB 2.064 41.038 39.000 -0.043 0.000 1.287 382 F HN 0.702 nan 8.300 nan 0.000 0.446 383 V N 1.892 121.833 119.914 0.045 0.000 2.540 383 V HA 0.227 4.348 4.120 0.002 0.000 0.297 383 V C -1.998 174.098 176.094 0.003 0.000 1.024 383 V CA -0.595 61.675 62.300 -0.050 0.000 1.105 383 V CB 0.882 32.681 31.823 -0.040 0.000 0.938 383 V HN 0.718 nan 8.190 nan 0.000 0.482 384 P HA 0.256 nan 4.420 nan 0.000 0.234 384 P C 0.994 178.323 177.300 0.048 0.000 1.175 384 P CA 1.202 64.336 63.100 0.056 0.000 0.801 384 P CB 0.123 31.896 31.700 0.123 0.000 0.891 385 G N 0.718 109.536 108.800 0.030 0.000 2.575 385 G HA2 -0.300 3.661 3.960 0.002 0.000 0.267 385 G HA3 -0.300 3.661 3.960 0.002 0.000 0.267 385 G C 1.003 175.959 174.900 0.093 0.000 1.264 385 G CA 0.284 45.425 45.100 0.069 0.000 0.935 385 G HN 0.157 nan 8.290 nan 0.000 0.568 386 S N 0.238 116.002 115.700 0.107 0.000 2.507 386 S HA 0.004 4.475 4.470 0.002 0.000 0.235 386 S C 2.650 177.319 174.600 0.116 0.000 0.988 386 S CA 1.945 60.221 58.200 0.126 0.000 0.944 386 S CB -0.414 62.851 63.200 0.109 0.000 0.762 386 S HN 1.655 nan 8.310 nan 0.000 0.526 387 V N 0.898 120.879 119.914 0.111 0.000 2.453 387 V HA -0.123 3.998 4.120 0.002 0.000 0.252 387 V C 2.062 178.321 176.094 0.274 0.000 1.068 387 V CA 1.805 64.206 62.300 0.167 0.000 1.070 387 V CB -1.556 30.383 31.823 0.194 0.000 0.664 387 V HN 0.506 nan 8.190 nan 0.000 0.461 388 V N -2.306 117.682 119.914 0.125 0.000 3.510 388 V HA 0.113 4.234 4.120 0.002 0.000 0.270 388 V C 2.228 178.377 176.094 0.092 0.000 1.201 388 V CA 1.214 63.478 62.300 -0.059 0.000 1.166 388 V CB -1.196 30.431 31.823 -0.327 0.000 0.825 388 V HN 0.512 nan 8.190 nan 0.000 0.484 389 K N 1.304 121.823 120.400 0.198 0.000 2.209 389 K HA 0.037 4.358 4.320 0.002 0.000 0.204 389 K C 2.321 179.056 176.600 0.225 0.000 1.048 389 K CA 1.405 57.818 56.287 0.211 0.000 0.940 389 K CB -0.347 32.270 32.500 0.196 0.000 0.729 389 K HN 0.624 nan 8.250 nan 0.000 0.451 390 A N 1.294 124.301 122.820 0.311 0.000 2.015 390 A HA -0.070 4.251 4.320 0.002 0.000 0.219 390 A C 2.286 179.965 177.584 0.159 0.000 1.163 390 A CA 1.661 53.856 52.037 0.264 0.000 0.646 390 A CB -0.437 18.760 19.000 0.328 0.000 0.806 390 A HN 0.321 nan 8.150 nan 0.000 0.448 391 A N -1.016 121.880 122.820 0.126 0.000 1.929 391 A HA 0.009 4.330 4.320 0.002 0.000 0.216 391 A C 2.252 179.997 177.584 0.268 0.000 1.176 391 A CA 1.985 54.103 52.037 0.136 0.000 0.628 391 A CB -0.990 18.047 19.000 0.062 0.000 0.816 391 A HN 0.405 nan 8.150 nan 0.000 0.444 392 T N 0.615 115.341 114.554 0.286 0.000 2.777 392 T HA -0.084 4.267 4.350 0.002 0.000 0.266 392 T C 1.782 176.485 174.700 0.005 0.000 1.040 392 T CA 1.494 63.675 62.100 0.134 0.000 1.141 392 T CB -0.431 68.537 68.868 0.167 0.000 0.868 392 T HN 0.430 nan 8.240 nan 0.000 0.444 393 I N 1.361 121.917 120.570 -0.023 0.000 2.208 393 I HA -0.197 3.974 4.170 0.002 0.000 0.245 393 I C 2.705 178.581 176.117 -0.401 0.000 1.097 393 I CA 0.971 62.112 61.300 -0.265 0.000 1.363 393 I CB -0.499 37.304 38.000 -0.328 0.000 1.051 393 I HN 0.182 nan 8.210 nan 0.000 0.413 394 S N 0.048 115.712 115.700 -0.060 0.000 2.370 394 S HA -0.233 4.238 4.470 0.002 0.000 0.226 394 S C 2.190 176.891 174.600 0.168 0.000 1.033 394 S CA 1.872 60.213 58.200 0.234 0.000 1.011 394 S CB -0.369 63.102 63.200 0.452 0.000 0.852 394 S HN 0.427 nan 8.310 nan 0.000 0.457 395 S N 0.743 116.486 115.700 0.072 0.000 2.399 395 S HA -0.067 4.404 4.470 0.002 0.000 0.231 395 S C 2.032 176.640 174.600 0.014 0.000 1.022 395 S CA 1.320 59.534 58.200 0.024 0.000 0.983 395 S CB -0.750 62.401 63.200 -0.081 0.000 0.803 395 S HN 0.632 nan 8.310 nan 0.000 0.480 396 G N 0.404 109.166 108.800 -0.063 0.000 2.418 396 G HA2 -0.195 3.766 3.960 0.002 0.000 0.217 396 G HA3 -0.195 3.766 3.960 0.002 0.000 0.217 396 G C 1.237 176.146 174.900 0.014 0.000 1.158 396 G CA 0.812 45.858 45.100 -0.089 0.000 0.771 396 G HN 0.516 nan 8.290 nan 0.000 0.545 397 W N 1.208 122.556 121.300 0.080 0.000 2.355 397 W HA 0.040 4.702 4.660 0.002 0.000 0.309 397 W C 2.556 179.103 176.519 0.048 0.000 1.206 397 W CA 1.090 58.474 57.345 0.066 0.000 1.284 397 W CB -0.853 28.649 29.460 0.071 0.000 1.145 397 W HN 0.430 nan 8.180 nan 0.000 0.502 398 E N -0.209 120.151 120.200 0.268 0.000 2.110 398 E HA -0.166 4.185 4.350 0.002 0.000 0.193 398 E C 1.288 177.954 176.600 0.110 0.000 0.988 398 E CA 0.977 57.472 56.400 0.159 0.000 0.804 398 E CB -0.392 29.380 29.700 0.120 0.000 0.745 398 E HN 0.246 nan 8.360 nan 0.000 0.458 399 N N -0.256 118.502 118.700 0.097 0.000 2.276 399 N HA 0.046 4.787 4.740 0.002 0.000 0.212 399 N C 0.506 176.060 175.510 0.073 0.000 1.127 399 N CA 0.672 53.763 53.050 0.069 0.000 0.834 399 N CB 1.424 39.941 38.487 0.051 0.000 1.014 399 N HN 0.233 nan 8.380 nan 0.000 0.491 400 G N 0.505 109.364 108.800 0.098 0.000 2.153 400 G HA2 -0.275 3.686 3.960 0.002 0.000 0.252 400 G HA3 -0.275 3.686 3.960 0.002 0.000 0.252 400 G C 0.890 175.840 174.900 0.085 0.000 0.994 400 G CA 0.509 45.664 45.100 0.093 0.000 0.698 400 G HN 0.258 nan 8.290 nan 0.000 0.521 401 V N -0.591 119.370 119.914 0.079 0.000 2.725 401 V HA 0.353 4.474 4.120 0.002 0.000 0.247 401 V C 1.403 177.528 176.094 0.052 0.000 1.058 401 V CA 1.456 63.785 62.300 0.048 0.000 1.080 401 V CB 0.050 31.884 31.823 0.017 0.000 0.713 401 V HN 0.385 nan 8.190 nan 0.000 0.465 402 L N -0.492 120.790 121.223 0.099 0.000 2.381 402 L HA 0.561 4.902 4.340 0.002 0.000 0.268 402 L C -0.492 176.587 176.870 0.348 0.000 0.997 402 L CA -0.118 54.806 54.840 0.141 0.000 0.818 402 L CB 2.224 44.263 42.059 -0.032 0.000 1.310 402 L HN -0.020 nan 8.230 nan 0.000 0.416 403 S N 1.250 117.138 115.700 0.313 0.000 2.566 403 S HA 0.695 5.166 4.470 0.002 0.000 0.324 403 S C 0.316 175.098 174.600 0.303 0.000 1.081 403 S CA 0.329 58.700 58.200 0.286 0.000 1.105 403 S CB 0.850 64.145 63.200 0.157 0.000 0.981 403 S HN 1.008 nan 8.310 nan 0.000 0.464 404 G N 4.880 113.828 108.800 0.247 0.000 2.581 404 G HA2 -0.330 3.631 3.960 0.002 0.000 0.291 404 G HA3 -0.330 3.631 3.960 0.002 0.000 0.291 404 G C 0.151 175.312 174.900 0.435 0.000 1.277 404 G CA 0.378 45.573 45.100 0.159 0.000 0.959 404 G HN 0.804 nan 8.290 nan 0.000 0.554 405 N N 1.356 120.218 118.700 0.271 0.000 3.259 405 N HA 0.201 4.942 4.740 0.002 0.000 0.308 405 N C 0.557 176.216 175.510 0.249 0.000 1.334 405 N CA 0.602 53.820 53.050 0.279 0.000 1.202 405 N CB -0.263 38.324 38.487 0.167 0.000 1.485 405 N HN 0.686 nan 8.380 nan 0.000 0.549 406 Q N 0.131 120.122 119.800 0.319 0.000 2.364 406 Q HA 0.082 4.423 4.340 0.002 0.000 0.267 406 Q C -0.578 175.601 176.000 0.297 0.000 0.999 406 Q CA 0.186 56.148 55.803 0.265 0.000 0.886 406 Q CB 0.586 29.469 28.738 0.241 0.000 1.243 406 Q HN 0.263 nan 8.270 nan 0.000 0.415 407 T N 4.779 119.460 114.554 0.212 0.000 2.817 407 T HA 0.474 4.825 4.350 0.002 0.000 0.293 407 T C -0.301 174.505 174.700 0.176 0.000 0.964 407 T CA -0.324 61.902 62.100 0.210 0.000 1.085 407 T CB 0.344 69.301 68.868 0.147 0.000 0.921 407 T HN 0.449 nan 8.240 nan 0.000 0.502 408 L N 1.610 122.955 121.223 0.204 0.000 2.257 408 L HA 0.546 4.887 4.340 0.002 0.000 0.257 408 L C 0.197 177.112 176.870 0.076 0.000 1.033 408 L CA -1.166 53.722 54.840 0.080 0.000 0.835 408 L CB 2.165 44.180 42.059 -0.072 0.000 1.398 408 L HN 0.476 nan 8.230 nan 0.000 0.429 409 T N -0.004 114.559 114.554 0.014 0.000 2.743 409 T HA 0.099 4.450 4.350 0.002 0.000 0.293 409 T C -0.425 174.202 174.700 -0.122 0.000 0.945 409 T CA -0.281 61.797 62.100 -0.037 0.000 1.030 409 T CB 0.630 69.490 68.868 -0.013 0.000 0.912 409 T HN 0.362 nan 8.240 nan 0.000 0.483 410 D N 4.141 124.375 120.400 -0.278 0.000 2.339 410 D HA 0.124 4.765 4.640 0.002 0.000 0.256 410 D C -0.059 176.018 176.300 -0.371 0.000 1.214 410 D CA 0.007 53.768 54.000 -0.398 0.000 0.877 410 D CB 0.546 40.864 40.800 -0.803 0.000 1.111 410 D HN 0.665 nan 8.370 nan 0.000 0.478 411 Q N 2.060 121.718 119.800 -0.238 0.000 2.482 411 Q HA 0.548 4.889 4.340 0.002 0.000 0.286 411 Q C -2.997 172.860 176.000 -0.239 0.000 1.007 411 Q CA -1.959 53.742 55.803 -0.169 0.000 0.801 411 Q CB 1.437 30.118 28.738 -0.096 0.000 1.455 411 Q HN 0.065 nan 8.270 nan 0.000 0.398 412 P HA 0.139 nan 4.420 nan 0.000 0.269 412 P C -0.731 176.283 177.300 -0.478 0.000 1.209 412 P CA -0.094 62.712 63.100 -0.490 0.000 0.776 412 P CB 0.389 31.741 31.700 -0.580 0.000 0.876 413 I N 2.741 122.946 120.570 -0.608 0.000 2.339 413 I HA 0.220 4.391 4.170 0.002 0.000 0.290 413 I C -0.229 175.507 176.117 -0.635 0.000 0.994 413 I CA -0.684 60.141 61.300 -0.792 0.000 1.191 413 I CB 1.156 38.634 38.000 -0.869 0.000 1.343 413 I HN 0.017 nan 8.210 nan 0.000 0.458 414 V N 7.472 127.139 119.914 -0.411 0.000 2.349 414 V HA 0.432 4.553 4.120 0.002 0.000 0.284 414 V C -0.529 175.456 176.094 -0.181 0.000 1.014 414 V CA -0.534 61.619 62.300 -0.245 0.000 0.826 414 V CB 1.130 32.891 31.823 -0.103 0.000 1.009 414 V HN 0.330 nan 8.190 nan 0.000 0.431 415 F N 1.837 121.843 119.950 0.095 0.000 2.492 415 F HA 0.544 5.072 4.527 0.001 0.000 0.327 415 F C 0.692 176.464 175.800 -0.046 0.000 1.079 415 F CA -1.141 56.900 58.000 0.069 0.000 0.967 415 F CB 1.249 40.365 39.000 0.194 0.000 1.169 415 F HN 0.339 nan 8.300 nan 0.000 0.472 416 Q N 1.227 121.018 119.800 -0.015 0.000 2.283 416 Q HA 0.239 4.580 4.340 0.002 0.000 0.301 416 Q C 1.176 177.175 176.000 -0.001 0.000 1.063 416 Q CA 1.221 56.898 55.803 -0.209 0.000 0.952 416 Q CB 0.143 28.420 28.738 -0.768 0.000 1.166 416 Q HN 1.029 nan 8.270 nan 0.000 0.381 417 G N 1.653 110.470 108.800 0.029 0.000 2.175 417 G HA2 -0.258 3.702 3.960 0.002 0.000 0.244 417 G HA3 -0.258 3.702 3.960 0.002 0.000 0.244 417 G C -0.016 174.960 174.900 0.126 0.000 0.982 417 G CA 0.298 45.450 45.100 0.087 0.000 0.641 417 G HN 0.902 nan 8.290 nan 0.000 0.527 418 S N -0.951 114.840 115.700 0.152 0.000 2.579 418 S HA 0.880 5.351 4.470 0.002 0.000 0.272 418 S C 0.046 