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 2cnc_1_A DATA FIRST_RESID 34 DATA SEQUENCE TGLKSAYKDN FLIGAALNAT IASGADERLN TLIAKEFNSI TPENCMKWGV DATA SEQUENCE LRDAQGQWNW KDADAFVAFG TKHNLHMVGH TLVWHSQIHD EVFKNADGSY DATA SEQUENCE ISKAALQKKM EEHITTLAGR YKGKLAAWDV VNEAVGDDLK MRDSHWYKIM DATA SEQUENCE GDDFIYNAFT LANEVDPKAH LMYNDYNIER TGKREATVEM IERLQKRGMP DATA SEQUENCE IHGLGIQGHL GIDTPPIAEI EKSIIAFAKL GLRVHFTSLD VDVLPSVWEL DATA SEQUENCE PVAEVSTRFE YKPERDPYTK GLPQEMQDKL AKRYEDLFKL FIKHSDKIDR DATA SEQUENCE VTFWGVSDDA SWLNDFSIPG RTNYPLLFDR KLQPKDAYFR LLDLKRLEHH 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 34 T HA 0.000 nan 4.350 nan 0.000 0.228 34 T C 0.000 174.734 174.700 0.057 0.000 1.109 34 T CA 0.000 62.120 62.100 0.033 0.000 1.349 34 T CB 0.000 68.877 68.868 0.015 0.000 0.612 35 G N -0.523 108.306 108.800 0.049 0.000 2.820 35 G HA2 0.638 4.616 3.960 0.030 0.000 0.291 35 G HA3 0.638 4.616 3.960 0.030 0.000 0.291 35 G C 0.684 175.619 174.900 0.058 0.000 1.323 35 G CA -0.867 44.281 45.100 0.080 0.000 1.055 35 G HN 0.672 nan 8.290 nan 0.000 0.520 36 L N -0.178 121.093 121.223 0.080 0.000 2.013 36 L HA -0.176 4.182 4.340 0.030 0.000 0.212 36 L C 3.103 180.117 176.870 0.241 0.000 1.073 36 L CA 2.290 57.214 54.840 0.139 0.000 0.753 36 L CB -0.312 41.802 42.059 0.091 0.000 0.890 36 L HN 0.796 nan 8.230 nan 0.000 0.432 37 K N -0.320 120.163 120.400 0.139 0.000 2.063 37 K HA -0.148 4.190 4.320 0.030 0.000 0.208 37 K C 1.913 178.598 176.600 0.142 0.000 1.048 37 K CA 2.011 58.402 56.287 0.174 0.000 0.928 37 K CB -0.436 32.140 32.500 0.126 0.000 0.713 37 K HN 0.172 nan 8.250 nan 0.000 0.442 38 S N 1.213 116.959 115.700 0.077 0.000 2.414 38 S HA 0.082 4.570 4.470 0.030 0.000 0.227 38 S C 2.298 176.888 174.600 -0.015 0.000 1.022 38 S CA 0.511 58.729 58.200 0.029 0.000 0.958 38 S CB -0.156 63.049 63.200 0.008 0.000 0.797 38 S HN 0.506 nan 8.310 nan 0.000 0.493 39 A N 0.709 123.512 122.820 -0.029 0.000 1.948 39 A HA -0.095 4.243 4.320 0.030 0.000 0.220 39 A C 1.432 178.785 177.584 -0.384 0.000 1.177 39 A CA 1.329 53.244 52.037 -0.203 0.000 0.636 39 A CB -0.681 18.176 19.000 -0.238 0.000 0.815 39 A HN 0.605 nan 8.150 nan 0.000 0.449 40 Y N -1.237 119.037 120.300 -0.044 0.000 2.636 40 Y HA 0.207 4.774 4.550 0.027 0.000 0.260 40 Y C 1.741 177.557 175.900 -0.140 0.000 1.177 40 Y CA 0.056 58.087 58.100 -0.115 0.000 1.209 40 Y CB 0.270 38.733 38.460 0.004 0.000 1.166 40 Y HN 0.321 nan 8.280 nan 0.000 0.531 41 K N 0.520 120.922 120.400 0.003 0.000 2.074 41 K HA -0.204 4.134 4.320 0.030 0.000 0.209 41 K C 0.626 177.203 176.600 -0.039 0.000 1.048 41 K CA 2.245 58.534 56.287 0.003 0.000 0.926 41 K CB 0.084 32.576 32.500 -0.013 0.000 0.713 41 K HN 0.240 nan 8.250 nan 0.000 0.444 42 D N -0.635 119.712 120.400 -0.088 0.000 2.354 42 D HA 0.001 4.659 4.640 0.030 0.000 0.209 42 D C 0.940 177.167 176.300 -0.122 0.000 1.015 42 D CA 0.457 54.401 54.000 -0.093 0.000 0.867 42 D CB 0.088 40.828 40.800 -0.101 0.000 0.933 42 D HN 0.357 nan 8.370 nan 0.000 0.520 43 N N -0.424 118.142 118.700 -0.223 0.000 2.240 43 N HA 0.095 4.853 4.740 0.030 0.000 0.187 43 N C -0.074 175.238 175.510 -0.331 0.000 1.042 43 N CA 0.709 53.503 53.050 -0.426 0.000 0.861 43 N CB 0.328 38.230 38.487 -0.975 0.000 1.026 43 N HN 0.057 nan 8.380 nan 0.000 0.441 44 F N -1.786 118.243 119.950 0.130 0.000 2.900 44 F HA 0.423 4.965 4.527 0.025 0.000 0.321 44 F C -1.689 174.153 175.800 0.071 0.000 1.160 44 F CA -1.497 56.532 58.000 0.048 0.000 0.890 44 F CB 0.599 39.596 39.000 -0.005 0.000 1.334 44 F HN -0.329 nan 8.300 nan 0.000 0.459 45 L N 2.920 124.325 121.223 0.303 0.000 2.395 45 L HA 0.451 4.809 4.340 0.030 0.000 0.269 45 L C -0.389 176.678 176.870 0.328 0.000 1.133 45 L CA -0.673 54.297 54.840 0.217 0.000 0.812 45 L CB 0.662 42.743 42.059 0.037 0.000 1.125 45 L HN 0.348 nan 8.230 nan 0.000 0.452 46 I N 2.050 122.839 120.570 0.364 0.000 2.339 46 I HA 0.491 4.679 4.170 0.030 0.000 0.290 46 I C 0.495 176.947 176.117 0.560 0.000 0.994 46 I CA -0.041 61.543 61.300 0.473 0.000 1.191 46 I CB 1.021 39.308 38.000 0.479 0.000 1.343 46 I HN 0.611 nan 8.210 nan 0.000 0.458 47 G N 4.165 113.281 108.800 0.527 0.000 2.533 47 G HA2 0.816 4.794 3.960 0.030 0.000 0.304 47 G HA3 0.816 4.794 3.960 0.030 0.000 0.304 47 G C -1.578 173.403 174.900 0.135 0.000 1.263 47 G CA -0.654 44.637 45.100 0.319 0.000 0.964 47 G HN 0.728 nan 8.290 nan 0.000 0.479 48 A N -0.226 122.414 122.820 -0.300 0.000 2.398 48 A HA 0.842 5.180 4.320 0.030 0.000 0.301 48 A C 0.173 177.553 177.584 -0.340 0.000 1.041 48 A CA -0.042 51.684 52.037 -0.517 0.000 0.711 48 A CB 1.338 19.556 19.000 -1.303 0.000 1.240 48 A HN 2.038 nan 8.150 nan 0.000 0.420 49 A N 2.308 124.905 122.820 -0.372 0.000 2.477 49 A HA 0.581 4.919 4.320 0.030 0.000 0.246 49 A C -0.273 177.005 177.584 -0.511 0.000 1.078 49 A CA 0.162 51.827 52.037 -0.620 0.000 0.770 49 A CB -0.188 17.906 19.000 -1.510 0.000 1.011 49 A HN 0.852 nan 8.150 nan 0.000 0.494 50 L N 3.255 124.251 121.223 -0.378 0.000 2.319 50 L HA 0.266 4.624 4.340 0.030 0.000 0.281 50 L C 0.152 176.871 176.870 -0.252 0.000 1.005 50 L CA -0.956 53.711 54.840 -0.288 0.000 0.828 50 L CB 1.415 43.350 42.059 -0.208 0.000 1.227 50 L HN 0.986 nan 8.230 nan 0.000 0.415 51 N N 2.265 120.825 118.700 -0.233 0.000 2.288 51 N HA 0.120 4.878 4.740 0.030 0.000 0.237 51 N C 0.822 176.265 175.510 -0.112 0.000 1.311 51 N CA 0.150 53.106 53.050 -0.157 0.000 0.909 51 N CB 0.712 39.132 38.487 -0.112 0.000 1.167 51 N HN 0.592 nan 8.380 nan 0.000 0.476 52 A N -1.151 121.631 122.820 -0.062 0.000 2.119 52 A HA -0.010 4.328 4.320 0.030 0.000 0.216 52 A C 1.792 179.355 177.584 -0.034 0.000 1.152 52 A CA 0.947 52.968 52.037 -0.027 0.000 0.708 52 A CB -1.011 17.993 19.000 0.007 0.000 0.805 52 A HN 0.776 nan 8.150 nan 0.000 0.460 53 T N 0.160 114.685 114.554 -0.049 0.000 2.896 53 T HA 0.027 4.395 4.350 0.030 0.000 0.263 53 T C 1.737 176.389 174.700 -0.080 0.000 1.050 53 T CA 1.227 63.302 62.100 -0.042 0.000 1.140 53 T CB -0.270 68.578 68.868 -0.034 0.000 0.877 53 T HN 0.436 nan 8.240 nan 0.000 0.457 54 I N 1.448 121.934 120.570 -0.140 0.000 2.353 54 I HA -0.076 4.112 4.170 0.030 0.000 0.248 54 I C 2.879 178.754 176.117 -0.403 0.000 1.119 54 I CA 0.830 61.989 61.300 -0.235 0.000 1.417 54 I CB -0.415 37.420 38.000 -0.275 0.000 1.078 54 I HN 0.164 nan 8.210 nan 0.000 0.421 55 A N 0.851 123.463 122.820 -0.347 0.000 2.070 55 A HA -0.205 4.133 4.320 0.030 0.000 0.220 55 A C 2.447 179.961 177.584 -0.116 0.000 1.159 55 A CA 1.887 53.705 52.037 -0.366 0.000 0.656 55 A CB -0.731 18.244 19.000 -0.042 0.000 0.800 55 A HN 0.543 nan 8.150 nan 0.000 0.453 56 S N -1.721 113.958 115.700 -0.034 0.000 2.442 56 S HA 0.230 4.718 4.470 0.030 0.000 0.236 56 S C 1.699 176.386 174.600 0.144 0.000 1.007 56 S CA 1.406 59.645 58.200 0.064 0.000 0.965 56 S CB -0.546 62.679 63.200 0.043 0.000 0.773 56 S HN 1.927 nan 8.310 nan 0.000 0.504 57 G N 0.712 109.632 108.800 0.200 0.000 2.241 57 G HA2 -0.244 3.734 3.960 0.030 0.000 0.244 57 G HA3 -0.244 3.734 3.960 0.030 0.000 0.244 57 G C 0.992 175.998 174.900 0.176 0.000 0.998 57 G CA 0.200 45.493 45.100 0.322 0.000 0.621 57 G HN 1.390 nan 8.290 nan 0.000 0.519 58 A N -0.261 122.621 122.820 0.103 0.000 2.209 58 A HA 0.311 4.649 4.320 0.030 0.000 0.212 58 A C 1.046 178.660 177.584 0.050 0.000 1.158 58 A CA 1.493 53.570 52.037 0.066 0.000 0.742 58 A CB -0.007 19.020 19.000 0.046 0.000 0.790 58 A HN 0.400 nan 8.150 nan 0.000 0.472 59 D N 0.036 120.466 120.400 0.049 0.000 2.485 59 D HA 0.234 4.892 4.640 0.030 0.000 0.221 59 D C 1.098 177.425 176.300 0.044 0.000 1.112 59 D CA -0.093 53.925 54.000 0.029 0.000 0.911 59 D CB 0.919 41.720 40.800 0.001 0.000 1.019 59 D HN 0.480 nan 8.370 nan 0.000 0.516 60 E N 3.631 123.855 120.200 0.040 0.000 2.204 60 E HA -0.223 4.145 4.350 0.030 0.000 0.195 60 E C 1.751 178.364 176.600 0.022 0.000 0.990 60 E CA 1.073 57.499 56.400 0.043 0.000 0.821 60 E CB -0.047 29.673 29.700 0.033 0.000 0.750 60 E HN 0.352 nan 8.360 nan 0.000 0.477 61 R N 0.250 120.753 120.500 0.006 0.000 2.120 61 R HA -0.005 4.353 4.340 0.030 0.000 0.234 61 R C 2.084 178.361 176.300 -0.039 0.000 1.123 61 R CA 1.373 57.464 56.100 -0.016 0.000 0.975 61 R CB -0.225 30.066 30.300 -0.016 0.000 0.866 61 R HN 0.350 nan 8.270 nan 0.000 0.446 62 L N 0.595 121.801 121.223 -0.030 0.000 2.270 62 L HA -0.038 4.320 4.340 0.030 0.000 0.210 62 L C 1.456 178.326 176.870 0.001 0.000 1.104 62 L CA 0.432 55.243 54.840 -0.048 0.000 0.804 62 L CB -0.314 41.706 42.059 -0.066 0.000 0.937 62 L HN 0.262 nan 8.230 nan 0.000 0.450 63 N N -0.483 118.246 118.700 0.049 0.000 2.120 63 N HA -0.137 4.621 4.740 0.030 0.000 0.188 63 N C 1.787 177.287 175.510 -0.017 0.000 1.024 63 N CA 1.737 54.813 53.050 0.044 0.000 0.852 63 N CB -0.555 37.994 38.487 0.104 0.000 1.003 63 N HN 0.179 nan 8.380 nan 0.000 0.424 64 T N 2.097 116.646 114.554 -0.009 0.000 2.701 64 T HA 0.008 4.376 4.350 0.030 0.000 0.263 64 T C 2.043 176.711 174.700 -0.054 0.000 1.040 64 T CA 0.366 62.455 62.100 -0.019 0.000 1.147 64 T CB -0.401 68.460 68.868 -0.012 0.000 0.865 64 T HN 0.131 nan 8.240 nan 0.000 0.426 65 L N 0.533 121.698 121.223 -0.097 0.000 1.990 65 L HA -0.139 4.219 4.340 0.030 0.000 0.213 65 L C 2.318 179.109 176.870 -0.132 0.000 1.072 65 L CA 1.702 56.429 54.840 -0.189 0.000 0.755 65 L CB -0.348 41.518 42.059 -0.322 0.000 0.889 65 L HN 0.271 nan 8.230 nan 0.000 0.432 66 I N -0.176 120.395 120.570 0.002 0.000 2.286 66 I HA -0.263 3.925 4.170 0.030 0.000 0.248 66 I C 2.647 178.836 176.117 0.120 0.000 1.115 66 I CA 1.148 62.578 61.300 0.215 0.000 1.392 66 I CB -0.442 37.686 38.000 0.214 0.000 1.065 66 I HN 0.319 nan 8.210 nan 0.000 0.418 67 A N 0.350 123.172 122.820 0.002 0.000 2.014 67 A HA -0.199 4.139 4.320 0.030 0.000 0.218 67 A C 2.382 179.972 177.584 0.010 0.000 1.163 67 A CA 1.523 53.566 52.037 0.009 0.000 0.652 67 A CB -0.381 18.634 19.000 0.026 0.000 0.808 67 A HN 0.420 nan 8.150 nan 0.000 0.449 68 K N -0.856 119.523 120.400 -0.034 0.000 2.166 68 K HA -0.025 4.313 4.320 0.030 0.000 0.201 68 K C 1.247 177.800 176.600 -0.078 0.000 1.052 68 K CA 1.116 57.377 56.287 -0.043 0.000 0.969 68 K CB 0.039 32.508 32.500 -0.053 0.000 0.761 68 K HN 0.303 nan 8.250 nan 0.000 0.459 69 E N -0.414 119.656 120.200 -0.218 0.000 2.340 69 E HA 0.111 4.479 4.350 0.030 0.000 0.198 69 E C -0.246 176.024 176.600 -0.550 0.000 0.961 69 E CA 0.348 56.467 56.400 -0.468 0.000 0.905 69 E CB 0.409 29.566 29.700 -0.906 0.000 0.884 69 E HN 0.110 nan 8.360 nan 0.000 0.491 70 F N 1.228 121.239 119.950 0.102 0.000 2.577 70 F HA 0.285 4.828 4.527 0.025 0.000 0.318 70 F C 0.796 176.663 175.800 0.111 0.000 1.065 70 F CA -1.123 56.956 58.000 0.132 0.000 0.929 70 F CB 1.038 40.108 39.000 0.116 0.000 1.237 70 F HN -0.205 nan 8.300 nan 0.000 0.468 71 N N -0.908 117.990 118.700 0.331 0.000 2.143 71 N HA 0.197 4.955 4.740 0.030 0.000 0.229 71 N C -0.740 174.915 175.510 0.242 0.000 1.294 71 N CA -0.136 53.050 53.050 0.228 0.000 0.883 71 N CB 1.174 39.761 38.487 0.167 0.000 1.148 71 N HN 0.330 nan 8.380 nan 0.000 0.511 72 S N 0.509 116.377 115.700 0.281 0.000 2.540 72 S HA 0.796 5.284 4.470 0.030 0.000 0.275 72 S C -1.337 173.373 174.600 0.185 0.000 1.123 72 S CA -0.864 57.513 58.200 0.294 0.000 0.907 72 S CB 0.639 64.058 63.200 0.366 0.000 1.081 72 S HN 0.309 nan 8.310 nan 0.000 0.476 73 I N 0.683 121.330 120.570 0.127 0.000 2.769 73 I HA 0.766 4.954 4.170 0.030 0.000 0.298 73 I C -1.055 175.197 176.117 0.225 0.000 1.128 73 I CA -0.649 60.708 61.300 0.094 0.000 1.031 73 I CB 2.468 40.475 38.000 0.011 0.000 1.235 73 I HN 0.436 nan 8.210 nan 0.000 0.423 74 T N 4.105 118.741 114.554 0.136 0.000 2.881 74 T HA 0.494 4.862 4.350 0.030 0.000 0.290 74 T C -2.873 171.609 174.700 -0.364 0.000 1.000 74 T CA -1.277 60.779 62.100 -0.072 0.000 0.978 74 T CB 1.868 70.668 68.868 -0.113 0.000 0.997 74 T HN 0.493 nan 8.240 nan 0.000 0.443 75 P HA 0.183 nan 4.420 nan 0.000 0.276 75 P C 0.562 177.625 177.300 -0.394 0.000 1.253 75 P CA -0.073 62.481 63.100 -0.910 0.000 0.766 75 P CB 1.150 32.158 31.700 -1.153 0.000 0.845 76 E N 3.770 123.733 120.200 -0.396 0.000 2.106 76 E HA -0.179 4.189 4.350 0.030 0.000 0.192 76 E C 0.585 177.205 176.600 0.033 0.000 0.984 76 E CA 1.135 57.296 56.400 -0.398 0.000 