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 2v36_1_A DATA FIRST_RESID 34 DATA SEQUENCE SYDEYKQVDV GKDGMVATAH PLASEIGADV LKKGGNAIDA AVAIQFALNV DATA SEQUENCE TEPMMSGIGG GGFMMVYDGK TKDTTIIDSR ERAPAGATPD MFLDENGKAI DATA SEQUENCE PFSERVTKGT AVGVPGTLKG LEEALDKWGT RSMKQLITPS IKLAEKGFPI DATA SEQUENCE DSVLAEAISD YQEKLSRTAA KDVFLPNGEP LKEGDTLIQK DLAKTFKLIR DATA SEQUENCE SKGTDAFYKG KFAKTLSDTV QDFGGSMTEK DLENYDITID EPIWGDYQGY DATA SEQUENCE QIATTPPPSS GGIFLLQMPK ILDHFNLSXX DVRSWEKYQL LAETMHLSYA DATA SEQUENCE DRASYAGDPE FVNVPLKGLL HPDYIKERQQ LINLDQVNKK PKAGDPWKYQ DATA SEQUENCE EGSANYKQVE Q 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 S HA 0.000 nan 4.470 nan 0.000 0.327 34 S C 0.000 174.674 174.600 0.123 0.000 1.055 34 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 34 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 35 Y N 0.945 121.359 120.300 0.190 0.000 2.333 35 Y HA -0.130 4.421 4.550 0.001 0.000 0.290 35 Y C 2.733 178.758 175.900 0.209 0.000 1.144 35 Y CA 1.493 59.710 58.100 0.195 0.000 1.228 35 Y CB -0.263 38.208 38.460 0.018 0.000 0.985 35 Y HN 0.904 nan 8.280 nan 0.000 0.542 36 D N 0.751 121.304 120.400 0.255 0.000 2.182 36 D HA -0.173 4.468 4.640 0.001 0.000 0.201 36 D C 1.876 178.257 176.300 0.135 0.000 0.986 36 D CA 1.549 55.644 54.000 0.159 0.000 0.847 36 D CB -0.710 40.146 40.800 0.093 0.000 0.942 36 D HN 0.595 nan 8.370 nan 0.000 0.467 37 E N -1.263 119.009 120.200 0.119 0.000 2.481 37 E HA 0.260 4.610 4.350 0.001 0.000 0.195 37 E C 0.396 176.959 176.600 -0.061 0.000 1.047 37 E CA -0.267 56.133 56.400 0.000 0.000 0.867 37 E CB -0.687 28.966 29.700 -0.078 0.000 0.858 37 E HN 0.777 nan 8.360 nan 0.000 0.513 38 Y N 0.580 120.915 120.300 0.059 0.000 2.314 38 Y HA 0.353 4.904 4.550 0.001 0.000 0.334 38 Y C 0.836 176.753 175.900 0.029 0.000 1.266 38 Y CA -0.194 57.935 58.100 0.049 0.000 1.391 38 Y CB 1.150 39.647 38.460 0.062 0.000 1.306 38 Y HN -0.059 nan 8.280 nan 0.000 0.558 39 K N 1.462 121.956 120.400 0.157 0.000 2.172 39 K HA 0.183 4.504 4.320 0.001 0.000 0.276 39 K C 0.136 176.789 176.600 0.089 0.000 1.013 39 K CA -0.474 55.865 56.287 0.086 0.000 0.913 39 K CB 1.022 33.556 32.500 0.055 0.000 1.055 39 K HN 0.670 nan 8.250 nan 0.000 0.461 40 Q N 0.740 120.574 119.800 0.056 0.000 2.403 40 Q HA 0.067 4.408 4.340 0.001 0.000 0.203 40 Q C -0.240 175.774 176.000 0.024 0.000 0.932 40 Q CA 0.239 56.063 55.803 0.034 0.000 0.945 40 Q CB 0.381 29.132 28.738 0.023 0.000 1.045 40 Q HN 0.227 nan 8.270 nan 0.000 0.511 41 V N 0.741 120.670 119.914 0.025 0.000 2.623 41 V HA 0.361 4.482 4.120 0.001 0.000 0.304 41 V C -1.041 175.065 176.094 0.021 0.000 1.054 41 V CA -0.887 61.424 62.300 0.018 0.000 0.882 41 V CB 2.191 34.021 31.823 0.012 0.000 1.002 41 V HN -0.029 nan 8.190 nan 0.000 0.424 42 D N 2.073 122.485 120.400 0.019 0.000 2.552 42 D HA 0.788 5.429 4.640 0.001 0.000 0.239 42 D C -1.294 175.014 176.300 0.013 0.000 1.139 42 D CA -0.187 53.824 54.000 0.019 0.000 0.914 42 D CB 2.681 43.497 40.800 0.027 0.000 1.461 42 D HN 0.303 nan 8.370 nan 0.000 0.462 43 V N 0.222 120.143 119.914 0.012 0.000 2.823 43 V HA 0.975 5.096 4.120 0.001 0.000 0.312 43 V C 0.466 176.566 176.094 0.011 0.000 1.072 43 V CA -0.584 61.722 62.300 0.010 0.000 0.937 43 V CB 1.827 33.654 31.823 0.008 0.000 1.013 43 V HN 0.662 nan 8.190 nan 0.000 0.430 44 G N 1.639 110.445 108.800 0.010 0.000 2.690 44 G HA2 0.566 4.527 3.960 0.001 0.000 0.293 44 G HA3 0.566 4.527 3.960 0.001 0.000 0.293 44 G C -0.184 174.721 174.900 0.010 0.000 1.399 44 G CA -0.337 44.769 45.100 0.011 0.000 0.890 44 G HN 0.775 nan 8.290 nan 0.000 0.485 45 K N -1.239 119.168 120.400 0.010 0.000 2.354 45 K HA 0.251 4.572 4.320 0.001 0.000 0.194 45 K C -0.186 176.421 176.600 0.012 0.000 1.038 45 K CA 0.293 56.586 56.287 0.010 0.000 1.052 45 K CB 0.771 33.276 32.500 0.009 0.000 0.861 45 K HN 0.229 nan 8.250 nan 0.000 0.535 46 D N 1.067 121.475 120.400 0.012 0.000 2.501 46 D HA 0.192 4.833 4.640 0.001 0.000 0.224 46 D C -0.059 176.249 176.300 0.014 0.000 1.202 46 D CA 0.217 54.225 54.000 0.014 0.000 0.829 46 D CB 1.366 42.174 40.800 0.014 0.000 1.023 46 D HN 0.388 nan 8.370 nan 0.000 0.499 47 G N 1.219 110.026 108.800 0.013 0.000 2.312 47 G HA2 0.301 4.262 3.960 0.001 0.000 0.322 47 G HA3 0.301 4.262 3.960 0.001 0.000 0.322 47 G C -1.661 173.247 174.900 0.012 0.000 1.645 47 G CA -1.011 44.097 45.100 0.013 0.000 0.919 47 G HN -0.009 nan 8.290 nan 0.000 0.699 48 M N 1.632 121.238 119.600 0.010 0.000 2.365 48 M HA 0.750 5.230 4.480 0.001 0.000 0.287 48 M C -1.610 174.695 176.300 0.009 0.000 1.154 48 M CA -0.649 54.657 55.300 0.011 0.000 0.941 48 M CB 2.302 34.906 32.600 0.006 0.000 1.704 48 M HN 0.835 nan 8.290 nan 0.000 0.479 49 V N 3.276 123.199 119.914 0.015 0.000 2.680 49 V HA 1.017 5.137 4.120 0.001 0.000 0.309 49 V C -0.818 175.284 176.094 0.013 0.000 1.052 49 V CA -0.476 61.832 62.300 0.013 0.000 0.908 49 V CB 1.851 33.688 31.823 0.022 0.000 1.001 49 V HN 1.006 nan 8.190 nan 0.000 0.431 50 A N 2.965 125.788 122.820 0.004 0.000 2.402 50 A HA 0.889 5.209 4.320 0.001 0.000 0.291 50 A C -0.316 177.264 177.584 -0.006 0.000 1.051 50 A CA -0.078 51.960 52.037 0.002 0.000 0.716 50 A CB 1.778 20.776 19.000 -0.003 0.000 1.223 50 A HN 1.026 nan 8.150 nan 0.000 0.425 51 T N -1.679 112.871 114.554 -0.008 0.000 2.812 51 T HA 0.678 5.029 4.350 0.001 0.000 0.294 51 T C 0.648 175.334 174.700 -0.023 0.000 1.159 51 T CA 0.163 62.255 62.100 -0.013 0.000 1.008 51 T CB 1.505 70.368 68.868 -0.008 0.000 1.289 51 T HN 1.541 nan 8.240 nan 0.000 0.514 52 A N 0.203 123.012 122.820 -0.018 0.000 2.238 52 A HA 0.231 4.551 4.320 0.001 0.000 0.208 52 A C 0.757 178.314 177.584 -0.045 0.000 1.177 52 A CA 0.340 52.358 52.037 -0.031 0.000 0.804 52 A CB -0.728 18.262 19.000 -0.018 0.000 0.823 52 A HN 0.864 nan 8.150 nan 0.000 0.482 53 H N -1.215 117.768 119.070 -0.145 0.000 2.877 53 H HA 0.296 4.852 4.556 0.001 0.000 0.347 53 H C -2.594 172.577 175.328 -0.261 0.000 1.042 53 H CA -1.532 54.380 56.048 -0.227 0.000 1.276 53 H CB 2.342 31.976 29.762 -0.214 0.000 1.681 53 H HN -0.068 nan 8.280 nan 0.000 0.521 54 P HA -0.154 nan 4.420 nan 0.000 0.216 54 P C 1.547 178.745 177.300 -0.170 0.000 1.150 54 P CA 0.637 63.411 63.100 -0.543 0.000 0.837 54 P CB 0.515 31.464 31.700 -1.251 0.000 0.786 55 L N -0.925 120.389 121.223 0.151 0.000 2.156 55 L HA -0.007 4.333 4.340 0.001 0.000 0.208 55 L C 2.373 179.260 176.870 0.028 0.000 1.095 55 L CA 1.535 56.444 54.840 0.115 0.000 0.770 55 L CB -2.010 40.095 42.059 0.076 0.000 0.914 55 L HN -0.091 nan 8.230 nan 0.000 0.439 56 A N -1.409 121.413 122.820 0.004 0.000 1.898 56 A HA -0.159 4.161 4.320 0.001 