174.717 174.600 0.118 0.000 1.141 418 S CA 0.206 58.502 58.200 0.159 0.000 0.843 418 S CB 1.857 65.195 63.200 0.230 0.000 1.122 418 S HN 1.927 nan 8.310 nan 0.000 0.468 419 A N 1.745 124.624 122.820 0.098 0.000 2.520 419 A HA 0.571 4.892 4.320 0.002 0.000 0.235 419 A C -2.398 175.207 177.584 0.035 0.000 1.065 419 A CA -0.801 51.280 52.037 0.073 0.000 0.764 419 A CB -1.220 17.832 19.000 0.086 0.000 1.002 419 A HN 0.655 nan 8.150 nan 0.000 0.502 420 P HA 0.263 nan 4.420 nan 0.000 0.269 420 P C -0.795 176.346 177.300 -0.266 0.000 1.209 420 P CA 0.270 63.257 63.100 -0.188 0.000 0.776 420 P CB 0.315 31.890 31.700 -0.208 0.000 0.876 421 I N 3.141 123.458 120.570 -0.422 0.000 2.336 421 I HA 0.311 4.482 4.170 0.002 0.000 0.292 421 I C -0.137 175.621 176.117 -0.597 0.000 0.991 421 I CA -0.414 60.669 61.300 -0.362 0.000 1.227 421 I CB 0.542 38.385 38.000 -0.262 0.000 1.366 421 I HN 0.311 nan 8.210 nan 0.000 0.466 422 Y N 3.019 123.188 120.300 -0.219 0.000 2.630 422 Y HA 0.533 5.084 4.550 0.001 0.000 0.337 422 Y C 0.506 176.198 175.900 -0.347 0.000 1.051 422 Y CA -0.671 57.279 58.100 -0.249 0.000 1.121 422 Y CB 1.651 40.002 38.460 -0.182 0.000 1.299 422 Y HN 0.412 nan 8.280 nan 0.000 0.498 423 S N 0.586 116.112 115.700 -0.290 0.000 2.719 423 S HA 0.073 4.544 4.470 0.002 0.000 0.285 423 S C 0.820 175.147 174.600 -0.455 0.000 1.137 423 S CA -0.760 57.119 58.200 -0.536 0.000 1.012 423 S CB 0.292 62.823 63.200 -1.116 0.000 1.134 423 S HN 0.929 nan 8.310 nan 0.000 0.544 424 W N 1.343 122.395 121.300 -0.414 0.000 2.364 424 W HA -0.178 4.483 4.660 0.002 0.000 0.281 424 W C 0.972 177.437 176.519 -0.089 0.000 1.219 424 W CA 1.110 58.347 57.345 -0.180 0.000 1.220 424 W CB -0.988 28.432 29.460 -0.066 0.000 1.127 424 W HN 0.862 nan 8.180 nan 0.000 0.556 425 Y N 0.549 120.456 120.300 -0.655 0.000 2.466 425 Y HA 0.294 4.845 4.550 0.002 0.000 0.272 425 Y C 1.534 177.308 175.900 -0.210 0.000 1.169 425 Y CA -0.366 57.375 58.100 -0.599 0.000 1.285 425 Y CB -0.777 37.080 38.460 -1.004 0.000 1.078 425 Y HN -0.301 nan 8.280 nan 0.000 0.523 426 K N 0.630 120.945 120.400 -0.142 0.000 1.673 426 K HA -0.313 4.008 4.320 0.002 0.000 0.127 426 K C 0.812 177.459 176.600 0.079 0.000 1.035 426 K CA 2.027 58.258 56.287 -0.093 0.000 0.314 426 K CB -1.647 30.717 32.500 -0.226 0.000 0.670 426 K HN 0.466 nan 8.250 nan 0.000 0.842 427 L N 1.250 122.474 121.223 0.000 0.000 2.640 427 L HA 0.159 4.500 4.340 0.002 0.000 0.230 427 L C 2.347 179.238 176.870 0.035 0.000 1.123 427 L CA 0.611 55.481 54.840 0.050 0.000 0.900 427 L CB -0.025 42.022 42.059 -0.020 0.000 1.146 427 L HN 0.615 nan 8.230 nan 0.000 0.484 428 A N 0.134 122.959 122.820 0.009 0.000 1.948 428 A HA -0.212 4.109 4.320 0.002 0.000 0.220 428 A C 1.431 178.759 177.584 -0.427 0.000 1.177 428 A CA 1.707 53.632 52.037 -0.186 0.000 0.636 428 A CB -0.574 18.319 19.000 -0.179 0.000 0.815 428 A HN 0.514 nan 8.150 nan 0.000 0.449 429 Y N -0.708 119.584 120.300 -0.013 0.000 2.681 429 Y HA 0.425 4.976 4.550 0.002 0.000 0.267 429 Y C 1.643 177.620 175.900 0.128 0.000 1.166 429 Y CA -0.203 57.873 58.100 -0.041 0.000 1.209 429 Y CB -0.201 38.086 38.460 -0.288 0.000 1.161 429 Y HN 0.524 nan 8.280 nan 0.000 0.534 430 G N 0.588 109.512 108.800 0.207 0.000 2.581 430 G HA2 -0.286 3.675 3.960 0.002 0.000 0.291 430 G HA3 -0.286 3.675 3.960 0.002 0.000 0.291 430 G C -0.087 174.983 174.900 0.284 0.000 1.277 430 G CA -0.003 45.218 45.100 0.202 0.000 0.959 430 G HN 0.269 nan 8.290 nan 0.000 0.554 431 S N 0.203 116.015 115.700 0.187 0.000 2.578 431 S HA 0.811 5.282 4.470 0.002 0.000 0.283 431 S C -0.358 174.346 174.600 0.175 0.000 1.195 431 S CA 0.444 58.681 58.200 0.062 0.000 1.050 431 S CB 1.005 64.215 63.200 0.018 0.000 1.012 431 S HN 1.366 nan 8.310 nan 0.000 0.511 432 F N -0.252 119.739 119.950 0.069 0.000 2.719 432 F HA 0.650 5.178 4.527 0.002 0.000 0.309 432 F C -3.262 172.587 175.800 0.081 0.000 1.138 432 F CA -2.469 55.569 58.000 0.063 0.000 0.943 432 F CB 0.512 39.538 39.000 0.043 0.000 1.304 432 F HN 0.274 nan 8.300 nan 0.000 0.445 433 P HA 0.438 nan 4.420 nan 0.000 0.275 433 P C -1.026 176.466 177.300 0.321 0.000 1.228 433 P CA 0.061 63.287 63.100 0.210 0.000 0.786 433 P CB 2.240 34.045 31.700 0.176 0.000 0.927 434 I N 1.270 121.982 120.570 0.235 0.000 2.649 434 I HA 0.233 4.404 4.170 0.002 0.000 0.289 434 I C 0.183 176.404 176.117 0.173 0.000 1.222 434 I CA -0.393 61.050 61.300 0.239 0.000 1.046 434 I CB 2.178 40.339 38.000 0.269 0.000 1.272 434 I HN 0.399 nan 8.210 nan 0.000 0.425 435 T N 3.258 117.855 114.554 0.070 0.000 2.770 435 T HA 0.496 4.847 4.350 0.002 0.000 0.281 435 T C 1.186 175.741 174.700 -0.241 0.000 0.981 435 T CA 0.151 62.269 62.100 0.030 0.000 0.955 435 T CB 1.536 70.426 68.868 0.036 0.000 1.060 435 T HN 0.647 nan 8.240 nan 0.000 0.531 436 A N 0.106 122.807 122.820 -0.198 0.000 1.929 436 A HA 0.094 4.415 4.320 0.002 0.000 0.216 436 A C 2.427 179.856 177.584 -0.259 0.000 1.176 436 A CA 1.324 53.095 52.037 -0.443 0.000 0.628 436 A CB -1.249 17.753 19.000 0.002 0.000 0.816 436 A HN 0.692 nan 8.150 nan 0.000 0.444 437 V N 0.150 120.013 119.914 -0.086 0.000 2.332 437 V HA -0.289 3.832 4.120 0.002 0.000 0.248 437 V C 2.387 178.389 176.094 -0.153 0.000 1.055 437 V CA 2.429 64.707 62.300 -0.035 0.000 1.038 437 V CB -0.819 31.014 31.823 0.017 0.000 0.651 437 V HN 0.645 nan 8.190 nan 0.000 0.450 438 E N -0.022 120.015 120.200 -0.273 0.000 2.112 438 E HA -0.048 4.303 4.350 0.002 0.000 0.190 438 E C 2.344 178.583 176.600 -0.601 0.000 0.979 438 E CA 0.974 57.027 56.400 -0.579 0.000 0.814 438 E CB -0.356 29.046 29.700 -0.497 0.000 0.762 438 E HN 0.572 nan 8.360 nan 0.000 0.460 439 A N 1.220 123.811 122.820 -0.382 0.000 1.917 439 A HA -0.223 4.098 4.320 0.002 0.000 0.219 439 A C 2.149 179.673 177.584 -0.100 0.000 1.182 439 A CA 1.318 53.202 52.037 -0.256 0.000 0.633 439 A CB -0.680 17.936 19.000 -0.641 0.000 0.819 439 A HN 0.161 nan 8.150 nan 0.000 0.448 440 L N -1.277 119.883 121.223 -0.105 0.000 2.072 440 L HA -0.155 4.186 4.340 0.002 0.000 0.205 440 L C 2.666 179.555 176.870 0.030 0.000 1.079 440 L CA 1.622 56.482 54.840 0.034 0.000 0.752 440 L CB -0.502 41.643 42.059 0.142 0.000 0.906 440 L HN 0.604 nan 8.230 nan 0.000 0.436 441 E N -0.073 120.087 120.200 -0.066 0.000 2.085 441 E HA -0.250 4.101 4.350 0.002 0.000 0.194 441 E C 1.783 178.513 176.600 0.216 0.000 0.994 441 E CA 1.650 58.040 56.400 -0.018 0.000 0.801 441 E CB 0.041 29.645 29.700 -0.161 0.000 0.743 441 E HN 0.475 nan 8.360 nan 0.000 0.453 442 Y N -0.461 119.949 120.300 0.184 0.000 2.482 442 Y HA 0.288 4.839 4.550 0.002 0.000 0.270 442 Y C 1.070 177.284 175.900 0.524 0.000 1.152 442 Y CA 0.211 58.514 58.100 0.339 0.000 1.292 442 Y CB 0.046 38.654 38.460 0.246 0.000 1.070 442 Y HN -0.122 nan 8.280 nan 0.000 0.528 443 S N 0.647 116.609 115.700 0.437 0.000 3.783 443 S HA -0.203 4.268 4.470 0.002 0.000 0.360 443 S C 0.342 175.142 174.600 0.334 0.000 1.006 443 S CA 0.484 58.890 58.200 0.344 0.000 1.115 443 S CB -1.411 61.983 63.200 0.325 0.000 0.893 443 S HN 0.496 nan 8.310 nan 0.000 0.475 444 S N 0.999 116.883 115.700 0.306 0.000 2.488 444 S HA 0.302 4.773 4.470 0.002 0.000 0.278 444 S C 1.315 175.965 174.600 0.084 0.000 1.259 444 S CA -0.305 58.034 58.200 0.232 0.000 1.061 444 S CB 0.409 63.778 63.200 0.282 0.000 0.910 444 S HN 0.575 nan 8.310 nan 0.000 0.491 445 N N 4.493 123.143 118.700 -0.083 0.000 2.270 445 N HA -0.019 4.722 4.740 0.002 0.000 0.181 445 N C 1.942 177.370 175.510 -0.137 0.000 1.016 445 N CA 1.272 54.201 53.050 -0.201 0.000 0.870 445 N CB -0.718 37.452 38.487 -0.529 0.000 0.979 445 N HN 0.752 nan 8.380 nan 0.000 0.431 446 A N 0.088 122.832 122.820 -0.126 0.000 1.940 446 A HA -0.194 4.127 4.320 0.002 0.000 0.219 446 A C 2.119 179.662 177.584 -0.068 0.000 1.176 446 A CA 1.047 52.992 52.037 -0.154 0.000 0.631 446 A CB -0.909 17.988 19.000 -0.172 0.000 0.814 446 A HN 0.387 nan 8.150 nan 0.000 0.446 447 Y N 0.721 120.976 120.300 -0.074 0.000 2.200 447 Y HA -0.177 4.374 4.550 0.002 0.000 0.290 447 Y C 2.471 178.350 175.900 -0.035 0.000 1.137 447 Y CA 2.169 60.244 58.100 -0.042 0.000 1.163 447 Y CB 0.023 38.479 38.460 -0.007 0.000 0.988 447 Y HN 0.203 nan 8.280 nan 0.000 0.518 448 V N -3.940 116.058 119.914 0.140 0.000 2.788 448 V HA -0.073 4.048 4.120 0.002 0.000 0.251 448 V C 1.922 178.032 176.094 0.026 0.000 1.068 448 V CA 1.224 63.584 62.300 0.100 0.000 1.090 448 V CB -0.998 30.928 31.823 0.171 0.000 0.710 448 V HN 0.176 nan 8.190 nan 0.000 0.467 449 V N 0.525 120.452 119.914 0.023 0.000 2.379 449 V HA -0.228 3.893 4.120 0.002 0.000 0.245 449 V C 2.824 178.925 176.094 0.011 0.000 1.044 449 V CA 2.393 64.708 62.300 0.026 0.000 1.036 449 V CB -0.717 31.120 31.823 0.023 0.000 0.664 449 V HN 0.539 nan 8.190 nan 0.000 0.453 450 Q N -0.410 119.345 119.800 -0.075 0.000 2.084 450 Q HA -0.188 4.153 4.340 0.002 0.000 0.202 450 Q C 2.357 178.323 176.000 -0.057 0.000 0.978 450 Q CA 2.133 57.898 55.803 -0.063 0.000 0.844 450 Q CB -0.397 28.250 28.738 -0.152 0.000 0.898 450 Q HN 0.629 nan 8.270 nan 0.000 0.426 451 T N 0.988 115.458 114.554 -0.140 0.000 2.652 451 T HA -0.233 4.118 4.350 0.002 0.000 0.267 451 T C 1.904 176.590 174.700 -0.024 0.000 1.039 451 T CA 1.431 63.461 62.100 -0.118 0.000 1.153 451 T CB -0.412 68.365 68.868 -0.150 0.000 0.863 451 T HN 0.431 nan 8.240 nan 0.000 0.428 452 A N 1.300 124.102 122.820 -0.031 0.000 1.883 452 A HA -0.054 4.267 4.320 0.002 0.000 0.217 452 A C 2.271 179.992 177.584 0.229 0.000 1.186 452 A CA 1.571 53.603 52.037 -0.009 0.000 0.624 452 A CB -0.997 17.765 19.000 -0.396 0.000 0.822 452 A HN 0.414 nan 8.150 nan 0.000 0.444 453 L N 0.216 121.569 121.223 0.217 0.000 2.081 453 L HA -0.136 4.205 4.340 0.002 0.000 0.212 453 L C 2.321 179.319 176.870 0.215 0.000 1.080 453 L CA 2.330 57.351 54.840 0.301 0.000 0.754 453 L CB -0.817 41.446 42.059 0.341 0.000 0.893 453 L HN 0.326 nan 