0.806 76 E CB 0.199 29.567 29.700 -0.554 0.000 0.750 76 E HN 0.352 nan 8.360 nan 0.000 0.458 77 N N -1.254 117.448 118.700 0.004 0.000 2.104 77 N HA -0.006 4.752 4.740 0.030 0.000 0.227 77 N C 1.473 177.027 175.510 0.073 0.000 1.321 77 N CA 0.682 53.789 53.050 0.095 0.000 0.877 77 N CB 0.439 38.970 38.487 0.073 0.000 1.117 77 N HN 0.303 nan 8.380 nan 0.000 0.486 78 C N 0.042 119.344 119.300 0.003 0.000 2.495 78 C HA 0.328 4.806 4.460 0.030 0.000 0.275 78 C C 1.861 176.903 174.990 0.087 0.000 1.392 78 C CA -0.057 58.980 59.018 0.033 0.000 1.766 78 C CB -0.982 26.769 27.740 0.019 0.000 1.933 78 C HN 0.166 nan 8.230 nan 0.000 0.519 79 M N 0.804 120.459 119.600 0.092 0.000 2.383 79 M HA 0.192 4.690 4.480 0.030 0.000 0.247 79 M C 0.044 176.495 176.300 0.251 0.000 1.117 79 M CA 0.184 55.612 55.300 0.213 0.000 0.995 79 M CB -0.071 32.675 32.600 0.245 0.000 1.480 79 M HN 0.284 nan 8.290 nan 0.000 0.485 80 K N 1.027 121.548 120.400 0.202 0.000 2.412 80 K HA -0.085 4.253 4.320 0.030 0.000 0.281 80 K C 0.564 177.326 176.600 0.270 0.000 1.027 80 K CA -0.365 56.076 56.287 0.257 0.000 0.989 80 K CB 0.803 33.460 32.500 0.262 0.000 0.935 80 K HN 0.210 nan 8.250 nan 0.000 0.475 81 W N 3.471 124.848 121.300 0.128 0.000 2.288 81 W HA -0.288 4.391 4.660 0.032 0.000 0.346 81 W C 1.612 178.073 176.519 -0.097 0.000 1.402 81 W CA 2.779 60.107 57.345 -0.028 0.000 1.311 81 W CB -0.923 28.418 29.460 -0.198 0.000 1.100 81 W HN 0.814 nan 8.180 nan 0.000 0.468 82 G N -0.831 108.073 108.800 0.172 0.000 2.598 82 G HA2 -0.020 3.958 3.960 0.030 0.000 0.215 82 G HA3 -0.020 3.958 3.960 0.030 0.000 0.215 82 G C 1.390 176.258 174.900 -0.053 0.000 1.131 82 G CA 1.076 46.062 45.100 -0.191 0.000 0.785 82 G HN 0.263 nan 8.290 nan 0.000 0.539 83 V N 0.220 120.151 119.914 0.029 0.000 2.500 83 V HA 0.046 4.184 4.120 0.030 0.000 0.243 83 V C 2.423 178.537 176.094 0.033 0.000 1.039 83 V CA 0.848 63.173 62.300 0.042 0.000 1.053 83 V CB -0.170 31.688 31.823 0.058 0.000 0.695 83 V HN 0.325 nan 8.190 nan 0.000 0.463 84 L N 0.196 121.428 121.223 0.014 0.000 2.217 84 L HA 0.106 4.464 4.340 0.030 0.000 0.211 84 L C 1.120 177.852 176.870 -0.229 0.000 1.107 84 L CA 1.528 56.311 54.840 -0.096 0.000 0.783 84 L CB -0.343 41.662 42.059 -0.090 0.000 0.919 84 L HN 0.245 nan 8.230 nan 0.000 0.442 85 R N 0.147 120.552 120.500 -0.159 0.000 2.686 85 R HA 0.346 4.704 4.340 0.030 0.000 0.286 85 R C -0.815 175.496 176.300 0.019 0.000 0.969 85 R CA -0.704 55.252 56.100 -0.241 0.000 0.898 85 R CB 1.337 31.353 30.300 -0.474 0.000 1.183 85 R HN 0.118 nan 8.270 nan 0.000 0.456 86 D N 1.154 121.473 120.400 -0.135 0.000 2.433 86 D HA 0.130 4.788 4.640 0.030 0.000 0.255 86 D C 0.693 176.655 176.300 -0.563 0.000 1.226 86 D CA -0.619 53.244 54.000 -0.228 0.000 1.015 86 D CB 0.577 41.289 40.800 -0.145 0.000 1.091 86 D HN 0.467 nan 8.370 nan 0.000 0.527 87 A N -0.827 121.541 122.820 -0.753 0.000 2.248 87 A HA -0.123 4.215 4.320 0.030 0.000 0.210 87 A C 1.569 178.945 177.584 -0.346 0.000 1.174 87 A CA 0.894 52.481 52.037 -0.750 0.000 0.750 87 A CB -0.657 18.072 19.000 -0.452 0.000 0.780 87 A HN 0.568 nan 8.150 nan 0.000 0.478 88 Q N -1.811 117.841 119.800 -0.247 0.000 2.194 88 Q HA 0.298 4.656 4.340 0.030 0.000 0.214 88 Q C 0.910 176.849 176.000 -0.103 0.000 0.838 88 Q CA 0.245 55.965 55.803 -0.138 0.000 0.972 88 Q CB 0.541 29.222 28.738 -0.095 0.000 1.131 88 Q HN 0.792 nan 8.270 nan 0.000 0.498 89 G N 1.395 110.110 108.800 -0.142 0.000 2.148 89 G HA2 -0.298 3.680 3.960 0.030 0.000 0.254 89 G HA3 -0.298 3.680 3.960 0.030 0.000 0.254 89 G C -0.098 174.654 174.900 -0.247 0.000 0.981 89 G CA 0.029 45.042 45.100 -0.146 0.000 0.670 89 G HN 0.339 nan 8.290 nan 0.000 0.528 90 Q N -1.126 118.559 119.800 -0.191 0.000 2.235 90 Q HA 0.525 4.883 4.340 0.030 0.000 0.250 90 Q C -0.452 175.420 176.000 -0.213 0.000 0.909 90 Q CA -0.630 55.121 55.803 -0.086 0.000 0.910 90 Q CB 0.954 29.688 28.738 -0.008 0.000 1.223 90 Q HN 0.395 nan 8.270 nan 0.000 0.432 91 W N 1.855 123.065 121.300 -0.150 0.000 2.390 91 W HA 0.326 5.004 4.660 0.030 0.000 0.312 91 W C 0.207 176.524 176.519 -0.337 0.000 1.123 91 W CA -0.439 56.684 57.345 -0.371 0.000 1.202 91 W CB 0.682 29.843 29.460 -0.499 0.000 1.251 91 W HN 0.443 nan 8.180 nan 0.000 0.511 92 N N 2.164 120.753 118.700 -0.184 0.000 2.372 92 N HA 0.229 4.987 4.740 0.030 0.000 0.285 92 N C -0.790 174.658 175.510 -0.102 0.000 1.008 92 N CA -0.900 52.108 53.050 -0.069 0.000 0.880 92 N CB 0.902 39.388 38.487 -0.001 0.000 1.239 92 N HN 0.565 nan 8.380 nan 0.000 0.484 93 W N 2.737 124.140 121.300 0.171 0.000 3.127 93 W HA 0.321 5.001 4.660 0.033 0.000 0.344 93 W C 1.908 178.527 176.519 0.167 0.000 1.151 93 W CA -0.507 56.949 57.345 0.185 0.000 1.765 93 W CB 0.523 30.071 29.460 0.147 0.000 1.085 93 W HN 0.576 nan 8.180 nan 0.000 0.596 94 K N 1.058 121.644 120.400 0.310 0.000 2.000 94 K HA -0.249 4.089 4.320 0.030 0.000 0.218 94 K C 1.360 178.092 176.600 0.221 0.000 1.053 94 K CA 2.474 58.897 56.287 0.227 0.000 0.946 94 K CB -0.220 32.372 32.500 0.154 0.000 0.723 94 K HN -0.027 nan 8.250 nan 0.000 0.446 95 D N -0.019 120.496 120.400 0.193 0.000 2.117 95 D HA -0.111 4.547 4.640 0.030 0.000 0.198 95 D C 1.906 178.343 176.300 0.228 0.000 0.982 95 D CA 1.308 55.411 54.000 0.172 0.000 0.828 95 D CB -0.379 40.491 40.800 0.117 0.000 0.967 95 D HN 0.418 nan 8.370 nan 0.000 0.464 96 A N 1.565 124.565 122.820 0.300 0.000 1.873 96 A HA -0.236 4.102 4.320 0.030 0.000 0.218 96 A C 1.890 179.715 177.584 0.403 0.000 1.193 96 A CA 2.061 54.340 52.037 0.403 0.000 0.629 96 A CB -0.573 18.845 19.000 0.696 0.000 0.826 96 A HN 0.039 nan 8.150 nan 0.000 0.447 97 D N -0.255 120.415 120.400 0.450 0.000 2.117 97 D HA -0.020 4.638 4.640 0.030 0.000 0.197 97 D C 2.265 178.689 176.300 0.207 0.000 0.987 97 D CA 1.526 55.719 54.000 0.321 0.000 0.829 97 D CB -0.485 40.490 40.800 0.292 0.000 0.961 97 D HN 0.424 nan 8.370 nan 0.000 0.460 98 A N 0.398 123.342 122.820 0.206 0.000 1.883 98 A HA -0.192 4.146 4.320 0.030 0.000 0.217 98 A C 2.151 179.837 177.584 0.170 0.000 1.186 98 A CA 1.249 53.386 52.037 0.166 0.000 0.624 98 A CB -1.109 17.980 19.000 0.148 0.000 0.822 98 A HN 0.291 nan 8.150 nan 0.000 0.444 99 F N 1.058 121.028 119.950 0.033 0.000 2.095 99 F HA -0.201 4.343 4.527 0.029 0.000 0.298 99 F C 2.170 177.969 175.800 -0.003 0.000 1.104 99 F CA 2.222 60.213 58.000 -0.015 0.000 1.232 99 F CB -0.374 38.578 39.000 -0.080 0.000 0.987 99 F HN 0.033 nan 8.300 nan 0.000 0.475 100 V N 0.803 120.704 119.914 -0.022 0.000 2.407 100 V HA -0.308 3.830 4.120 0.030 0.000 0.248 100 V C 2.782 178.815 176.094 -0.101 0.000 1.055 100 V CA 1.687 63.889 62.300 -0.164 0.000 1.049 100 V CB -1.834 29.827 31.823 -0.269 0.000 0.662 100 V HN 0.523 nan 8.190 nan 0.000 0.455 101 A N -0.321 122.490 122.820 -0.014 0.000 1.908 101 A HA -0.242 4.096 4.320 0.030 0.000 0.218 101 A C 2.119 179.705 177.584 0.003 0.000 1.181 101 A CA 2.040 54.078 52.037 0.002 0.000 0.627 101 A CB -0.726 18.302 19.000 0.047 0.000 0.818 101 A HN 0.501 nan 8.150 nan 0.000 0.445 102 F N 0.886 120.764 119.950 -0.121 0.000 2.075 102 F HA -0.059 4.485 4.527 0.028 0.000 0.297 102 F C 2.378 178.134 175.800 -0.073 0.000 1.113 102 F CA 1.864 59.822 58.000 -0.071 0.000 1.218 102 F CB -0.576 38.330 39.000 -0.157 0.000 0.984 102 F HN 0.220 nan 8.300 nan 0.000 0.472 103 G N -1.613 107.142 108.800 -0.074 0.000 2.448 103 G HA2 -0.151 3.827 3.960 0.030 0.000 0.218 103 G HA3 -0.151 3.827 3.960 0.030 0.000 0.218 103 G C 1.577 176.411 174.900 -0.110 0.000 1.135 103 G CA 1.145 46.175 45.100 -0.116 0.000 0.784 103 G HN 0.380 nan 8.290 nan 0.000 0.543 104 T N 0.428 114.910 114.554 -0.121 0.000 2.737 104 T HA -0.052 4.316 4.350 0.030 0.000 0.265 104 T C 2.211 176.821 174.700 -0.151 0.000 1.038 104 T CA 1.303 63.339 62.100 -0.108 0.000 1.144 104 T CB -0.123 68.694 68.868 -0.085 0.000 0.866 104 T HN 0.284 nan 8.240 nan 0.000 0.434 105 K N 0.411 120.679 120.400 -0.221 0.000 2.020 105 K HA -0.180 4.158 4.320 0.030 0.000 0.212 105 K C 1.730 178.020 176.600 -0.518 0.000 1.050 105 K CA 1.542 57.593 56.287 -0.392 0.000 0.929 105 K CB -0.126 32.073 32.500 -0.501 0.000 0.714 105 K HN 0.531 nan 8.250 nan 0.000 0.443 106 H N -1.007 117.874 119.070 -0.316 0.000 2.549 106 H HA 0.040 4.612 4.556 0.027 0.000 0.279 106 H C 0.082 175.327 175.328 -0.140 0.000 1.018 106 H CA 0.168 56.064 56.048 -0.254 0.000 1.175 106 H CB 0.234 29.782 29.762 -0.356 0.000 1.485 106 H HN 0.314 nan 8.280 nan 0.000 0.543 107 N N 1.027 119.700 118.700 -0.045 0.000 2.738 107 N HA -0.175 4.583 4.740 0.030 0.000 0.249 107 N C -1.214 174.312 175.510 0.028 0.000 1.047 107 N CA 0.138 53.177 53.050 -0.018 0.000 0.707 107 N CB -1.695 36.781 38.487 -0.020 0.000 0.937 107 N HN 0.307 nan 8.380 nan 0.000 0.545 108 L N 0.762 122.004 121.223 0.030 0.000 2.334 108 L HA 0.352 4.710 4.340 0.030 0.000 0.275 108 L C 1.192 178.105 176.870 0.071 0.000 1.036 108 L CA -1.031 53.854 54.840 0.076 0.000 0.807 108 L CB 1.218 43.327 42.059 0.083 0.000 1.231 108 L HN 0.305 nan 8.230 nan 0.000 0.438 109 H N 3.924 123.014 119.070 0.032 0.000 2.928 109 H HA 0.174 4.733 4.556 0.006 0.000 0.338 109 H C -1.187 174.151 175.328 0.017 0.000 1.047 109 H CA 0.373 56.435 56.048 0.025 0.000 1.435 109 H CB 0.810 30.599 29.762 0.046 0.000 1.428 109 H HN 0.505 nan 8.280 nan 0.000 0.590 110 M N 5.796 125.102 119.600 -0.491 0.000 2.197 110 M HA 0.204 4.702 4.480 0.030 0.000 0.301 110 M C -1.032 175.000 176.300 -0.446 0.000 0.987 110 M CA -0.979 54.135 55.300 -0.309 0.000 0.921 110 M CB 2.162 34.655 32.600 -0.178 0.000 1.569 110 M HN 0.246 nan 8.290 nan 0.000 0.431 111 V N 2.681 122.421 119.914 -0.291 0.000 2.370 111 V HA 0.519 4.657 4.120 0.030 0.000 0.279 111 V C 0.678 176.505 176.094 -0.445 0.000 1.029 111 V CA -0.822 61.287 62.300 -0.318 0.000 0.870 111 V CB 1.180 32.919 31.823 -0.141 0.000 0.984 111 V HN 0.979 nan 8.190 nan 0.000 0.451 112 G N 2.440 110.710 108.800 -0.883 0.000 2.380 112 G HA2 0.417 4.395 3.960 0.030 0.000 0.262 112 G HA3 0.417 4.395 3.960 0.030 0.000 0.262 112 G C -0.702 173.859 174.900 -0.565 0.000 1.243 112 G CA 0.015 44.263 45.100 -1.419 0.000 0.865 112 G HN 0.936 nan 8.290 nan 0.000 0.513 113 H N 0.052 118.939 119.070 -0.305 0.000 2.924 113 H HA 0.620 5.193 4.556 0.028 0.000 0.333 113 H C -0.772 174.641 175.328 0.142 0.000 0.979 113 H CA -0.362 55.667 56.048 -0.033 0.000 1.326 113 H CB 2.081 31.785 29.762 -0.097 0.000 1.600 113 H HN 0.609 nan 8.280 nan 0.000 0.520 114 T N 4.959 119.476 114.554 -0.062 0.000 2.923 114 T HA 0.245 4.613 4.350 0.030 0.000 0.311 114 T C 0.861 175.685 174.700 0.208 0.000 1.183 114 T CA -0.695 61.426 62.100 0.035 0.000 1.020 114 T CB 1.055 69.671 68.868 -0.420 0.000 1.165 114 T HN 0.596 nan 8.240 nan 0.000 0.482 115 L N 2.931 124.230 121.223 0.126 0.000 2.056 115 L HA 0.241 4.599 4.340 0.030 0.000 0.207 115 L C 0.398 177.392 176.870 0.206 0.000 1.078 115 L CA 0.762 55.629 54.840 0.044 0.000 0.749 115 L CB 0.019 41.900 42.059 -0.297 0.000 0.901 115 L HN 0.367 nan 8.230 nan 0.000 0.433 116 V N -1.058 118.916 119.914 0.100 0.000 2.509 116 V HA 0.329 4.467 4.120 0.030 0.000 0.289 116 V C -1.494 174.709 176.094 0.181 0.000 1.026 116 V CA -0.543 61.754 62.300 -0.005 0.000 0.872 116 V CB 2.010 33.640 31.823 -0.322 0.000 1.017 116 V HN 0.251 nan 8.190 nan 0.000 0.436 117 W N 5.311 126.685 121.300 0.123 0.000 3.137 117 W HA 0.501 5.181 4.660 0.034 0.000 0.324 117 W C 0.716 177.490 176.519 0.425 0.000 1.253 117 W CA -0.839 56.632 57.345 0.209 0.000 1.183 117 W CB 1.355 30.849 29.460 0.057 0.000 1.424 117 W HN 0.729 nan 8.180 nan 0.000 0.566 118 H N 0.532 119.671 119.070 0.116 0.000 2.539 118 H HA 0.366 4.940 4.556 0.030 0.000 0.267 118 H C -0.367 174.657 175.328 -0.506 0.000 0.982 118 H CA 0.377 56.355 56.048 -0.116 0.000 1.146 118 H CB 0.180 29.856 29.762 -0.143 0.000 1.382 118 H HN 0.056 nan 8.280 nan 0.000 0.577 119 S N 0.505 115.194 115.700 -1.686 0.000 2.681 119 S HA 0.186 4.674 4.470 0.030 0.000 0.299 119 S C 0.079 174.093 174.600 -0.976 0.000 1.113 119 S CA -0.728 56.541 58.200 -1.552 0.000 1.013 119 S CB 1.834 63.629 63.200 -2.342 0.000 1.076 119 S HN 0.443 nan 8.310 nan 0.000 0.534 120 Q N -0.129 119.302 119.800 -0.615 0.000 2.435 120 Q HA -0.217 4.141 4.340 0.030 0.000 0.286 120 Q C -0.688 175.145 