0.000 0.216 56 A C 2.503 180.096 177.584 0.015 0.000 1.181 56 A CA 1.828 53.856 52.037 -0.016 0.000 0.620 56 A CB -0.657 18.323 19.000 -0.033 0.000 0.819 56 A HN 0.406 nan 8.150 nan 0.000 0.442 57 S N -0.147 115.564 115.700 0.019 0.000 2.370 57 S HA -0.149 4.321 4.470 0.001 0.000 0.226 57 S C 1.920 176.562 174.600 0.070 0.000 1.033 57 S CA 1.345 59.567 58.200 0.037 0.000 1.011 57 S CB -0.288 62.933 63.200 0.035 0.000 0.852 57 S HN 0.573 nan 8.310 nan 0.000 0.457 58 E N 0.975 121.233 120.200 0.097 0.000 2.051 58 E HA -0.070 4.280 4.350 0.001 0.000 0.192 58 E C 2.075 178.724 176.600 0.081 0.000 0.991 58 E CA 0.793 57.268 56.400 0.125 0.000 0.799 58 E CB -0.376 29.419 29.700 0.158 0.000 0.748 58 E HN 0.502 nan 8.360 nan 0.000 0.449 59 I N 0.681 121.288 120.570 0.061 0.000 2.179 59 I HA -0.216 3.955 4.170 0.001 0.000 0.242 59 I C 2.527 178.670 176.117 0.044 0.000 1.088 59 I CA 1.417 62.746 61.300 0.048 0.000 1.357 59 I CB -0.552 37.471 38.000 0.038 0.000 1.051 59 I HN 0.129 nan 8.210 nan 0.000 0.409 60 G N 0.283 109.106 108.800 0.038 0.000 2.446 60 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 60 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 60 G C 1.838 176.758 174.900 0.034 0.000 1.168 60 G CA 0.859 45.977 45.100 0.031 0.000 0.771 60 G HN 0.504 nan 8.290 nan 0.000 0.551 61 A N 0.987 123.832 122.820 0.042 0.000 1.933 61 A HA -0.050 4.270 4.320 0.001 0.000 0.218 61 A C 2.099 179.707 177.584 0.040 0.000 1.175 61 A CA 2.118 54.180 52.037 0.042 0.000 0.628 61 A CB -0.428 18.605 19.000 0.054 0.000 0.814 61 A HN 0.283 nan 8.150 nan 0.000 0.444 62 D N -0.212 120.214 120.400 0.044 0.000 2.123 62 D HA -0.118 4.523 4.640 0.001 0.000 0.196 62 D C 2.052 178.371 176.300 0.033 0.000 0.992 62 D CA 1.429 55.452 54.000 0.039 0.000 0.833 62 D CB -0.492 40.333 40.800 0.042 0.000 0.954 62 D HN 0.206 nan 8.370 nan 0.000 0.455 63 V N 1.035 120.969 119.914 0.033 0.000 2.287 63 V HA -0.230 3.890 4.120 0.001 0.000 0.248 63 V C 2.643 178.753 176.094 0.027 0.000 1.053 63 V CA 1.197 63.516 62.300 0.031 0.000 1.027 63 V CB -0.463 31.380 31.823 0.033 0.000 0.646 63 V HN 0.226 nan 8.190 nan 0.000 0.447 64 L N -0.585 120.654 121.223 0.026 0.000 2.017 64 L HA -0.223 4.118 4.340 0.001 0.000 0.208 64 L C 2.596 179.480 176.870 0.023 0.000 1.073 64 L CA 1.789 56.643 54.840 0.023 0.000 0.745 64 L CB -0.729 41.342 42.059 0.021 0.000 0.894 64 L HN 0.289 nan 8.230 nan 0.000 0.432 65 K N 0.205 120.619 120.400 0.024 0.000 2.127 65 K HA -0.221 4.100 4.320 0.001 0.000 0.208 65 K C 1.706 178.319 176.600 0.021 0.000 1.047 65 K CA 1.521 57.822 56.287 0.023 0.000 0.927 65 K CB -0.071 32.444 32.500 0.025 0.000 0.716 65 K HN 0.269 nan 8.250 nan 0.000 0.450 66 K N -1.364 119.049 120.400 0.022 0.000 2.373 66 K HA 0.087 4.408 4.320 0.001 0.000 0.202 66 K C 0.463 177.075 176.600 0.020 0.000 1.025 66 K CA 0.451 56.751 56.287 0.021 0.000 1.115 66 K CB 1.448 33.961 32.500 0.022 0.000 0.858 66 K HN 0.346 nan 8.250 nan 0.000 0.525 67 G N 1.006 109.819 108.800 0.021 0.000 2.179 67 G HA2 -0.207 3.753 3.960 0.001 0.000 0.220 67 G HA3 -0.207 3.753 3.960 0.001 0.000 0.220 67 G C 0.410 175.324 174.900 0.023 0.000 0.990 67 G CA -0.367 44.745 45.100 0.021 0.000 0.646 67 G HN 0.433 nan 8.290 nan 0.000 0.517 68 G N 0.412 109.227 108.800 0.025 0.000 2.559 68 G HA2 0.410 4.371 3.960 0.001 0.000 0.235 68 G HA3 0.410 4.371 3.960 0.001 0.000 0.235 68 G C 0.588 175.504 174.900 0.027 0.000 1.266 68 G CA 0.423 45.541 45.100 0.029 0.000 0.847 68 G HN 1.078 nan 8.290 nan 0.000 0.583 69 N N 0.228 118.946 118.700 0.030 0.000 2.327 69 N HA 0.291 5.031 4.740 0.001 0.000 0.257 69 N C 1.593 177.109 175.510 0.010 0.000 1.281 69 N CA -0.137 52.925 53.050 0.021 0.000 0.942 69 N CB 0.827 39.329 38.487 0.025 0.000 1.199 69 N HN 0.373 nan 8.380 nan 0.000 0.532 70 A N 0.219 123.032 122.820 -0.012 0.000 1.972 70 A HA -0.101 4.220 4.320 0.001 0.000 0.219 70 A C 2.108 179.671 177.584 -0.035 0.000 1.169 70 A CA 1.074 53.094 52.037 -0.029 0.000 0.635 70 A CB -0.708 18.261 19.000 -0.052 0.000 0.810 70 A HN 0.639 nan 8.150 nan 0.000 0.446 71 I N 0.550 121.099 120.570 -0.034 0.000 2.193 71 I HA -0.188 3.983 4.170 0.001 0.000 0.240 71 I C 1.889 178.030 176.117 0.041 0.000 1.084 71 I CA 1.504 62.805 61.300 0.003 0.000 1.365 71 I CB -0.557 37.492 38.000 0.082 0.000 1.064 71 I HN 0.224 nan 8.210 nan 0.000 0.410 72 D N 1.102 121.535 120.400 0.055 0.000 2.126 72 D HA -0.274 4.367 4.640 0.001 0.000 0.190 72 D C 2.255 178.577 176.300 0.037 0.000 1.001 72 D CA 2.039 56.071 54.000 0.052 0.000 0.841 72 D CB -0.400 40.429 40.800 0.049 0.000 0.949 72 D HN 0.418 nan 8.370 nan 0.000 0.446 73 A N 1.004 123.837 122.820 0.023 0.000 1.930 73 A HA 0.031 4.352 4.320 0.001 0.000 0.217 73 A C 2.352 179.940 177.584 0.005 0.000 1.175 73 A CA 2.100 54.148 52.037 0.018 0.000 0.627 73 A CB -0.596 18.412 19.000 0.013 0.000 0.815 73 A HN 0.254 nan 8.150 nan 0.000 0.443 74 A N -0.506 122.308 122.820 -0.010 0.000 1.902 74 A HA -0.006 4.315 4.320 0.001 0.000 0.217 74 A C 2.222 179.773 177.584 -0.055 0.000 1.181 74 A CA 1.793 53.811 52.037 -0.032 0.000 0.623 74 A CB -0.885 18.090 19.000 -0.040 0.000 0.818 74 A HN 0.365 nan 8.150 nan 0.000 0.443 75 V N -0.169 119.720 119.914 -0.042 0.000 2.358 75 V HA -0.234 3.887 4.120 0.001 0.000 0.246 75 V C 3.066 179.131 176.094 -0.049 0.000 1.047 75 V CA 1.872 64.114 62.300 -0.097 0.000 1.035 75 V CB -1.213 30.598 31.823 -0.020 0.000 0.658 75 V HN 0.616 nan 8.190 nan 0.000 0.452 76 A N -0.112 122.747 122.820 0.065 0.000 1.940 76 A HA -0.212 4.108 4.320 0.001 0.000 0.219 76 A C 2.178 179.810 177.584 0.080 0.000 1.176 76 A CA 2.063 54.177 52.037 0.129 0.000 0.631 76 A CB -0.572 18.479 19.000 0.085 0.000 0.814 76 A HN 0.521 nan 8.150 nan 0.000 0.446 77 I N -0.948 119.630 120.570 0.013 0.000 2.179 77 I HA -0.292 3.878 4.170 0.001 0.000 0.242 77 I C 2.761 178.855 176.117 -0.038 0.000 1.088 77 I CA 1.815 63.109 61.300 -0.009 0.000 1.357 77 I CB -0.311 37.678 38.000 -0.019 0.000 1.051 77 I HN 0.429 nan 8.210 nan 0.000 0.409 78 Q N 1.003 120.732 119.800 -0.118 0.000 2.096 78 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 78 Q C 1.964 177.873 176.000 -0.151 0.000 0.982 78 Q CA 2.154 57.842 55.803 -0.191 0.000 0.850 78 Q CB -0.389 28.147 28.738 -0.335 0.000 0.901 78 Q HN 0.393 nan 8.270 nan 0.000 0.422 79 F N -0.036 119.870 119.950 -0.073 0.000 2.134 79 F HA -0.036 4.492 4.527 0.001 0.000 0.299 79 F C 2.330 178.164 175.800 0.056 0.000 1.097 79 F CA 1.050 59.012 58.000 -0.063 0.000 1.264 79 F CB -1.159 37.709 39.000 -0.221 0.000 1.001 79 F HN 0.221 nan 8.300 nan 0.000 0.479 80 A N 0.139 123.061 122.820 0.171 0.000 1.902 80 A HA -0.137 4.183 4.320 0.001 0.000 0.217 80 A C 2.276 179.821 177.584 -0.065 0.000 1.181 80 A CA 1.464 53.523 52.037 0.036 0.000 0.623 80 A CB -1.132 17.861 19.000 -0.011 0.000 0.818 80 A HN 0.385 nan 8.150 nan 0.000 0.443 81 L N -0.223 120.973 121.223 -0.045 0.000 2.083 81 L HA -0.186 4.155 4.340 0.001 0.000 0.209 81 L C 2.526 179.379 176.870 -0.028 0.000 1.083 81 L CA 1.240 56.036 54.840 -0.073 0.000 0.752 81 L CB -0.608 41.424 42.059 -0.045 0.000 0.899 81 L HN 0.453 nan 8.230 nan 0.000 0.433 82 N N 0.217 118.952 118.700 0.059 0.000 2.149 82 N HA -0.154 4.587 4.740 0.001 0.000 0.188 82 N C 1.625 177.196 175.510 0.101 0.000 1.019 82 N CA 1.505 54.633 53.050 0.131 0.000 0.857 82 N CB 0.044 38.722 38.487 0.318 0.000 0.997 82 N HN 0.119 nan 8.380 nan 0.000 0.426 83 V N -0.163 119.784 119.914 0.055 0.000 2.379 83 V HA -0.076 4.045 4.120 0.001 0.000 0.243 83 V C 2.341 178.373 176.094 -0.104 0.000 1.035 83 V CA 2.038 64.330 62.300 -0.012 0.000 1.035 83 V CB -0.733 31.063 31.823 -0.046 0.000 0.673 83 V HN 0.571 nan 8.190 nan 0.000 0.457 84 T N -2.399 111.908 114.554 -0.412 0.000 3.051 84 T HA 0.044 4.395 4.350 0.001 0.000 0.255 84 T C 0.962 175.474 174.700 -0.313 0.000 1.085 84 T CA 0.609 62.199 62.100 -0.851 0.000 1.109 84 T CB 0.149 68.089 68.868 -1.546 0.000 0.921 84 T HN 0.480 nan 8.240 nan 0.000 0.488 85 E N 2.079 122.195 120.200 -0.141 0.000 4.052 85 E HA 0.232 4.582 4.350 0.001 0.000 0.219 85 E C -1.976 174.635 176.600 0.019 0.000 1.166 85 E CA -1.968 54.432 56.400 0.001 0.000 1.338 85 E CB 1.224 30.926 29.700 0.003 0.000 1.212 85 E HN 0.243 nan 8.360 nan 0.000 0.432 86 P HA -0.121 nan 4.420 nan 0.000 0.229 86 P C 1.379 178.672 177.300 -0.012 0.000 1.160 86 P CA 0.539 63.688 63.100 0.082 0.000 0.777 86 P CB -0.062 31.784 31.700 0.244 0.000 0.814 87 M N -3.848 115.705 119.600 -0.079 0.000 2.558 87 M HA 0.129 4.610 4.480 0.001 0.000 0.255 87 M C 1.125 177.350 176.300 -0.126 0.000 1.113 87 M CA 1.357 56.557 55.300 -0.166 0.000 1.097 87 M CB -0.973 31.489 32.600 -0.231 0.000 1.426 87 M HN -0.127 nan 8.290 nan 0.000 0.488 88 M N 0.701 120.260 119.600 -0.068 0.000 2.571 88 M HA 0.265 4.746 4.480 0.001 0.000 0.259 88 M C 0.530 176.807 176.300 -0.037 0.000 1.205 88 M CA 0.503 55.771 55.300 -0.053 0.000 1.138 88 M CB 0.099 32.679 32.600 -0.033 0.000 1.329 88 M HN 0.543 nan 8.290 nan 0.000 0.503 89 S N -1.423 114.262 115.700 -0.026 0.000 2.567 89 S HA 0.820 5.290 4.470 0.001 0.000 0.270 89 S C -0.337 174.264 174.600 0.003 0.000 1.152 89 S CA -0.019 58.168 58.200 -0.021 0.000 0.835 89 S CB 1.891 65.073 63.200 -0.031 0.000 1.115 89 S HN 0.464 nan 8.310 nan 0.000 0.459 90 G N 0.860 109.663 108.800 0.005 0.000 2.566 90 G HA2 0.239 4.200 3.960 0.001 0.000 0.138 90 G HA3 0.239 4.200 3.960 0.001 0.000 0.138 90 G C 0.489 175.389 174.900 0.001 0.000 1.133 90 G CA -0.110 44.998 45.100 0.014 0.000 1.037 90 G HN 1.656 nan 8.290 nan 0.000 0.491 91 I N 0.170 120.774 120.570 0.057 0.000 3.001 91 I HA 0.280 4.451 4.170 0.001 0.000 0.268 91 I C 1.826 177.972 176.117 0.048 0.000 1.267 91 I CA 1.498 62.769 61.300 -0.048 0.000 1.472 91 I CB -0.194 37.770 38.000 -0.061 0.000 1.089 91 I HN 0.451 nan 8.210 nan 0.000 0.468 92 G N 1.024 109.912 108.800 0.147 0.000 2.920 92 G HA2 0.429 4.390 3.960 0.001 0.000 0.208 92 G HA3 0.429 4.390 3.960 0.001 0.000 0.208 92 G C 0.556 175.499 174.900 0.072 0.000 1.159 92 G CA 0.371 45.575 45.100 0.174 0.000 0.784 92 G HN 0.594 nan 8.290 nan 0.000 0.535 93 G N -1.338 107.467 108.800 0.008 0.000 3.252 93 G HA2 0.690 4.651 3.960 0.001 0.000 0.181 93 G HA3 0.690 4.651 3.960 0.001 0.000 0.181 93 G C -0.407 174.449 174.900 -0.073 0.000 1.187 93 G CA -0.161 44.922 45.100 -0.028 0.000 0.886 93 G HN 0.678 nan 8.290 nan 0.000 0.615 94 G N -2.684 106.063 108.800 -0.088 0.000 2.649 94 G HA2 0.752 4.712 3.960 0.001 0.000 0.290 94 G HA3 0.752 4.712 3.960 0.001 0.000 0.290 94 G C -0.685 174.115 174.900 -0.167 0.000 1.426 94 G CA 0.384 45.405 45.100 -0.133 0.000 0.794 94 G HN 1.663 nan 8.290 nan 0.000 0.483 95 G N -1.770 106.874 108.800 -0.260 0.000 2.554 95 G HA2 0.603 4.563 3.960 0.001 0.000 0.306 95 G HA3 0.603 4.563 3.960 0.001 0.000 0.306 95 G C -2.180 172.443 174.900 -0.461 0.000 1.320 95 G CA -0.679 44.254 45.100 -0.279 0.000 0.800 95 G HN 0.585 nan 8.290 nan 0.000 0.481 96 F N 0.735 120.689 119.950 0.007 0.000 2.499 96 F HA 0.604 5.132 4.527 0.001 0.000 0.333 96 F C 0.321 176.119 175.800 -0.004 0.000 1.138 96 F CA -0.602 57.404 58.000 0.009 0.000 0.945 96 F CB 2.402 41.404 39.000 0.003 0.000 1.181 96 F HN 0.300 nan 8.300 nan 0.000 0.435 97 M N 6.542 126.232 119.600 0.151 0.000 2.044 97 M HA 0.442 4.922 4.480 0.001 0.000 0.333 97 M C -1.267 175.079 176.300 0.076 0.000 1.004 97 M CA -0.480 54.868 55.300 0.081 0.000 0.954 97 M CB 1.012 33.644 32.600 0.053 0.000 1.468 97 M HN 0.755 nan 8.290 nan 0.000 0.414 98 M N 6.027 125.646 119.600 0.032 0.000 2.180 98 M HA 0.498 4.979 4.480 0.001 0.000 0.358 98 M C -1.859 174.402 176.300 -0.065 0.000 1.233 98 M CA -0.342 54.956 55.300 -0.003 0.000 1.114 98 M CB 0.861 33.438 32.600 -0.038 0.000 1.594 98 M HN 0.521 nan 8.290 nan 0.000 0.467 99 V N 6.163 126.014 119.914 -0.105 0.000 2.525 99 V HA 0.292 4.413 4.120 0.001 0.000 0.299 99 V C -1.347 174.633 176.094 -0.189 0.000 1.034 99 V CA -0.729 61.397 62.300 -0.291 0.000 0.863 99 V CB 1.434 32.777 31.823 -0.800 0.000 0.999 99 V HN 0.777 nan 8.190 nan 0.000 0.423 100 Y N 3.998 124.162 120.300 -0.227 0.000 2.327 100 Y HA 0.569 5.120 4.550 0.001 0.000 0.336 100 Y C -0.086 175.695 175.900 -0.197 0.000 1.035 100 Y CA -0.340 57.680 58.100 -0.133 0.000 1.165 100 Y CB 1.189 39.617 38.460 -0.053 0.000 1.181 100 Y HN 0.715 nan 8.280 nan 0.000 0.494 101 D N 3.796 123.705 120.400 -0.818 0.000 2.233 101 D HA 0.240 4.880 4.640 0.001 0.000 0.240 101 D C 0.785 176.713 176.300 -0.621 0.000 1.074 101 D CA -0.118 53.533 54.000 -0.581 0.000 0.838 101 D CB 1.831 42.517 40.800 -0.190 0.000 1.124 101 D HN 0.913 nan 8.370 nan 0.000 0.475 102 G N 2.513 111.123 108.800 -0.316 0.000 2.572 102 G HA2 -0.026 3.935 3.960 0.001 0.000 0.216 102 G HA3 -0.026 3.935 3.960 0.001 0.000 0.216 102 G C 1.255 176.092 174.900 -0.105 0.000 1.133 102 G CA 1.107 46.123 45.100 -0.141 0.000 0.791 102 G HN 0.605 nan 8.290 nan 0.000 0.538 103 K N -0.093 120.247 120.400 -0.102 0.000 2.273 103 K HA 0.211 4.532 4.320 0.001 0.000 0.206 103 K C 2.430 179.012 176.600 -0.030 0.000 1.072 103 K CA 1.588 57.864 56.287 -0.017 0.000 0.953 103 K CB -0.657 31.861 32.500 0.030 0.000 1.043 103 K HN 0.365 nan 8.250 nan 0.000 0.477 104 T N -2.558 111.957 114.554 -0.065 0.000 3.018 104 T HA 0.107 4.458 4.350 0.001 0.000 0.246 104 T C 