8.230 nan 0.000 0.433 454 G N -0.766 108.120 108.800 0.144 0.000 2.448 454 G HA2 -0.185 3.776 3.960 0.002 0.000 0.218 454 G HA3 -0.185 3.776 3.960 0.002 0.000 0.218 454 G C 1.571 176.526 174.900 0.092 0.000 1.135 454 G CA 0.847 46.005 45.100 0.096 0.000 0.784 454 G HN 0.497 nan 8.290 nan 0.000 0.543 455 I N 0.073 120.716 120.570 0.122 0.000 2.493 455 I HA -0.022 4.149 4.170 0.002 0.000 0.254 455 I C 2.454 178.620 176.117 0.081 0.000 1.160 455 I CA 0.751 62.116 61.300 0.110 0.000 1.445 455 I CB -0.025 38.067 38.000 0.155 0.000 1.086 455 I HN 0.165 nan 8.210 nan 0.000 0.433 456 M N 0.333 119.997 119.600 0.107 0.000 2.568 456 M HA 0.146 4.627 4.480 0.002 0.000 0.226 456 M C 1.124 177.442 176.300 0.029 0.000 1.148 456 M CA 0.401 55.715 55.300 0.023 0.000 1.007 456 M CB 0.165 32.798 32.600 0.055 0.000 1.651 456 M HN 0.342 nan 8.290 nan 0.000 0.488 457 G N 1.124 109.952 108.800 0.047 0.000 2.143 457 G HA2 -0.246 3.715 3.960 0.002 0.000 0.248 457 G HA3 -0.246 3.715 3.960 0.002 0.000 0.248 457 G C -0.279 174.650 174.900 0.047 0.000 0.991 457 G CA 0.145 45.268 45.100 0.038 0.000 0.689 457 G HN 0.539 nan 8.290 nan 0.000 0.522 458 Q N -0.726 119.118 119.800 0.074 0.000 2.433 458 Q HA 0.694 5.035 4.340 0.002 0.000 0.279 458 Q C -0.739 175.327 176.000 0.110 0.000 1.105 458 Q CA -0.652 55.201 55.803 0.084 0.000 0.815 458 Q CB 2.040 30.831 28.738 0.089 0.000 1.403 458 Q HN 0.166 nan 8.270 nan 0.000 0.435 459 T N 1.060 115.676 114.554 0.103 0.000 2.807 459 T HA 0.244 4.594 4.350 0.002 0.000 0.279 459 T C -1.299 173.491 174.700 0.149 0.000 0.993 459 T CA -0.481 61.686 62.100 0.112 0.000 0.970 459 T CB 0.389 69.296 68.868 0.064 0.000 0.950 459 T HN 0.376 nan 8.240 nan 0.000 0.441 460 Y N 3.866 124.211 120.300 0.074 0.000 2.442 460 Y HA 0.303 4.854 4.550 0.002 0.000 0.330 460 Y C 0.022 175.943 175.900 0.036 0.000 1.129 460 Y CA -0.026 58.125 58.100 0.084 0.000 1.365 460 Y CB 0.425 38.911 38.460 0.044 0.000 1.233 460 Y HN 0.395 nan 8.280 nan 0.000 0.529 461 Q N 7.615 126.959 119.800 -0.760 0.000 2.331 461 Q HA 0.351 4.692 4.340 0.002 0.000 0.272 461 Q C -2.733 172.643 176.000 -1.039 0.000 1.062 461 Q CA -2.428 52.900 55.803 -0.791 0.000 0.806 461 Q CB 1.805 30.358 28.738 -0.309 0.000 1.312 461 Q HN 0.543 nan 8.270 nan 0.000 0.431 462 P HA -0.023 nan 4.420 nan 0.000 0.265 462 P C -0.169 176.990 177.300 -0.235 0.000 1.187 462 P CA 0.475 63.329 63.100 -0.410 0.000 0.766 462 P CB 0.371 31.966 31.700 -0.175 0.000 0.820 463 N N -1.274 117.344 118.700 -0.137 0.000 2.828 463 N HA -0.175 4.565 4.740 0.002 0.000 0.248 463 N C 0.177 175.590 175.510 -0.161 0.000 1.044 463 N CA 0.916 53.886 53.050 -0.133 0.000 0.851 463 N CB -2.170 36.248 38.487 -0.116 0.000 1.136 463 N HN 0.572 nan 8.380 nan 0.000 0.572 464 M N -1.478 118.070 119.600 -0.086 0.000 2.245 464 M HA 0.314 4.795 4.480 0.002 0.000 0.344 464 M C -0.212 176.061 176.300 -0.045 0.000 1.170 464 M CA 0.280 55.572 55.300 -0.014 0.000 1.135 464 M CB 0.127 32.759 32.600 0.053 0.000 1.574 464 M HN -0.066 nan 8.290 nan 0.000 0.452 465 F N 2.344 122.307 119.950 0.023 0.000 2.424 465 F HA 0.401 4.928 4.527 0.001 0.000 0.356 465 F C -0.091 175.659 175.800 -0.083 0.000 1.110 465 F CA -0.465 57.522 58.000 -0.021 0.000 1.161 465 F CB 1.091 40.070 39.000 -0.035 0.000 1.115 465 F HN 0.325 nan 8.300 nan 0.000 0.507 466 V N 3.701 123.578 119.914 -0.062 0.000 2.432 466 V HA 0.412 4.533 4.120 0.002 0.000 0.275 466 V C 0.678 176.615 176.094 -0.261 0.000 1.043 466 V CA -0.902 61.231 62.300 -0.278 0.000 0.925 466 V CB 0.951 32.303 31.823 -0.785 0.000 0.985 466 V HN 0.884 nan 8.190 nan 0.000 0.466 467 G N 2.478 111.178 108.800 -0.166 0.000 2.364 467 G HA2 0.401 4.362 3.960 0.002 0.000 0.267 467 G HA3 0.401 4.362 3.960 0.002 0.000 0.267 467 G C 0.739 175.540 174.900 -0.165 0.000 1.233 467 G CA 0.336 45.356 45.100 -0.133 0.000 0.885 467 G HN 0.893 nan 8.290 nan 0.000 0.490 468 T N -1.002 113.466 114.554 -0.143 0.000 3.176 468 T HA 0.102 4.453 4.350 0.002 0.000 0.263 468 T C 2.100 176.751 174.700 -0.083 0.000 1.021 468 T CA 0.487 62.512 62.100 -0.124 0.000 0.905 468 T CB 0.134 68.934 68.868 -0.113 0.000 1.057 468 T HN 0.522 nan 8.240 nan 0.000 0.558 469 S N 2.350 118.005 115.700 -0.074 0.000 2.400 469 S HA -0.095 4.376 4.470 0.002 0.000 0.232 469 S C 1.529 176.095 174.600 -0.057 0.000 1.025 469 S CA 0.694 58.859 58.200 -0.057 0.000 0.993 469 S CB -0.531 62.640 63.200 -0.048 0.000 0.808 469 S HN 0.470 nan 8.310 nan 0.000 0.478 470 N N 0.915 119.574 118.700 -0.068 0.000 2.276 470 N HA 0.269 5.010 4.740 0.002 0.000 0.212 470 N C 0.945 176.380 175.510 -0.126 0.000 1.127 470 N CA -0.052 52.952 53.050 -0.077 0.000 0.834 470 N CB 0.446 38.894 38.487 -0.065 0.000 1.014 470 N HN 0.316 nan 8.380 nan 0.000 0.491 471 L N 1.222 122.374 121.223 -0.117 0.000 2.027 471 L HA -0.040 4.301 4.340 0.002 0.000 0.206 471 L C 1.810 178.622 176.870 -0.098 0.000 1.074 471 L CA 1.906 56.653 54.840 -0.156 0.000 0.745 471 L CB -0.316 41.719 42.059 -0.041 0.000 0.898 471 L HN 0.091 nan 8.230 nan 0.000 0.433 472 E N -1.018 119.181 120.200 -0.001 0.000 2.077 472 E HA -0.218 4.133 4.350 0.002 0.000 0.193 472 E C 2.237 178.852 176.600 0.025 0.000 0.989 472 E CA 1.303 57.758 56.400 0.092 0.000 0.800 472 E CB -0.230 29.506 29.700 0.060 0.000 0.746 472 E HN 0.592 nan 8.360 nan 0.000 0.452 473 S N 0.715 116.397 115.700 -0.030 0.000 2.359 473 S HA -0.203 4.268 4.470 0.002 0.000 0.224 473 S C 2.146 176.703 174.600 -0.071 0.000 1.035 473 S CA 1.370 59.548 58.200 -0.037 0.000 1.018 473 S CB -0.161 63.015 63.200 -0.040 0.000 0.876 473 S HN 0.315 nan 8.310 nan 0.000 0.448 474 A N 1.363 124.084 122.820 -0.165 0.000 1.858 474 A HA -0.048 4.273 4.320 0.002 0.000 0.216 474 A C 2.260 179.735 177.584 -0.180 0.000 1.190 474 A CA 2.062 53.950 52.037 -0.250 0.000 0.617 474 A CB -0.908 17.748 19.000 -0.572 0.000 0.827 474 A HN 0.627 nan 8.150 nan 0.000 0.443 475 M N 0.618 120.052 119.600 -0.278 0.000 2.149 475 M HA -0.063 4.418 4.480 0.002 0.000 0.261 475 M C 1.881 178.158 176.300 -0.038 0.000 1.064 475 M CA 1.763 57.020 55.300 -0.073 0.000 1.102 475 M CB -0.950 31.481 32.600 -0.283 0.000 1.369 475 M HN 0.328 nan 8.290 nan 0.000 0.408 476 G N -0.509 108.276 108.800 -0.025 0.000 2.408 476 G HA2 -0.196 3.765 3.960 0.002 0.000 0.217 476 G HA3 -0.196 3.765 3.960 0.002 0.000 0.217 476 G C 1.665 176.560 174.900 -0.008 0.000 1.150 476 G CA 0.803 45.903 45.100 0.001 0.000 0.776 476 G HN 0.499 nan 8.290 nan 0.000 0.542 477 K N -0.579 119.813 120.400 -0.014 0.000 2.103 477 K HA 0.082 4.403 4.320 0.002 0.000 0.204 477 K C 2.334 178.894 176.600 -0.067 0.000 1.052 477 K CA 0.638 56.914 56.287 -0.018 0.000 0.945 477 K CB -0.238 32.261 32.500 -0.002 0.000 0.722 477 K HN 0.242 nan 8.250 nan 0.000 0.443 478 L N 1.641 122.811 121.223 -0.088 0.000 1.994 478 L HA -0.176 4.165 4.340 0.002 0.000 0.208 478 L C 2.068 178.646 176.870 -0.487 0.000 1.071 478 L CA 1.713 56.359 54.840 -0.322 0.000 0.745 478 L CB -0.204 41.720 42.059 -0.225 0.000 0.892 478 L HN 0.005 nan 8.230 nan 0.000 0.431 479 R N -1.145 119.248 120.500 -0.180 0.000 2.148 479 R HA -0.117 4.223 4.340 0.002 0.000 0.227 479 R C 2.506 178.837 176.300 0.051 0.000 1.103 479 R CA 1.148 57.260 56.100 0.021 0.000 0.983 479 R CB -0.472 29.887 30.300 0.097 0.000 0.874 479 R HN 0.532 nan 8.270 nan 0.000 0.451 480 S N -0.017 115.680 115.700 -0.004 0.000 2.357 480 S HA -0.123 4.348 4.470 0.002 0.000 0.221 480 S C 1.790 176.413 174.600 0.038 0.000 1.031 480 S CA 1.729 59.943 58.200 0.024 0.000 0.982 480 S CB -0.163 63.044 63.200 0.012 0.000 0.853 480 S HN 0.269 nan 8.310 nan 0.000 0.458 481 T N 2.269 116.820 114.554 -0.004 0.000 2.652 481 T HA -0.075 4.276 4.350 0.002 0.000 0.267 481 T C 1.426 176.276 174.700 0.250 0.000 1.039 481 T CA 1.643 63.787 62.100 0.073 0.000 1.153 481 T CB -0.678 68.205 68.868 0.025 0.000 0.863 481 T HN 0.381 nan 8.240 nan 0.000 0.428 482 F N 1.854 121.870 119.950 0.110 0.000 2.063 482 F HA -0.079 4.449 4.527 0.001 0.000 0.298 482 F C 2.821 178.639 175.800 0.031 0.000 1.109 482 F CA 0.871 58.897 58.000 0.045 0.000 1.212 482 F CB -1.621 37.378 39.000 -0.002 0.000 0.973 482 F HN 0.276 nan 8.300 nan 0.000 0.480 483 G N -0.593 108.339 108.800 0.220 0.000 2.450 483 G HA2 -0.260 3.701 3.960 0.002 0.000 0.220 483 G HA3 -0.260 3.701 3.960 0.002 0.000 0.220 483 G C 1.534 176.486 174.900 0.088 0.000 1.130 483 G CA 0.806 45.975 45.100 0.115 0.000 0.760 483 G HN 0.417 nan 8.290 nan 0.000 0.557 484 E N -0.882 119.367 120.200 0.081 0.000 2.331 484 E HA -0.111 4.240 4.350 0.002 0.000 0.199 484 E C 1.223 177.772 176.600 -0.086 0.000 1.008 484 E CA 0.672 57.052 56.400 -0.034 0.000 0.843 484 E CB -0.113 29.517 29.700 -0.117 0.000 0.761 484 E HN 0.694 nan 8.360 nan 0.000 0.507 485 Y N -1.075 119.279 120.300 0.090 0.000 2.467 485 Y HA 0.241 4.792 4.550 0.002 0.000 0.250 485 Y C 1.460 177.404 175.900 0.073 0.000 1.155 485 Y CA 0.297 58.477 58.100 0.133 0.000 1.249 485 Y CB 1.489 40.096 38.460 0.245 0.000 1.146 485 Y HN 0.068 nan 8.280 nan 0.000 0.524 486 G N 0.608 109.488 108.800 0.133 0.000 2.157 486 G HA2 -0.273 3.688 3.960 0.002 0.000 0.248 486 G HA3 -0.273 3.688 3.960 0.002 0.000 0.248 486 G C -0.060 174.788 174.900 -0.086 0.000 0.979 486 G CA -0.142 44.986 45.100 0.046 0.000 0.650 486 G HN 0.222 nan 8.290 nan 0.000 0.529 487 L N 0.571 121.665 121.223 -0.214 0.000 2.312 487 L HA 0.511 4.852 4.340 0.002 0.000 0.287 487 L C 1.591 178.193 176.870 -0.447 0.000 1.091 487 L CA 0.724 55.114 54.840 -0.750 0.000 0.846 487 L CB 0.510 41.910 42.059 -1.097 0.000 1.219 487 L HN 0.896 nan 8.230 nan 0.000 0.439 488 G N 1.859 110.552 108.800 -0.178 0.000 2.176 488 G HA2 -0.244 3.717 3.960 0.002 0.000 0.232 488 G HA3 -0.244 3.717 3.960 0.002 0.000 0.232 488 G C 0.106 175.057 174.900 0.085 0.000 0.986 488 G CA 0.125 45.313 45.100 0.146 0.000 0.643 488 G HN 0.670 nan 8.290 nan 0.000 0.522 489 S N -0.675 115.048 