176.000 -0.278 0.000 1.229 120 Q CA 0.673 56.271 55.803 -0.341 0.000 0.884 120 Q CB -1.362 27.275 28.738 -0.168 0.000 1.245 120 Q HN 0.574 nan 8.270 nan 0.000 0.488 121 I N -0.273 120.095 120.570 -0.336 0.000 2.582 121 I HA 0.274 4.462 4.170 0.030 0.000 0.292 121 I C -0.023 175.878 176.117 -0.361 0.000 1.066 121 I CA -1.024 60.068 61.300 -0.346 0.000 1.053 121 I CB 1.145 38.999 38.000 -0.245 0.000 1.241 121 I HN 0.069 nan 8.210 nan 0.000 0.421 122 H N 5.737 124.644 119.070 -0.272 0.000 2.652 122 H HA 0.090 4.664 4.556 0.030 0.000 0.349 122 H C -0.175 175.021 175.328 -0.219 0.000 1.099 122 H CA -0.204 55.722 56.048 -0.203 0.000 1.417 122 H CB 1.186 30.834 29.762 -0.190 0.000 1.457 122 H HN 0.624 nan 8.280 nan 0.000 0.568 123 D N 2.261 122.675 120.400 0.024 0.000 2.264 123 D HA -0.107 4.552 4.640 0.030 0.000 0.208 123 D C 1.463 177.718 176.300 -0.075 0.000 0.966 123 D CA 0.904 54.928 54.000 0.040 0.000 0.864 123 D CB 0.096 40.913 40.800 0.027 0.000 0.933 123 D HN 0.621 nan 8.370 nan 0.000 0.499 124 E N -0.293 119.839 120.200 -0.114 0.000 2.331 124 E HA -0.107 4.261 4.350 0.030 0.000 0.199 124 E C 2.054 178.476 176.600 -0.297 0.000 1.008 124 E CA 0.180 56.481 56.400 -0.166 0.000 0.843 124 E CB 0.025 29.636 29.700 -0.147 0.000 0.761 124 E HN 0.127 nan 8.360 nan 0.000 0.507 125 V N -0.105 119.485 119.914 -0.539 0.000 2.490 125 V HA -0.227 3.911 4.120 0.030 0.000 0.250 125 V C 1.303 176.784 176.094 -1.021 0.000 1.061 125 V CA 1.627 63.341 62.300 -0.976 0.000 1.064 125 V CB -0.341 30.391 31.823 -1.818 0.000 0.670 125 V HN 0.256 nan 8.190 nan 0.000 0.461 126 F N -0.543 119.169 119.950 -0.396 0.000 2.592 126 F HA 0.344 4.888 4.527 0.029 0.000 0.280 126 F C 1.036 176.722 175.800 -0.190 0.000 1.083 126 F CA -0.251 57.507 58.000 -0.403 0.000 1.365 126 F CB 0.172 38.857 39.000 -0.526 0.000 1.100 126 F HN -0.028 nan 8.300 nan 0.000 0.633 127 K N 0.960 121.354 120.400 -0.010 0.000 2.324 127 K HA 0.276 4.614 4.320 0.030 0.000 0.253 127 K C -0.541 176.029 176.600 -0.050 0.000 0.932 127 K CA -0.873 55.416 56.287 0.002 0.000 0.799 127 K CB 1.279 33.746 32.500 -0.054 0.000 1.154 127 K HN -0.156 nan 8.250 nan 0.000 0.425 128 N N 0.955 119.632 118.700 -0.038 0.000 2.273 128 N HA -0.103 4.655 4.740 0.030 0.000 0.227 128 N C 1.003 176.479 175.510 -0.057 0.000 1.292 128 N CA 0.290 53.311 53.050 -0.048 0.000 0.875 128 N CB 0.501 38.965 38.487 -0.038 0.000 1.105 128 N HN 0.776 nan 8.380 nan 0.000 0.434 129 A N 0.649 123.437 122.820 -0.052 0.000 2.070 129 A HA -0.198 4.140 4.320 0.030 0.000 0.220 129 A C 1.284 178.836 177.584 -0.053 0.000 1.159 129 A CA 1.756 53.762 52.037 -0.051 0.000 0.656 129 A CB -0.360 18.613 19.000 -0.044 0.000 0.800 129 A HN 0.780 nan 8.150 nan 0.000 0.453 130 D N -2.834 117.533 120.400 -0.055 0.000 2.349 130 D HA 0.284 4.942 4.640 0.030 0.000 0.215 130 D C 1.234 177.487 176.300 -0.079 0.000 1.016 130 D CA 1.105 55.071 54.000 -0.058 0.000 0.870 130 D CB -0.310 40.460 40.800 -0.050 0.000 0.917 130 D HN 0.698 nan 8.370 nan 0.000 0.524 131 G N 0.022 108.765 108.800 -0.095 0.000 2.254 131 G HA2 -0.270 3.708 3.960 0.030 0.000 0.225 131 G HA3 -0.270 3.708 3.960 0.030 0.000 0.225 131 G C 0.495 175.277 174.900 -0.196 0.000 1.003 131 G CA 0.217 45.232 45.100 -0.142 0.000 0.622 131 G HN 0.787 nan 8.290 nan 0.000 0.507 132 S N 0.323 115.938 115.700 -0.142 0.000 2.584 132 S HA 0.582 5.070 4.470 0.030 0.000 0.270 132 S C -0.057 174.504 174.600 -0.065 0.000 1.346 132 S CA -0.316 57.798 58.200 -0.143 0.000 1.018 132 S CB 1.069 64.226 63.200 -0.072 0.000 0.899 132 S HN 0.410 nan 8.310 nan 0.000 0.542 133 Y N 1.094 121.341 120.300 -0.089 0.000 2.308 133 Y HA 0.429 4.998 4.550 0.031 0.000 0.329 133 Y C 0.834 176.694 175.900 -0.066 0.000 1.111 133 Y CA -2.135 55.908 58.100 -0.094 0.000 1.179 133 Y CB 0.442 38.848 38.460 -0.089 0.000 1.201 133 Y HN 0.710 nan 8.280 nan 0.000 0.483 134 I N 0.287 120.915 120.570 0.096 0.000 2.938 134 I HA 0.302 4.490 4.170 0.030 0.000 0.285 134 I C 0.608 176.737 176.117 0.021 0.000 1.182 134 I CA -0.747 60.570 61.300 0.028 0.000 1.388 134 I CB 0.458 38.447 38.000 -0.017 0.000 1.390 134 I HN 0.593 nan 8.210 nan 0.000 0.600 135 S N 2.959 118.670 115.700 0.018 0.000 2.560 135 S HA -0.001 4.487 4.470 0.030 0.000 0.276 135 S C 0.899 175.507 174.600 0.014 0.000 1.350 135 S CA -0.117 58.094 58.200 0.019 0.000 1.024 135 S CB 0.743 63.956 63.200 0.022 0.000 0.864 135 S HN 0.892 nan 8.310 nan 0.000 0.536 136 K N 1.164 121.576 120.400 0.021 0.000 2.057 136 K HA -0.119 4.219 4.320 0.030 0.000 0.207 136 K C 2.415 179.056 176.600 0.069 0.000 1.049 136 K CA 1.217 57.529 56.287 0.043 0.000 0.931 136 K CB -0.895 31.630 32.500 0.041 0.000 0.714 136 K HN 0.790 nan 8.250 nan 0.000 0.440 137 A N 1.067 123.921 122.820 0.056 0.000 1.917 137 A HA -0.216 4.122 4.320 0.030 0.000 0.219 137 A C 2.274 179.898 177.584 0.068 0.000 1.182 137 A CA 2.249 54.323 52.037 0.062 0.000 0.633 137 A CB -0.776 18.251 19.000 0.045 0.000 0.819 137 A HN 0.492 nan 8.150 nan 0.000 0.448 138 A N -1.247 121.604 122.820 0.052 0.000 1.970 138 A HA 0.154 4.492 4.320 0.030 0.000 0.216 138 A C 2.074 179.694 177.584 0.059 0.000 1.170 138 A CA 1.480 53.545 52.037 0.047 0.000 0.645 138 A CB -0.426 18.586 19.000 0.021 0.000 0.816 138 A HN 0.649 nan 8.150 nan 0.000 0.447 139 L N -0.501 120.758 121.223 0.060 0.000 2.131 139 L HA -0.073 4.285 4.340 0.030 0.000 0.206 139 L C 2.392 179.391 176.870 0.214 0.000 1.087 139 L CA 2.389 57.278 54.840 0.083 0.000 0.767 139 L CB -0.673 41.415 42.059 0.048 0.000 0.917 139 L HN 0.464 nan 8.230 nan 0.000 0.441 140 Q N 0.455 120.374 119.800 0.197 0.000 2.045 140 Q HA -0.303 4.055 4.340 0.030 0.000 0.206 140 Q C 2.344 178.462 176.000 0.197 0.000 0.991 140 Q CA 2.484 58.413 55.803 0.212 0.000 0.851 140 Q CB -0.353 28.478 28.738 0.155 0.000 0.911 140 Q HN 0.517 nan 8.270 nan 0.000 0.418 141 K N -0.155 120.336 120.400 0.151 0.000 2.044 141 K HA -0.200 4.138 4.320 0.030 0.000 0.210 141 K C 1.969 178.679 176.600 0.183 0.000 1.049 141 K CA 1.837 58.206 56.287 0.138 0.000 0.927 141 K CB -0.071 32.490 32.500 0.101 0.000 0.713 141 K HN 0.169 nan 8.250 nan 0.000 0.443 142 K N 0.131 120.661 120.400 0.217 0.000 2.097 142 K HA -0.170 4.168 4.320 0.030 0.000 0.206 142 K C 2.194 179.081 176.600 0.479 0.000 1.049 142 K CA 1.638 58.119 56.287 0.323 0.000 0.933 142 K CB -0.147 32.528 32.500 0.291 0.000 0.717 142 K HN 0.313 nan 8.250 nan 0.000 0.442 143 M N 1.158 121.043 119.600 0.475 0.000 2.156 143 M HA -0.173 4.325 4.480 0.030 0.000 0.264 143 M C 1.649 178.111 176.300 0.271 0.000 1.067 143 M CA 1.624 57.219 55.300 0.492 0.000 1.131 143 M CB 0.073 32.935 32.600 0.435 0.000 1.368 143 M HN 0.073 nan 8.290 nan 0.000 0.416 144 E N 0.278 120.596 120.200 0.197 0.000 2.033 144 E HA -0.292 4.076 4.350 0.030 0.000 0.199 144 E C 1.920 178.575 176.600 0.091 0.000 1.011 144 E CA 2.036 58.503 56.400 0.112 0.000 0.815 144 E CB -0.261 29.497 29.700 0.097 0.000 0.755 144 E HN 0.561 nan 8.360 nan 0.000 0.451 145 E N -0.234 120.045 120.200 0.131 0.000 2.058 145 E HA -0.272 4.096 4.350 0.030 0.000 0.194 145 E C 2.120 178.800 176.600 0.133 0.000 0.997 145 E CA 1.415 57.890 56.400 0.125 0.000 0.801 145 E CB -0.075 29.730 29.700 0.175 0.000 0.746 145 E HN 0.282 nan 8.360 nan 0.000 0.450 146 H N 0.335 119.424 119.070 0.032 0.000 2.321 146 H HA -0.059 4.516 4.556 0.031 0.000 0.300 146 H C 2.056 177.345 175.328 -0.065 0.000 1.087 146 H CA 2.066 58.053 56.048 -0.101 0.000 1.319 146 H CB -0.102 29.164 29.762 -0.826 0.000 1.379 146 H HN 0.148 nan 8.280 nan 0.000 0.501 147 I N -0.550 119.977 120.570 -0.072 0.000 2.252 147 I HA -0.232 3.956 4.170 0.030 0.000 0.245 147 I C 2.156 178.148 176.117 -0.207 0.000 1.102 147 I CA 1.469 62.650 61.300 -0.198 0.000 1.385 147 I CB -0.458 37.447 38.000 -0.158 0.000 1.064 147 I HN 0.323 nan 8.210 nan 0.000 0.414 148 T N 0.346 114.823 114.554 -0.127 0.000 2.708 148 T HA -0.159 4.209 4.350 0.030 0.000 0.266 148 T C 1.919 176.506 174.700 -0.189 0.000 1.037 148 T CA 2.132 64.154 62.100 -0.130 0.000 1.146 148 T CB -0.380 68.441 68.868 -0.078 0.000 0.865 148 T HN 0.375 nan 8.240 nan 0.000 0.435 149 T N 2.356 116.773 114.554 -0.227 0.000 2.668 149 T HA 0.004 4.372 4.350 0.030 0.000 0.262 149 T C 1.890 176.392 174.700 -0.330 0.000 1.045 149 T CA 0.773 62.648 62.100 -0.375 0.000 1.152 149 T CB -0.541 67.931 68.868 -0.660 0.000 0.864 149 T HN 0.060 nan 8.240 nan 0.000 0.419 150 L N 1.663 122.748 121.223 -0.229 0.000 1.961 150 L HA 0.078 4.436 4.340 0.030 0.000 0.210 150 L C 2.708 179.525 176.870 -0.089 0.000 1.072 150 L CA 2.174 56.975 54.840 -0.064 0.000 0.749 150 L CB -1.350 40.647 42.059 -0.104 0.000 0.889 150 L HN 0.258 nan 8.230 nan 0.000 0.432 151 A N -0.704 121.968 122.820 -0.248 0.000 1.940 151 A HA -0.099 4.239 4.320 0.030 0.000 0.219 151 A C 2.320 179.887 177.584 -0.029 0.000 1.176 151 A CA 1.658 53.622 52.037 -0.122 0.000 0.631 151 A CB -1.605 17.165 19.000 -0.383 0.000 0.814 151 A HN 0.582 nan 8.150 nan 0.000 0.446 152 G N -0.469 108.244 108.800 -0.145 0.000 2.446 152 G HA2 -0.303 3.675 3.960 0.030 0.000 0.217 152 G HA3 -0.303 3.675 3.960 0.030 0.000 0.217 152 G C 1.730 176.510 174.900 -0.200 0.000 1.168 152 G CA 1.081 46.090 45.100 -0.152 0.000 0.771 152 G HN 0.579 nan 8.290 nan 0.000 0.551 153 R N -0.946 119.326 120.500 -0.381 0.000 2.127 153 R HA -0.089 4.269 4.340 0.030 0.000 0.238 153 R C 1.151 177.179 176.300 -0.455 0.000 1.134 153 R CA 1.207 56.935 56.100 -0.621 0.000 0.975 153 R CB -0.189 29.396 30.300 -1.191 0.000 0.865 153 R HN 0.464 nan 8.270 nan 0.000 0.447 154 Y N 0.305 120.596 120.300 -0.014 0.000 2.612 154 Y HA 0.259 4.825 4.550 0.027 0.000 0.250 154 Y C -0.047 175.898 175.900 0.076 0.000 1.175 154 Y CA -1.140 56.988 58.100 0.046 0.000 1.205 154 Y CB 0.129 38.670 38.460 0.136 0.000 1.201 154 Y HN -0.224 nan 8.280 nan 0.000 0.532 155 K N 1.618 122.116 120.400 0.163 0.000 2.397 155 K HA -0.100 4.238 4.320 0.030 0.000 0.263 155 K C 1.236 177.894 176.600 0.096 0.000 1.143 155 K CA 1.422 57.774 56.287 0.108 0.000 1.207 155 K CB -0.535 31.981 32.500 0.027 0.000 0.804 155 K HN 0.774 nan 8.250 nan 0.000 0.494 156 G N 3.868 112.729 108.800 0.102 0.000 2.179 156 G HA2 -0.333 3.645 3.960 0.030 0.000 0.260 156 G HA3 -0.333 3.645 3.960 0.030 0.000 0.260 156 G C 0.853 175.784 174.900 0.052 0.000 0.977 156 G CA 0.807 45.946 45.100 0.066 0.000 0.641 156 G HN 0.674 nan 8.290 nan 0.000 0.533 157 K N -1.222 119.221 120.400 0.072 0.000 2.262 157 K HA 0.379 4.717 4.320 0.030 0.000 0.200 157 K C 0.602 177.186 176.600 -0.027 0.000 1.058 157 K CA 0.027 56.331 56.287 0.028 0.000 0.974 157 K CB 0.413 32.944 32.500 0.051 0.000 0.910 157 K HN 0.223 nan 8.250 nan 0.000 0.484 158 L N 0.970 122.184 121.223 -0.016 0.000 2.305 158 L HA 0.169 4.527 4.340 0.030 0.000 0.281 158 L C 0.923 177.738 176.870 -0.093 0.000 1.085 158 L CA 0.163 54.922 54.840 -0.135 0.000 0.813 158 L CB 1.301 43.227 42.059 -0.222 0.000 1.157 158 L HN 0.123 nan 8.230 nan 0.000 0.436 159 A N 3.185 125.901 122.820 -0.174 0.000 2.072 159 A HA 0.633 4.971 4.320 0.030 0.000 0.216 159 A C 0.785 178.383 177.584 0.024 0.000 1.156 159 A CA 1.001 53.005 52.037 -0.056 0.000 0.701 159 A CB -0.071 18.911 19.000 -0.029 0.000 0.816 159 A HN 0.712 nan 8.150 nan 0.000 0.458 160 A N -2.361 120.395 122.820 -0.107 0.000 2.572 160 A HA 0.600 4.938 4.320 0.030 0.000 0.295 160 A C -1.900 175.550 177.584 -0.224 0.000 1.072 160 A CA -0.431 51.611 52.037 0.008 0.000 0.691 160 A CB 0.651 19.713 19.000 0.103 0.000 1.291 160 A HN 0.379 nan 8.150 nan 0.000 0.404 161 W N 0.909 122.214 121.300 0.008 0.000 2.781 161 W HA 0.402 5.081 4.660 0.031 0.000 0.333 161 W C -1.006 175.452 176.519 -0.103 0.000 1.047 161 W CA -0.214 57.103 57.345 -0.047 0.000 1.236 161 W CB 1.977 31.389 29.460 -0.079 0.000 1.394 161 W HN 0.618 nan 8.180 nan 0.000 0.466 162 D N 3.357 123.854 120.400 0.162 0.000 2.357 162 D HA 0.010 4.668 4.640 0.030 0.000 0.265 162 D C 1.113 177.429 176.300 0.026 0.000 1.334 162 D CA 0.393 54.424 54.000 0.051 0.000 0.984 162 D CB 1.037 41.847 40.800 0.017 0.000 1.077 162 D HN 0.115 nan 8.370 nan 0.000 0.514 163 V N 2.200 121.991 119.914 -0.205 0.000 2.283 163 V HA -0.101 4.037 4.120 0.030 0.000 0.243 163 V C 1.144 177.058 176.094 -0.299 0.000 1.039 163 V CA 0.889 62.913 62.300 -0.459 