0.687 175.361 174.700 -0.044 0.000 1.026 104 T CA 0.735 62.822 62.100 -0.023 0.000 1.081 104 T CB 0.280 69.159 68.868 0.019 0.000 0.970 104 T HN 0.333 nan 8.240 nan 0.000 0.475 105 K N 1.263 121.581 120.400 -0.137 0.000 3.193 105 K HA -0.132 4.189 4.320 0.001 0.000 0.294 105 K C -1.061 175.522 176.600 -0.029 0.000 1.185 105 K CA 0.933 57.139 56.287 -0.136 0.000 0.866 105 K CB -2.448 30.117 32.500 0.108 0.000 1.227 105 K HN 0.529 nan 8.250 nan 0.000 0.467 106 D N 1.413 121.789 120.400 -0.039 0.000 2.304 106 D HA 0.198 4.839 4.640 0.001 0.000 0.250 106 D C 0.103 176.474 176.300 0.118 0.000 1.107 106 D CA 0.165 54.219 54.000 0.089 0.000 0.885 106 D CB 0.971 41.830 40.800 0.099 0.000 1.192 106 D HN -0.063 nan 8.370 nan 0.000 0.436 107 T N 1.515 116.231 114.554 0.269 0.000 2.767 107 T HA 0.544 4.895 4.350 0.001 0.000 0.284 107 T C 0.391 175.217 174.700 0.210 0.000 0.973 107 T CA -0.618 61.638 62.100 0.260 0.000 0.996 107 T CB 1.056 70.131 68.868 0.345 0.000 0.927 107 T HN 0.449 nan 8.240 nan 0.000 0.456 108 T N 0.304 114.959 114.554 0.168 0.000 2.865 108 T HA 0.797 5.147 4.350 0.001 0.000 0.294 108 T C -0.849 173.950 174.700 0.164 0.000 1.119 108 T CA -0.906 61.308 62.100 0.190 0.000 1.007 108 T CB 1.097 70.124 68.868 0.264 0.000 1.225 108 T HN 0.424 nan 8.240 nan 0.000 0.515 109 I N 1.532 122.200 120.570 0.163 0.000 2.447 109 I HA 0.369 4.540 4.170 0.001 0.000 0.287 109 I C -0.743 175.484 176.117 0.184 0.000 1.023 109 I CA -1.219 60.176 61.300 0.159 0.000 1.083 109 I CB 1.881 39.965 38.000 0.141 0.000 1.245 109 I HN 0.515 nan 8.210 nan 0.000 0.434 110 I N 5.086 125.769 120.570 0.189 0.000 2.322 110 I HA 0.129 4.300 4.170 0.001 0.000 0.292 110 I C 0.083 176.268 176.117 0.114 0.000 1.060 110 I CA -0.094 61.292 61.300 0.145 0.000 1.309 110 I CB 0.335 38.425 38.000 0.150 0.000 1.415 110 I HN 0.521 nan 8.210 nan 0.000 0.492 111 D N 5.155 125.613 120.400 0.098 0.000 2.443 111 D HA 0.141 4.782 4.640 0.001 0.000 0.221 111 D C 0.593 176.863 176.300 -0.049 0.000 1.097 111 D CA -0.233 53.794 54.000 0.044 0.000 0.865 111 D CB 0.931 41.843 40.800 0.187 0.000 1.034 111 D HN 0.474 nan 8.370 nan 0.000 0.511 112 S N 3.145 118.761 115.700 -0.140 0.000 2.561 112 S HA 0.179 4.650 4.470 0.001 0.000 0.245 112 S C 0.759 175.316 174.600 -0.071 0.000 1.001 112 S CA -0.836 57.353 58.200 -0.017 0.000 1.002 112 S CB 0.063 63.247 63.200 -0.026 0.000 0.805 112 S HN 0.286 nan 8.310 nan 0.000 0.458 113 R N 2.442 122.814 120.500 -0.214 0.000 2.570 113 R HA 0.171 4.511 4.340 0.001 0.000 0.277 113 R C -0.366 175.973 176.300 0.065 0.000 1.039 113 R CA 0.179 56.169 56.100 -0.184 0.000 1.065 113 R CB -0.130 30.037 30.300 -0.221 0.000 0.964 113 R HN 0.389 nan 8.270 nan 0.000 0.428 114 E N 2.974 123.192 120.200 0.031 0.000 2.418 114 E HA 0.098 4.449 4.350 0.001 0.000 0.261 114 E C -0.167 176.532 176.600 0.165 0.000 1.070 114 E CA 0.347 56.792 56.400 0.077 0.000 0.931 114 E CB 0.493 30.204 29.700 0.020 0.000 0.954 114 E HN 0.379 nan 8.360 nan 0.000 0.439 115 R N 1.058 121.702 120.500 0.239 0.000 2.604 115 R HA 0.593 4.933 4.340 0.001 0.000 0.287 115 R C -0.504 175.873 176.300 0.128 0.000 0.970 115 R CA -1.073 55.143 56.100 0.193 0.000 0.946 115 R CB 1.635 32.090 30.300 0.258 0.000 1.127 115 R HN 0.579 nan 8.270 nan 0.000 0.473 116 A N 3.948 126.812 122.820 0.075 0.000 2.462 116 A HA 0.293 4.613 4.320 0.001 0.000 0.243 116 A C -1.847 175.778 177.584 0.068 0.000 1.076 116 A CA -0.956 51.111 52.037 0.050 0.000 0.773 116 A CB -0.433 18.567 19.000 -0.001 0.000 1.010 116 A HN 0.401 nan 8.150 nan 0.000 0.493 117 P HA 0.202 nan 4.420 nan 0.000 0.271 117 P C 0.859 178.190 177.300 0.052 0.000 1.233 117 P CA 0.432 63.570 63.100 0.063 0.000 0.789 117 P CB 0.579 32.305 31.700 0.043 0.000 0.951 118 A N 1.766 124.622 122.820 0.060 0.000 2.019 118 A HA -0.072 4.248 4.320 0.001 0.000 0.219 118 A C 2.142 179.746 177.584 0.033 0.000 1.164 118 A CA 1.952 54.021 52.037 0.054 0.000 0.644 118 A CB -1.674 17.360 19.000 0.057 0.000 0.805 118 A HN 0.663 nan 8.150 nan 0.000 0.449 119 G N -0.814 107.999 108.800 0.021 0.000 2.848 119 G HA2 0.354 4.314 3.960 0.001 0.000 0.208 119 G HA3 0.354 4.314 3.960 0.001 0.000 0.208 119 G C 0.689 175.578 174.900 -0.018 0.000 1.152 119 G CA 0.561 45.664 45.100 0.004 0.000 0.789 119 G HN 0.791 nan 8.290 nan 0.000 0.531 120 A N 0.436 123.242 122.820 -0.023 0.000 2.425 120 A HA 0.583 4.903 4.320 0.001 0.000 0.242 120 A C 0.723 178.268 177.584 -0.065 0.000 1.077 120 A CA 0.687 52.685 52.037 -0.065 0.000 0.781 120 A CB 0.209 19.171 19.000 -0.064 0.000 1.020 120 A HN 0.634 nan 8.150 nan 0.000 0.494 121 T N -1.106 113.384 114.554 -0.107 0.000 2.906 121 T HA 0.608 4.959 4.350 0.001 0.000 0.295 121 T C -2.411 172.229 174.700 -0.100 0.000 1.061 121 T CA -1.484 60.568 62.100 -0.080 0.000 1.000 121 T CB 1.622 70.451 68.868 -0.066 0.000 1.103 121 T HN 0.250 nan 8.240 nan 0.000 0.486 122 P HA -0.038 nan 4.420 nan 0.000 0.219 122 P C 0.676 177.959 177.300 -0.029 0.000 1.146 122 P CA 1.089 64.173 63.100 -0.028 0.000 0.808 122 P CB -0.013 31.691 31.700 0.007 0.000 0.779 123 D N -1.091 119.283 120.400 -0.043 0.000 2.424 123 D HA -0.010 4.631 4.640 0.001 0.000 0.220 123 D C 1.410 177.661 176.300 -0.081 0.000 1.150 123 D CA -0.140 53.843 54.000 -0.028 0.000 0.831 123 D CB -1.119 39.679 40.800 -0.004 0.000 0.981 123 D HN 0.243 nan 8.370 nan 0.000 0.500 124 M N -1.624 117.849 119.600 -0.211 0.000 2.346 124 M HA -0.015 4.466 4.480 0.001 0.000 0.263 124 M C 0.157 176.253 176.300 -0.339 0.000 1.064 124 M CA 1.186 56.287 55.300 -0.332 0.000 1.083 124 M CB -0.545 31.765 32.600 -0.483 0.000 1.399 124 M HN -0.159 nan 8.290 nan 0.000 0.435 125 F N 1.566 121.529 119.950 0.022 0.000 2.660 125 F HA 0.479 5.007 4.527 0.001 0.000 0.302 125 F C 0.230 176.046 175.800 0.028 0.000 1.103 125 F CA -0.568 57.447 58.000 0.026 0.000 1.340 125 F CB -0.362 38.660 39.000 0.036 0.000 1.048 125 F HN 0.033 nan 8.300 nan 0.000 0.551 126 L N 0.744 122.049 121.223 0.137 0.000 2.322 126 L HA 0.319 4.660 4.340 0.001 0.000 0.279 126 L C 0.283 177.193 176.870 0.067 0.000 1.036 126 L CA -1.082 53.816 54.840 0.096 0.000 0.807 126 L CB 1.005 43.103 42.059 0.065 0.000 1.226 126 L HN 0.054 nan 8.230 nan 0.000 0.433 127 D N 1.362 121.798 120.400 0.061 0.000 2.376 127 D HA 0.112 4.753 4.640 0.001 0.000 0.268 127 D C 1.079 177.398 176.300 0.031 0.000 1.252 127 D CA 0.251 54.278 54.000 0.044 0.000 1.041 127 D CB 0.389 41.213 40.800 0.041 0.000 1.109 127 D HN 0.557 nan 8.370 nan 0.000 0.552 128 E N -1.668 118.547 120.200 0.024 0.000 2.268 128 E HA -0.125 4.226 4.350 0.001 0.000 0.195 128 E C 2.025 178.636 176.600 0.018 0.000 0.995 128 E CA 1.796 