115.700 0.039 0.000 2.634 489 S HA 0.880 5.351 4.470 0.002 0.000 0.296 489 S C 0.328 174.950 174.600 0.037 0.000 1.104 489 S CA 0.186 58.412 58.200 0.043 0.000 0.920 489 S CB 2.024 65.249 63.200 0.042 0.000 1.111 489 S HN 1.934 nan 8.310 nan 0.000 0.493 490 A N 1.390 124.232 122.820 0.037 0.000 2.587 490 A HA 0.368 4.689 4.320 0.002 0.000 0.235 490 A C 1.500 179.107 177.584 0.038 0.000 1.044 490 A CA 0.385 52.443 52.037 0.036 0.000 0.754 490 A CB -0.584 18.433 19.000 0.030 0.000 0.968 490 A HN 1.374 nan 8.150 nan 0.000 0.509 491 T N -0.086 114.495 114.554 0.045 0.000 3.014 491 T HA 0.359 4.710 4.350 0.002 0.000 0.263 491 T C 1.477 176.209 174.700 0.054 0.000 1.078 491 T CA 1.120 63.251 62.100 0.052 0.000 1.135 491 T CB -0.146 68.758 68.868 0.059 0.000 0.895 491 T HN 2.466 nan 8.240 nan 0.000 0.480 492 G N 1.230 110.060 108.800 0.050 0.000 2.157 492 G HA2 -0.213 3.748 3.960 0.002 0.000 0.239 492 G HA3 -0.213 3.748 3.960 0.002 0.000 0.239 492 G C 0.070 175.012 174.900 0.070 0.000 0.982 492 G CA 0.036 45.167 45.100 0.052 0.000 0.650 492 G HN 0.772 nan 8.290 nan 0.000 0.527 493 I N 1.900 122.516 120.570 0.077 0.000 2.813 493 I HA 0.186 4.357 4.170 0.002 0.000 0.287 493 I C 0.634 176.812 176.117 0.102 0.000 1.196 493 I CA 0.173 61.532 61.300 0.099 0.000 1.421 493 I CB 0.505 38.561 38.000 0.094 0.000 1.365 493 I HN 0.283 nan 8.210 nan 0.000 0.591 494 D N 8.194 128.679 120.400 0.143 0.000 2.934 494 D HA 0.173 4.814 4.640 0.002 0.000 0.237 494 D C -0.538 175.849 176.300 0.146 0.000 1.158 494 D CA 0.164 54.248 54.000 0.139 0.000 0.971 494 D CB -0.338 40.622 40.800 0.267 0.000 1.123 494 D HN 0.272 nan 8.370 nan 0.000 0.467 495 L N 0.008 121.296 121.223 0.109 0.000 2.371 495 L HA 0.313 4.654 4.340 0.002 0.000 0.262 495 L C -1.617 175.290 176.870 0.062 0.000 1.006 495 L CA -2.381 52.537 54.840 0.131 0.000 0.818 495 L CB 2.785 44.963 42.059 0.198 0.000 1.354 495 L HN -0.273 nan 8.230 nan 0.000 0.415 496 P HA -0.112 nan 4.420 nan 0.000 0.215 496 P C -0.803 176.488 177.300 -0.014 0.000 1.153 496 P CA 1.241 64.325 63.100 -0.027 0.000 0.853 496 P CB -0.137 31.515 31.700 -0.080 0.000 0.788 497 D N -1.474 118.931 120.400 0.007 0.000 2.855 497 D HA 0.297 4.938 4.640 0.002 0.000 0.241 497 D C -0.790 175.543 176.300 0.054 0.000 1.277 497 D CA -0.860 53.150 54.000 0.016 0.000 0.918 497 D CB 1.073 41.867 40.800 -0.009 0.000 1.462 497 D HN 0.169 nan 8.370 nan 0.000 0.559 498 E N 0.619 120.847 120.200 0.048 0.000 2.227 498 E HA 0.535 4.885 4.350 0.002 0.000 0.268 498 E C -0.598 176.024 176.600 0.035 0.000 0.907 498 E CA -1.161 55.272 56.400 0.055 0.000 0.786 498 E CB 1.644 31.378 29.700 0.058 0.000 1.191 498 E HN 0.247 nan 8.360 nan 0.000 0.411 499 S N 0.768 116.485 115.700 0.028 0.000 2.549 499 S HA 0.011 4.482 4.470 0.002 0.000 0.286 499 S C 0.810 175.426 174.600 0.027 0.000 1.314 499 S CA 0.234 58.442 58.200 0.012 0.000 1.062 499 S CB 0.342 63.534 63.200 -0.013 0.000 0.865 499 S HN 0.649 nan 8.310 nan 0.000 0.498 500 T N 1.512 116.082 114.554 0.027 0.000 3.145 500 T HA 0.552 4.903 4.350 0.002 0.000 0.255 500 T C 0.878 175.620 174.700 0.070 0.000 1.039 500 T CA 0.271 62.399 62.100 0.047 0.000 0.928 500 T CB -0.628 68.265 68.868 0.043 0.000 1.029 500 T HN 1.458 nan 8.240 nan 0.000 0.554 501 G N 0.861 109.688 108.800 0.045 0.000 2.541 501 G HA2 0.055 4.016 3.960 0.002 0.000 0.686 501 G HA3 0.055 4.016 3.960 0.002 0.000 0.686 501 G C -1.399 173.476 174.900 -0.042 0.000 1.286 501 G CA -0.688 44.435 45.100 0.039 0.000 0.894 501 G HN 0.592 nan 8.290 nan 0.000 0.575 502 L N 0.552 121.703 121.223 -0.121 0.000 2.276 502 L HA 0.697 5.037 4.340 0.002 0.000 0.286 502 L C -0.335 176.414 176.870 -0.202 0.000 1.024 502 L CA -0.954 53.791 54.840 -0.157 0.000 0.826 502 L CB 1.181 43.118 42.059 -0.204 0.000 1.211 502 L HN 0.541 nan 8.230 nan 0.000 0.422 503 V N 5.716 125.555 119.914 -0.124 0.000 2.380 503 V HA 0.319 4.440 4.120 0.002 0.000 0.272 503 V C -2.177 173.889 176.094 -0.047 0.000 1.011 503 V CA -1.326 60.916 62.300 -0.096 0.000 0.826 503 V CB 1.140 32.973 31.823 0.016 0.000 1.040 503 V HN 0.673 nan 8.190 nan 0.000 0.441 504 P HA 0.281 nan 4.420 nan 0.000 0.271 504 P C 0.603 178.054 177.300 0.252 0.000 1.226 504 P CA -0.133 63.002 63.100 0.060 0.000 0.765 504 P CB 0.852 32.580 31.700 0.047 0.000 0.835 505 K N 1.138 121.663 120.400 0.208 0.000 2.366 505 K HA -0.048 4.273 4.320 0.002 0.000 0.198 505 K C 0.754 177.528 176.600 0.290 0.000 1.044 505 K CA 0.710 57.150 56.287 0.255 0.000 0.973 505 K CB 0.315 32.897 32.500 0.138 0.000 0.767 505 K HN 0.539 nan 8.250 nan 0.000 0.475 506 E N 0.360 120.701 120.200 0.235 0.000 2.166 506 E HA 0.202 4.553 4.350 0.002 0.000 0.275 506 E C -1.425 175.318 176.600 0.238 0.000 0.941 506 E CA -0.791 55.659 56.400 0.084 0.000 0.784 506 E CB 0.783 30.517 29.700 0.056 0.000 1.115 506 E HN 0.016 nan 8.360 nan 0.000 0.399 507 Y N 1.212 121.570 120.300 0.098 0.000 2.662 507 Y HA 0.395 4.946 4.550 0.002 0.000 0.334 507 Y C -1.228 174.664 175.900 -0.015 0.000 1.185 507 Y CA -1.427 56.705 58.100 0.052 0.000 1.074 507 Y CB 0.273 38.765 38.460 0.053 0.000 1.330 507 Y HN 0.555 nan 8.280 nan 0.000 0.458 508 N N 0.335 119.081 118.700 0.077 0.000 2.906 508 N HA 0.326 5.067 4.740 0.002 0.000 0.327 508 N C 0.036 175.635 175.510 0.148 0.000 1.344 508 N CA -0.823 52.269 53.050 0.071 0.000 0.823 508 N CB 0.327 38.842 38.487 0.046 0.000 1.351 508 N HN 0.728 nan 8.380 nan 0.000 0.604 509 F N 0.103 120.062 119.950 0.015 0.000 2.134 509 F HA 0.066 4.594 4.527 0.002 0.000 0.299 509 F C 2.143 177.959 175.800 0.026 0.000 1.097 509 F CA 1.947 59.966 58.000 0.031 0.000 1.264 509 F CB -0.668 38.312 39.000 -0.033 0.000 1.001 509 F HN 0.593 nan 8.300 nan 0.000 0.479 510 A N 0.578 123.341 122.820 -0.095 0.000 1.933 510 A HA -0.209 4.112 4.320 0.002 0.000 0.218 510 A C 2.058 179.454 177.584 -0.315 0.000 1.175 510 A CA 1.849 53.764 52.037 -0.204 0.000 0.628 510 A CB -0.896 18.093 19.000 -0.019 0.000 0.814 510 A HN 0.524 nan 8.150 nan 0.000 0.444 511 N N -0.689 117.789 118.700 -0.371 0.000 2.084 511 N HA -0.152 4.589 4.740 0.002 0.000 0.190 511 N C 1.459 176.591 175.510 -0.630 0.000 1.030 511 N CA 1.593 54.174 53.050 -0.783 0.000 0.849 511 N CB -0.722 36.988 38.487 -1.295 0.000 1.012 511 N HN 0.549 nan 8.380 nan 0.000 0.423 512 F N 2.299 121.948 119.950 -0.503 0.000 2.065 512 F HA -0.168 4.360 4.527 0.001 0.000 0.298 512 F C 2.039 177.622 175.800 -0.363 0.000 1.112 512 F CA 1.160 58.937 58.000 -0.373 0.000 1.212 512 F CB -0.367 38.474 39.000 -0.265 0.000 0.975 512 F HN -0.136 nan 8.300 nan 0.000 0.476 513 I N 1.162 121.330 120.570 -0.670 0.000 2.127 513 I HA -0.312 3.859 4.170 0.002 0.000 0.241 513 I C 2.697 178.485 176.117 -0.549 0.000 1.075 513 I CA 2.244 63.170 61.300 -0.623 0.000 1.334 513 I CB -2.067 35.646 38.000 -0.478 0.000 1.040 513 I HN 0.390 nan 8.210 nan 0.000 0.405 514 T N -1.102 113.102 114.554 -0.583 0.000 2.833 514 T HA -0.172 4.179 4.350 0.002 0.000 0.269 514 T C 1.751 175.978 174.700 -0.787 0.000 1.054 514 T CA 1.468 62.999 62.100 -0.949 0.000 1.135 514 T CB -0.621 67.939 68.868 -0.512 0.000 0.869 514 T HN 0.140 nan 8.240 nan 0.000 0.466 515 N N 2.202 120.664 118.700 -0.398 0.000 2.205 515 N HA 0.031 4.772 4.740 0.002 0.000 0.186 515 N C 2.003 177.467 175.510 -0.077 0.000 1.015 515 N CA 1.336 54.319 53.050 -0.110 0.000 0.862 515 N CB -0.733 37.802 38.487 0.079 0.000 0.986 515 N HN 0.599 nan 8.380 nan 0.000 0.429 516 A N -0.295 122.376 122.820 -0.247 0.000 2.070 516 A HA -0.063 4.258 4.320 0.002 0.000 0.220 516 A C 1.146 178.793 177.584 0.105 0.000 1.159 516 A CA 1.113 53.112 52.037 -0.063 0.000 0.656 516 A CB -0.770 18.108 19.000 -0.204 0.000 0.800 516 A HN 0.498 nan 8.150 nan 0.000 0.453 517 F N -3.573 116.387 119.950 0.017 0.000 2.764 517 F HA 0.563 5.090 4.527 0.001 0.000 0.310 517 F C 0.895 176.707 175.800 0.020 0.000 1.124 517 F CA -0.335 57.682 58.000 0.028 0.000 1.252 517 F CB -0.279 38.731 39.000 0.017 0.000 1.010 517 F HN 0.222 nan 8.300 nan 0.000 0.518 518 G N 1.234 109.975 108.800 -0.098 0.000 2.182 518 G HA2 -0.231 3.730 3.960 0.002 0.000 0.248 518 G HA3 -0.231 3.730 3.960 0.002 0.000 0.248 518 G C 0.146 174.984 174.900 -0.103 0.000 1.042 518 G CA 0.098 45.145 45.100 -0.089 0.000 0.775 518 G HN 0.425 nan 8.290 nan 0.000 0.501 519 Q N -1.454 118.221 119.800 -0.208 0.000 2.233 519 Q HA 0.505 4.846 4.340 0.002 0.000 0.340 519 Q C 0.370 176.355 176.000 -0.025 0.000 0.899 519 Q CA -0.312 55.422 55.803 -0.116 0.000 1.139 519 Q CB 0.280 28.962 28.738 -0.095 0.000 1.273 519 Q HN 0.604 nan 8.270 nan 0.000 0.431 520 F N -0.020 119.789 119.950 -0.235 0.000 1.855 520 F HA 0.245 4.773 4.527 0.002 0.000 0.228 520 F C -0.526 175.144 175.800 -0.216 0.000 1.236 520 F CA -0.131 57.757 58.000 -0.186 0.000 1.308 520 F CB 0.316 39.216 39.000 -0.167 0.000 1.877 520 F HN -0.134 nan 8.300 nan 0.000 0.272 521 D N 2.393 122.562 120.400 -0.385 0.000 2.414 521 D HA 0.123 4.764 4.640 0.002 0.000 0.242 521 D C -0.601 175.219 176.300 -0.800 0.000 1.129 521 D CA 0.321 53.965 54.000 -0.593 0.000 0.885 521 D CB 0.222 40.789 40.800 -0.389 0.000 1.198 521 D HN 0.284 nan 8.370 nan 0.000 0.437 522 N N 1.330 119.624 118.700 -0.678 0.000 2.456 522 N HA 0.276 5.017 4.740 0.002 0.000 0.288 522 N C -0.909 174.295 175.510 -0.509 0.000 1.059 522 N CA -0.450 52.264 53.050 -0.561 0.000 0.946 522 N CB 1.071 39.362 38.487 -0.326 0.000 1.150 522 N HN 0.255 nan 8.380 nan 0.000 0.479 523 Y N -0.384 119.883 120.300 -0.056 0.000 2.570 523 Y HA 0.273 4.824 4.550 0.002 0.000 0.345 523 Y C 0.965 176.891 175.900 0.042 0.000 1.014 523 Y CA -1.136 56.947 58.100 -0.027 0.000 1.063 523 Y CB 1.012 39.450 38.460 -0.038 0.000 1.272 523 Y HN 0.409 nan 8.280 nan 0.000 0.477 524 T N -1.814 112.868 114.554 0.214 0.000 2.849 524 T HA 0.275 4.626 4.350 0.002 0.000 0.284 524 T C -2.194 172.625 174.700 0.198 0.000 1.004 524 T CA -1.877 60.329 62.100 0.176 0.000 