0.000 1.016 163 V CB 0.080 31.139 31.823 -1.275 0.000 0.650 163 V HN 0.263 nan 8.190 nan 0.000 0.449 164 V N 0.938 120.770 119.914 -0.137 0.000 2.513 164 V HA 0.485 4.623 4.120 0.030 0.000 0.299 164 V C -0.688 175.402 176.094 -0.007 0.000 1.035 164 V CA -0.637 61.711 62.300 0.079 0.000 0.889 164 V CB 1.686 33.648 31.823 0.232 0.000 0.988 164 V HN 0.487 nan 8.190 nan 0.000 0.440 165 N N 2.386 121.076 118.700 -0.017 0.000 2.354 165 N HA 0.372 5.130 4.740 0.030 0.000 0.287 165 N C -0.640 174.926 175.510 0.095 0.000 1.016 165 N CA -0.450 52.431 53.050 -0.282 0.000 0.871 165 N CB 1.123 39.150 38.487 -0.767 0.000 1.299 165 N HN 0.755 nan 8.380 nan 0.000 0.482 166 E N 1.416 121.611 120.200 -0.009 0.000 2.313 166 E HA -0.216 4.152 4.350 0.030 0.000 0.190 166 E C -0.467 176.349 176.600 0.360 0.000 1.406 166 E CA 0.606 57.151 56.400 0.241 0.000 0.668 166 E CB -1.410 28.606 29.700 0.527 0.000 1.135 166 E HN 0.597 nan 8.360 nan 0.000 0.375 167 A N 0.359 123.421 122.820 0.402 0.000 2.303 167 A HA 0.278 4.616 4.320 0.030 0.000 0.217 167 A C 0.665 178.323 177.584 0.124 0.000 1.205 167 A CA 0.106 52.360 52.037 0.363 0.000 0.875 167 A CB 0.889 20.146 19.000 0.428 0.000 0.910 167 A HN 0.136 nan 8.150 nan 0.000 0.501 168 V N 1.077 121.036 119.914 0.076 0.000 2.370 168 V HA 0.528 4.666 4.120 0.030 0.000 0.279 168 V C 1.090 177.140 176.094 -0.074 0.000 1.029 168 V CA -0.610 61.669 62.300 -0.035 0.000 0.870 168 V CB 0.695 32.502 31.823 -0.027 0.000 0.984 168 V HN 0.403 nan 8.190 nan 0.000 0.451 169 G N 2.781 111.526 108.800 -0.092 0.000 2.630 169 G HA2 0.046 4.024 3.960 0.030 0.000 0.236 169 G HA3 0.046 4.024 3.960 0.030 0.000 0.236 169 G C 0.492 175.361 174.900 -0.051 0.000 1.248 169 G CA -0.268 44.789 45.100 -0.071 0.000 0.844 169 G HN 0.823 nan 8.290 nan 0.000 0.588 170 D N 0.043 120.438 120.400 -0.008 0.000 2.363 170 D HA -0.093 4.565 4.640 0.030 0.000 0.220 170 D C 1.026 177.333 176.300 0.011 0.000 0.994 170 D CA 0.731 54.739 54.000 0.012 0.000 0.890 170 D CB 0.284 41.132 40.800 0.081 0.000 0.906 170 D HN 0.647 nan 8.370 nan 0.000 0.530 171 D N 0.846 121.247 120.400 0.002 0.000 2.325 171 D HA -0.050 4.608 4.640 0.030 0.000 0.225 171 D C 1.165 177.457 176.300 -0.013 0.000 1.096 171 D CA -0.147 53.855 54.000 0.002 0.000 0.844 171 D CB -0.046 40.757 40.800 0.004 0.000 0.925 171 D HN 0.187 nan 8.370 nan 0.000 0.513 172 L N -1.319 119.888 121.223 -0.025 0.000 4.001 172 L HA -0.268 4.090 4.340 0.030 0.000 0.413 172 L C 0.058 176.901 176.870 -0.045 0.000 1.185 172 L CA 0.891 55.710 54.840 -0.035 0.000 0.963 172 L CB -2.138 39.907 42.059 -0.024 0.000 1.976 172 L HN 0.114 nan 8.230 nan 0.000 0.939 173 K N -0.023 120.342 120.400 -0.057 0.000 2.258 173 K HA 0.646 4.984 4.320 0.030 0.000 0.236 173 K C 0.393 176.909 176.600 -0.141 0.000 1.008 173 K CA -1.276 54.964 56.287 -0.079 0.000 0.869 173 K CB 1.130 33.597 32.500 -0.056 0.000 1.171 173 K HN -0.130 nan 8.250 nan 0.000 0.447 174 M N 2.113 121.575 119.600 -0.231 0.000 2.290 174 M HA -0.013 4.485 4.480 0.030 0.000 0.356 174 M C 0.528 176.576 176.300 -0.420 0.000 1.448 174 M CA 0.596 55.632 55.300 -0.440 0.000 0.993 174 M CB -0.585 31.435 32.600 -0.967 0.000 1.934 174 M HN 0.508 nan 8.290 nan 0.000 0.461 175 R N 2.338 122.665 120.500 -0.287 0.000 2.538 175 R HA -0.067 4.291 4.340 0.030 0.000 0.282 175 R C -0.268 175.906 176.300 -0.210 0.000 1.009 175 R CA 0.077 56.050 56.100 -0.210 0.000 1.063 175 R CB 0.328 30.517 30.300 -0.185 0.000 0.945 175 R HN 0.489 nan 8.270 nan 0.000 0.414 176 D N 2.785 123.114 120.400 -0.117 0.000 2.934 176 D HA 0.017 4.675 4.640 0.030 0.000 0.237 176 D C 0.007 176.245 176.300 -0.103 0.000 1.158 176 D CA 0.173 54.170 54.000 -0.005 0.000 0.971 176 D CB -0.066 40.757 40.800 0.039 0.000 1.123 176 D HN 0.549 nan 8.370 nan 0.000 0.467 177 S N -0.358 115.235 115.700 -0.178 0.000 2.608 177 S HA 0.059 4.547 4.470 0.030 0.000 0.261 177 S C 1.491 175.864 174.600 -0.377 0.000 1.314 177 S CA -0.302 57.686 58.200 -0.353 0.000 0.992 177 S CB 0.894 63.924 63.200 -0.283 0.000 0.935 177 S HN 0.310 nan 8.310 nan 0.000 0.564 178 H N -0.173 118.545 119.070 -0.588 0.000 2.395 178 H HA -0.019 4.555 4.556 0.030 0.000 0.299 178 H C 1.713 176.508 175.328 -0.887 0.000 1.070 178 H CA 1.356 56.874 56.048 -0.884 0.000 1.356 178 H CB -0.655 28.240 29.762 -1.445 0.000 1.401 178 H HN 0.786 nan 8.280 nan 0.000 0.524 179 W N 0.567 121.396 121.300 -0.784 0.000 2.290 179 W HA -0.339 4.341 4.660 0.033 0.000 0.323 179 W C 2.530 178.665 176.519 -0.640 0.000 1.260 179 W CA 1.586 58.526 57.345 -0.675 0.000 1.266 179 W CB -0.773 28.028 29.460 -1.099 0.000 1.149 179 W HN 0.144 nan 8.180 nan 0.000 0.482 180 Y N 0.759 120.776 120.300 -0.471 0.000 2.220 180 Y HA -0.113 4.455 4.550 0.030 0.000 0.291 180 Y C 2.271 178.120 175.900 -0.086 0.000 1.129 180 Y CA 1.749 59.728 58.100 -0.201 0.000 1.161 180 Y CB -0.484 37.906 38.460 -0.117 0.000 0.997 180 Y HN -0.179 nan 8.280 nan 0.000 0.522 181 K N -0.094 120.191 120.400 -0.191 0.000 2.062 181 K HA -0.080 4.258 4.320 0.030 0.000 0.205 181 K C 1.940 178.399 176.600 -0.235 0.000 1.051 181 K CA 1.771 57.956 56.287 -0.171 0.000 0.941 181 K CB -0.185 32.306 32.500 -0.015 0.000 0.719 181 K HN 0.320 nan 8.250 nan 0.000 0.440 182 I N 0.087 120.450 120.570 -0.345 0.000 2.394 182 I HA -0.220 3.969 4.170 0.030 0.000 0.251 182 I C 2.125 178.175 176.117 -0.112 0.000 1.136 182 I CA 1.237 62.385 61.300 -0.254 0.000 1.425 182 I CB -0.020 37.791 38.000 -0.314 0.000 1.079 182 I HN 0.195 nan 8.210 nan 0.000 0.425 183 M N -0.880 118.673 119.600 -0.079 0.000 2.379 183 M HA 0.286 4.784 4.480 0.030 0.000 0.268 183 M C 1.060 177.372 176.300 0.020 0.000 1.185 183 M CA 0.427 55.760 55.300 0.055 0.000 1.121 183 M CB 1.161 33.919 32.600 0.264 0.000 1.608 183 M HN 0.324 nan 8.290 nan 0.000 0.569 184 G N 1.365 110.060 108.800 -0.174 0.000 2.693 184 G HA2 -0.274 3.704 3.960 0.030 0.000 0.226 184 G HA3 -0.274 3.704 3.960 0.030 0.000 0.226 184 G C -0.216 174.843 174.900 0.264 0.000 1.354 184 G CA 0.029 44.983 45.100 -0.244 0.000 0.873 184 G HN 0.318 nan 8.290 nan 0.000 0.562 185 D N -0.244 120.340 120.400 0.307 0.000 2.292 185 D HA -0.069 4.589 4.640 0.030 0.000 0.205 185 D C 1.899 178.289 176.300 0.149 0.000 0.994 185 D CA 1.612 55.754 54.000 0.237 0.000 0.897 185 D CB -0.033 40.834 40.800 0.113 0.000 0.907 185 D HN 0.414 nan 8.370 nan 0.000 0.467 186 D N -1.211 119.300 120.400 0.186 0.000 2.224 186 D HA -0.104 4.554 4.640 0.030 0.000 0.205 186 D C 1.823 178.275 176.300 0.252 0.000 0.965 186 D CA 0.209 54.331 54.000 0.203 0.000 0.852 186 D CB -0.289 40.607 40.800 0.160 0.000 0.947 186 D HN 0.402 nan 8.370 nan 0.000 0.494 187 F N 0.745 120.796 119.950 0.169 0.000 2.161 187 F HA -0.140 4.405 4.527 0.031 0.000 0.300 187 F C 1.844 177.691 175.800 0.079 0.000 1.089 187 F CA 1.075 59.156 58.000 0.135 0.000 1.282 187 F CB -0.736 38.386 39.000 0.203 0.000 1.010 187 F HN -0.096 nan 8.300 nan 0.000 0.485 188 I N -1.008 119.129 120.570 -0.721 0.000 2.206 188 I HA -0.175 4.013 4.170 0.030 0.000 0.239 188 I C 2.350 178.415 176.117 -0.086 0.000 1.078 188 I CA 1.278 62.248 61.300 -0.550 0.000 1.367 188 I CB -1.064 36.592 38.000 -0.572 0.000 1.078 188 I HN 0.122 nan 8.210 nan 0.000 0.413 189 Y N 2.269 122.480 120.300 -0.149 0.000 2.029 189 Y HA -0.412 4.157 4.550 0.033 0.000 0.269 189 Y C 2.281 178.189 175.900 0.014 0.000 1.201 189 Y CA 2.302 60.362 58.100 -0.066 0.000 1.115 189 Y CB -0.729 37.698 38.460 -0.054 0.000 0.945 189 Y HN 0.222 nan 8.280 nan 0.000 0.497 190 N N -0.822 117.915 118.700 0.061 0.000 2.354 190 N HA -0.060 4.698 4.740 0.030 0.000 0.179 190 N C 1.859 177.342 175.510 -0.045 0.000 1.021 190 N CA 0.436 53.503 53.050 0.029 0.000 0.887 190 N CB -0.199 38.375 38.487 0.145 0.000 0.974 190 N HN 0.445 nan 8.380 nan 0.000 0.437 191 A N 0.879 123.670 122.820 -0.049 0.000 1.872 191 A HA -0.066 4.272 4.320 0.030 0.000 0.214 191 A C 1.713 179.185 177.584 -0.188 0.000 1.187 191 A CA 1.017 52.980 52.037 -0.123 0.000 0.614 191 A CB -0.689 18.203 19.000 -0.179 0.000 0.826 191 A HN 0.142 nan 8.150 nan 0.000 0.442 192 F N 0.872 120.669 119.950 -0.255 0.000 2.113 192 F HA -0.125 4.419 4.527 0.029 0.000 0.297 192 F C 2.811 178.452 175.800 -0.266 0.000 1.103 192 F CA 1.933 59.776 58.000 -0.261 0.000 1.248 192 F CB -1.004 37.816 39.000 -0.301 0.000 0.999 192 F HN 0.144 nan 8.300 nan 0.000 0.475 193 T N 0.920 115.378 114.554 -0.160 0.000 2.665 193 T HA -0.229 4.139 4.350 0.030 0.000 0.268 193 T C 2.189 176.822 174.700 -0.110 0.000 1.035 193 T CA 1.522 63.505 62.100 -0.194 0.000 1.151 193 T CB -0.684 67.991 68.868 -0.321 0.000 0.862 193 T HN 0.130 nan 8.240 nan 0.000 0.438 194 L N 0.733 121.892 121.223 -0.106 0.000 1.961 194 L HA -0.142 4.216 4.340 0.030 0.000 0.210 194 L C 3.088 179.885 176.870 -0.121 0.000 1.072 194 L CA 1.451 56.237 54.840 -0.090 0.000 0.749 194 L CB -0.885 41.129 42.059 -0.075 0.000 0.889 194 L HN 0.263 nan 8.230 nan 0.000 0.432 195 A N 0.094 122.802 122.820 -0.187 0.000 1.923 195 A HA -0.380 3.958 4.320 0.030 0.000 0.222 195 A C 2.129 179.650 177.584 -0.105 0.000 1.258 195 A CA 2.768 54.670 52.037 -0.225 0.000 0.670 195 A CB -1.236 17.568 19.000 -0.327 0.000 0.834 195 A HN 0.661 nan 8.150 nan 0.000 0.470 196 N N -0.857 117.808 118.700 -0.058 0.000 2.216 196 N HA -0.135 4.623 4.740 0.030 0.000 0.183 196 N C 1.697 177.213 175.510 0.009 0.000 1.017 196 N CA 1.250 54.308 53.050 0.014 0.000 0.861 196 N CB -0.146 38.354 38.487 0.021 0.000 0.986 196 N HN 0.682 nan 8.380 nan 0.000 0.428 197 E N -0.115 120.073 120.200 -0.020 0.000 2.268 197 E HA -0.086 4.282 4.350 0.030 0.000 0.195 197 E C 1.818 178.405 176.600 -0.022 0.000 0.995 197 E CA 0.550 56.940 56.400 -0.016 0.000 0.836 197 E CB 0.369 30.053 29.700 -0.026 0.000 0.763 197 E HN 0.219 nan 8.360 nan 0.000 0.491 198 V N 0.434 120.324 119.914 -0.039 0.000 2.500 198 V HA -0.056 4.083 4.120 0.030 0.000 0.243 198 V C 0.646 176.732 176.094 -0.014 0.000 1.039 198 V CA 0.948 63.219 62.300 -0.049 0.000 1.053 198 V CB 0.280 32.044 31.823 -0.099 0.000 0.695 198 V HN 0.100 nan 8.190 nan 0.000 0.463 199 D N -1.085 119.324 120.400 0.015 0.000 2.378 199 D HA 0.291 4.949 4.640 0.030 0.000 0.265 199 D C -2.130 174.216 176.300 0.077 0.000 1.229 199 D CA -1.973 52.066 54.000 0.064 0.000 0.914 199 D CB 1.838 42.717 40.800 0.133 0.000 1.140 199 D HN 0.038 nan 8.370 nan 0.000 0.516 200 P HA -0.108 nan 4.420 nan 0.000 0.218 200 P C 0.794 178.140 177.300 0.078 0.000 1.146 200 P CA 1.128 64.269 63.100 0.069 0.000 0.813 200 P CB 0.402 32.129 31.700 0.046 0.000 0.778 201 K N -1.369 119.074 120.400 0.072 0.000 2.426 201 K HA 0.196 4.534 4.320 0.030 0.000 0.193 201 K C 0.766 177.415 176.600 0.081 0.000 1.028 201 K CA -0.181 56.142 56.287 0.060 0.000 1.047 201 K CB 0.098 32.630 32.500 0.053 0.000 0.821 201 K HN 0.067 nan 8.250 nan 0.000 0.513 202 A N 1.133 124.035 122.820 0.135 0.000 2.354 202 A HA 0.112 4.450 4.320 0.030 0.000 0.269 202 A C -0.941 176.783 177.584 0.233 0.000 1.109 202 A CA -0.219 51.937 52.037 0.200 0.000 0.800 202 A CB 0.023 19.200 19.000 0.296 0.000 1.045 202 A HN 0.317 nan 8.150 nan 0.000 0.489 203 H N 1.918 121.074 119.070 0.144 0.000 2.742 203 H HA 0.505 5.080 4.556 0.032 0.000 0.302 203 H C -0.876 174.615 175.328 0.272 0.000 1.069 203 H CA 0.040 56.202 56.048 0.191 0.000 1.446 203 H CB 0.191 30.037 29.762 0.140 0.000 1.462 203 H HN 0.481 nan 8.280 nan 0.000 0.499 204 L N 7.174 128.461 121.223 0.106 0.000 2.319 204 L HA 0.361 4.719 4.340 0.030 0.000 0.281 204 L C -0.576 176.310 176.870 0.028 0.000 1.005 204 L CA -0.435 54.466 54.840 0.101 0.000 0.828 204 L CB 1.237 43.373 42.059 0.130 0.000 1.227 204 L HN 0.646 nan 8.230 nan 0.000 0.415 205 M N 2.581 122.200 119.600 0.031 0.000 2.598 205 M HA 0.413 4.911 4.480 0.030 0.000 0.317 205 M C -1.025 175.413 176.300 0.230 0.000 1.201 205 M CA -0.678 54.652 55.300 0.050 0.000 0.971 205 M CB 2.349 34.879 32.600 -0.117 0.000 1.657 205 M HN 0.301 nan 8.290 nan 0.000 0.470 206 Y N 1.262 121.614 120.300 0.086 0.000 2.387 206 Y HA 0.564 5.132 4.550 0.029 0.000 0.336 206 Y C -1.101 174.724 175.900 -0.124 0.000 1.067 206 Y CA -0.790 57.339 58.100 0.048 0.000 1.114 206 Y CB 1.176 39.626 38.460 -0.018 0.000 1.208 206 Y HN 0.699 nan 8.280 nan 0.000 0.458 207 N N 3.747 121.806 118.700 -1.068 0.000 2.295 