58.207 56.400 0.018 0.000 0.836 128 E CB -1.866 27.842 29.700 0.013 0.000 0.763 128 E HN 0.637 nan 8.360 nan 0.000 0.491 129 N N 0.633 119.345 118.700 0.020 0.000 2.039 129 N HA 0.204 4.944 4.740 0.001 0.000 0.193 129 N C 1.598 177.120 175.510 0.019 0.000 1.044 129 N CA 1.388 54.450 53.050 0.019 0.000 0.847 129 N CB -0.200 38.299 38.487 0.020 0.000 1.030 129 N HN 0.789 nan 8.380 nan 0.000 0.422 130 G N -0.194 108.620 108.800 0.024 0.000 2.702 130 G HA2 0.539 4.500 3.960 0.001 0.000 0.295 130 G HA3 0.539 4.500 3.960 0.001 0.000 0.295 130 G C -0.647 174.275 174.900 0.037 0.000 1.446 130 G CA -0.157 44.961 45.100 0.030 0.000 0.983 130 G HN 0.892 nan 8.290 nan 0.000 0.520 131 K N 0.640 121.064 120.400 0.040 0.000 2.349 131 K HA 0.909 5.230 4.320 0.001 0.000 0.243 131 K C -0.342 176.293 176.600 0.059 0.000 1.058 131 K CA -0.918 55.397 56.287 0.046 0.000 0.871 131 K CB 2.006 34.527 32.500 0.035 0.000 1.337 131 K HN 0.584 nan 8.250 nan 0.000 0.469 132 A N 1.083 123.942 122.820 0.066 0.000 2.305 132 A HA 0.502 4.822 4.320 0.001 0.000 0.322 132 A C -0.236 177.397 177.584 0.082 0.000 1.187 132 A CA -1.036 51.057 52.037 0.092 0.000 0.825 132 A CB -0.091 18.957 19.000 0.080 0.000 1.164 132 A HN 0.702 nan 8.150 nan 0.000 0.498 133 I N 3.363 123.994 120.570 0.102 0.000 2.752 133 I HA 0.010 4.181 4.170 0.001 0.000 0.286 133 I C -1.808 174.350 176.117 0.068 0.000 1.180 133 I CA -0.823 60.527 61.300 0.084 0.000 1.404 133 I CB 0.185 38.251 38.000 0.109 0.000 1.389 133 I HN 0.436 nan 8.210 nan 0.000 0.549 134 P HA -0.165 nan 4.420 nan 0.000 0.264 134 P C 0.566 177.910 177.300 0.073 0.000 1.173 134 P CA 0.203 63.343 63.100 0.067 0.000 0.761 134 P CB 0.373 32.102 31.700 0.047 0.000 0.794 135 F N 3.410 123.335 119.950 -0.043 0.000 2.063 135 F HA -0.318 4.209 4.527 0.001 0.000 0.298 135 F C 2.230 177.999 175.800 -0.052 0.000 1.105 135 F CA 2.789 60.748 58.000 -0.068 0.000 1.215 135 F CB -0.818 38.144 39.000 -0.064 0.000 0.972 135 F HN 0.364 nan 8.300 nan 0.000 0.483 136 S N -0.821 114.841 115.700 -0.064 0.000 2.478 136 S HA 0.080 4.551 4.470 0.001 0.000 0.222 136 S C 1.971 176.493 174.600 -0.130 0.000 1.008 136 S CA 0.715 58.843 58.200 -0.120 0.000 0.928 136 S CB -0.743 62.471 63.200 0.023 0.000 0.781 136 S HN 0.516 nan 8.310 nan 0.000 0.518 137 E N 2.229 122.380 120.200 -0.083 0.000 2.046 137 E HA 0.042 4.393 4.350 0.001 0.000 0.190 137 E C 1.978 178.522 176.600 -0.093 0.000 0.982 137 E CA 1.124 57.489 56.400 -0.058 0.000 0.800 137 E CB -0.918 28.776 29.700 -0.010 0.000 0.756 137 E HN 0.676 nan 8.360 nan 0.000 0.449 138 R N 0.064 120.477 120.500 -0.146 0.000 2.119 138 R HA -0.167 4.174 4.340 0.001 0.000 0.246 138 R C 2.582 178.730 176.300 -0.253 0.000 1.146 138 R CA 1.938 57.928 56.100 -0.184 0.000 0.962 138 R CB -0.892 29.226 30.300 -0.304 0.000 0.863 138 R HN 0.494 nan 8.270 nan 0.000 0.442 139 V N -3.327 116.343 119.914 -0.407 0.000 2.794 139 V HA -0.163 3.958 4.120 0.001 0.000 0.260 139 V C 1.517 177.499 176.094 -0.187 0.000 1.103 139 V CA 2.280 64.353 62.300 -0.379 0.000 1.125 139 V CB -0.377 31.147 31.823 -0.499 0.000 0.702 139 V HN 0.340 nan 8.190 nan 0.000 0.494 140 T N -2.143 112.347 114.554 -0.107 0.000 3.028 140 T HA 0.194 4.544 4.350 0.001 0.000 0.262 140 T C 0.607 175.307 174.700 0.000 0.000 0.916 140 T CA -0.356 61.706 62.100 -0.063 0.000 0.873 140 T CB 0.167 69.011 68.868 -0.041 0.000 1.232 140 T HN 0.371 nan 8.240 nan 0.000 0.529 141 K N 1.091 121.509 120.400 0.030 0.000 2.118 141 K HA 0.506 4.826 4.320 0.001 0.000 0.264 141 K C 1.503 178.161 176.600 0.096 0.000 1.000 141 K CA -0.110 56.242 56.287 0.109 0.000 0.929 141 K CB 0.783 33.364 32.500 0.135 0.000 1.021 141 K HN 0.159 nan 8.250 nan 0.000 0.463 142 G N 0.768 109.657 108.800 0.149 0.000 2.442 142 G HA2 -0.287 3.673 3.960 0.001 0.000 0.219 142 G HA3 -0.287 3.673 3.960 0.001 0.000 0.219 142 G C 1.317 176.266 174.900 0.082 0.000 1.141 142 G CA 1.623 46.789 45.100 0.110 0.000 0.763 142 G HN 0.704 nan 8.290 nan 0.000 0.554 143 T N -0.831 113.781 114.554 0.097 0.000 2.946 143 T HA 0.121 4.472 4.350 0.001 0.000 0.271 143 T C 2.329 177.143 174.700 0.191 0.000 1.104 143 T CA 1.531 63.673 62.100 0.070 0.000 1.114 143 T CB -0.220 68.642 68.868 -0.010 0.000 0.867 143 T HN 0.360 nan 8.240 nan 0.000 0.513 144 A N 0.827 123.791 122.820 0.241 0.000 2.123 144 A HA 0.429 4.750 4.320 0.001 0.000 0.214 144 A C 1.115 178.772 177.584 0.122 0.000 1.152 144 A CA -0.046 52.134 52.037 0.238 0.000 0.728 144 A CB -0.193 18.852 19.000 0.074 0.000 0.814 144 A HN 0.442 nan 8.150 nan 0.000 0.464 145 V N 1.184 121.141 119.914 0.072 0.000 2.427 145 V HA 0.457 4.578 4.120 0.001 0.000 0.268 145 V C 0.988 177.112 176.094 0.049 0.000 1.046 145 V CA -0.193 62.127 62.300 0.034 0.000 0.970 145 V CB 0.491 32.312 31.823 -0.002 0.000 1.001 145 V HN 0.376 nan 8.190 nan 0.000 0.476 146 G N 3.583 112.413 108.800 0.050 0.000 2.476 146 G HA2 0.440 4.401 3.960 0.001 0.000 0.269 146 G HA3 0.440 4.401 3.960 0.001 0.000 0.269 146 G C -0.240 174.689 174.900 0.048 0.000 1.195 146 G CA -0.580 44.555 45.100 0.057 0.000 0.843 146 G HN 0.573 nan 8.290 nan 0.000 0.545 147 V N 3.489 123.443 119.914 0.066 0.000 2.452 147 V HA 0.038 4.159 4.120 0.001 0.000 0.286 147 V C -1.666 174.372 176.094 -0.094 0.000 0.995 147 V CA -0.600 61.732 62.300 0.054 0.000 1.116 147 V CB 0.550 32.464 31.823 0.151 0.000 0.954 147 V HN 0.517 nan 8.190 nan 0.000 0.473 148 P HA 0.177 nan 4.420 nan 0.000 0.268 148 P C 0.808 177.916 177.300 -0.320 0.000 1.204 148 P CA 0.298 63.361 63.100 -0.062 0.000 0.768 148 P CB 0.950 32.760 31.700 0.183 0.000 0.842 149 G N 1.340 109.923 108.800 -0.362 0.000 2.848 149 G HA2 -0.056 3.904 3.960 0.001 0.000 0.213 149 G HA3 -0.056 3.904 3.960 0.001 0.000 0.213 149 G C 1.231 176.063 174.900 -0.114 0.000 1.101 149 G CA 0.198 45.073 45.100 -0.374 0.000 0.778 149 G HN 0.340 nan 8.290 nan 0.000 0.536 150 T N 1.693 116.153 114.554 -0.155 0.000 2.624 150 T HA -0.232 4.119 4.350 0.001 0.000 0.268 150 T C 2.240 176.824 174.700 -0.193 0.000 1.041 150 T CA 1.664 63.662 62.100 -0.169 0.000 1.159 150 T CB -0.232 68.528 68.868 -0.181 0.000 0.863 150 T HN 0.156 nan 8.240 nan 0.000 0.434 151 L N 0.880 121.953 121.223 -0.249 0.000 2.046 151 L HA 0.014 4.355 4.340 0.001 0.000 0.208 151 L C 2.293 179.144 176.870 -0.032 0.000 1.077 151 L CA 1.839 56.553 54.840 -0.210 0.000 0.747 151 L CB -0.468 41.349 42.059 -0.402 0.000 0.896 151 L HN 0.007 nan 8.230 nan 0.000 0.432 152 K N -0.141 120.298 120.400 0.064 0.000 2.103 152 K HA -0.101 4.220 4.320 0.001 0.000 0.207 152 K C 1.967 178.568 176.600 0.001 0.000 1.048 152 K CA 1.555 57.847 56.287 0.010 0.000 0.930 152 K CB -0.998 