1.021 524 T CB 1.526 70.451 68.868 0.095 0.000 1.013 524 T HN 0.296 nan 8.240 nan 0.000 0.527 525 P HA -0.023 nan 4.420 nan 0.000 0.218 525 P C 1.624 178.988 177.300 0.107 0.000 1.149 525 P CA 0.590 63.764 63.100 0.123 0.000 0.817 525 P CB -0.083 31.671 31.700 0.090 0.000 0.785 526 M N -0.283 119.374 119.600 0.096 0.000 2.117 526 M HA -0.188 4.293 4.480 0.002 0.000 0.262 526 M C 1.999 178.350 176.300 0.085 0.000 1.065 526 M CA 1.886 57.235 55.300 0.082 0.000 1.114 526 M CB -1.144 31.499 32.600 0.073 0.000 1.361 526 M HN -0.144 nan 8.290 nan 0.000 0.408 527 Q N -0.398 119.453 119.800 0.084 0.000 2.096 527 Q HA -0.170 4.171 4.340 0.002 0.000 0.204 527 Q C 2.086 178.138 176.000 0.085 0.000 0.982 527 Q CA 1.852 57.690 55.803 0.058 0.000 0.850 527 Q CB -0.392 28.353 28.738 0.011 0.000 0.901 527 Q HN 0.519 nan 8.270 nan 0.000 0.422 528 L N -0.114 121.181 121.223 0.120 0.000 2.141 528 L HA -0.122 4.218 4.340 0.002 0.000 0.209 528 L C 2.444 179.433 176.870 0.198 0.000 1.094 528 L CA 0.752 55.708 54.840 0.193 0.000 0.763 528 L CB -0.478 41.694 42.059 0.189 0.000 0.908 528 L HN 0.194 nan 8.230 nan 0.000 0.437 529 A N -0.417 122.481 122.820 0.131 0.000 1.898 529 A HA -0.270 4.051 4.320 0.002 0.000 0.216 529 A C 2.278 179.920 177.584 0.098 0.000 1.181 529 A CA 1.728 53.823 52.037 0.098 0.000 0.620 529 A CB -0.517 18.524 19.000 0.068 0.000 0.819 529 A HN 0.471 nan 8.150 nan 0.000 0.442 530 Q N -1.809 118.060 119.800 0.114 0.000 2.167 530 Q HA -0.221 4.120 4.340 0.002 0.000 0.202 530 Q C 1.884 177.993 176.000 0.182 0.000 0.970 530 Q CA 1.860 57.733 55.803 0.116 0.000 0.855 530 Q CB -0.333 28.469 28.738 0.108 0.000 0.911 530 Q HN 0.803 nan 8.270 nan 0.000 0.438 531 Y N 0.001 120.355 120.300 0.091 0.000 2.114 531 Y HA -0.200 4.351 4.550 0.002 0.000 0.284 531 Y C 1.979 177.971 175.900 0.154 0.000 1.143 531 Y CA 1.634 59.818 58.100 0.140 0.000 1.135 531 Y CB -0.843 37.632 38.460 0.026 0.000 0.980 531 Y HN 0.007 nan 8.280 nan 0.000 0.499 532 V N 1.188 120.959 119.914 -0.239 0.000 2.515 532 V HA -0.137 3.984 4.120 0.002 0.000 0.250 532 V C 2.376 178.426 176.094 -0.073 0.000 1.058 532 V CA 1.913 64.066 62.300 -0.245 0.000 1.064 532 V CB -1.185 30.613 31.823 -0.042 0.000 0.675 532 V HN 0.624 nan 8.190 nan 0.000 0.461 533 A N -0.732 122.080 122.820 -0.013 0.000 1.969 533 A HA -0.164 4.157 4.320 0.002 0.000 0.218 533 A C 2.311 179.876 177.584 -0.033 0.000 1.169 533 A CA 2.349 54.370 52.037 -0.026 0.000 0.635 533 A CB -0.977 18.024 19.000 0.002 0.000 0.810 533 A HN 0.548 nan 8.150 nan 0.000 0.445 534 T N 0.473 115.052 114.554 0.042 0.000 2.708 534 T HA -0.101 4.250 4.350 0.002 0.000 0.266 534 T C 1.790 176.526 174.700 0.061 0.000 1.037 534 T CA 1.520 63.666 62.100 0.076 0.000 1.146 534 T CB -0.424 68.558 68.868 0.191 0.000 0.865 534 T HN 0.441 nan 8.240 nan 0.000 0.435 535 I N 1.483 122.095 120.570 0.070 0.000 2.163 535 I HA -0.224 3.947 4.170 0.002 0.000 0.243 535 I C 2.878 178.922 176.117 -0.121 0.000 1.085 535 I CA 1.307 62.608 61.300 0.003 0.000 1.347 535 I CB -0.474 37.425 38.000 -0.169 0.000 1.044 535 I HN 0.195 nan 8.210 nan 0.000 0.408 536 A N 0.150 122.735 122.820 -0.392 0.000 2.067 536 A HA -0.189 4.132 4.320 0.002 0.000 0.219 536 A C 1.774 179.176 177.584 -0.304 0.000 1.158 536 A CA 1.745 53.357 52.037 -0.709 0.000 0.661 536 A CB -0.599 17.987 19.000 -0.690 0.000 0.801 536 A HN 0.467 nan 8.150 nan 0.000 0.452 537 N N 0.302 118.918 118.700 -0.139 0.000 2.321 537 N HA 0.042 4.783 4.740 0.002 0.000 0.242 537 N C -0.339 175.150 175.510 -0.034 0.000 1.141 537 N CA -0.045 52.964 53.050 -0.069 0.000 0.864 537 N CB -0.400 38.060 38.487 -0.046 0.000 1.100 537 N HN 0.277 nan 8.380 nan 0.000 0.510 538 N N 0.114 118.809 118.700 -0.008 0.000 2.735 538 N HA -0.187 4.554 4.740 0.002 0.000 0.248 538 N C 0.708 176.189 175.510 -0.049 0.000 1.083 538 N CA 1.292 54.327 53.050 -0.025 0.000 0.703 538 N CB -1.433 37.039 38.487 -0.025 0.000 1.005 538 N HN 0.588 nan 8.380 nan 0.000 0.550 539 G N -2.638 106.142 108.800 -0.034 0.000 2.194 539 G HA2 -0.297 3.664 3.960 0.002 0.000 0.236 539 G HA3 -0.297 3.664 3.960 0.002 0.000 0.236 539 G C -0.051 174.799 174.900 -0.083 0.000 0.987 539 G CA 0.137 45.196 45.100 -0.069 0.000 0.635 539 G HN 0.454 nan 8.290 nan 0.000 0.520 540 V N 2.316 122.199 119.914 -0.051 0.000 2.353 540 V HA 0.444 4.565 4.120 0.002 0.000 0.264 540 V C 0.969 177.047 176.094 -0.026 0.000 1.049 540 V CA -0.402 61.874 62.300 -0.041 0.000 0.896 540 V CB 1.066 32.872 31.823 -0.028 0.000 1.025 540 V HN 0.466 nan 8.190 nan 0.000 0.475 541 R N 5.534 126.017 120.500 -0.029 0.000 2.308 541 R HA 0.578 4.919 4.340 0.002 0.000 0.305 541 R C -1.148 175.160 176.300 0.015 0.000 1.053 541 R CA -0.422 55.676 56.100 -0.002 0.000 0.957 541 R CB 0.610 30.902 30.300 -0.013 0.000 1.022 541 R HN 0.657 nan 8.270 nan 0.000 0.461 542 L N 3.536 124.779 121.223 0.033 0.000 2.346 542 L HA 0.516 4.857 4.340 0.002 0.000 0.276 542 L C 0.012 176.923 176.870 0.068 0.000 1.006 542 L CA -1.215 53.654 54.840 0.048 0.000 0.817 542 L CB 1.949 44.039 42.059 0.053 0.000 1.272 542 L HN 0.764 nan 8.230 nan 0.000 0.421 543 A N 4.326 127.194 122.820 0.081 0.000 2.488 543 A HA 0.475 4.796 4.320 0.002 0.000 0.249 543 A C -2.337 175.333 177.584 0.143 0.000 1.083 543 A CA -0.882 51.214 52.037 0.098 0.000 0.768 543 A CB -0.514 18.541 19.000 0.092 0.000 1.017 543 A HN 0.364 nan 8.150 nan 0.000 0.496 544 P HA 0.391 nan 4.420 nan 0.000 0.280 544 P C -1.017 176.375 177.300 0.153 0.000 1.244 544 P CA 0.270 63.420 63.100 0.083 0.000 0.784 544 P CB 0.603 32.335 31.700 0.053 0.000 0.913 545 H N -0.292 118.818 119.070 0.068 0.000 2.759 545 H HA 0.514 5.071 4.556 0.002 0.000 0.354 545 H C -0.008 175.369 175.328 0.083 0.000 1.074 545 H CA -0.840 55.264 56.048 0.092 0.000 1.226 545 H CB 0.624 30.445 29.762 0.100 0.000 1.648 545 H HN 0.107 nan 8.280 nan 0.000 0.529 546 I N 2.130 122.790 120.570 0.149 0.000 2.852 546 I HA 0.031 4.202 4.170 0.002 0.000 0.264 546 I C 0.060 176.231 176.117 0.090 0.000 1.179 546 I CA 0.163 61.511 61.300 0.080 0.000 1.480 546 I CB 0.508 38.569 38.000 0.102 0.000 1.111 546 I HN 0.358 nan 8.210 nan 0.000 0.441 547 V N 2.257 122.257 119.914 0.143 0.000 2.498 547 V HA 0.049 4.170 4.120 0.002 0.000 0.279 547 V C 1.251 177.470 176.094 0.209 0.000 1.048 547 V CA 0.021 62.347 62.300 0.043 0.000 0.967 547 V CB 1.649 33.299 31.823 -0.288 0.000 0.988 547 V HN 0.256 nan 8.190 nan 0.000 0.473 548 E N 2.909 123.203 120.200 0.158 0.000 2.201 548 E HA 0.201 4.552 4.350 0.002 0.000 0.193 548 E C 0.562 177.276 176.600 0.191 0.000 0.957 548 E CA 0.987 57.516 56.400 0.216 0.000 0.858 548 E CB 1.202 31.008 29.700 0.176 0.000 0.816 548 E HN 0.842 nan 8.360 nan 0.000 0.475 549 G N 0.309 109.243 108.800 0.224 0.000 2.601 549 G HA2 0.490 4.451 3.960 0.002 0.000 0.291 549 G HA3 0.490 4.451 3.960 0.002 0.000 0.291 549 G C -1.582 173.454 174.900 0.227 0.000 1.456 549 G CA -0.778 44.437 45.100 0.192 0.000 0.804 549 G HN 0.022 nan 8.290 nan 0.000 0.499 550 I N 0.486 121.080 120.570 0.039 0.000 2.359 550 I HA 0.506 4.677 4.170 0.002 0.000 0.294 550 I C -0.807 175.289 176.117 -0.036 0.000 0.987 550 I CA -0.555 60.801 61.300 0.093 0.000 1.225 550 I CB 1.329 39.354 38.000 0.042 0.000 1.366 550 I HN 0.445 nan 8.210 nan 0.000 0.466 551 Y N 2.995 123.293 120.300 -0.004 0.000 2.524 551 Y HA 0.394 4.944 4.550 0.002 0.000 0.344 551 Y C 0.085 175.979 175.900 -0.010 0.000 1.012 551 Y CA -1.017 57.072 58.100 -0.018 0.000 1.068 551 Y CB 1.541 39.971 38.460 -0.049 0.000 1.249 551 Y HN 0.444 nan 8.280 nan 0.000 0.468 552 D N 0.631 121.095 120.400 0.107 0.000 2.383 552 D HA 0.136 4.777 4.640 0.002 0.000 0.248 552 D C -0.921 175.421 176.300 0.070 0.000 1.170 552 D CA -0.114 53.924 54.000 0.064 0.000 0.977 552 D CB 0.654 41.471 40.800 0.028 0.000 1.120 552 D HN 0.580 nan 8.370 nan 0.000 0.481 553 N N 0.838 119.567 118.700 0.048 0.000 2.518 553 N HA 0.192 4.933 4.740 0.002 0.000 0.283 553 N C -0.112 175.413 175.510 0.026 0.000 1.119 553 N CA -0.710 52.363 53.050 0.038 0.000 0.983 553 N CB 0.672 39.182 38.487 0.038 0.000 1.139 553 N HN 0.398 nan 8.380 nan 0.000 0.465 554 N N 0.640 119.350 118.700 0.017 0.000 2.418 554 N HA 0.155 4.895 4.740 0.002 0.000 0.283 554 N C 0.185 175.707 175.510 0.018 0.000 1.267 554 N CA -0.299 52.759 53.050 0.013 0.000 0.975 554 N CB 0.240 38.728 38.487 0.001 0.000 1.167 554 N HN 0.326 nan 8.380 nan 0.000 0.581 555 D N -0.324 120.086 120.400 0.016 0.000 2.160 555 D HA -0.244 4.397 4.640 0.002 0.000 0.189 555 D C 1.178 177.493 176.300 0.026 0.000 1.003 555 D CA 1.754 55.766 54.000 0.019 0.000 0.846 555 D CB -0.071 40.739 40.800 0.016 0.000 0.949 555 D HN 0.698 nan 8.370 nan 0.000 0.446 556 K N -0.524 119.891 120.400 0.026 0.000 2.432 556 K HA -0.008 4.313 4.320 0.002 0.000 0.196 556 K C 1.002 177.628 176.600 0.044 0.000 1.038 556 K CA 0.950 57.257 56.287 0.034 0.000 0.986 556 K CB 0.325 32.844 32.500 0.031 0.000 0.782 556 K HN 0.258 nan 8.250 nan 0.000 0.485 557 G N -0.393 108.432 108.800 0.042 0.000 2.179 557 G HA2 -0.190 3.771 3.960 0.002 0.000 0.220 557 G HA3 -0.190 3.771 3.960 0.002 0.000 0.220 557 G C 0.264 175.206 174.900 0.070 0.000 0.990 557 G CA -0.101 45.031 45.100 0.052 0.000 0.646 557 G HN 0.586 nan 8.290 nan 0.000 0.517 558 G N -0.802 108.033 108.800 0.060 0.000 2.532 558 G HA2 0.579 4.540 3.960 0.002 0.000 0.291 558 G HA3 0.579 4.540 3.960 0.002 0.000 0.291 558 G C 0.377 175.253 174.900 -0.041 0.000 1.349 558 G CA -0.672 44.472 45.100 0.073 0.000 1.038 558 G HN 0.734 nan 8.290 nan 0.000 0.518 559 L N 1.383 122.429 121.223 -0.294 0.000 2.660 559 L HA 0.161 4.502 4.340 0.002 0.000 0.272 559 L C 1.264 178.011 176.870 -0.205 0.000 1.194 559 L CA 0.461 54.992 54.840 -0.516 0.000 0.945 559 L CB -0.085 41.381 42.059 -0.988 0.000 1.212 559 L HN 0.653 nan 8.230 nan 0.000 0.490 560 G N 4.512 113.273 108.800 -0.065 0.000 3.365 560 G HA2 0.177 4.138 3.960 0.002 