207 N HA 0.390 5.148 4.740 0.030 0.000 0.293 207 N C -2.281 172.693 175.510 -0.894 0.000 1.040 207 N CA -0.391 52.208 53.050 -0.752 0.000 0.840 207 N CB 1.503 39.706 38.487 -0.474 0.000 1.468 207 N HN 0.739 nan 8.380 nan 0.000 0.478 208 D N 0.424 120.482 120.400 -0.570 0.000 2.622 208 D HA 0.289 4.947 4.640 0.030 0.000 0.255 208 D C -1.447 174.735 176.300 -0.197 0.000 1.246 208 D CA -0.295 53.494 54.000 -0.352 0.000 0.795 208 D CB 0.973 41.608 40.800 -0.275 0.000 1.369 208 D HN 0.402 nan 8.370 nan 0.000 0.425 209 Y N 0.003 120.251 120.300 -0.088 0.000 2.528 209 Y HA 0.544 5.112 4.550 0.029 0.000 0.335 209 Y C 0.773 176.676 175.900 0.005 0.000 1.093 209 Y CA -0.873 57.210 58.100 -0.028 0.000 1.134 209 Y CB 0.820 39.309 38.460 0.049 0.000 1.253 209 Y HN 0.284 nan 8.280 nan 0.000 0.478 210 N N 0.483 119.281 118.700 0.163 0.000 2.732 210 N HA -0.257 4.501 4.740 0.030 0.000 0.250 210 N C 0.414 175.926 175.510 0.003 0.000 1.097 210 N CA 1.586 54.682 53.050 0.077 0.000 0.812 210 N CB -1.478 37.044 38.487 0.058 0.000 1.148 210 N HN 0.937 nan 8.380 nan 0.000 0.572 211 I N -2.277 118.292 120.570 -0.001 0.000 3.605 211 I HA 0.043 4.231 4.170 0.030 0.000 0.301 211 I C 1.133 177.348 176.117 0.162 0.000 1.267 211 I CA 0.549 61.908 61.300 0.098 0.000 1.236 211 I CB -0.047 38.042 38.000 0.149 0.000 1.010 211 I HN -0.128 nan 8.210 nan 0.000 0.491 212 E N 1.505 121.774 120.200 0.115 0.000 2.358 212 E HA 0.086 4.454 4.350 0.030 0.000 0.195 212 E C 0.368 177.012 176.600 0.074 0.000 1.010 212 E CA 0.509 56.981 56.400 0.120 0.000 0.856 212 E CB 0.075 29.858 29.700 0.138 0.000 0.795 212 E HN 0.561 nan 8.360 nan 0.000 0.504 213 R N 0.642 121.175 120.500 0.055 0.000 2.428 213 R HA 0.359 4.717 4.340 0.030 0.000 0.294 213 R C -0.288 176.016 176.300 0.007 0.000 1.000 213 R CA -0.388 55.730 56.100 0.031 0.000 0.960 213 R CB 1.176 31.494 30.300 0.029 0.000 1.076 213 R HN -0.066 nan 8.270 nan 0.000 0.475 214 T N 1.308 115.862 114.554 -0.001 0.000 2.928 214 T HA 0.216 4.584 4.350 0.030 0.000 0.305 214 T C 1.297 175.990 174.700 -0.012 0.000 1.035 214 T CA 1.095 63.185 62.100 -0.016 0.000 1.145 214 T CB 0.954 69.815 68.868 -0.011 0.000 0.963 214 T HN 0.907 nan 8.240 nan 0.000 0.545 215 G N 2.910 111.697 108.800 -0.022 0.000 2.784 215 G HA2 -0.242 3.736 3.960 0.030 0.000 0.204 215 G HA3 -0.242 3.736 3.960 0.030 0.000 0.204 215 G C 0.988 175.876 174.900 -0.019 0.000 1.300 215 G CA 0.458 45.547 45.100 -0.018 0.000 0.863 215 G HN 0.656 nan 8.290 nan 0.000 0.541 216 K N 0.979 121.370 120.400 -0.014 0.000 2.166 216 K HA 0.168 4.506 4.320 0.030 0.000 0.201 216 K C 2.477 179.091 176.600 0.024 0.000 1.052 216 K CA 0.911 57.191 56.287 -0.012 0.000 0.969 216 K CB -0.109 32.370 32.500 -0.034 0.000 0.761 216 K HN 0.362 nan 8.250 nan 0.000 0.459 217 R N 0.943 121.457 120.500 0.024 0.000 2.119 217 R HA -0.221 4.137 4.340 0.030 0.000 0.246 217 R C 1.192 177.461 176.300 -0.051 0.000 1.146 217 R CA 2.203 58.309 56.100 0.009 0.000 0.962 217 R CB -0.034 30.198 30.300 -0.113 0.000 0.863 217 R HN 0.134 nan 8.270 nan 0.000 0.442 218 E N 0.015 120.181 120.200 -0.058 0.000 2.122 218 E HA 0.052 4.420 4.350 0.030 0.000 0.190 218 E C 1.806 178.383 176.600 -0.038 0.000 0.977 218 E CA 1.168 57.527 56.400 -0.069 0.000 0.820 218 E CB -0.147 29.515 29.700 -0.062 0.000 0.770 218 E HN 0.480 nan 8.360 nan 0.000 0.462 219 A N 0.331 123.136 122.820 -0.024 0.000 1.972 219 A HA -0.172 4.166 4.320 0.030 0.000 0.219 219 A C 2.197 179.769 177.584 -0.020 0.000 1.169 219 A CA 1.965 53.986 52.037 -0.026 0.000 0.635 219 A CB -0.836 18.146 19.000 -0.030 0.000 0.810 219 A HN 0.264 nan 8.150 nan 0.000 0.446 220 T N -0.832 113.741 114.554 0.032 0.000 2.896 220 T HA -0.044 4.324 4.350 0.030 0.000 0.263 220 T C 1.851 176.608 174.700 0.095 0.000 1.050 220 T CA 1.220 63.363 62.100 0.071 0.000 1.140 220 T CB -0.296 68.717 68.868 0.240 0.000 0.877 220 T HN 0.136 nan 8.240 nan 0.000 0.457 221 V N 1.666 121.651 119.914 0.118 0.000 2.295 221 V HA -0.190 3.948 4.120 0.030 0.000 0.246 221 V C 2.543 178.632 176.094 -0.008 0.000 1.049 221 V CA 1.725 64.063 62.300 0.065 0.000 1.024 221 V CB -0.579 31.198 31.823 -0.077 0.000 0.648 221 V HN 0.520 nan 8.190 nan 0.000 0.447 222 E N -0.489 119.691 120.200 -0.032 0.000 2.065 222 E HA -0.340 4.028 4.350 0.030 0.000 0.201 222 E C 2.205 178.764 176.600 -0.068 0.000 1.016 222 E CA 2.133 58.505 56.400 -0.047 0.000 0.818 222 E CB -0.295 29.379 29.700 -0.044 0.000 0.749 222 E HN 0.533 nan 8.360 nan 0.000 0.453 223 M N 0.774 120.321 119.600 -0.089 0.000 2.108 223 M HA -0.203 4.295 4.480 0.030 0.000 0.261 223 M C 1.948 178.138 176.300 -0.185 0.000 1.066 223 M CA 1.518 56.731 55.300 -0.145 0.000 1.107 223 M CB -0.047 32.429 32.600 -0.206 0.000 1.356 223 M HN 0.098 nan 8.290 nan 0.000 0.406 224 I N 0.200 120.661 120.570 -0.181 0.000 2.163 224 I HA -0.241 3.947 4.170 0.030 0.000 0.240 224 I C 2.129 178.163 176.117 -0.138 0.000 1.081 224 I CA 1.517 62.696 61.300 -0.202 0.000 1.353 224 I CB -1.758 36.163 38.000 -0.131 0.000 1.054 224 I HN 0.390 nan 8.210 nan 0.000 0.407 225 E N 0.919 121.068 120.200 -0.086 0.000 2.048 225 E HA -0.293 4.075 4.350 0.030 0.000 0.202 225 E C 2.312 178.870 176.600 -0.069 0.000 1.021 225 E CA 1.941 58.302 56.400 -0.064 0.000 0.825 225 E CB -0.285 29.387 29.700 -0.046 0.000 0.756 225 E HN 0.391 nan 8.360 nan 0.000 0.454 226 R N 0.839 121.297 120.500 -0.071 0.000 2.159 226 R HA -0.164 4.194 4.340 0.030 0.000 0.237 226 R C 2.010 178.265 176.300 -0.076 0.000 1.131 226 R CA 1.263 57.323 56.100 -0.067 0.000 0.982 226 R CB -0.208 30.055 30.300 -0.060 0.000 0.868 226 R HN 0.207 nan 8.270 nan 0.000 0.453 227 L N -0.064 121.103 121.223 -0.093 0.000 2.307 227 L HA 0.030 4.388 4.340 0.030 0.000 0.211 227 L C 2.417 179.264 176.870 -0.040 0.000 1.099 227 L CA 0.697 55.498 54.840 -0.066 0.000 0.816 227 L CB -0.088 41.898 42.059 -0.121 0.000 0.952 227 L HN 0.289 nan 8.230 nan 0.000 0.455 228 Q N 0.424 120.175 119.800 -0.081 0.000 2.187 228 Q HA -0.170 4.188 4.340 0.030 0.000 0.199 228 Q C 2.055 178.036 176.000 -0.032 0.000 0.957 228 Q CA 1.170 56.932 55.803 -0.069 0.000 0.857 228 Q CB 0.135 28.826 28.738 -0.078 0.000 0.929 228 Q HN 0.510 nan 8.270 nan 0.000 0.453 229 K N 0.309 120.687 120.400 -0.036 0.000 2.283 229 K HA -0.085 4.253 4.320 0.030 0.000 0.202 229 K C 1.599 178.183 176.600 -0.027 0.000 1.048 229 K CA 0.868 57.137 56.287 -0.029 0.000 0.948 229 K CB -0.082 32.398 32.500 -0.034 0.000 0.742 229 K HN 0.009 nan 8.250 nan 0.000 0.458 230 R N 0.505 120.986 120.500 -0.033 0.000 2.316 230 R HA 0.003 4.361 4.340 0.030 0.000 0.202 230 R C 0.700 177.048 176.300 0.080 0.000 1.029 230 R CA 0.643 56.712 56.100 -0.052 0.000 1.018 230 R CB -0.177 29.997 30.300 -0.209 0.000 0.888 230 R HN 0.609 nan 8.270 nan 0.000 0.471 231 G N 1.595 110.449 108.800 0.089 0.000 2.160 231 G HA2 -0.307 3.671 3.960 0.030 0.000 0.244 231 G HA3 -0.307 3.671 3.960 0.030 0.000 0.244 231 G C 0.045 175.002 174.900 0.094 0.000 1.022 231 G CA 0.164 45.321 45.100 0.094 0.000 0.741 231 G HN 0.322 nan 8.290 nan 0.000 0.508 232 M N 1.257 120.910 119.600 0.089 0.000 2.217 232 M HA 0.457 4.955 4.480 0.030 0.000 0.354 232 M C -2.004 174.160 176.300 -0.226 0.000 1.225 232 M CA -1.648 53.555 55.300 -0.161 0.000 1.137 232 M CB 0.782 33.253 32.600 -0.215 0.000 1.576 232 M HN -0.004 nan 8.290 nan 0.000 0.461 233 P HA 0.348 nan 4.420 nan 0.000 0.287 233 P C -1.276 175.829 177.300 -0.325 0.000 1.307 233 P CA -0.044 62.923 63.100 -0.222 0.000 0.777 233 P CB 0.305 31.931 31.700 -0.124 0.000 0.883 234 I N 3.154 123.442 120.570 -0.470 0.000 2.656 234 I HA 0.331 4.519 4.170 0.030 0.000 0.292 234 I C -0.147 175.689 176.117 -0.469 0.000 1.144 234 I CA -0.663 60.369 61.300 -0.447 0.000 1.038 234 I CB 2.044 39.721 38.000 -0.539 0.000 1.244 234 I HN 0.343 nan 8.210 nan 0.000 0.420 235 H N 4.581 123.590 119.070 -0.102 0.000 3.017 235 H HA 0.464 5.045 4.556 0.041 0.000 0.255 235 H C 0.542 175.759 175.328 -0.185 0.000 0.990 235 H CA -0.014 55.921 56.048 -0.189 0.000 1.205 235 H CB 1.113 30.670 29.762 -0.343 0.000 1.460 235 H HN 0.563 nan 8.280 nan 0.000 0.478 236 G N 0.441 109.176 108.800 -0.109 0.000 2.619 236 G HA2 0.508 4.486 3.960 0.030 0.000 0.296 236 G HA3 0.508 4.486 3.960 0.030 0.000 0.296 236 G C -1.949 172.977 174.900 0.043 0.000 1.334 236 G CA -0.490 44.677 45.100 0.112 0.000 0.934 236 G HN 0.026 nan 8.290 nan 0.000 0.476 237 L N 1.814 123.075 121.223 0.063 0.000 2.372 237 L HA 0.661 5.019 4.340 0.030 0.000 0.274 237 L C 0.416 177.169 176.870 -0.194 0.000 0.988 237 L CA -0.392 54.364 54.840 -0.140 0.000 0.833 237 L CB 0.883 42.758 42.059 -0.306 0.000 1.236 237 L HN 0.711 nan 8.230 nan 0.000 0.410 238 G N 5.846 114.477 108.800 -0.281 0.000 2.349 238 G HA2 0.476 4.455 3.960 0.030 0.000 0.281 238 G HA3 0.476 4.455 3.960 0.030 0.000 0.281 238 G C -0.285 174.339 174.900 -0.461 0.000 1.182 238 G CA -0.379 44.521 45.100 -0.333 0.000 0.899 238 G HN 0.615 nan 8.290 nan 0.000 0.455 239 I N 2.973 123.202 120.570 -0.568 0.000 2.291 239 I HA 0.077 4.265 4.170 0.030 0.000 0.290 239 I C 1.592 177.457 176.117 -0.419 0.000 1.050 239 I CA -0.338 60.620 61.300 -0.570 0.000 1.245 239 I CB 1.437 38.915 38.000 -0.870 0.000 1.405 239 I HN 0.634 nan 8.210 nan 0.000 0.478 240 Q N 4.942 124.559 119.800 -0.304 0.000 2.082 240 Q HA -0.220 4.138 4.340 0.030 0.000 0.211 240 Q C 1.687 177.517 176.000 -0.285 0.000 1.002 240 Q CA 1.558 57.163 55.803 -0.330 0.000 0.868 240 Q CB -0.246 28.341 28.738 -0.250 0.000 0.931 240 Q HN 1.068 nan 8.270 nan 0.000 0.414 241 G N 1.317 110.071 108.800 -0.077 0.000 2.221 241 G HA2 -0.228 3.750 3.960 0.030 0.000 0.265 241 G HA3 -0.228 3.750 3.960 0.030 0.000 0.265 241 G C -0.390 174.522 174.900 0.020 0.000 1.041 241 G CA 0.208 45.355 45.100 0.079 0.000 0.807 241 G HN 0.437 nan 8.290 nan 0.000 0.502 242 H N -0.015 119.154 119.070 0.164 0.000 3.362 242 H HA 0.344 4.919 4.556 0.031 0.000 0.248 242 H C 1.198 176.644 175.328 0.197 0.000 1.276 242 H CA 0.542 56.728 56.048 0.231 0.000 1.520 242 H CB -0.122 29.804 29.762 0.273 0.000 1.624 242 H HN 0.403 nan 8.280 nan 0.000 0.502 243 L N 1.188 122.576 121.223 0.275 0.000 2.331 243 L HA 0.608 4.966 4.340 0.030 0.000 0.268 243 L C 1.265 178.246 176.870 0.185 0.000 1.015 243 L CA -1.136 53.818 54.840 0.190 0.000 0.807 243 L CB 1.530 43.664 42.059 0.126 0.000 1.293 243 L HN 0.445 nan 8.230 nan 0.000 0.451 244 G N -0.542 108.348 108.800 0.149 0.000 2.601 244 G HA2 0.413 4.391 3.960 0.030 0.000 0.317 244 G HA3 0.413 4.391 3.960 0.030 0.000 0.317 244 G C 0.268 175.222 174.900 0.091 0.000 1.246 244 G CA -0.518 44.673 45.100 0.151 0.000 1.012 244 G HN 0.563 nan 8.290 nan 0.000 0.494 245 I N -0.978 119.644 120.570 0.087 0.000 2.614 245 I HA 0.003 4.191 4.170 0.030 0.000 0.258 245 I C 1.130 177.270 176.117 0.038 0.000 1.189 245 I CA 1.510 62.840 61.300 0.049 0.000 1.462 245 I CB 0.202 38.242 38.000 0.067 0.000 1.092 245 I HN 0.388 nan 8.210 nan 0.000 0.442 246 D N -1.057 119.377 120.400 0.057 0.000 2.457 246 D HA 0.159 4.817 4.640 0.030 0.000 0.254 246 D C 0.544 176.875 176.300 0.052 0.000 1.097 246 D CA 0.946 54.975 54.000 0.050 0.000 0.870 246 D CB 0.523 41.356 40.800 0.057 0.000 1.253 246 D HN 0.383 nan 8.370 nan 0.000 0.500 247 T N -0.430 114.164 114.554 0.067 0.000 2.912 247 T HA 0.550 4.918 4.350 0.030 0.000 0.299 247 T C -3.054 171.694 174.700 0.080 0.000 1.052 247 T CA -1.732 60.410 62.100 0.070 0.000 0.996 247 T CB 3.022 71.936 68.868 0.077 0.000 1.070 247 T HN -0.295 nan 8.240 nan 0.000 0.465 248 P HA 0.404 nan 4.420 nan 0.000 0.274 248 P C -2.594 174.739 177.300 0.054 0.000 1.246 248 P CA -1.530 61.609 63.100 0.065 0.000 0.795 248 P CB -0.415 31.330 31.700 0.074 0.000 1.006 249 P HA 0.171 nan 4.420 nan 0.000 0.274 249 P C 1.273 178.597 177.300 0.039 0.000 1.246 249 P CA -0.275 62.848 63.100 0.037 0.000 0.795 249 P CB 0.703 32.423 31.700 0.033 0.000 1.006 250 I N 0.394 120.980 120.570 0.028 0.000 2.361 250 I HA -0.210 3.978 4.170 0.030 0.000 0.251 250 I C 2.296 178.441 176.117 0.048 0.000 1.133 250 I CA 1.688 63.003 61.300 0.025 0.000 1.413 250 I CB -1.648 36.353 38.000 0.002 0.000 1.073 250 I HN 0.373 nan 8.210 nan 0.000 0.424 251 A N 0.281 123.127 122.820 0.043 0.000 1.972 251 A HA -0.188 4.151 4.320 0.030 0.000 0.219 251 A C 2.237 179.845 177.584 