31.493 32.500 -0.015 0.000 0.716 152 K HN 0.460 nan 8.250 nan 0.000 0.444 153 G N 0.349 109.148 108.800 -0.002 0.000 2.402 153 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 153 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 153 G C 1.465 176.348 174.900 -0.029 0.000 1.162 153 G CA 0.860 45.954 45.100 -0.011 0.000 0.777 153 G HN 0.267 nan 8.290 nan 0.000 0.539 154 L N 0.182 121.354 121.223 -0.085 0.000 2.046 154 L HA -0.078 4.263 4.340 0.001 0.000 0.208 154 L C 2.764 179.618 176.870 -0.027 0.000 1.077 154 L CA 1.659 56.436 54.840 -0.105 0.000 0.747 154 L CB -0.460 41.438 42.059 -0.269 0.000 0.896 154 L HN 0.378 nan 8.230 nan 0.000 0.432 155 E N 0.537 120.729 120.200 -0.014 0.000 2.077 155 E HA -0.296 4.054 4.350 0.001 0.000 0.193 155 E C 2.040 178.630 176.600 -0.016 0.000 0.989 155 E CA 1.507 57.910 56.400 0.004 0.000 0.800 155 E CB 0.123 29.831 29.700 0.014 0.000 0.746 155 E HN 0.364 nan 8.360 nan 0.000 0.452 156 E N 0.561 120.744 120.200 -0.029 0.000 2.058 156 E HA -0.181 4.169 4.350 0.001 0.000 0.194 156 E C 1.808 178.364 176.600 -0.072 0.000 0.997 156 E CA 1.687 58.050 56.400 -0.062 0.000 0.801 156 E CB -0.400 29.269 29.700 -0.053 0.000 0.746 156 E HN 0.346 nan 8.360 nan 0.000 0.450 157 A N 0.507 123.346 122.820 0.032 0.000 1.908 157 A HA -0.165 4.156 4.320 0.001 0.000 0.218 157 A C 2.342 180.021 177.584 0.158 0.000 1.181 157 A CA 1.603 53.756 52.037 0.193 0.000 0.627 157 A CB -0.771 18.379 19.000 0.251 0.000 0.818 157 A HN 0.361 nan 8.150 nan 0.000 0.445 158 L N -1.022 120.246 121.223 0.075 0.000 2.056 158 L HA -0.171 4.169 4.340 0.001 0.000 0.207 158 L C 2.397 179.264 176.870 -0.005 0.000 1.078 158 L CA 1.720 56.596 54.840 0.060 0.000 0.749 158 L CB -0.629 41.459 42.059 0.048 0.000 0.901 158 L HN 0.457 nan 8.230 nan 0.000 0.433 159 D N 0.267 120.632 120.400 -0.058 0.000 2.104 159 D HA -0.214 4.427 4.640 0.001 0.000 0.194 159 D C 2.188 178.370 176.300 -0.197 0.000 0.994 159 D CA 1.501 55.438 54.000 -0.106 0.000 0.830 159 D CB 0.204 40.936 40.800 -0.113 0.000 0.959 159 D HN 0.111 nan 8.370 nan 0.000 0.452 160 K N -1.038 119.145 120.400 -0.363 0.000 2.031 160 K HA -0.064 4.257 4.320 0.001 0.000 0.205 160 K C 1.200 177.444 176.600 -0.593 0.000 1.049 160 K CA 1.044 56.897 56.287 -0.723 0.000 0.939 160 K CB 0.045 31.615 32.500 -1.550 0.000 0.717 160 K HN 0.367 nan 8.250 nan 0.000 0.438 161 W N 0.129 121.421 121.300 -0.015 0.000 2.534 161 W HA 0.278 4.938 4.660 0.001 0.000 0.339 161 W C 0.476 176.989 176.519 -0.009 0.000 0.961 161 W CA -0.522 56.814 57.345 -0.015 0.000 1.545 161 W CB -0.308 29.141 29.460 -0.017 0.000 1.104 161 W HN -0.074 nan 8.180 nan 0.000 0.538 162 G N 1.267 110.168 108.800 0.170 0.000 2.441 162 G HA2 0.265 4.226 3.960 0.001 0.000 0.243 162 G HA3 0.265 4.226 3.960 0.001 0.000 0.243 162 G C 0.862 175.810 174.900 0.081 0.000 1.281 162 G CA 0.669 45.839 45.100 0.117 0.000 0.854 162 G HN 0.023 nan 8.290 nan 0.000 0.560 163 T N -1.251 113.345 114.554 0.070 0.000 3.040 163 T HA 0.356 4.707 4.350 0.001 0.000 0.266 163 T C 0.787 175.509 174.700 0.038 0.000 1.005 163 T CA -0.313 61.816 62.100 0.049 0.000 0.906 163 T CB 0.396 69.293 68.868 0.047 0.000 1.082 163 T HN 0.351 nan 8.240 nan 0.000 0.531 164 R N 1.961 122.486 120.500 0.042 0.000 2.686 164 R HA 0.630 4.970 4.340 0.001 0.000 0.286 164 R C -0.189 176.132 176.300 0.034 0.000 0.969 164 R CA -0.337 55.784 56.100 0.034 0.000 0.898 164 R CB 1.886 32.207 30.300 0.034 0.000 1.183 164 R HN 0.352 nan 8.270 nan 0.000 0.456 165 S N 2.043 117.757 115.700 0.023 0.000 2.585 165 S HA 0.030 4.501 4.470 0.001 0.000 0.273 165 S C 1.268 175.880 174.600 0.020 0.000 1.339 165 S CA -0.510 57.701 58.200 0.018 0.000 1.028 165 S CB 0.730 63.934 63.200 0.006 0.000 0.906 165 S HN 0.807 nan 8.310 nan 0.000 0.528 166 M N 1.529 121.143 119.600 0.024 0.000 2.149 166 M HA -0.165 4.316 4.480 0.001 0.000 0.261 166 M C 1.976 178.242 176.300 -0.057 0.000 1.064 166 M CA 1.699 57.014 55.300 0.024 0.000 1.102 166 M CB -0.368 32.254 32.600 0.038 0.000 1.369 166 M HN 0.809 nan 8.290 nan 0.000 0.408 167 K N -0.219 120.149 120.400 -0.052 0.000 2.020 167 K HA -0.250 4.071 4.320 0.001 0.000 0.212 167 K C 1.946 178.508 176.600 -0.065 0.000 1.050 167 K CA 2.116 58.361 56.287 -0.070 0.000 0.929 167 K CB -0.365 32.111 32.500 -0.039 0.000 0.714 167 K HN 0.548 nan 8.250 nan 0.000 0.443 168 Q N 0.597 120.379 119.800 -0.031 0.000 2.084 168 Q HA -0.086 4.254 4.340 0.001 0.000 0.202 168 Q C 2.187 178.175 176.000 -0.021 0.000 0.978 168 Q CA 1.214 57.006 55.803 -0.018 0.000 0.844 168 Q CB -0.057 28.682 28.738 0.001 0.000 0.898 168 Q HN 0.280 nan 8.270 nan 0.000 0.426 169 L N -0.180 121.037 121.223 -0.010 0.000 2.240 169 L HA -0.063 4.278 4.340 0.001 0.000 0.211 169 L C 2.205 179.062 176.870 -0.022 0.000 1.106 169 L CA 0.539 55.397 54.840 0.030 0.000 0.793 169 L CB -0.096 42.024 42.059 0.102 0.000 0.927 169 L HN 0.259 nan 8.230 nan 0.000 0.446 170 I N -0.795 119.640 120.570 -0.224 0.000 2.876 170 I HA -0.183 3.988 4.170 0.001 0.000 0.264 170 I C 2.213 178.173 176.117 -0.261 0.000 1.204 170 I CA 0.618 61.582 61.300 -0.559 0.000 1.485 170 I CB 0.149 37.523 38.000 -1.044 0.000 1.103 170 I HN 0.186 nan 8.210 nan 0.000 0.446 171 T N 2.273 116.745 114.554 -0.137 0.000 2.665 171 T HA -0.112 4.239 4.350 0.001 0.000 0.268 171 T C -0.613 174.079 174.700 -0.014 0.000 1.035 171 T CA 1.806 63.870 62.100 -0.060 0.000 1.151 171 T CB -1.216 67.629 68.868 -0.038 0.000 0.862 171 T HN 0.312 nan 8.240 nan 0.000 0.438 172 P HA 0.015 nan 4.420 nan 0.000 0.218 172 P C 1.575 178.900 177.300 0.041 0.000 1.148 172 P CA 0.982 64.096 63.100 0.024 0.000 0.822 172 P CB -0.078 31.639 31.700 0.030 0.000 0.784 173 S N -1.014 114.722 115.700 0.060 0.000 2.395 173 S HA -0.023 4.448 4.470 0.001 0.000 0.225 173 S C 1.851 176.551 174.600 0.167 0.000 1.027 173 S CA 0.664 58.948 58.200 0.140 0.000 0.965 173 S CB -0.921 62.441 63.200 0.270 0.000 0.812 173 S HN 0.110 nan 8.310 nan 0.000 0.482 174 I N 1.811 122.469 120.570 0.147 0.000 2.151 174 I HA -0.287 3.884 4.170 0.001 0.000 0.243 174 I C 2.354 178.500 176.117 0.048 0.000 1.080 174 I CA 1.343 62.706 61.300 0.104 0.000 1.339 174 I CB -0.301 37.736 38.000 0.062 0.000 1.039 174 I HN 0.252 nan 8.210 nan 0.000 0.409 175 K N 0.558 120.984 120.400 0.043 0.000 2.063 175 K HA -0.165 4.155 4.320 0.001 0.000 0.208 175 K C 2.107 178.739 176.600 0.055 0.000 1.048 175 K CA 1.313 57.624 56.287 0.040 0.000 0.928 175 K CB -0.265 32.257 32.500 0.037 0.000 0.713 175 K HN 0.315 nan 8.250 nan 0.000 0.442 176 L N 0.463 121.721 121.223 0.060 0.000 2.093 176 L HA -0.169 4.172 4.340 0.001 0.000 0.208 176 L C 2.607 179.551 176.870 