0.000 0.185 560 G HA3 0.177 4.138 3.960 0.002 0.000 0.185 560 G C -0.575 174.381 174.900 0.094 0.000 1.565 560 G CA -0.259 44.848 45.100 0.011 0.000 0.984 560 G HN 0.611 nan 8.290 nan 0.000 0.604 561 E N -0.935 119.324 120.200 0.097 0.000 2.222 561 E HA 0.430 4.780 4.350 0.002 0.000 0.267 561 E C -0.827 175.767 176.600 -0.010 0.000 0.963 561 E CA -0.905 55.550 56.400 0.091 0.000 0.837 561 E CB 1.822 31.536 29.700 0.023 0.000 1.183 561 E HN 0.198 nan 8.360 nan 0.000 0.403 562 L N 4.644 125.759 121.223 -0.181 0.000 2.660 562 L HA -0.083 4.258 4.340 0.002 0.000 0.272 562 L C 0.391 177.062 176.870 -0.332 0.000 1.194 562 L CA 0.531 55.025 54.840 -0.577 0.000 0.945 562 L CB 0.196 41.990 42.059 -0.441 0.000 1.212 562 L HN 0.668 nan 8.230 nan 0.000 0.490 563 I N 2.798 123.164 120.570 -0.339 0.000 2.429 563 I HA 0.079 4.250 4.170 0.002 0.000 0.247 563 I C 0.698 176.720 176.117 -0.158 0.000 1.099 563 I CA 0.900 62.097 61.300 -0.171 0.000 1.422 563 I CB -0.827 37.114 38.000 -0.098 0.000 1.112 563 I HN 0.799 nan 8.210 nan 0.000 0.430 564 Q N 0.388 120.071 119.800 -0.195 0.000 2.364 564 Q HA 0.547 4.888 4.340 0.002 0.000 0.251 564 Q C -1.431 174.494 176.000 -0.125 0.000 0.927 564 Q CA -0.372 55.356 55.803 -0.125 0.000 0.924 564 Q CB 2.143 30.843 28.738 -0.064 0.000 1.419 564 Q HN 0.224 nan 8.270 nan 0.000 0.427 565 A N 4.106 126.865 122.820 -0.101 0.000 2.351 565 A HA 0.484 4.805 4.320 0.002 0.000 0.257 565 A C -0.145 177.416 177.584 -0.039 0.000 1.087 565 A CA -0.352 51.652 52.037 -0.056 0.000 0.798 565 A CB 0.291 19.272 19.000 -0.031 0.000 1.033 565 A HN 0.779 nan 8.150 nan 0.000 0.488 566 I N 2.568 123.117 120.570 -0.035 0.000 2.363 566 I HA 0.067 4.238 4.170 0.002 0.000 0.292 566 I C -0.332 175.671 176.117 -0.191 0.000 1.075 566 I CA -0.236 61.000 61.300 -0.106 0.000 1.333 566 I CB 0.397 38.320 38.000 -0.129 0.000 1.415 566 I HN 0.557 nan 8.210 nan 0.000 0.502 567 D N 4.917 125.239 120.400 -0.130 0.000 2.357 567 D HA 0.096 4.737 4.640 0.002 0.000 0.242 567 D C 0.279 176.501 176.300 -0.130 0.000 1.153 567 D CA 0.020 53.962 54.000 -0.097 0.000 0.918 567 D CB 0.774 41.543 40.800 -0.052 0.000 1.181 567 D HN 0.359 nan 8.370 nan 0.000 0.435 568 T N 1.510 116.032 114.554 -0.054 0.000 2.916 568 T HA 0.090 4.441 4.350 0.002 0.000 0.303 568 T C 0.526 175.221 174.700 -0.008 0.000 1.025 568 T CA 0.078 62.174 62.100 -0.008 0.000 1.142 568 T CB 0.555 69.446 68.868 0.037 0.000 0.947 568 T HN 0.152 nan 8.240 nan 0.000 0.544 569 K N 3.085 123.493 120.400 0.013 0.000 2.483 569 K HA 0.270 4.591 4.320 0.002 0.000 0.256 569 K C -0.782 175.831 176.600 0.022 0.000 0.961 569 K CA -0.592 55.701 56.287 0.010 0.000 0.873 569 K CB 0.814 33.319 32.500 0.008 0.000 1.107 569 K HN 0.500 nan 8.250 nan 0.000 0.432 570 E N 3.903 124.110 120.200 0.011 0.000 2.259 570 E HA 0.114 4.465 4.350 0.002 0.000 0.281 570 E C 0.596 177.198 176.600 0.004 0.000 1.037 570 E CA 0.059 56.464 56.400 0.007 0.000 0.854 570 E CB 1.088 30.788 29.700 -0.001 0.000 1.051 570 E HN 0.532 nan 8.360 nan 0.000 0.409 571 I N 1.998 122.570 120.570 0.004 0.000 2.810 571 I HA 0.050 4.221 4.170 0.002 0.000 0.262 571 I C 0.555 176.668 176.117 -0.007 0.000 1.131 571 I CA 0.215 61.517 61.300 0.003 0.000 1.453 571 I CB 0.045 38.052 38.000 0.012 0.000 1.161 571 I HN 0.558 nan 8.210 nan 0.000 0.444 572 N N 0.790 119.479 118.700 -0.018 0.000 3.227 572 N HA 0.173 4.914 4.740 0.002 0.000 0.241 572 N C -1.372 174.109 175.510 -0.048 0.000 1.480 572 N CA -0.770 52.261 53.050 -0.031 0.000 0.886 572 N CB 2.395 40.861 38.487 -0.035 0.000 1.406 572 N HN -0.166 nan 8.380 nan 0.000 0.514 573 K N 1.177 121.544 120.400 -0.055 0.000 2.413 573 K HA 0.375 4.696 4.320 0.002 0.000 0.257 573 K C -0.740 175.804 176.600 -0.094 0.000 0.946 573 K CA -0.620 55.625 56.287 -0.070 0.000 0.823 573 K CB 1.740 34.209 32.500 -0.051 0.000 1.109 573 K HN 0.418 nan 8.250 nan 0.000 0.427 574 V N 3.616 123.439 119.914 -0.151 0.000 2.694 574 V HA -0.105 4.016 4.120 0.002 0.000 0.306 574 V C 0.895 176.941 176.094 -0.080 0.000 1.054 574 V CA 0.109 62.299 62.300 -0.183 0.000 1.161 574 V CB 0.388 32.002 31.823 -0.348 0.000 0.916 574 V HN 0.741 nan 8.190 nan 0.000 0.490 575 N N 4.990 123.668 118.700 -0.037 0.000 3.111 575 N HA 0.217 4.958 4.740 0.002 0.000 0.302 575 N C -0.417 175.112 175.510 0.032 0.000 1.317 575 N CA -0.136 52.913 53.050 -0.002 0.000 1.151 575 N CB -0.469 38.024 38.487 0.010 0.000 1.456 575 N HN 0.711 nan 8.380 nan 0.000 0.547 576 I N -2.588 117.994 120.570 0.019 0.000 2.892 576 I HA 0.596 4.767 4.170 0.002 0.000 0.306 576 I C 0.252 176.326 176.117 -0.073 0.000 1.078 576 I CA -1.230 60.081 61.300 0.018 0.000 1.032 576 I CB 1.776 39.843 38.000 0.111 0.000 1.229 576 I HN -0.001 nan 8.210 nan 0.000 0.435 577 S N 1.717 117.330 115.700 -0.145 0.000 2.596 577 S HA 0.057 4.528 4.470 0.002 0.000 0.260 577 S C 0.901 175.392 174.600 -0.182 0.000 1.336 577 S CA -0.100 58.005 58.200 -0.158 0.000 0.993 577 S CB 1.172 64.259 63.200 -0.189 0.000 0.923 577 S HN 0.871 nan 8.310 nan 0.000 0.567 578 E N 0.759 120.870 120.200 -0.149 0.000 2.265 578 E HA -0.151 4.200 4.350 0.002 0.000 0.196 578 E C 1.863 178.353 176.600 -0.182 0.000 0.996 578 E CA 1.553 57.863 56.400 -0.149 0.000 0.832 578 E CB -0.349 29.286 29.700 -0.108 0.000 0.756 578 E HN 0.813 nan 8.360 nan 0.000 0.491 579 S N -0.215 115.364 115.700 -0.202 0.000 2.458 579 S HA -0.036 4.435 4.470 0.002 0.000 0.223 579 S C 1.492 175.903 174.600 -0.314 0.000 1.019 579 S CA 0.476 58.550 58.200 -0.210 0.000 0.937 579 S CB 0.022 63.122 63.200 -0.167 0.000 0.788 579 S HN 0.049 nan 8.310 nan 0.000 0.511 580 D N 1.881 121.984 120.400 -0.495 0.000 2.104 580 D HA -0.081 4.560 4.640 0.002 0.000 0.194 580 D C 1.773 177.789 176.300 -0.473 0.000 0.994 580 D CA 1.364 54.834 54.000 -0.882 0.000 0.830 580 D CB -0.443 39.556 40.800 -1.335 0.000 0.959 580 D HN 0.380 nan 8.370 nan 0.000 0.452 581 M N 0.908 120.328 119.600 -0.301 0.000 2.202 581 M HA -0.072 4.409 4.480 0.002 0.000 0.262 581 M C 1.789 177.860 176.300 -0.381 0.000 1.063 581 M CA 1.193 56.333 55.300 -0.267 0.000 1.097 581 M CB -0.336 32.087 32.600 -0.294 0.000 1.382 581 M HN -0.010 nan 8.290 nan 0.000 0.413 582 A N -0.404 122.247 122.820 -0.281 0.000 1.969 582 A HA -0.049 4.272 4.320 0.002 0.000 0.218 582 A C 2.136 179.697 177.584 -0.039 0.000 1.169 582 A CA 1.531 53.466 52.037 -0.169 0.000 0.635 582 A CB -0.932 18.000 19.000 -0.113 0.000 0.810 582 A HN 0.580 nan 8.150 nan 0.000 0.445 583 I N -0.183 120.368 120.570 -0.031 0.000 2.252 583 I HA -0.244 3.927 4.170 0.002 0.000 0.245 583 I C 2.311 178.542 176.117 0.189 0.000 1.102 583 I CA 0.980 62.344 61.300 0.107 0.000 1.385 583 I CB -0.286 37.821 38.000 0.179 0.000 1.064 583 I HN 0.290 nan 8.210 nan 0.000 0.414 584 L N -0.318 121.019 121.223 0.189 0.000 2.012 584 L HA -0.271 4.070 4.340 0.002 0.000 0.210 584 L C 2.584 179.548 176.870 0.157 0.000 1.073 584 L CA 1.721 56.655 54.840 0.157 0.000 0.748 584 L CB -1.160 40.941 42.059 0.069 0.000 0.891 584 L HN 0.358 nan 8.230 nan 0.000 0.431 585 H N -1.030 118.054 119.070 0.024 0.000 2.387 585 H HA -0.239 4.318 4.556 0.002 0.000 0.299 585 H C 2.390 177.822 175.328 0.173 0.000 1.099 585 H CA 1.215 57.322 56.048 0.098 0.000 1.315 585 H CB 0.240 30.041 29.762 0.064 0.000 1.380 585 H HN 0.276 nan 8.280 nan 0.000 0.513 586 Q N 0.675 120.630 119.800 0.258 0.000 2.123 586 Q HA -0.039 4.302 4.340 0.002 0.000 0.199 586 Q C 2.525 178.683 176.000 0.263 0.000 0.966 586 Q CA 1.352 57.282 55.803 0.211 0.000 0.845 586 Q CB -0.368 28.445 28.738 0.124 0.000 0.907 586 Q HN 0.435 nan 8.270 nan 0.000 0.439 587 G N -0.554 108.403 108.800 0.262 0.000 2.421 587 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 587 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 587 G C 0.972 176.089 174.900 0.360 0.000 1.171 587 G CA 0.713 45.973 45.100 0.267 0.000 0.775 587 G HN 0.377 nan 8.290 nan 0.000 0.543 588 F N -0.386 119.638 119.950 0.123 0.000 2.269 588 F HA 0.050 4.578 4.527 0.002 0.000 0.301 588 F C 2.228 178.039 175.800 0.019 0.000 1.082 588 F CA 0.079 58.103 58.000 0.041 0.000 1.360 588 F CB -0.739 38.266 39.000 0.009 0.000 1.041 588 F HN 0.281 nan 8.300 nan 0.000 0.512 589 Y N 0.756 121.160 120.300 0.174 0.000 2.220 589 Y HA -0.158 4.393 4.550 0.002 0.000 0.291 589 Y C 2.283 178.288 175.900 0.175 0.000 1.129 589 Y CA 1.597 59.757 58.100 0.100 0.000 1.161 589 Y CB -0.421 38.047 38.460 0.014 0.000 0.997 589 Y HN 0.052 nan 8.280 nan 0.000 0.522 590 Q N -0.763 119.156 119.800 0.199 0.000 2.297 590 Q HA -0.115 4.225 4.340 0.002 0.000 0.204 590 Q C 2.255 178.293 176.000 0.063 0.000 0.962 590 Q CA 1.246 57.119 55.803 0.117 0.000 0.879 590 Q CB -0.054 28.773 28.738 0.148 0.000 0.947 590 Q HN 0.379 nan 8.270 nan 0.000 0.462 591 V N 1.032 120.981 119.914 0.058 0.000 2.469 591 V HA -0.249 3.872 4.120 0.002 0.000 0.251 591 V C 2.122 178.244 176.094 0.046 0.000 1.064 591 V CA 2.199 64.528 62.300 0.048 0.000 1.066 591 V CB -0.346 31.472 31.823 -0.009 0.000 0.667 591 V HN 0.459 nan 8.190 nan 0.000 0.461 592 S N -2.171 113.522 115.700 -0.012 0.000 2.523 592 S HA 0.078 4.549 4.470 0.002 0.000 0.217 592 S C 1.234 175.608 174.600 -0.377 0.000 0.996 592 S CA 0.049 58.188 58.200 -0.102 0.000 0.921 592 S CB -0.038 63.071 63.200 -0.152 0.000 0.829 592 S HN 0.712 nan 8.310 nan 0.000 0.495 593 H N 0.782 119.696 119.070 -0.261 0.000 3.233 593 H HA 0.461 5.018 4.556 0.002 0.000 0.263 593 H C 1.276 176.543 175.328 -0.101 0.000 1.168 593 H CA -0.117 55.771 56.048 -0.266 0.000 1.159 593 H CB 0.228 29.631 29.762 -0.598 0.000 1.593 593 H HN 0.456 nan 8.280 nan 0.000 0.580 594 G N 0.358 109.183 108.800 0.042 0.000 2.636 594 G HA2 0.270 4.231 3.960 0.002 0.000 0.246 594 G HA3 0.270 4.231 3.960 0.002 0.000 0.246 594 G C 0.729 175.662 174.900 0.056 0.000 1.216 594 G CA 0.290 45.436 45.100 0.077 0.000 0.854 594 G HN 0.366 nan 8.290 nan 0.000 0.572 595 T N -2.913 