0.041 0.000 1.169 251 A CA 1.325 53.389 52.037 0.044 0.000 0.635 251 A CB -0.338 18.682 19.000 0.034 0.000 0.810 251 A HN 0.361 nan 8.150 nan 0.000 0.446 252 E N -0.044 120.182 120.200 0.043 0.000 2.015 252 E HA -0.132 4.236 4.350 0.030 0.000 0.191 252 E C 2.038 178.675 176.600 0.062 0.000 0.991 252 E CA 1.240 57.665 56.400 0.042 0.000 0.802 252 E CB -0.402 29.327 29.700 0.048 0.000 0.759 252 E HN 0.709 nan 8.360 nan 0.000 0.447 253 I N 1.250 121.879 120.570 0.098 0.000 2.194 253 I HA -0.298 3.890 4.170 0.030 0.000 0.246 253 I C 2.654 178.857 176.117 0.144 0.000 1.093 253 I CA 1.357 62.757 61.300 0.167 0.000 1.355 253 I CB -0.298 37.827 38.000 0.208 0.000 1.046 253 I HN 0.159 nan 8.210 nan 0.000 0.413 254 E N 1.455 121.711 120.200 0.094 0.000 2.038 254 E HA -0.278 4.090 4.350 0.030 0.000 0.195 254 E C 2.197 178.770 176.600 -0.046 0.000 1.000 254 E CA 1.523 57.943 56.400 0.033 0.000 0.803 254 E CB 0.035 29.785 29.700 0.084 0.000 0.750 254 E HN 0.310 nan 8.360 nan 0.000 0.448 255 K N -0.088 120.298 120.400 -0.023 0.000 2.059 255 K HA -0.174 4.164 4.320 0.030 0.000 0.212 255 K C 2.404 178.928 176.600 -0.126 0.000 1.050 255 K CA 1.711 57.959 56.287 -0.065 0.000 0.927 255 K CB -0.164 32.304 32.500 -0.053 0.000 0.714 255 K HN 0.031 nan 8.250 nan 0.000 0.447 256 S N 0.818 116.460 115.700 -0.097 0.000 2.368 256 S HA -0.056 4.432 4.470 0.030 0.000 0.224 256 S C 1.908 176.481 174.600 -0.044 0.000 1.029 256 S CA 0.897 58.999 58.200 -0.163 0.000 0.988 256 S CB -0.145 63.075 63.200 0.034 0.000 0.838 256 S HN 0.201 nan 8.310 nan 0.000 0.462 257 I N 1.166 121.757 120.570 0.035 0.000 2.208 257 I HA -0.214 3.974 4.170 0.030 0.000 0.245 257 I C 1.971 178.071 176.117 -0.029 0.000 1.097 257 I CA 1.297 62.622 61.300 0.042 0.000 1.363 257 I CB -0.315 37.667 38.000 -0.031 0.000 1.051 257 I HN 0.260 nan 8.210 nan 0.000 0.413 258 I N 0.284 120.779 120.570 -0.125 0.000 2.286 258 I HA -0.229 3.959 4.170 0.030 0.000 0.245 258 I C 2.711 178.776 176.117 -0.086 0.000 1.104 258 I CA 1.180 62.420 61.300 -0.100 0.000 1.397 258 I CB -0.350 37.587 38.000 -0.104 0.000 1.072 258 I HN 0.163 nan 8.210 nan 0.000 0.417 259 A N 0.575 123.283 122.820 -0.187 0.000 1.898 259 A HA -0.164 4.175 4.320 0.030 0.000 0.216 259 A C 1.993 179.467 177.584 -0.184 0.000 1.181 259 A CA 1.459 53.335 52.037 -0.268 0.000 0.620 259 A CB -0.782 17.926 19.000 -0.487 0.000 0.819 259 A HN 0.320 nan 8.150 nan 0.000 0.442 260 F N -0.036 119.892 119.950 -0.038 0.000 2.259 260 F HA 0.097 4.643 4.527 0.032 0.000 0.298 260 F C 2.695 178.485 175.800 -0.016 0.000 1.088 260 F CA 0.425 58.405 58.000 -0.033 0.000 1.358 260 F CB -0.645 38.326 39.000 -0.048 0.000 1.040 260 F HN 0.251 nan 8.300 nan 0.000 0.505 261 A N -0.334 122.581 122.820 0.159 0.000 1.970 261 A HA -0.130 4.208 4.320 0.030 0.000 0.216 261 A C 2.196 179.826 177.584 0.078 0.000 1.170 261 A CA 1.045 53.147 52.037 0.109 0.000 0.645 261 A CB -0.580 18.473 19.000 0.087 0.000 0.816 261 A HN 0.249 nan 8.150 nan 0.000 0.447 262 K N -0.289 120.141 120.400 0.051 0.000 2.218 262 K HA -0.085 4.253 4.320 0.030 0.000 0.205 262 K C 0.965 177.586 176.600 0.035 0.000 1.046 262 K CA 1.156 57.461 56.287 0.031 0.000 0.933 262 K CB -0.369 32.130 32.500 -0.000 0.000 0.728 262 K HN 0.525 nan 8.250 nan 0.000 0.454 263 L N 0.002 121.258 121.223 0.055 0.000 2.660 263 L HA 0.120 4.478 4.340 0.030 0.000 0.238 263 L C 0.814 177.712 176.870 0.047 0.000 1.161 263 L CA 0.148 55.016 54.840 0.047 0.000 0.937 263 L CB -0.293 41.807 42.059 0.069 0.000 1.122 263 L HN 0.291 nan 8.230 nan 0.000 0.435 264 G N 0.936 109.770 108.800 0.057 0.000 2.246 264 G HA2 -0.270 3.708 3.960 0.030 0.000 0.273 264 G HA3 -0.270 3.708 3.960 0.030 0.000 0.273 264 G C -0.216 174.733 174.900 0.081 0.000 1.055 264 G CA 0.102 45.239 45.100 0.062 0.000 0.851 264 G HN 0.306 nan 8.290 nan 0.000 0.500 265 L N -0.810 120.471 121.223 0.097 0.000 2.354 265 L HA 0.699 5.057 4.340 0.030 0.000 0.264 265 L C 0.453 177.413 176.870 0.150 0.000 1.008 265 L CA -1.532 53.381 54.840 0.122 0.000 0.819 265 L CB 1.507 43.620 42.059 0.089 0.000 1.339 265 L HN -0.073 nan 8.230 nan 0.000 0.420 266 R N 1.200 121.835 120.500 0.225 0.000 2.438 266 R HA 0.395 4.753 4.340 0.030 0.000 0.287 266 R C -0.724 175.687 176.300 0.184 0.000 1.077 266 R CA -0.570 55.649 56.100 0.197 0.000 1.034 266 R CB 0.968 31.447 30.300 0.298 0.000 0.993 266 R HN 0.269 nan 8.270 nan 0.000 0.459 267 V N 4.893 124.813 119.914 0.010 0.000 2.439 267 V HA 0.271 4.409 4.120 0.030 0.000 0.282 267 V C 0.354 176.286 176.094 -0.271 0.000 1.039 267 V CA -0.410 61.857 62.300 -0.056 0.000 0.913 267 V CB 1.097 32.887 31.823 -0.054 0.000 0.983 267 V HN 0.631 nan 8.190 nan 0.000 0.460 268 H N 3.867 122.793 119.070 -0.240 0.000 2.637 268 H HA 0.452 5.022 4.556 0.024 0.000 0.363 268 H C -1.431 173.595 175.328 -0.502 0.000 1.131 268 H CA -0.555 55.343 56.048 -0.250 0.000 1.183 268 H CB 2.087 31.764 29.762 -0.142 0.000 1.637 268 H HN 0.451 nan 8.280 nan 0.000 0.531 269 F N 1.472 121.205 119.950 -0.362 0.000 2.404 269 F HA 0.109 4.653 4.527 0.028 0.000 0.354 269 F C 1.522 177.134 175.800 -0.312 0.000 1.122 269 F CA -0.326 57.419 58.000 -0.425 0.000 1.080 269 F CB 1.683 40.238 39.000 -0.741 0.000 1.131 269 F HN 0.584 nan 8.300 nan 0.000 0.471 270 T N -3.002 111.449 114.554 -0.170 0.000 2.978 270 T HA 0.102 4.471 4.350 0.030 0.000 0.248 270 T C 0.701 175.329 174.700 -0.120 0.000 1.018 270 T CA 0.192 62.201 62.100 -0.151 0.000 1.026 270 T CB 0.070 68.802 68.868 -0.227 0.000 1.032 270 T HN 0.320 nan 8.240 nan 0.000 0.485 271 S N 1.553 117.105 115.700 -0.247 0.000 2.794 271 S HA 0.431 4.919 4.470 0.030 0.000 0.244 271 S C -0.176 174.299 174.600 -0.210 0.000 1.045 271 S CA -0.659 57.374 58.200 -0.277 0.000 1.114 271 S CB 0.165 62.715 63.200 -1.084 0.000 1.085 271 S HN 0.430 nan 8.310 nan 0.000 0.488 272 L N 4.016 125.220 121.223 -0.032 0.000 2.559 272 L HA 0.149 4.508 4.340 0.030 0.000 0.274 272 L C -0.593 176.507 176.870 0.383 0.000 1.205 272 L CA 1.282 56.160 54.840 0.065 0.000 0.907 272 L CB 0.069 42.023 42.059 -0.175 0.000 1.153 272 L HN 0.503 nan 8.230 nan 0.000 0.490 273 D N 2.709 123.378 120.400 0.448 0.000 2.694 273 D HA 0.345 5.003 4.640 0.030 0.000 0.260 273 D C -1.258 175.288 176.300 0.410 0.000 1.250 273 D CA -0.546 53.814 54.000 0.600 0.000 0.763 273 D CB 1.623 42.832 40.800 0.681 0.000 1.311 273 D HN 0.086 nan 8.370 nan 0.000 0.420 274 V N 0.677 120.788 119.914 0.329 0.000 2.409 274 V HA 0.342 4.480 4.120 0.030 0.000 0.290 274 V C -0.744 175.474 176.094 0.205 0.000 1.017 274 V CA -0.753 61.631 62.300 0.139 0.000 0.841 274 V CB 1.338 33.073 31.823 -0.146 0.000 1.003 274 V HN 0.657 nan 8.190 nan 0.000 0.426 275 D N 3.618 124.146 120.400 0.214 0.000 2.358 275 D HA 0.096 4.754 4.640 0.030 0.000 0.258 275 D C 0.916 177.323 176.300 0.179 0.000 1.223 275 D CA 0.145 54.267 54.000 0.202 0.000 0.886 275 D CB 1.909 42.841 40.800 0.220 0.000 1.120 275 D HN 0.473 nan 8.370 nan 0.000 0.482 276 V N 2.470 122.505 119.914 0.200 0.000 3.621 276 V HA 0.272 4.410 4.120 0.030 0.000 0.285 276 V C 0.801 177.053 176.094 0.264 0.000 1.346 276 V CA -0.150 62.275 62.300 0.208 0.000 1.104 276 V CB -0.589 31.351 31.823 0.196 0.000 0.913 276 V HN 0.307 nan 8.190 nan 0.000 0.432 277 L N 0.810 122.159 121.223 0.210 0.000 2.399 277 L HA 0.540 4.898 4.340 0.030 0.000 0.265 277 L C -2.067 174.837 176.870 0.056 0.000 1.089 277 L CA -2.039 52.887 54.840 0.143 0.000 0.802 277 L CB 0.294 42.397 42.059 0.074 0.000 1.180 277 L HN -0.003 nan 8.230 nan 0.000 0.454 278 P HA -0.077 nan 4.420 nan 0.000 0.259 278 P C -0.517 176.716 177.300 -0.112 0.000 1.163 278 P CA 0.401 63.462 63.100 -0.065 0.000 0.760 278 P CB 0.465 32.091 31.700 -0.123 0.000 0.762 279 S N 2.087 117.736 115.700 -0.086 0.000 2.562 279 S HA 0.252 4.740 4.470 0.030 0.000 0.275 279 S C 1.008 175.447 174.600 -0.269 0.000 1.281 279 S CA -0.694 57.419 58.200 -0.144 0.000 1.045 279 S CB 0.267 63.504 63.200 0.061 0.000 0.962 279 S HN 0.290 nan 8.310 nan 0.000 0.503 280 V N 2.580 122.163 119.914 -0.551 0.000 3.578 280 V HA 0.333 4.471 4.120 0.030 0.000 0.290 280 V C 1.061 176.893 176.094 -0.436 0.000 1.376 280 V CA -0.197 61.769 62.300 -0.557 0.000 1.083 280 V CB -1.187 30.199 31.823 -0.728 0.000 0.911 280 V HN 0.936 nan 8.190 nan 0.000 0.433 281 W N 0.522 121.790 121.300 -0.055 0.000 2.467 281 W HA 0.164 4.842 4.660 0.030 0.000 0.275 281 W C 1.712 178.224 176.519 -0.011 0.000 1.239 281 W CA 0.478 57.819 57.345 -0.006 0.000 1.266 281 W CB 0.324 29.808 29.460 0.040 0.000 1.112 281 W HN 0.199 nan 8.180 nan 0.000 0.576 282 E N 0.312 120.603 120.200 0.152 0.000 2.736 282 E HA 0.226 4.594 4.350 0.030 0.000 0.208 282 E C -0.129 176.483 176.600 0.019 0.000 0.996 282 E CA 0.016 56.472 56.400 0.093 0.000 1.104 282 E CB -0.195 29.558 29.700 0.089 0.000 1.111 282 E HN 0.206 nan 8.360 nan 0.000 0.455 283 L N 1.588 122.797 121.223 -0.024 0.000 2.375 283 L HA 0.310 4.668 4.340 0.030 0.000 0.271 283 L C -1.762 175.081 176.870 -0.046 0.000 1.107 283 L CA -1.753 53.046 54.840 -0.069 0.000 0.806 283 L CB 0.082 42.052 42.059 -0.149 0.000 1.146 283 L HN -0.172 nan 8.230 nan 0.000 0.447 284 P HA -0.078 nan 4.420 nan 0.000 0.267 284 P C 0.820 178.099 177.300 -0.036 0.000 1.201 284 P CA -0.135 62.945 63.100 -0.033 0.000 0.775 284 P CB 0.665 32.343 31.700 -0.037 0.000 0.854 285 V N 2.670 122.572 119.914 -0.021 0.000 2.222 285 V HA -0.339 3.799 4.120 0.030 0.000 0.252 285 V C 1.736 177.814 176.094 -0.027 0.000 1.060 285 V CA 2.713 65.003 62.300 -0.016 0.000 1.027 285 V CB -1.326 30.492 31.823 -0.007 0.000 0.644 285 V HN 0.728 nan 8.190 nan 0.000 0.448 286 A N -0.460 122.343 122.820 -0.029 0.000 2.142 286 A HA -0.022 4.316 4.320 0.030 0.000 0.208 286 A C 1.299 178.853 177.584 -0.050 0.000 1.344 286 A CA 1.285 53.303 52.037 -0.033 0.000 1.045 286 A CB -0.765 18.218 19.000 -0.029 0.000 0.784 286 A HN 0.937 nan 8.150 nan 0.000 0.509 287 E N -1.697 118.463 120.200 -0.066 0.000 3.042 287 E HA 0.139 4.507 4.350 0.030 0.000 0.144 287 E C 0.111 176.619 176.600 -0.154 0.000 0.893 287 E CA -0.003 56.334 56.400 -0.105 0.000 1.422 287 E CB -0.331 29.301 29.700 -0.113 0.000 0.997 287 E HN -0.011 nan 8.360 nan 0.000 0.420 288 V N 0.326 120.174 119.914 -0.109 0.000 2.469 288 V HA -0.068 4.070 4.120 0.030 0.000 0.251 288 V C 0.800 176.791 176.094 -0.173 0.000 1.064 288 V CA 2.009 64.239 62.300 -0.116 0.000 1.066 288 V CB 0.397 32.218 31.823 -0.004 0.000 0.667 288 V HN 0.386 nan 8.190 nan 0.000 0.461 289 S N -2.062 113.578 115.700 -0.100 0.000 2.317 289 S HA 0.165 4.653 4.470 0.030 0.000 0.208 289 S C 0.691 175.266 174.600 -0.042 0.000 0.849 289 S CA 0.279 58.416 58.200 -0.105 0.000 1.042 289 S CB 0.793 64.077 63.200 0.140 0.000 1.316 289 S HN 0.561 nan 8.310 nan 0.000 0.386 290 T N 3.864 118.374 114.554 -0.074 0.000 2.582 290 T HA -0.371 3.997 4.350 0.030 0.000 0.238 290 T C 1.910 176.487 174.700 -0.205 0.000 1.283 290 T CA 2.806 64.837 62.100 -0.115 0.000 1.101 290 T CB -0.826 67.978 68.868 -0.107 0.000 0.823 290 T HN 0.907 nan 8.240 nan 0.000 0.467 291 R N -0.305 119.973 120.500 -0.369 0.000 2.249 291 R HA -0.033 4.325 4.340 0.030 0.000 0.230 291 R C 1.689 177.586 176.300 -0.672 0.000 1.121 291 R CA 1.917 57.674 56.100 -0.571 0.000 0.997 291 R CB -0.663 29.204 30.300 -0.722 0.000 0.867 291 R HN 0.560 nan 8.270 nan 0.000 0.465 292 F N 1.057 120.904 119.950 -0.172 0.000 2.695 292 F HA 0.320 4.865 4.527 0.030 0.000 0.303 292 F C 0.243 175.969 175.800 -0.123 0.000 1.091 292 F CA -0.650 57.235 58.000 -0.192 0.000 1.300 292 F CB 0.111 39.008 39.000 -0.173 0.000 1.071 292 F HN -0.050 nan 8.300 nan 0.000 0.578 293 E N 0.080 120.289 120.200 0.015 0.000 2.373 293 E HA -0.034 4.335 4.350 0.030 0.000 0.267 293 E C -0.742 175.866 176.600 0.014 0.000 1.032 293 E CA -0.415 56.005 56.400 0.034 0.000 0.889 293 E CB 0.454 30.155 29.700 0.003 0.000 0.984 293 E HN 0.190 nan 8.360 nan 0.000 0.425 294 Y N 2.906 123.186 120.300 -0.035 0.000 2.569 294 Y HA 0.043 4.611 4.550 0.030 0.000 0.332 294 Y C -0.365 175.504 175.900 -0.052 0.000 1.120 294 Y CA 0.631 58.704 58.100 -0.045 0.000 1.416 294 Y CB 0.290 38.732 38.460 -0.031 0.000 1.210 294 Y HN 0.306 nan 8.280 nan 0.000 0.528 295 K N 7.672 127.753 120.400 -0.531 0.000 2.427 295 K HA 0.288 4.626 4.320 0.030 0.000 