0.124 0.000 1.085 176 L CA 0.986 55.878 54.840 0.087 0.000 0.755 176 L CB -0.524 41.533 42.059 -0.004 0.000 0.904 176 L HN 0.218 nan 8.230 nan 0.000 0.435 177 A N -0.063 122.786 122.820 0.050 0.000 1.873 177 A HA -0.240 4.080 4.320 0.001 0.000 0.215 177 A C 2.181 179.762 177.584 -0.005 0.000 1.186 177 A CA 1.840 53.876 52.037 -0.002 0.000 0.616 177 A CB -0.439 18.475 19.000 -0.142 0.000 0.823 177 A HN 0.372 nan 8.150 nan 0.000 0.442 178 E N -0.045 120.152 120.200 -0.004 0.000 2.028 178 E HA -0.107 4.243 4.350 0.001 0.000 0.191 178 E C 2.135 178.738 176.600 0.006 0.000 0.988 178 E CA 2.514 58.909 56.400 -0.008 0.000 0.799 178 E CB -0.317 29.382 29.700 -0.002 0.000 0.755 178 E HN 0.452 nan 8.360 nan 0.000 0.447 179 K N 0.093 120.510 120.400 0.029 0.000 2.314 179 K HA 0.339 4.660 4.320 0.001 0.000 0.198 179 K C 0.915 177.543 176.600 0.047 0.000 1.045 179 K CA 0.969 57.276 56.287 0.033 0.000 0.988 179 K CB -0.380 32.144 32.500 0.041 0.000 0.783 179 K HN 0.551 nan 8.250 nan 0.000 0.484 180 G N -0.750 108.103 108.800 0.090 0.000 2.576 180 G HA2 0.334 4.295 3.960 0.001 0.000 0.686 180 G HA3 0.334 4.295 3.960 0.001 0.000 0.686 180 G C -0.442 174.609 174.900 0.252 0.000 1.242 180 G CA -0.368 44.785 45.100 0.088 0.000 0.819 180 G HN 1.378 nan 8.290 nan 0.000 0.655 181 F N -0.642 119.330 119.950 0.038 0.000 2.675 181 F HA 0.956 5.484 4.527 0.001 0.000 0.324 181 F C -2.584 173.277 175.800 0.102 0.000 1.106 181 F CA -2.791 55.254 58.000 0.075 0.000 0.970 181 F CB 1.617 40.683 39.000 0.110 0.000 1.385 181 F HN 0.476 nan 8.300 nan 0.000 0.489 182 P HA 0.248 nan 4.420 nan 0.000 0.282 182 P C -0.263 177.141 177.300 0.173 0.000 1.262 182 P CA -0.072 63.045 63.100 0.028 0.000 0.773 182 P CB 1.096 32.829 31.700 0.055 0.000 0.879 183 I N 1.930 122.479 120.570 -0.035 0.000 2.648 183 I HA 0.151 4.322 4.170 0.001 0.000 0.284 183 I C 0.419 176.717 176.117 0.302 0.000 1.153 183 I CA -0.179 61.201 61.300 0.133 0.000 1.426 183 I CB 0.488 38.502 38.000 0.022 0.000 1.381 183 I HN 0.288 nan 8.210 nan 0.000 0.571 184 D N 4.528 125.125 120.400 0.328 0.000 2.433 184 D HA 0.037 4.678 4.640 0.001 0.000 0.255 184 D C 1.026 177.391 176.300 0.108 0.000 1.226 184 D CA 0.077 54.175 54.000 0.162 0.000 1.015 184 D CB 1.377 42.050 40.800 -0.211 0.000 1.091 184 D HN 0.727 nan 8.370 nan 0.000 0.527 185 S N -0.372 115.365 115.700 0.062 0.000 2.402 185 S HA -0.127 4.344 4.470 0.001 0.000 0.229 185 S C 2.004 176.630 174.600 0.043 0.000 1.021 185 S CA 1.072 59.305 58.200 0.054 0.000 0.974 185 S CB -0.712 62.512 63.200 0.041 0.000 0.800 185 S HN 0.402 nan 8.310 nan 0.000 0.484 186 V N 1.696 121.626 119.914 0.027 0.000 2.379 186 V HA -0.025 4.096 4.120 0.001 0.000 0.245 186 V C 2.459 178.583 176.094 0.050 0.000 1.044 186 V CA 1.475 63.792 62.300 0.029 0.000 1.036 186 V CB -0.855 30.972 31.823 0.007 0.000 0.664 186 V HN 0.481 nan 8.190 nan 0.000 0.453 187 L N 1.292 122.561 121.223 0.077 0.000 2.046 187 L HA -0.078 4.263 4.340 0.001 0.000 0.208 187 L C 2.458 179.376 176.870 0.080 0.000 1.077 187 L CA 2.377 57.272 54.840 0.092 0.000 0.747 187 L CB -1.129 41.034 42.059 0.174 0.000 0.896 187 L HN 0.213 nan 8.230 nan 0.000 0.432 188 A N -0.494 122.377 122.820 0.086 0.000 1.873 188 A HA -0.326 3.994 4.320 0.001 0.000 0.218 188 A C 2.346 179.966 177.584 0.060 0.000 1.193 188 A CA 2.070 54.151 52.037 0.073 0.000 0.629 188 A CB -0.910 18.131 19.000 0.069 0.000 0.826 188 A HN 0.652 nan 8.150 nan 0.000 0.447 189 E N -0.297 119.936 120.200 0.056 0.000 2.077 189 E HA -0.101 4.250 4.350 0.001 0.000 0.193 189 E C 2.096 178.743 176.600 0.077 0.000 0.989 189 E CA 1.216 57.647 56.400 0.053 0.000 0.800 189 E CB -0.320 29.408 29.700 0.046 0.000 0.746 189 E HN 0.530 nan 8.360 nan 0.000 0.452 190 A N 0.956 123.830 122.820 0.090 0.000 1.883 190 A HA -0.194 4.127 4.320 0.001 0.000 0.217 190 A C 2.201 179.867 177.584 0.137 0.000 1.186 190 A CA 1.623 53.746 52.037 0.143 0.000 0.624 190 A CB -0.725 18.288 19.000 0.021 0.000 0.822 190 A HN 0.374 nan 8.150 nan 0.000 0.444 191 I N -0.854 119.744 120.570 0.048 0.000 2.179 191 I HA -0.234 3.936 4.170 0.001 0.000 0.242 191 I C 2.859 179.013 176.117 0.062 0.000 1.088 191 I CA 1.548 62.866 61.300 0.030 0.000 1.357 191 I CB -0.301 37.741 38.000 0.070 0.000 1.051 191 I HN 0.412 nan 8.210 nan 0.000 0.409 192 S N 0.546 116.278 115.700 0.054 0.000 2.348 192 S HA -0.229 4.242 4.470 0.001 0.000 0.221 192 S C 1.754 176.348 174.600 -0.009 0.000 1.033 192 S CA 1.899 60.115 58.200 0.026 0.000 1.010 192 S CB -0.283 62.929 63.200 0.020 0.000 0.891 192 S HN 0.370 nan 8.310 nan 0.000 0.442 193 D N -0.330 120.058 120.400 -0.019 0.000 2.178 193 D HA -0.050 4.591 4.640 0.001 0.000 0.201 193 D C 0.694 176.757 176.300 -0.395 0.000 0.980 193 D CA 1.136 55.022 54.000 -0.192 0.000 0.842 193 D CB -0.194 40.484 40.800 -0.202 0.000 0.948 193 D HN 0.589 nan 8.370 nan 0.000 0.472 194 Y N 0.377 120.651 120.300 -0.042 0.000 2.607 194 Y HA 0.189 4.740 4.550 0.001 0.000 0.266 194 Y C 1.987 177.861 175.900 -0.043 0.000 1.178 194 Y CA -0.362 57.707 58.100 -0.052 0.000 1.226 194 Y CB 0.080 38.491 38.460 -0.082 0.000 1.144 194 Y HN -0.122 nan 8.280 nan 0.000 0.528 195 Q N 1.401 121.227 119.800 0.043 0.000 2.133 195 Q HA -0.313 4.028 4.340 0.001 0.000 0.208 195 Q C 2.375 178.397 176.000 0.036 0.000 0.991 195 Q CA 2.675 58.502 55.803 0.040 0.000 0.867 195 Q CB 0.185 28.935 28.738 0.021 0.000 0.911 195 Q HN 0.729 nan 8.270 nan 0.000 0.417 196 E N 1.277 121.486 120.200 0.014 0.000 2.077 196 E HA -0.253 4.098 4.350 0.001 0.000 0.193 196 E C 1.636 178.259 176.600 0.038 0.000 0.989 196 E CA 1.625 58.036 56.400 0.017 0.000 0.800 196 E CB -0.607 29.091 29.700 -0.004 0.000 0.746 196 E HN 0.519 nan 8.360 nan 0.000 0.452 197 K N -0.208 120.224 120.400 0.053 0.000 2.057 197 K HA 0.010 4.331 4.320 0.001 0.000 0.206 197 K C 2.352 178.983 176.600 0.052 0.000 1.050 197 K CA 1.155 57.477 56.287 0.058 0.000 0.935 197 K CB -0.301 32.254 32.500 0.092 0.000 0.715 197 K HN 0.362 nan 8.250 nan 0.000 0.439 198 L N 1.609 122.867 121.223 0.058 0.000 2.079 198 L HA -0.192 4.149 4.340 0.001 0.000 0.210 198 L C 2.557 179.475 176.870 0.081 0.000 1.081 198 L CA 1.562 56.442 54.840 0.067 0.000 0.752 198 L CB -0.745 41.359 42.059 0.076 0.000 0.896 198 L HN 0.400 nan 8.230 nan 0.000 0.433 199 S N -0.506 115.236 115.700 0.070 0.000 2.462 199 S HA -0.218 4.252 4.470 0.001 0.000 0.243 199 S C 1.959 176.602 174.600 0.071 0.000 1.003 199 S CA 1.067 59.306 58.200 0.064 0.000 0.970 199 S CB -0.267 62.962 63.200 0.048 0.000 0.762 199 S HN 0.450 nan 8.310 nan 0.000 0.510 200 R N 0.510 121.063 120.500 0.087 0.000 2.419 200 R HA 0.185 4.526 4.340 0.001 0.000 