111.679 114.554 0.062 0.000 3.288 595 T HA 0.402 4.753 4.350 0.002 0.000 0.293 595 T C 0.608 175.318 174.700 0.017 0.000 1.008 595 T CA 0.121 62.242 62.100 0.035 0.000 0.929 595 T CB 0.170 69.058 68.868 0.034 0.000 1.152 595 T HN 0.573 nan 8.240 nan 0.000 0.517 596 S N 1.957 117.671 115.700 0.024 0.000 2.610 596 S HA 0.453 4.924 4.470 0.002 0.000 0.273 596 S C -1.540 173.006 174.600 -0.091 0.000 1.274 596 S CA -1.516 56.650 58.200 -0.057 0.000 1.023 596 S CB 1.163 64.327 63.200 -0.060 0.000 0.962 596 S HN 0.057 nan 8.310 nan 0.000 0.523 597 P HA -0.000 nan 4.420 nan 0.000 0.226 597 P C 0.660 177.897 177.300 -0.105 0.000 1.146 597 P CA 0.990 64.028 63.100 -0.103 0.000 0.773 597 P CB -0.041 31.611 31.700 -0.080 0.000 0.772 598 L N -2.317 118.720 121.223 -0.309 0.000 2.640 598 L HA 0.133 4.474 4.340 0.002 0.000 0.230 598 L C 0.581 177.565 176.870 0.191 0.000 1.123 598 L CA 0.011 54.720 54.840 -0.217 0.000 0.900 598 L CB -0.626 40.748 42.059 -1.141 0.000 1.146 598 L HN -0.211 nan 8.230 nan 0.000 0.484 599 T N 0.590 115.234 114.554 0.150 0.000 2.871 599 T HA 0.000 4.351 4.350 0.002 0.000 0.296 599 T C 1.444 176.220 174.700 0.127 0.000 0.998 599 T CA 0.598 62.821 62.100 0.205 0.000 1.162 599 T CB 0.967 69.903 68.868 0.113 0.000 0.947 599 T HN 0.369 nan 8.240 nan 0.000 0.536 600 T N -0.012 114.609 114.554 0.112 0.000 3.037 600 T HA 0.240 4.591 4.350 0.002 0.000 0.251 600 T C 1.541 176.168 174.700 -0.123 0.000 1.079 600 T CA 0.244 62.315 62.100 -0.049 0.000 1.067 600 T CB 0.372 69.217 68.868 -0.038 0.000 0.948 600 T HN 0.608 nan 8.240 nan 0.000 0.496 601 G N 0.642 109.410 108.800 -0.053 0.000 4.100 601 G HA2 0.251 4.212 3.960 0.002 0.000 0.294 601 G HA3 0.251 4.212 3.960 0.002 0.000 0.294 601 G C 1.110 175.966 174.900 -0.073 0.000 1.040 601 G CA -0.607 44.439 45.100 -0.089 0.000 0.829 601 G HN 0.308 nan 8.290 nan 0.000 0.505 602 R N 0.420 120.861 120.500 -0.098 0.000 2.200 602 R HA -0.068 4.273 4.340 0.002 0.000 0.234 602 R C 2.734 178.955 176.300 -0.132 0.000 1.127 602 R CA 1.116 57.150 56.100 -0.110 0.000 0.989 602 R CB -0.021 30.224 30.300 -0.092 0.000 0.869 602 R HN 0.332 nan 8.270 nan 0.000 0.459 603 A N 0.660 123.361 122.820 -0.197 0.000 2.024 603 A HA -0.176 4.145 4.320 0.002 0.000 0.220 603 A C 1.651 179.126 177.584 -0.182 0.000 1.164 603 A CA 1.155 53.064 52.037 -0.213 0.000 0.643 603 A CB -0.547 18.286 19.000 -0.278 0.000 0.806 603 A HN 0.192 nan 8.150 nan 0.000 0.451 604 F N 0.795 120.659 119.950 -0.144 0.000 2.161 604 F HA -0.154 4.374 4.527 0.002 0.000 0.300 604 F C 2.593 178.302 175.800 -0.150 0.000 1.089 604 F CA 1.755 59.667 58.000 -0.146 0.000 1.282 604 F CB -0.462 38.431 39.000 -0.178 0.000 1.010 604 F HN 0.169 nan 8.300 nan 0.000 0.485 605 S N -1.913 113.779 115.700 -0.014 0.000 2.524 605 S HA -0.043 4.428 4.470 0.002 0.000 0.216 605 S C 0.465 175.029 174.600 -0.061 0.000 0.987 605 S CA -0.011 58.124 58.200 -0.109 0.000 0.909 605 S CB -0.262 62.756 63.200 -0.303 0.000 0.781 605 S HN 0.171 nan 8.310 nan 0.000 0.521 606 D N 1.869 122.240 120.400 -0.048 0.000 2.367 606 D HA 0.334 4.975 4.640 0.002 0.000 0.255 606 D C 1.081 177.375 176.300 -0.009 0.000 1.300 606 D CA 0.667 54.645 54.000 -0.036 0.000 0.959 606 D CB -0.479 40.293 40.800 -0.047 0.000 1.064 606 D HN 0.333 nan 8.370 nan 0.000 0.509 607 G N 2.846 111.646 108.800 -0.001 0.000 2.141 607 G HA2 -0.169 3.792 3.960 0.002 0.000 0.242 607 G HA3 -0.169 3.792 3.960 0.002 0.000 0.242 607 G C 0.480 175.398 174.900 0.030 0.000 0.982 607 G CA 0.086 45.195 45.100 0.016 0.000 0.662 607 G HN 0.904 nan 8.290 nan 0.000 0.527 608 A N 0.565 123.400 122.820 0.026 0.000 2.492 608 A HA 0.623 4.944 4.320 0.002 0.000 0.254 608 A C 1.602 179.215 177.584 0.048 0.000 1.091 608 A CA 1.477 53.539 52.037 0.042 0.000 0.768 608 A CB 0.241 19.259 19.000 0.030 0.000 1.028 608 A HN 1.541 nan 8.150 nan 0.000 0.498 609 T N -0.277 114.312 114.554 0.059 0.000 3.081 609 T HA 0.290 4.641 4.350 0.002 0.000 0.255 609 T C 0.491 175.229 174.700 0.062 0.000 1.113 609 T CA 0.794 62.928 62.100 0.056 0.000 1.082 609 T CB -0.957 67.945 68.868 0.055 0.000 0.939 609 T HN 1.333 nan 8.240 nan 0.000 0.506 610 V N -1.988 117.971 119.914 0.073 0.000 3.102 610 V HA 0.747 4.868 4.120 0.002 0.000 0.312 610 V C -0.037 176.113 176.094 0.094 0.000 1.135 610 V CA -1.373 60.976 62.300 0.082 0.000 1.022 610 V CB 1.472 33.349 31.823 0.089 0.000 1.056 610 V HN 0.099 nan 8.190 nan 0.000 0.436 611 S N 1.721 117.492 115.700 0.119 0.000 2.498 611 S HA 0.491 4.962 4.470 0.002 0.000 0.281 611 S C -0.344 174.327 174.600 0.119 0.000 1.265 611 S CA -0.235 58.070 58.200 0.174 0.000 1.071 611 S CB -0.854 62.466 63.200 0.201 0.000 0.894 611 S HN 0.564 nan 8.310 nan 0.000 0.491 612 I N 4.288 124.908 120.570 0.084 0.000 2.404 612 I HA 0.324 4.495 4.170 0.002 0.000 0.293 612 I C -0.006 176.000 176.117 -0.184 0.000 0.992 612 I CA -0.498 60.747 61.300 -0.092 0.000 1.149 612 I CB 2.160 40.087 38.000 -0.122 0.000 1.315 612 I HN 0.495 nan 8.210 nan 0.000 0.446 613 S N 3.100 118.528 115.700 -0.453 0.000 2.532 613 S HA 0.927 5.397 4.470 0.002 0.000 0.301 613 S C 0.051 174.169 174.600 -0.802 0.000 1.083 613 S CA -0.599 57.276 58.200 -0.541 0.000 1.025 613 S CB 2.204 65.043 63.200 -0.601 0.000 1.056 613 S HN 0.943 nan 8.310 nan 0.000 0.494 614 G N 0.986 109.368 108.800 -0.697 0.000 2.490 614 G HA2 0.622 4.583 3.960 0.002 0.000 0.308 614 G HA3 0.622 4.583 3.960 0.002 0.000 0.308 614 G C -2.095 172.247 174.900 -0.930 0.000 1.286 614 G CA -0.647 43.913 45.100 -0.901 0.000 0.825 614 G HN 0.587 nan 8.290 nan 0.000 0.479 615 K N 0.074 120.115 120.400 -0.598 0.000 2.561 615 K HA 0.637 4.958 4.320 0.002 0.000 0.254 615 K C -0.112 176.477 176.600 -0.019 0.000 0.942 615 K CA -0.049 55.967 56.287 -0.450 0.000 0.818 615 K CB 1.470 33.427 32.500 -0.905 0.000 1.306 615 K HN 1.006 nan 8.250 nan 0.000 0.435 616 T N 0.007 114.564 114.554 0.006 0.000 2.902 616 T HA 0.811 5.162 4.350 0.002 0.000 0.280 616 T C 0.533 175.218 174.700 -0.026 0.000 0.992 616 T CA -0.419 61.661 62.100 -0.032 0.000 1.015 616 T CB 1.540 70.329 68.868 -0.132 0.000 1.044 616 T HN 0.560 nan 8.240 nan 0.000 0.520 631 N N 1.652 120.316 118.700 -0.060 0.000 2.472 631 N HA 0.470 5.211 4.740 0.002 0.000 0.277 631 N C 0.471 175.944 175.510 -0.061 0.000 1.081 631 N CA -0.149 52.861 53.050 -0.067 0.000 0.973 631 N CB 1.318 39.766 38.487 -0.065 0.000 1.105 631 N HN 0.890 nan 8.380 nan 0.000 0.470 632 T N -0.805 113.701 114.554 -0.080 0.000 3.218 632 T HA 0.280 4.631 4.350 0.002 0.000 0.236 632 T C -0.069 174.598 174.700 -0.055 0.000 1.005 632 T CA -0.832 61.195 62.100 -0.123 0.000 1.055 632 T CB -0.811 67.899 68.868 -0.262 0.000 1.136 632 T HN 0.165 nan 8.240 nan 0.000 0.577 633 N N 1.757 120.446 118.700 -0.018 0.000 2.445 633 N HA 0.736 5.477 4.740 0.002 0.000 0.264 633 N C -0.505 175.014 175.510 0.014 0.000 1.227 633 N CA -0.416 52.645 53.050 0.019 0.000 0.963 633 N CB 1.487 39.997 38.487 0.038 0.000 1.188 633 N HN 0.724 nan 8.380 nan 0.000 0.491 634 A N -0.406 122.446 122.820 0.052 0.000 2.589 634 A HA 0.589 4.910 4.320 0.002 0.000 0.296 634 A C -0.974 176.690 177.584 0.133 0.000 1.062 634 A CA -0.710 51.390 52.037 0.105 0.000 0.686 634 A CB 0.872 19.931 19.000 0.099 0.000 1.282 634 A HN 0.436 nan 8.150 nan 0.000 0.404 635 V N -1.556 118.436 119.914 0.129 0.000 2.823 635 V HA 1.052 5.172 4.120 0.002 0.000 0.312 635 V C -0.115 175.946 176.094 -0.054 0.000 1.072 635 V CA -0.221 62.123 62.300 0.073 0.000 0.937 635 V CB 1.122 32.997 31.823 0.088 0.000 1.013 635 V HN 2.538 nan 8.190 nan 0.000 0.430 636 A N 2.859 125.637 122.820 -0.070 0.000 2.612 636 A HA 0.985 5.306 4.320 0.002 0.000 0.293 636 A C -1.420 176.126 177.584 -0.063 0.000 1.075 636 A CA -0.493 51.376 52.037 -0.280 0.000 0.680 636 A CB 1.846 20.591 19.000 -0.424 0.000 1.279 636 A HN 2.224 nan 8.150 nan 0.000 0.411 637 Y N -1.982 118.255 120.300 -0.106 0.000 2.644 637 Y HA 0.948 5.499 4.550 0.002 0.000 0.338 637 Y C -0.357 175.513 175.900 -0.050 0.000 1.119 637 Y CA -1.127 56.934 58.100 -0.066 0.000 1.060 637 Y CB 1.216 39.639 38.460 -0.062 0.000 1.294 637 Y HN 1.909 nan 8.280 nan 0.000 0.472 638 A N 0.839 123.786 122.820 0.213 0.000 2.590 638 A HA 0.695 5.016 4.320 0.002 0.000 0.294 638 A C -3.422 174.257 177.584 0.158 0.000 1.046 638 A CA -1.587 50.534 52.037 0.141 0.000 0.684 638 A CB 0.993 20.037 19.000 0.073 0.000 1.279 638 A HN 0.465 nan 8.150 nan 0.000 0.415 639 P HA 0.286 nan 4.420 nan 0.000 0.274 639 P C 0.965 178.353 177.300 0.146 0.000 1.231 639 P CA 0.194 63.367 63.100 0.122 0.000 0.790 639 P CB 0.542 32.301 31.700 0.098 0.000 0.951 640 T N 0.729 115.363 114.554 0.133 0.000 2.649 640 T HA -0.203 4.148 4.350 0.002 0.000 0.268 640 T C 1.322 176.093 174.700 0.117 0.000 1.036 640 T CA 1.662 63.858 62.100 0.159 0.000 1.157 640 T CB -0.402 68.557 68.868 0.153 0.000 0.861 640 T HN 0.540 nan 8.240 nan 0.000 0.445 641 E N 0.592 120.832 120.200 0.066 0.000 2.371 641 E HA 0.055 4.406 4.350 0.002 0.000 0.194 641 E C 0.725 177.341 176.600 0.027 0.000 1.012 641 E CA 0.407 56.823 56.400 0.027 0.000 0.860 641 E CB 0.017 29.724 29.700 0.011 0.000 0.811 641 E HN 0.366 nan 8.360 nan 0.000 0.502 642 N N 0.466 119.192 118.700 0.044 0.000 2.824 642 N HA 0.142 4.883 4.740 0.002 0.000 0.224 642 N C -3.044 172.495 175.510 0.048 0.000 1.418 642 N CA -1.532 51.538 53.050 0.033 0.000 0.743 642 N CB 0.959 39.466 38.487 0.034 0.000 1.395 642 N HN -0.266 nan 8.380 nan 0.000 0.548 643 P HA 0.192 nan 4.420 nan 0.000 0.271 643 P C -0.150 177.177 177.300 0.046 0.000 1.220 643 P CA 0.260 63.390 63.100 0.050 0.000 0.768 643 P CB 1.028 32.692 31.700 -0.060 0.000 0.848 644 Q N 1.946 121.797 119.800 0.086 0.000 2.185 644 Q HA 0.382 4.723 4.340 0.002 0.000 0.234 644 Q C 0.148 176.162 176.000 0.022 0.000 0.819 644 Q CA -0.042 55.816 55.803 0.092 0.000 0.961 644 Q CB 0.926 29.780 28.738 0.192 0.000 1.140 644 Q HN 0.409 nan 8.270 nan 