0.252 295 K C -2.102 174.212 176.600 -0.475 0.000 0.931 295 K CA -1.967 54.117 56.287 -0.339 0.000 0.793 295 K CB 2.161 34.537 32.500 -0.207 0.000 1.211 295 K HN 0.310 nan 8.250 nan 0.000 0.426 296 P HA -0.275 nan 4.420 nan 0.000 0.216 296 P C 0.177 177.362 177.300 -0.192 0.000 1.167 296 P CA 1.657 64.675 63.100 -0.135 0.000 0.933 296 P CB 0.267 31.942 31.700 -0.041 0.000 0.793 297 E N -1.021 119.074 120.200 -0.174 0.000 2.333 297 E HA -0.136 4.232 4.350 0.030 0.000 0.198 297 E C 1.802 178.271 176.600 -0.217 0.000 1.007 297 E CA 0.850 57.148 56.400 -0.171 0.000 0.845 297 E CB -0.611 29.006 29.700 -0.139 0.000 0.766 297 E HN 0.330 nan 8.360 nan 0.000 0.507 298 R N 0.213 120.550 120.500 -0.271 0.000 2.276 298 R HA 0.051 4.409 4.340 0.030 0.000 0.196 298 R C 0.239 176.372 176.300 -0.279 0.000 0.961 298 R CA 0.563 56.495 56.100 -0.280 0.000 1.024 298 R CB 0.246 30.351 30.300 -0.325 0.000 0.940 298 R HN 0.003 nan 8.270 nan 0.000 0.480 299 D N 0.500 120.723 120.400 -0.295 0.000 2.683 299 D HA 0.151 4.809 4.640 0.030 0.000 0.309 299 D C -1.924 174.280 176.300 -0.160 0.000 1.238 299 D CA -2.202 51.689 54.000 -0.182 0.000 0.936 299 D CB 1.105 41.830 40.800 -0.125 0.000 1.001 299 D HN -0.058 nan 8.370 nan 0.000 0.505 300 P HA 0.044 nan 4.420 nan 0.000 0.245 300 P C -0.084 176.979 177.300 -0.395 0.000 1.206 300 P CA 0.363 63.197 63.100 -0.443 0.000 0.781 300 P CB 0.089 31.338 31.700 -0.752 0.000 0.994 301 Y N -1.039 119.333 120.300 0.121 0.000 2.706 301 Y HA 0.142 4.710 4.550 0.030 0.000 0.255 301 Y C 2.022 178.079 175.900 0.261 0.000 1.163 301 Y CA -0.268 57.932 58.100 0.166 0.000 1.174 301 Y CB -1.107 37.451 38.460 0.164 0.000 1.200 301 Y HN -0.076 nan 8.280 nan 0.000 0.544 302 T N -2.193 112.531 114.554 0.283 0.000 2.760 302 T HA -0.264 4.104 4.350 0.030 0.000 0.269 302 T C 1.671 176.497 174.700 0.210 0.000 1.047 302 T CA 1.684 63.917 62.100 0.222 0.000 1.139 302 T CB -0.000 68.954 68.868 0.144 0.000 0.855 302 T HN 0.283 nan 8.240 nan 0.000 0.471 303 K N 1.037 121.551 120.400 0.190 0.000 2.459 303 K HA 0.376 4.714 4.320 0.030 0.000 0.193 303 K C 0.838 177.531 176.600 0.156 0.000 1.030 303 K CA 0.309 56.683 56.287 0.145 0.000 1.026 303 K CB 0.092 32.654 32.500 0.104 0.000 0.809 303 K HN 0.671 nan 8.250 nan 0.000 0.504 304 G N 0.753 109.683 108.800 0.217 0.000 2.317 304 G HA2 -0.021 3.957 3.960 0.030 0.000 0.445 304 G HA3 -0.021 3.957 3.960 0.030 0.000 0.445 304 G C -2.172 172.665 174.900 -0.104 0.000 1.486 304 G CA -1.124 44.057 45.100 0.135 0.000 0.991 304 G HN 0.004 nan 8.290 nan 0.000 0.660 305 L N 3.219 124.102 121.223 -0.567 0.000 2.278 305 L HA 0.562 4.920 4.340 0.030 0.000 0.287 305 L C -1.148 175.456 176.870 -0.444 0.000 1.072 305 L CA -1.528 52.797 54.840 -0.858 0.000 0.819 305 L CB 0.469 41.770 42.059 -1.262 0.000 1.176 305 L HN 0.512 nan 8.230 nan 0.000 0.435 306 P HA -0.035 nan 4.420 nan 0.000 0.269 306 P C -0.156 177.037 177.300 -0.179 0.000 1.217 306 P CA -0.205 62.777 63.100 -0.195 0.000 0.783 306 P CB 0.722 32.347 31.700 -0.124 0.000 0.898 307 Q N 1.623 121.363 119.800 -0.101 0.000 2.135 307 Q HA -0.237 4.121 4.340 0.030 0.000 0.204 307 Q C 2.033 177.988 176.000 -0.075 0.000 0.981 307 Q CA 2.475 58.233 55.803 -0.075 0.000 0.856 307 Q CB -0.729 27.984 28.738 -0.041 0.000 0.902 307 Q HN 0.641 nan 8.270 nan 0.000 0.425 308 E N -0.698 119.460 120.200 -0.069 0.000 2.097 308 E HA -0.229 4.139 4.350 0.030 0.000 0.196 308 E C 1.594 178.152 176.600 -0.071 0.000 1.000 308 E CA 1.943 58.311 56.400 -0.053 0.000 0.804 308 E CB -0.419 29.263 29.700 -0.029 0.000 0.740 308 E HN 0.336 nan 8.360 nan 0.000 0.454 309 M N -0.079 119.437 119.600 -0.140 0.000 2.236 309 M HA -0.000 4.498 4.480 0.030 0.000 0.266 309 M C 2.118 178.334 176.300 -0.140 0.000 1.070 309 M CA 1.052 56.247 55.300 -0.176 0.000 1.137 309 M CB -0.742 31.626 32.600 -0.387 0.000 1.378 309 M HN 0.142 nan 8.290 nan 0.000 0.426 310 Q N 1.315 121.025 119.800 -0.149 0.000 2.082 310 Q HA -0.216 4.142 4.340 0.030 0.000 0.211 310 Q C 1.610 177.604 176.000 -0.010 0.000 1.002 310 Q CA 1.838 57.600 55.803 -0.069 0.000 0.868 310 Q CB -0.662 28.044 28.738 -0.053 0.000 0.931 310 Q HN 0.518 nan 8.270 nan 0.000 0.414 311 D N 0.035 120.426 120.400 -0.015 0.000 2.117 311 D HA -0.119 4.539 4.640 0.030 0.000 0.197 311 D C 1.821 178.131 176.300 0.017 0.000 0.987 311 D CA 0.978 54.983 54.000 0.008 0.000 0.829 311 D CB -0.068 40.732 40.800 -0.001 0.000 0.961 311 D HN 0.315 nan 8.370 nan 0.000 0.460 312 K N 0.192 120.593 120.400 0.002 0.000 2.147 312 K HA -0.110 4.228 4.320 0.030 0.000 0.205 312 K C 2.109 178.725 176.600 0.027 0.000 1.049 312 K CA 0.377 56.671 56.287 0.012 0.000 0.936 312 K CB -0.059 32.443 32.500 0.005 0.000 0.722 312 K HN 0.073 nan 8.250 nan 0.000 0.446 313 L N 0.943 122.188 121.223 0.037 0.000 2.095 313 L HA 0.001 4.359 4.340 0.030 0.000 0.204 313 L C 2.257 179.220 176.870 0.157 0.000 1.080 313 L CA 1.462 56.350 54.840 0.080 0.000 0.759 313 L CB -0.543 41.581 42.059 0.108 0.000 0.914 313 L HN 0.074 nan 8.230 nan 0.000 0.439 314 A N -0.116 122.790 122.820 0.143 0.000 1.917 314 A HA -0.298 4.040 4.320 0.030 0.000 0.219 314 A C 2.347 180.014 177.584 0.138 0.000 1.182 314 A CA 2.228 54.358 52.037 0.155 0.000 0.633 314 A CB -0.664 18.399 19.000 0.106 0.000 0.819 314 A HN 0.472 nan 8.150 nan 0.000 0.448 315 K N -0.127 120.326 120.400 0.089 0.000 2.062 315 K HA -0.103 4.235 4.320 0.030 0.000 0.205 315 K C 2.091 178.727 176.600 0.061 0.000 1.051 315 K CA 1.664 57.991 56.287 0.066 0.000 0.941 315 K CB -0.298 32.227 32.500 0.042 0.000 0.719 315 K HN 0.276 nan 8.250 nan 0.000 0.440 316 R N -0.675 119.849 120.500 0.040 0.000 2.081 316 R HA -0.083 4.275 4.340 0.030 0.000 0.235 316 R C 1.900 178.197 176.300 -0.005 0.000 1.131 316 R CA 1.619 57.713 56.100 -0.011 0.000 0.960 316 R CB -1.010 29.251 30.300 -0.065 0.000 0.856 316 R HN 0.299 nan 8.270 nan 0.000 0.436 317 Y N 0.777 121.139 120.300 0.104 0.000 2.224 317 Y HA -0.105 4.464 4.550 0.030 0.000 0.289 317 Y C 2.312 178.301 175.900 0.149 0.000 1.146 317 Y CA 1.831 60.030 58.100 0.165 0.000 1.182 317 Y CB -0.313 38.260 38.460 0.188 0.000 0.983 317 Y HN 0.339 nan 8.280 nan 0.000 0.524 318 E N 0.010 120.351 120.200 0.236 0.000 2.072 318 E HA -0.193 4.175 4.350 0.030 0.000 0.191 318 E C 1.433 178.093 176.600 0.100 0.000 0.985 318 E CA 1.358 57.854 56.400 0.160 0.000 0.801 318 E CB 0.020 29.784 29.700 0.105 0.000 0.750 318 E HN 0.368 nan 8.360 nan 0.000 0.452 319 D N 0.867 121.294 120.400 0.045 0.000 2.104 319 D HA -0.197 4.461 4.640 0.030 0.000 0.194 319 D C 2.150 178.375 176.300 -0.125 0.000 0.994 319 D CA 1.050 55.039 54.000 -0.018 0.000 0.830 319 D CB -0.383 40.401 40.800 -0.026 0.000 0.959 319 D HN 0.264 nan 8.370 nan 0.000 0.452 320 L N -0.717 120.393 121.223 -0.188 0.000 2.042 320 L HA -0.153 4.205 4.340 0.030 0.000 0.210 320 L C 2.386 178.617 176.870 -1.065 0.000 1.076 320 L CA 0.958 55.411 54.840 -0.645 0.000 0.749 320 L CB -0.381 41.328 42.059 -0.583 0.000 0.893 320 L HN -0.049 nan 8.230 nan 0.000 0.432 321 F N 0.043 119.692 119.950 -0.502 0.000 2.293 321 F HA -0.091 4.453 4.527 0.028 0.000 0.297 321 F C 2.412 178.202 175.800 -0.017 0.000 1.089 321 F CA 0.966 58.824 58.000 -0.237 0.000 1.377 321 F CB -0.132 38.917 39.000 0.083 0.000 1.051 321 F HN -0.131 nan 8.300 nan 0.000 0.511 322 K N -0.072 120.403 120.400 0.124 0.000 2.059 322 K HA -0.260 4.078 4.320 0.030 0.000 0.212 322 K C 1.927 178.555 176.600 0.047 0.000 1.050 322 K CA 1.784 58.125 56.287 0.090 0.000 0.927 322 K CB -0.664 31.866 32.500 0.050 0.000 0.714 322 K HN 0.163 nan 8.250 nan 0.000 0.447 323 L N 0.441 121.619 121.223 -0.074 0.000 2.017 323 L HA -0.156 4.202 4.340 0.030 0.000 0.208 323 L C 1.958 178.943 176.870 0.192 0.000 1.073 323 L CA 1.750 56.590 54.840 0.001 0.000 0.745 323 L CB -0.454 41.547 42.059 -0.097 0.000 0.894 323 L HN 0.043 nan 8.230 nan 0.000 0.432 324 F N -0.495 119.463 119.950 0.013 0.000 2.186 324 F HA -0.096 4.451 4.527 0.033 0.000 0.299 324 F C 2.448 178.463 175.800 0.358 0.000 1.090 324 F CA 0.831 58.840 58.000 0.015 0.000 1.307 324 F CB -1.034 37.723 39.000 -0.404 0.000 1.019 324 F HN 0.074 nan 8.300 nan 0.000 0.489 325 I N -0.223 120.660 120.570 0.522 0.000 2.233 325 I HA -0.267 3.921 4.170 0.030 0.000 0.243 325 I C 2.566 178.805 176.117 0.204 0.000 1.093 325 I CA 1.070 62.594 61.300 0.374 0.000 1.380 325 I CB -0.452 37.723 38.000 0.292 0.000 1.067 325 I HN 0.018 nan 8.210 nan 0.000 0.413 326 K N 0.300 120.765 120.400 0.110 0.000 2.107 326 K HA -0.230 4.108 4.320 0.030 0.000 0.211 326 K C 1.048 177.523 176.600 -0.208 0.000 1.049 326 K CA 1.560 57.786 56.287 -0.102 0.000 0.927 326 K CB -0.066 32.295 32.500 -0.232 0.000 0.714 326 K HN 0.452 nan 8.250 nan 0.000 0.452 327 H N -0.933 118.258 119.070 0.202 0.000 2.467 327 H HA 0.126 4.699 4.556 0.029 0.000 0.275 327 H C 1.033 176.493 175.328 0.219 0.000 1.131 327 H CA 0.268 56.429 56.048 0.187 0.000 0.989 327 H CB 0.698 30.574 29.762 0.191 0.000 1.696 327 H HN 0.231 nan 8.280 nan 0.000 0.574 328 S N 0.026 115.911 115.700 0.308 0.000 2.555 328 S HA -0.137 4.351 4.470 0.030 0.000 0.230 328 S C 1.548 176.268 174.600 0.199 0.000 0.978 328 S CA 0.625 59.021 58.200 0.327 0.000 0.934 328 S CB -0.027 63.329 63.200 0.260 0.000 0.766 328 S HN 0.497 nan 8.310 nan 0.000 0.533 329 D N 1.842 122.334 120.400 0.154 0.000 2.310 329 D HA -0.135 4.523 4.640 0.030 0.000 0.212 329 D C 1.382 177.754 176.300 0.120 0.000 0.965 329 D CA 0.810 54.878 54.000 0.114 0.000 0.879 329 D CB -0.102 40.756 40.800 0.098 0.000 0.921 329 D HN 0.467 nan 8.370 nan 0.000 0.510 330 K N -0.317 120.178 120.400 0.158 0.000 2.399 330 K HA 0.274 4.612 4.320 0.030 0.000 0.196 330 K C 0.685 177.335 176.600 0.083 0.000 1.117 330 K CA -0.073 56.291 56.287 0.128 0.000 0.965 330 K CB 1.297 33.889 32.500 0.154 0.000 0.983 330 K HN 0.090 nan 8.250 nan 0.000 0.531 331 I N 2.388 123.027 120.570 0.115 0.000 2.304 331 I HA 0.033 4.221 4.170 0.030 0.000 0.291 331 I C 0.147 176.260 176.117 -0.008 0.000 1.018 331 I CA -0.212 61.101 61.300 0.020 0.000 1.260 331 I CB 1.319 39.342 38.000 0.039 0.000 1.390 331 I HN -0.025 nan 8.210 nan 0.000 0.475 332 D N 4.647 124.888 120.400 -0.264 0.000 2.289 332 D HA 0.038 4.696 4.640 0.030 0.000 0.207 332 D C 0.697 176.896 176.300 -0.169 0.000 0.966 332 D CA 0.922 54.766 54.000 -0.261 0.000 0.868 332 D CB 0.315 40.801 40.800 -0.524 0.000 0.943 332 D HN 0.456 nan 8.370 nan 0.000 0.514 333 R N -0.619 119.727 120.500 -0.257 0.000 2.634 333 R HA 0.425 4.784 4.340 0.030 0.000 0.263 333 R C -2.282 173.820 176.300 -0.330 0.000 1.060 333 R CA -0.525 55.491 56.100 -0.140 0.000 0.898 333 R CB 1.348 31.645 30.300 -0.006 0.000 1.253 333 R HN -0.247 nan 8.270 nan 0.000 0.461 334 V N 2.699 122.389 119.914 -0.372 0.000 2.380 334 V HA 0.376 4.514 4.120 0.030 0.000 0.286 334 V C -0.521 175.445 176.094 -0.213 0.000 1.015 334 V CA -0.565 61.427 62.300 -0.513 0.000 0.834 334 V CB 1.681 32.919 31.823 -0.976 0.000 1.009 334 V HN 0.790 nan 8.190 nan 0.000 0.428 335 T N 5.355 119.816 114.554 -0.154 0.000 2.824 335 T HA 0.676 5.044 4.350 0.030 0.000 0.280 335 T C -0.459 174.189 174.700 -0.086 0.000 0.995 335 T CA -0.079 62.017 62.100 -0.007 0.000 1.009 335 T CB 0.750 69.658 68.868 0.066 0.000 0.955 335 T HN 0.265 nan 8.240 nan 0.000 0.452 336 F N 1.197 121.243 119.950 0.159 0.000 2.379 336 F HA 0.320 4.864 4.527 0.028 0.000 0.332 336 F C 0.673 176.579 175.800 0.177 0.000 1.096 336 F CA -0.896 57.235 58.000 0.217 0.000 1.105 336 F CB 0.902 40.047 39.000 0.240 0.000 1.189 336 F HN 0.580 nan 8.300 nan 0.000 0.515 337 W N 3.970 125.409 121.300 0.233 0.000 1.694 337 W HA 0.463 5.140 4.660 0.027 0.000 0.425 337 W C -0.054 176.570 176.519 0.175 0.000 0.615 337 W CA 0.156 57.570 57.345 0.115 0.000 2.237 337 W CB -0.145 29.389 29.460 0.123 0.000 1.478 337 W HN 0.672 nan 8.180 nan 0.000 0.427 338 G N -0.286 108.458 108.800 -0.093 0.000 2.339 338 G HA2 -0.032 3.947 3.960 0.030 0.000 0.381 338 G HA3 -0.032 3.947 3.960 0.030 0.000 0.381 338 G C -0.652 174.235 174.900 -0.021 0.000 1.400 338 G CA -0.574 44.475 45.100 -0.084 0.000 1.002 338 G HN -0.025 nan 8.290 nan 0.000 0.633 339 V N 0.094 119.973 119.914 -0.057 0.000 2.599 339 V HA 0.361 4.499 4.120 0.030 0.000 0.237 339 V C 1.513 177.681 176.094 0.123 0.000 1.081 339 V CA 