0.000 0.492 645 I N -0.003 120.573 120.570 0.009 0.000 2.752 645 I HA 0.694 4.865 4.170 0.002 0.000 0.295 645 I C -2.025 174.093 176.117 0.002 0.000 1.219 645 I CA -0.987 60.252 61.300 -0.102 0.000 1.030 645 I CB 1.800 39.670 38.000 -0.217 0.000 1.259 645 I HN -0.089 nan 8.210 nan 0.000 0.423 646 A N 6.482 129.291 122.820 -0.019 0.000 2.371 646 A HA 0.817 5.138 4.320 0.002 0.000 0.311 646 A C -1.813 175.783 177.584 0.021 0.000 1.068 646 A CA -0.564 51.502 52.037 0.049 0.000 0.744 646 A CB 1.948 20.969 19.000 0.035 0.000 1.239 646 A HN 0.667 nan 8.150 nan 0.000 0.435 647 V N 1.280 121.220 119.914 0.044 0.000 2.841 647 V HA 0.855 4.976 4.120 0.002 0.000 0.310 647 V C -0.412 175.717 176.094 0.059 0.000 1.090 647 V CA 0.067 62.392 62.300 0.042 0.000 0.930 647 V CB 1.893 33.743 31.823 0.046 0.000 1.014 647 V HN 1.807 nan 8.190 nan 0.000 0.425 648 A N 5.294 128.152 122.820 0.062 0.000 2.355 648 A HA 0.901 5.222 4.320 0.002 0.000 0.317 648 A C -1.319 176.299 177.584 0.058 0.000 1.094 648 A CA -0.551 51.532 52.037 0.076 0.000 0.764 648 A CB 1.917 20.974 19.000 0.095 0.000 1.230 648 A HN 1.072 nan 8.150 nan 0.000 0.448 649 V N 2.567 122.514 119.914 0.056 0.000 2.531 649 V HA 0.514 4.635 4.120 0.002 0.000 0.301 649 V C -0.751 175.360 176.094 0.028 0.000 1.034 649 V CA -0.465 61.853 62.300 0.029 0.000 0.865 649 V CB 1.787 33.620 31.823 0.018 0.000 0.995 649 V HN 0.680 nan 8.190 nan 0.000 0.424 650 V N 5.625 125.533 119.914 -0.009 0.000 2.443 650 V HA 0.505 4.626 4.120 0.002 0.000 0.293 650 V C -1.087 174.973 176.094 -0.055 0.000 1.021 650 V CA -0.407 61.848 62.300 -0.075 0.000 0.848 650 V CB 1.659 33.331 31.823 -0.253 0.000 0.998 650 V HN 0.705 nan 8.190 nan 0.000 0.424 651 F N 8.550 128.428 119.950 -0.119 0.000 2.824 651 F HA 0.602 5.130 4.527 0.002 0.000 0.375 651 F C -2.656 173.122 175.800 -0.035 0.000 1.190 651 F CA -2.841 55.134 58.000 -0.042 0.000 1.180 651 F CB 1.904 40.883 39.000 -0.035 0.000 1.477 651 F HN 0.315 nan 8.300 nan 0.000 0.542 652 P HA 0.178 nan 4.420 nan 0.000 0.281 652 P C -0.498 176.941 177.300 0.231 0.000 1.249 652 P CA 0.296 63.471 63.100 0.124 0.000 0.810 652 P CB 0.545 32.342 31.700 0.160 0.000 1.008 653 H N -1.503 117.699 119.070 0.219 0.000 2.692 653 H HA -0.177 4.380 4.556 0.002 0.000 0.316 653 H C 0.229 175.649 175.328 0.153 0.000 1.176 653 H CA 0.529 56.689 56.048 0.186 0.000 1.142 653 H CB -2.018 27.880 29.762 0.226 0.000 1.475 653 H HN 0.494 nan 8.280 nan 0.000 0.423 654 N N 1.378 120.134 118.700 0.093 0.000 2.414 654 N HA 0.055 4.796 4.740 0.002 0.000 0.256 654 N C 1.102 176.570 175.510 -0.070 0.000 1.029 654 N CA 0.542 53.535 53.050 -0.095 0.000 0.948 654 N CB 0.900 39.084 38.487 -0.505 0.000 1.102 654 N HN 0.369 nan 8.380 nan 0.000 0.496 655 T N -0.231 114.305 114.554 -0.030 0.000 3.107 655 T HA 0.134 4.485 4.350 0.002 0.000 0.249 655 T C 0.462 175.128 174.700 -0.056 0.000 1.096 655 T CA -0.307 61.789 62.100 -0.006 0.000 1.012 655 T CB -0.245 68.652 68.868 0.048 0.000 0.977 655 T HN 0.247 nan 8.240 nan 0.000 0.527 656 N N 2.659 121.289 118.700 -0.115 0.000 2.418 656 N HA 0.158 4.899 4.740 0.002 0.000 0.277 656 N C 0.831 176.272 175.510 -0.114 0.000 1.317 656 N CA -0.263 52.713 53.050 -0.123 0.000 0.922 656 N CB 0.931 39.315 38.487 -0.172 0.000 1.194 656 N HN 0.492 nan 8.380 nan 0.000 0.485 657 L N 1.135 122.309 121.223 -0.081 0.000 2.616 657 L HA 0.293 4.634 4.340 0.002 0.000 0.229 657 L C 1.679 178.503 176.870 -0.078 0.000 1.110 657 L CA 0.346 55.142 54.840 -0.073 0.000 0.884 657 L CB -0.449 41.588 42.059 -0.038 0.000 1.115 657 L HN 0.416 nan 8.230 nan 0.000 0.481 658 T N -2.088 112.419 114.554 -0.079 0.000 3.044 658 T HA 0.168 4.519 4.350 0.002 0.000 0.255 658 T C 0.678 175.322 174.700 -0.094 0.000 1.073 658 T CA 0.501 62.556 62.100 -0.075 0.000 1.125 658 T CB -0.125 68.708 68.868 -0.058 0.000 0.908 658 T HN 0.575 nan 8.240 nan 0.000 0.480 659 K N 0.304 120.635 120.400 -0.114 0.000 2.523 659 K HA 0.478 4.799 4.320 0.002 0.000 0.257 659 K C -1.688 174.812 176.600 -0.167 0.000 0.932 659 K CA -0.997 55.211 56.287 -0.131 0.000 0.812 659 K CB 1.410 33.848 32.500 -0.104 0.000 1.326 659 K HN -0.132 nan 8.250 nan 0.000 0.433 660 N N 3.156 121.740 118.700 -0.195 0.000 2.501 660 N HA 0.075 4.815 4.740 0.002 0.000 0.245 660 N C 0.646 176.016 175.510 -0.232 0.000 0.974 660 N CA -0.487 52.423 53.050 -0.234 0.000 0.941 660 N CB 1.774 40.105 38.487 -0.260 0.000 1.122 660 N HN 0.641 nan 8.380 nan 0.000 0.507 661 V N 2.295 122.072 119.914 -0.228 0.000 3.305 661 V HA 0.161 4.282 4.120 0.002 0.000 0.269 661 V C 1.928 177.868 176.094 -0.256 0.000 1.157 661 V CA 1.408 63.597 62.300 -0.185 0.000 1.157 661 V CB -0.747 31.035 31.823 -0.068 0.000 0.772 661 V HN 0.489 nan 8.190 nan 0.000 0.498 662 G N 1.364 110.021 108.800 -0.238 0.000 2.480 662 G HA2 -0.156 3.805 3.960 0.002 0.000 0.216 662 G HA3 -0.156 3.805 3.960 0.002 0.000 0.216 662 G C -0.015 174.746 174.900 -0.232 0.000 1.200 662 G CA 1.372 46.364 45.100 -0.180 0.000 0.782 662 G HN 0.605 nan 8.290 nan 0.000 0.554 663 P HA -0.033 nan 4.420 nan 0.000 0.218 663 P C 2.036 179.112 177.300 -0.373 0.000 1.148 663 P CA 1.948 64.618 63.100 -0.716 0.000 0.822 663 P CB -0.125 30.830 31.700 -1.241 0.000 0.784 664 A N -0.967 121.676 122.820 -0.295 0.000 1.929 664 A HA -0.110 4.211 4.320 0.002 0.000 0.216 664 A C 2.161 179.623 177.584 -0.204 0.000 1.176 664 A CA 1.088 53.024 52.037 -0.167 0.000 0.628 664 A CB -1.459 17.500 19.000 -0.068 0.000 0.816 664 A HN 0.098 nan 8.150 nan 0.000 0.444 665 I N -0.022 120.297 120.570 -0.418 0.000 2.179 665 I HA -0.286 3.885 4.170 0.002 0.000 0.242 665 I C 2.999 179.042 176.117 -0.125 0.000 1.088 665 I CA 1.101 62.143 61.300 -0.430 0.000 1.357 665 I CB -0.411 37.306 38.000 -0.471 0.000 1.051 665 I HN 0.338 nan 8.210 nan 0.000 0.409 666 A N 0.900 123.698 122.820 -0.036 0.000 1.892 666 A HA -0.293 4.028 4.320 0.002 0.000 0.218 666 A C 2.477 180.135 177.584 0.125 0.000 1.188 666 A CA 2.181 54.274 52.037 0.093 0.000 0.631 666 A CB -0.788 18.367 19.000 0.259 0.000 0.822 666 A HN 0.402 nan 8.150 nan 0.000 0.447 667 R N -0.579 120.010 120.500 0.148 0.000 2.073 667 R HA -0.184 4.157 4.340 0.002 0.000 0.234 667 R C 1.320 177.688 176.300 0.112 0.000 1.134 667 R CA 1.998 58.185 56.100 0.145 0.000 0.952 667 R CB -0.419 29.955 30.300 0.124 0.000 0.850 667 R HN 0.437 nan 8.270 nan 0.000 0.433 668 D N 0.298 120.752 120.400 0.090 0.000 2.183 668 D HA -0.079 4.562 4.640 0.002 0.000 0.203 668 D C 1.900 178.278 176.300 0.130 0.000 0.969 668 D CA 0.928 54.997 54.000 0.115 0.000 0.842 668 D CB -0.036 40.852 40.800 0.147 0.000 0.957 668 D HN 0.342 nan 8.370 nan 0.000 0.484 669 I N 0.489 121.126 120.570 0.111 0.000 2.252 669 I HA -0.194 3.977 4.170 0.002 0.000 0.245 669 I C 2.288 178.561 176.117 0.260 0.000 1.102 669 I CA 0.646 62.040 61.300 0.158 0.000 1.385 669 I CB -0.037 38.025 38.000 0.102 0.000 1.064 669 I HN -0.041 nan 8.210 nan 0.000 0.414 670 I N 0.750 121.437 120.570 0.194 0.000 2.179 670 I HA -0.294 3.877 4.170 0.002 0.000 0.242 670 I C 2.179 178.436 176.117 0.234 0.000 1.088 670 I CA 1.290 62.714 61.300 0.206 0.000 1.357 670 I CB -0.528 37.552 38.000 0.133 0.000 1.051 670 I HN 0.305 nan 8.210 nan 0.000 0.409 671 N N 0.949 119.760 118.700 0.185 0.000 2.166 671 N HA -0.120 4.621 4.740 0.002 0.000 0.186 671 N C 1.959 177.588 175.510 0.199 0.000 1.019 671 N CA 1.182 54.329 53.050 0.161 0.000 0.856 671 N CB -0.401 38.160 38.487 0.124 0.000 0.993 671 N HN 0.297 nan 8.380 nan 0.000 0.426 672 L N -0.474 120.901 121.223 0.253 0.000 2.042 672 L HA -0.220 4.121 4.340 0.002 0.000 0.210 672 L C 2.259 179.379 176.870 0.417 0.000 1.076 672 L CA 1.242 56.273 54.840 0.318 0.000 0.749 672 L CB -0.453 41.803 42.059 0.329 0.000 0.893 672 L HN 0.159 nan 8.230 nan 0.000 0.432 673 Y N 0.815 121.303 120.300 0.314 0.000 2.181 673 Y HA -0.296 4.255 4.550 0.002 0.000 0.288 673 Y C 2.519 178.476 175.900 0.094 0.000 1.146 673 Y CA 1.924 60.044 58.100 0.034 0.000 1.164 673 Y CB -0.309 38.079 38.460 -0.121 0.000 0.982 673 Y HN 0.232 nan 8.280 nan 0.000 0.515 674 N N 0.193 118.965 118.700 0.120 0.000 2.104 674 N HA -0.233 4.508 4.740 0.002 0.000 0.190 674 N C 1.955 177.453 175.510 -0.019 0.000 1.024 674 N CA 1.769 54.838 53.050 0.031 0.000 0.853 674 N CB -0.417 38.125 38.487 0.092 0.000 1.008 674 N HN 0.546 nan 8.380 nan 0.000 0.424 675 Q N -1.034 118.791 119.800 0.043 0.000 2.045 675 Q HA -0.268 4.073 4.340 0.002 0.000 0.206 675 Q C 1.810 177.814 176.000 0.005 0.000 0.991 675 Q CA 2.081 57.907 55.803 0.039 0.000 0.851 675 Q CB -0.240 28.556 28.738 0.096 0.000 0.911 675 Q HN 0.676 nan 8.270 nan 0.000 0.418 676 H N -1.874 117.143 119.070 -0.089 0.000 2.470 676 H HA -0.040 4.517 4.556 0.002 0.000 0.289 676 H C -0.192 175.018 175.328 -0.197 0.000 1.033 676 H CA 1.419 57.398 56.048 -0.113 0.000 1.331 676 H CB 0.274 29.998 29.762 -0.064 0.000 1.414 676 H HN 0.281 nan 8.280 nan 0.000 0.545 677 H N -0.769 117.989 119.070 -0.520 0.000 2.661 677 H HA 0.310 4.867 4.556 0.002 0.000 0.243 677 H C -2.912 172.184 175.328 -0.387 0.000 1.410 677 H CA -2.148 53.566 56.048 -0.557 0.000 1.509 677 H CB 0.401 29.666 29.762 -0.828 0.000 1.761 677 H HN 0.080 nan 8.280 nan 0.000 0.576 678 P HA -0.051 nan 4.420 nan 0.000 0.263 678 P C 0.259 177.437 177.300 -0.205 0.000 1.175 678 P CA 0.601 63.573 63.100 -0.214 0.000 0.761 678 P CB 0.732 32.324 31.700 -0.181 0.000 0.794 679 M N 0.733 120.301 119.600 -0.053 0.000 2.999 679 M HA 0.118 4.599 4.480 0.002 0.000 0.246 679 M C 0.249 176.558 176.300 0.015 0.000 1.478 679 M CA 0.367 55.679 55.300 0.020 0.000 1.243 679 M CB 0.051 32.732 32.600 0.135 0.000 1.213 679 M HN 0.369 nan 8.290 nan 0.000 0.564 680 N N 0.000 118.713 118.700 0.022 0.000 1.763 680 N HA 0.000 4.741 4.740 0.002 0.000 0.220 680 N CA 0.000 53.062 53.050 0.020 0.000 0.885 680 N CB 0.000 38.487 38.487 0.001 0.000 1.341 680 N HN 0.000 nan 8.380 nan 0.000 0.667