2.035 64.329 62.300 -0.010 0.000 1.107 339 V CB 0.050 31.809 31.823 -0.107 0.000 0.808 339 V HN 1.361 nan 8.190 nan 0.000 0.486 340 S N -0.787 114.965 115.700 0.086 0.000 2.638 340 S HA 0.402 4.890 4.470 0.030 0.000 0.302 340 S C 0.190 174.861 174.600 0.119 0.000 1.096 340 S CA -0.597 57.684 58.200 0.136 0.000 0.953 340 S CB 1.874 65.136 63.200 0.104 0.000 1.107 340 S HN 0.191 nan 8.310 nan 0.000 0.503 341 D N 1.940 122.414 120.400 0.124 0.000 2.116 341 D HA -0.174 4.484 4.640 0.030 0.000 0.193 341 D C 1.666 177.987 176.300 0.036 0.000 0.998 341 D CA 1.886 55.937 54.000 0.084 0.000 0.836 341 D CB -0.506 40.325 40.800 0.051 0.000 0.951 341 D HN 0.857 nan 8.370 nan 0.000 0.449 342 D N 0.574 120.992 120.400 0.030 0.000 2.315 342 D HA -0.144 4.514 4.640 0.030 0.000 0.211 342 D C 1.037 177.356 176.300 0.031 0.000 0.977 342 D CA 1.243 55.253 54.000 0.017 0.000 0.894 342 D CB -0.046 40.766 40.800 0.021 0.000 0.910 342 D HN 0.234 nan 8.370 nan 0.000 0.490 343 A N -0.264 122.586 122.820 0.049 0.000 2.609 343 A HA 0.276 4.614 4.320 0.030 0.000 0.286 343 A C 0.572 178.218 177.584 0.104 0.000 1.138 343 A CA -0.386 51.681 52.037 0.052 0.000 0.960 343 A CB 0.425 19.433 19.000 0.013 0.000 1.208 343 A HN 0.113 nan 8.150 nan 0.000 0.541 344 S N 0.546 116.336 115.700 0.150 0.000 2.545 344 S HA 0.292 4.780 4.470 0.030 0.000 0.275 344 S C 1.104 175.887 174.600 0.304 0.000 1.299 344 S CA -0.366 57.993 58.200 0.266 0.000 1.048 344 S CB 0.198 63.540 63.200 0.237 0.000 0.938 344 S HN 0.651 nan 8.310 nan 0.000 0.496 345 W N 5.867 127.280 121.300 0.188 0.000 2.519 345 W HA 0.009 4.688 4.660 0.033 0.000 0.266 345 W C 0.540 177.194 176.519 0.225 0.000 1.253 345 W CA 0.396 57.861 57.345 0.201 0.000 1.274 345 W CB -1.062 28.556 29.460 0.264 0.000 1.114 345 W HN 0.594 nan 8.180 nan 0.000 0.596 346 L N 1.772 122.748 121.223 -0.411 0.000 2.551 346 L HA -0.115 4.243 4.340 0.030 0.000 0.228 346 L C 2.076 178.872 176.870 -0.122 0.000 1.153 346 L CA 0.607 55.197 54.840 -0.417 0.000 0.851 346 L CB -0.860 41.055 42.059 -0.239 0.000 0.959 346 L HN -0.073 nan 8.230 nan 0.000 0.451 347 N N 0.206 118.892 118.700 -0.023 0.000 2.244 347 N HA -0.131 4.627 4.740 0.030 0.000 0.183 347 N C 0.980 176.505 175.510 0.026 0.000 1.016 347 N CA 1.152 54.206 53.050 0.006 0.000 0.866 347 N CB 0.035 38.534 38.487 0.019 0.000 0.980 347 N HN 0.375 nan 8.380 nan 0.000 0.430 348 D N -1.385 119.042 120.400 0.045 0.000 2.407 348 D HA 0.080 4.738 4.640 0.030 0.000 0.208 348 D C -0.503 175.847 176.300 0.084 0.000 1.083 348 D CA -0.049 53.996 54.000 0.075 0.000 0.844 348 D CB 0.509 41.377 40.800 0.114 0.000 0.967 348 D HN 0.072 nan 8.370 nan 0.000 0.506 349 F N 1.322 121.160 119.950 -0.188 0.000 2.493 349 F HA 0.202 4.748 4.527 0.032 0.000 0.329 349 F C 1.162 176.773 175.800 -0.314 0.000 1.126 349 F CA -0.668 57.171 58.000 -0.269 0.000 0.937 349 F CB 1.720 40.432 39.000 -0.480 0.000 1.146 349 F HN -0.282 nan 8.300 nan 0.000 0.442 350 S N 3.827 119.230 115.700 -0.495 0.000 2.524 350 S HA 0.293 4.781 4.470 0.030 0.000 0.216 350 S C 0.292 174.649 174.600 -0.404 0.000 0.987 350 S CA 0.114 57.743 58.200 -0.953 0.000 0.909 350 S CB -0.159 62.416 63.200 -1.042 0.000 0.781 350 S HN 0.438 nan 8.310 nan 0.000 0.521 351 I N 3.889 124.337 120.570 -0.202 0.000 2.339 351 I HA 0.366 4.554 4.170 0.030 0.000 0.290 351 I C -2.489 173.648 176.117 0.034 0.000 0.994 351 I CA -2.799 58.470 61.300 -0.052 0.000 1.191 351 I CB 1.663 39.617 38.000 -0.077 0.000 1.343 351 I HN -0.090 nan 8.210 nan 0.000 0.458 352 P HA -0.001 nan 4.420 nan 0.000 0.266 352 P C 0.715 178.089 177.300 0.123 0.000 1.193 352 P CA 0.446 63.596 63.100 0.084 0.000 0.770 352 P CB 0.557 32.294 31.700 0.061 0.000 0.836 353 G N 1.849 110.689 108.800 0.067 0.000 2.198 353 G HA2 -0.275 3.703 3.960 0.030 0.000 0.260 353 G HA3 -0.275 3.703 3.960 0.030 0.000 0.260 353 G C 0.290 175.277 174.900 0.146 0.000 1.025 353 G CA -0.128 44.987 45.100 0.025 0.000 0.769 353 G HN 0.591 nan 8.290 nan 0.000 0.507 354 R N -0.522 120.093 120.500 0.191 0.000 2.577 354 R HA 0.494 4.852 4.340 0.030 0.000 0.269 354 R C -0.076 176.274 176.300 0.082 0.000 1.084 354 R CA 0.030 56.242 56.100 0.185 0.000 1.163 354 R CB 0.530 30.881 30.300 0.085 0.000 1.100 354 R HN 0.139 nan 8.270 nan 0.000 0.547 355 T N 1.910 116.507 114.554 0.071 0.000 2.910 355 T HA 0.159 4.527 4.350 0.030 0.000 0.323 355 T C -0.051 174.587 174.700 -0.104 0.000 1.091 355 T CA -0.559 61.517 62.100 -0.041 0.000 0.960 355 T CB 0.075 68.949 68.868 0.010 0.000 1.024 355 T HN 0.331 nan 8.240 nan 0.000 0.509 356 N N 1.648 120.246 118.700 -0.170 0.000 2.478 356 N HA 0.376 5.135 4.740 0.030 0.000 0.275 356 N C -1.185 174.114 175.510 -0.352 0.000 1.221 356 N CA -0.600 52.411 53.050 -0.066 0.000 0.979 356 N CB 0.948 39.456 38.487 0.034 0.000 1.202 356 N HN 0.492 nan 8.380 nan 0.000 0.564 357 Y N -0.303 120.087 120.300 0.149 0.000 2.569 357 Y HA 0.320 4.888 4.550 0.030 0.000 0.310 357 Y C -1.822 174.189 175.900 0.185 0.000 1.021 357 Y CA -0.991 57.194 58.100 0.142 0.000 1.152 357 Y CB 1.452 39.968 38.460 0.093 0.000 1.140 357 Y HN 0.460 nan 8.280 nan 0.000 0.621 358 P HA 0.062 nan 4.420 nan 0.000 0.252 358 P C -0.052 177.554 177.300 0.510 0.000 1.218 358 P CA 0.729 64.056 63.100 0.377 0.000 0.807 358 P CB 1.133 33.050 31.700 0.361 0.000 1.072 359 L N -1.495 119.967 121.223 0.399 0.000 2.267 359 L HA 0.345 4.703 4.340 0.030 0.000 0.264 359 L C 1.559 178.486 176.870 0.095 0.000 1.021 359 L CA -0.883 54.145 54.840 0.313 0.000 0.861 359 L CB -0.244 41.973 42.059 0.263 0.000 1.443 359 L HN -0.243 nan 8.230 nan 0.000 0.475 360 L N -0.383 120.736 121.223 -0.175 0.000 2.446 360 L HA 0.134 4.492 4.340 0.030 0.000 0.219 360 L C -0.369 176.090 176.870 -0.684 0.000 1.116 360 L CA 0.635 55.172 54.840 -0.505 0.000 0.844 360 L CB 0.009 41.587 42.059 -0.803 0.000 0.970 360 L HN 0.247 nan 8.230 nan 0.000 0.457 361 F N 0.000 119.871 119.950 -0.131 0.000 2.508 361 F HA 0.261 4.806 4.527 0.030 0.000 0.325 361 F C 0.399 176.189 175.800 -0.017 0.000 1.090 361 F CA -1.649 56.281 58.000 -0.117 0.000 0.945 361 F CB 1.100 40.012 39.000 -0.147 0.000 1.156 361 F HN -0.085 nan 8.300 nan 0.000 0.463 362 D N 1.275 121.764 120.400 0.148 0.000 2.447 362 D HA 0.178 4.836 4.640 0.030 0.000 0.265 362 D C 0.863 177.236 176.300 0.123 0.000 1.250 362 D CA -0.503 53.581 54.000 0.140 0.000 1.046 362 D CB 0.530 41.406 40.800 0.127 0.000 1.095 362 D HN 0.513 nan 8.370 nan 0.000 0.555 363 R N -1.110 119.455 120.500 0.107 0.000 2.285 363 R HA -0.006 4.352 4.340 0.030 0.000 0.213 363 R C 1.105 177.443 176.300 0.063 0.000 1.068 363 R CA 0.915 57.059 56.100 0.073 0.000 1.004 363 R CB -0.014 30.323 30.300 0.062 0.000 0.873 363 R HN 0.398 nan 8.270 nan 0.000 0.467 364 K N 0.468 120.911 120.400 0.071 0.000 2.437 364 K HA 0.196 4.534 4.320 0.030 0.000 0.205 364 K C 0.029 176.661 176.600 0.054 0.000 1.026 364 K CA -0.019 56.302 56.287 0.056 0.000 1.153 364 K CB 0.582 33.117 32.500 0.058 0.000 0.863 364 K HN 0.038 nan 8.250 nan 0.000 0.502 365 L N 0.116 121.380 121.223 0.068 0.000 4.496 365 L HA -0.274 4.084 4.340 0.030 0.000 0.419 365 L C -0.518 176.435 176.870 0.139 0.000 1.139 365 L CA 0.627 55.507 54.840 0.067 0.000 0.975 365 L CB -1.631 40.414 42.059 -0.024 0.000 2.099 365 L HN 0.339 nan 8.230 nan 0.000 0.818 366 Q N 1.144 121.026 119.800 0.136 0.000 2.243 366 Q HA 0.452 4.810 4.340 0.030 0.000 0.252 366 Q C -1.953 174.078 176.000 0.052 0.000 0.909 366 Q CA -1.765 54.105 55.803 0.111 0.000 0.922 366 Q CB 1.201 29.989 28.738 0.084 0.000 1.215 366 Q HN 0.051 nan 8.270 nan 0.000 0.427 367 P HA 0.219 nan 4.420 nan 0.000 0.276 367 P C -0.675 176.471 177.300 -0.257 0.000 1.244 367 P CA -0.332 62.420 63.100 -0.579 0.000 0.801 367 P CB 1.306 32.232 31.700 -1.290 0.000 1.006 368 K N 0.634 120.846 120.400 -0.312 0.000 2.139 368 K HA 0.179 4.517 4.320 0.030 0.000 0.243 368 K C 1.102 177.742 176.600 0.065 0.000 0.983 368 K CA -0.606 55.651 56.287 -0.049 0.000 0.890 368 K CB 0.418 32.887 32.500 -0.052 0.000 1.090 368 K HN 0.258 nan 8.250 nan 0.000 0.445 369 D N 1.169 121.674 120.400 0.174 0.000 2.154 369 D HA -0.270 4.388 4.640 0.030 0.000 0.190 369 D C 1.697 178.094 176.300 0.162 0.000 1.003 369 D CA 2.075 56.219 54.000 0.239 0.000 0.849 369 D CB -0.428 40.454 40.800 0.136 0.000 0.942 369 D HN 0.662 nan 8.370 nan 0.000 0.446 370 A N -0.060 122.811 122.820 0.085 0.000 1.997 370 A HA -0.281 4.057 4.320 0.030 0.000 0.221 370 A C 2.189 179.699 177.584 -0.123 0.000 1.172 370 A CA 1.853 53.920 52.037 0.050 0.000 0.645 370 A CB -1.107 17.995 19.000 0.170 0.000 0.813 370 A HN 0.424 nan 8.150 nan 0.000 0.454 371 Y N -0.389 119.668 120.300 -0.406 0.000 2.114 371 Y HA -0.210 4.357 4.550 0.028 0.000 0.284 371 Y C 1.922 177.504 175.900 -0.530 0.000 1.143 371 Y CA 2.156 59.867 58.100 -0.647 0.000 1.135 371 Y CB -0.559 37.284 38.460 -1.028 0.000 0.980 371 Y HN 0.286 nan 8.280 nan 0.000 0.499 372 F N 0.033 119.887 119.950 -0.160 0.000 2.186 372 F HA -0.123 4.422 4.527 0.032 0.000 0.299 372 F C 2.360 178.060 175.800 -0.167 0.000 1.090 372 F CA 1.081 58.972 58.000 -0.181 0.000 1.307 372 F CB -0.672 38.306 39.000 -0.037 0.000 1.019 372 F HN -0.096 nan 8.300 nan 0.000 0.489 373 R N 0.272 120.798 120.500 0.042 0.000 2.096 373 R HA -0.173 4.185 4.340 0.030 0.000 0.240 373 R C 2.115 178.384 176.300 -0.052 0.000 1.139 373 R CA 1.225 57.333 56.100 0.014 0.000 0.952 373 R CB -1.270 29.055 30.300 0.042 0.000 0.854 373 R HN 0.292 nan 8.270 nan 0.000 0.436 374 L N 0.483 121.610 121.223 -0.159 0.000 2.156 374 L HA -0.028 4.330 4.340 0.030 0.000 0.208 374 L C 2.402 179.164 176.870 -0.181 0.000 1.095 374 L CA 1.144 55.868 54.840 -0.194 0.000 0.770 374 L CB -0.578 41.218 42.059 -0.437 0.000 0.914 374 L HN 0.092 nan 8.230 nan 0.000 0.439 375 L N -1.097 119.929 121.223 -0.329 0.000 2.027 375 L HA -0.193 4.165 4.340 0.030 0.000 0.206 375 L C 2.174 178.944 176.870 -0.166 0.000 1.074 375 L CA 1.033 55.708 54.840 -0.276 0.000 0.745 375 L CB -0.591 41.266 42.059 -0.336 0.000 0.898 375 L HN 0.211 nan 8.230 nan 0.000 0.433 376 D N 0.278 120.616 120.400 -0.105 0.000 2.203 376 D HA -0.201 4.457 4.640 0.030 0.000 0.199 376 D C 2.325 178.577 176.300 -0.080 0.000 0.997 376 D CA 1.207 55.165 54.000 -0.070 0.000 0.863 376 D CB -0.128 40.657 40.800 -0.025 0.000 0.928 376 D HN 0.261 nan 8.370 nan 0.000 0.458 377 L N 0.155 121.340 121.223 -0.064 0.000 2.131 377 L HA -0.168 4.190 4.340 0.030 0.000 0.210 377 L C 2.335 179.142 176.870 -0.105 0.000 1.092 377 L CA 1.002 55.820 54.840 -0.036 0.000 0.759 377 L CB -0.117 41.978 42.059 0.059 0.000 0.903 377 L HN -0.056 nan 8.230 nan 0.000 0.435 378 K N -0.493 119.788 120.400 -0.197 0.000 2.168 378 K HA -0.025 4.313 4.320 0.030 0.000 0.201 378 K C 2.102 178.577 176.600 -0.207 0.000 1.049 378 K CA 0.507 56.627 56.287 -0.280 0.000 0.974 378 K CB -0.140 32.035 32.500 -0.541 0.000 0.792 378 K HN 0.040 nan 8.250 nan 0.000 0.463 379 R N 1.155 121.546 120.500 -0.183 0.000 2.094 379 R HA -0.021 4.337 4.340 0.030 0.000 0.239 379 R C 1.897 178.096 176.300 -0.169 0.000 1.137 379 R CA 1.350 57.363 56.100 -0.146 0.000 0.943 379 R CB -0.375 29.857 30.300 -0.114 0.000 0.850 379 R HN 0.043 nan 8.270 nan 0.000 0.433 380 L N 0.704 121.818 121.223 -0.182 0.000 2.611 380 L HA 0.163 4.521 4.340 0.030 0.000 0.229 380 L C 0.354 176.972 176.870 -0.419 0.000 1.137 380 L CA -0.241 54.448 54.840 -0.253 0.000 0.901 380 L CB -0.136 41.824 42.059 -0.165 0.000 1.098 380 L HN 0.269 nan 8.230 nan 0.000 0.456 381 E N 0.291 120.286 120.200 -0.341 0.000 2.413 381 E HA -0.027 4.341 4.350 0.030 0.000 0.263 381 E C -0.638 175.577 176.600 -0.642 0.000 1.015 381 E CA -0.051 56.133 56.400 -0.359 0.000 0.916 381 E CB 0.430 30.011 29.700 -0.198 0.000 0.947 381 E HN 0.253 nan 8.360 nan 0.000 0.440 382 H N 2.476 121.338 119.070 -0.347 0.000 2.519 382 H HA 0.287 4.862 4.556 0.030 0.000 0.316 382 H C -0.827 174.279 175.328 -0.370 0.000 1.065 382 H CA -0.468 55.369 56.048 -0.352 0.000 1.264 382 H CB 0.742 30.411 29.762 -0.154 0.000 1.413 382 H HN 0.479 nan 8.280 nan 0.000 0.465 383 H N 0.000 119.116 119.070 0.077 0.000 2.539 383 H HA 0.000 4.575 4.556 0.031 0.000 0.296 383 H CA 0.000 56.072 56.048 0.039 0.000 1.023 383 H CB 0.000 29.765 29.762 0.005 0.000 1.292 383 H HN 0.000 nan 8.280 nan 0.000 0.496