0.235 200 R C 0.403 176.801 176.300 0.164 0.000 0.899 200 R CA 0.956 57.120 56.100 0.108 0.000 1.048 200 R CB 1.075 31.442 30.300 0.111 0.000 1.182 200 R HN 0.672 nan 8.270 nan 0.000 0.544 201 T N -5.509 109.129 114.554 0.140 0.000 2.762 201 T HA 0.388 4.739 4.350 0.001 0.000 0.301 201 T C 0.637 175.402 174.700 0.109 0.000 1.299 201 T CA -0.207 61.991 62.100 0.163 0.000 1.005 201 T CB 1.581 70.500 68.868 0.085 0.000 1.377 201 T HN -0.097 nan 8.240 nan 0.000 0.504 202 A N 0.264 123.143 122.820 0.098 0.000 2.125 202 A HA 0.324 4.644 4.320 0.001 0.000 0.219 202 A C 2.422 180.048 177.584 0.069 0.000 1.156 202 A CA 1.877 53.954 52.037 0.068 0.000 0.671 202 A CB -1.425 17.606 19.000 0.052 0.000 0.794 202 A HN 1.426 nan 8.150 nan 0.000 0.459 203 A N 1.090 123.971 122.820 0.101 0.000 2.019 203 A HA -0.159 4.162 4.320 0.001 0.000 0.219 203 A C 2.042 179.748 177.584 0.204 0.000 1.164 203 A CA 1.693 53.842 52.037 0.186 0.000 0.644 203 A CB -0.479 18.651 19.000 0.218 0.000 0.805 203 A HN 0.765 nan 8.150 nan 0.000 0.449 204 K N -0.465 120.015 120.400 0.133 0.000 2.147 204 K HA -0.188 4.133 4.320 0.001 0.000 0.205 204 K C 0.668 177.304 176.600 0.060 0.000 1.049 204 K CA 1.639 57.992 56.287 0.111 0.000 0.936 204 K CB -0.378 32.169 32.500 0.079 0.000 0.722 204 K HN 0.220 nan 8.250 nan 0.000 0.446 205 D N 0.852 121.267 120.400 0.024 0.000 2.264 205 D HA -0.072 4.568 4.640 0.001 0.000 0.208 205 D C 1.871 178.123 176.300 -0.080 0.000 0.966 205 D CA 0.809 54.797 54.000 -0.019 0.000 0.864 205 D CB 0.248 41.036 40.800 -0.020 0.000 0.933 205 D HN 0.145 nan 8.370 nan 0.000 0.499 206 V N -0.594 119.235 119.914 -0.142 0.000 2.581 206 V HA -0.012 4.108 4.120 0.001 0.000 0.240 206 V C 1.543 177.341 176.094 -0.493 0.000 1.054 206 V CA 0.760 62.829 62.300 -0.385 0.000 1.076 206 V CB -0.169 31.293 31.823 -0.601 0.000 0.748 206 V HN 0.009 nan 8.190 nan 0.000 0.474 207 F N -0.423 119.525 119.950 -0.004 0.000 2.656 207 F HA 0.346 4.874 4.527 0.001 0.000 0.291 207 F C 1.241 177.042 175.800 0.002 0.000 1.122 207 F CA 0.636 58.636 58.000 -0.001 0.000 1.427 207 F CB 0.144 39.151 39.000 0.011 0.000 1.125 207 F HN -0.014 nan 8.300 nan 0.000 0.583 208 L N 1.306 122.612 121.223 0.139 0.000 3.141 208 L HA 0.245 4.585 4.340 0.001 0.000 0.263 208 L C -1.616 175.277 176.870 0.039 0.000 1.312 208 L CA -0.896 53.997 54.840 0.090 0.000 1.012 208 L CB -0.043 42.072 42.059 0.093 0.000 1.408 208 L HN -0.152 nan 8.230 nan 0.000 0.559 209 P HA -0.100 nan 4.420 nan 0.000 0.221 209 P C 0.811 178.108 177.300 -0.006 0.000 1.150 209 P CA 1.378 64.470 63.100 -0.014 0.000 0.800 209 P CB 0.100 31.777 31.700 -0.039 0.000 0.787 210 N N -0.852 117.849 118.700 0.001 0.000 2.401 210 N HA 0.418 5.158 4.740 0.001 0.000 0.264 210 N C 1.142 176.658 175.510 0.009 0.000 1.238 210 N CA 0.218 53.269 53.050 0.002 0.000 0.889 210 N CB -0.371 38.115 38.487 -0.002 0.000 1.196 210 N HN 0.176 nan 8.380 nan 0.000 0.511 211 G N -2.392 106.418 108.800 0.017 0.000 2.176 211 G HA2 0.163 4.124 3.960 0.001 0.000 0.253 211 G HA3 0.163 4.124 3.960 0.001 0.000 0.253 211 G C 0.143 175.057 174.900 0.023 0.000 0.979 211 G CA 0.978 46.090 45.100 0.021 0.000 0.641 211 G HN 1.481 nan 8.290 nan 0.000 0.530 212 E N 1.319 121.533 120.200 0.023 0.000 2.199 212 E HA 0.756 5.107 4.350 0.001 0.000 0.269 212 E C -2.541 174.081 176.600 0.037 0.000 0.899 212 E CA -1.623 54.792 56.400 0.025 0.000 0.772 212 E CB 1.607 31.317 29.700 0.016 0.000 1.155 212 E HN 0.252 nan 8.360 nan 0.000 0.408 213 P HA 0.124 nan 4.420 nan 0.000 0.268 213 P C -0.108 177.225 177.300 0.055 0.000 1.204 213 P CA -0.214 62.923 63.100 0.063 0.000 0.768 213 P CB 0.511 32.244 31.700 0.055 0.000 0.842 214 L N 3.252 124.518 121.223 0.071 0.000 2.483 214 L HA 0.080 4.420 4.340 0.001 0.000 0.276 214 L C 1.329 178.228 176.870 0.049 0.000 1.213 214 L CA 0.579 55.448 54.840 0.048 0.000 0.843 214 L CB -0.205 41.882 42.059 0.048 0.000 1.107 214 L HN 0.309 nan 8.230 nan 0.000 0.487 215 K N 1.773 122.191 120.400 0.031 0.000 2.295 215 K HA 0.290 4.611 4.320 0.001 0.000 0.239 215 K C -0.628 175.994 176.600 0.038 0.000 0.991 215 K CA -0.974 55.334 56.287 0.034 0.000 0.845 215 K CB 1.716 34.231 32.500 0.026 0.000 1.197 215 K HN 0.490 nan 8.250 nan 0.000 0.441 216 E N 0.206 120.436 120.200 0.050 0.000 2.529 216 E HA -0.076 4.275 4.350 0.001 0.000 0.259 216 E C 0.567 177.202 176.600 0.058 0.000 0.966 216 E CA 1.260 57.701 56.400 0.069 0.000 0.937 216 E CB 0.002 29.747 29.700 0.074 0.000 0.923 216 E HN 0.757 nan 8.360 nan 0.000 0.468 217 G N 3.991 112.835 108.800 0.072 0.000 2.225 217 G HA2 -0.247 3.713 3.960 0.001 0.000 0.254 217 G HA3 -0.247 3.713 3.960 0.001 0.000 0.254 217 G C -0.106 174.796 174.900 0.002 0.000 0.988 217 G CA 0.208 45.334 45.100 0.044 0.000 0.625 217 G HN 0.665 nan 8.290 nan 0.000 0.527 218 D N 1.361 121.755 120.400 -0.010 0.000 2.382 218 D HA 0.458 5.098 4.640 0.001 0.000 0.240 218 D C 0.744 176.985 176.300 -0.098 0.000 1.146 218 D CA 0.623 54.599 54.000 -0.041 0.000 0.897 218 D CB 0.726 41.506 40.800 -0.033 0.000 1.197 218 D HN 0.097 nan 8.370 nan 0.000 0.432 219 T N 1.863 116.352 114.554 -0.108 0.000 2.814 219 T HA 0.247 4.597 4.350 0.001 0.000 0.297 219 T C 0.048 174.613 174.700 -0.224 0.000 0.956 219 T CA -0.456 61.543 62.100 -0.168 0.000 1.123 219 T CB 0.337 69.146 68.868 -0.099 0.000 0.902 219 T HN 0.100 nan 8.240 nan 0.000 0.528 220 L N 6.046 127.026 121.223 -0.406 0.000 2.265 220 L HA 0.611 4.952 4.340 0.001 0.000 0.289 220 L C -0.921 175.800 176.870 -0.249 0.000 1.033 220 L CA -0.295 54.326 54.840 -0.365 0.000 0.814 220 L CB 0.252 42.019 42.059 -0.488 0.000 1.203 220 L HN 0.576 nan 8.230 nan 0.000 0.423 221 I N 4.744 125.213 120.570 -0.168 0.000 2.441 221 I HA 0.376 4.547 4.170 0.001 0.000 0.295 221 I C -0.223 175.815 176.117 -0.132 0.000 0.994 221 I CA -0.239 61.000 61.300 -0.102 0.000 1.144 221 I CB 1.617 39.567 38.000 -0.083 0.000 1.314 221 I HN 0.582 nan 8.210 nan 0.000 0.445 222 Q N 5.704 125.446 119.800 -0.097 0.000 2.965 222 Q HA 0.197 4.538 4.340 0.001 0.000 0.288 222 Q C 0.744 176.674 176.000 -0.117 0.000 0.974 222 Q CA -0.306 55.417 55.803 -0.133 0.000 0.849 222 Q CB 1.418 30.079 28.738 -0.129 0.000 1.280 222 Q HN 0.508 nan 8.270 nan 0.000 0.441 223 K N 1.131 121.473 120.400 -0.097 0.000 2.032 223 K HA -0.218 4.103 4.320 0.001 0.000 0.209 223 K C 0.545 177.099 176.600 -0.077 0.000 1.048 223 K CA 1.884 58.127 56.287 -0.074 0.000 0.927 223 K CB 0.369 32.834 32.500 -0.058 0.000 0.712 223 K HN 0.380 nan 8.250 nan 0.000 0.441 224 D N 0.859 121.213 120.400 -0.075 0.000 2.117 224 D HA -0.167 4.474 4.640 0.001 0.000 0.197 224 D C 1.875 178.126 176.300 -0.082 0.000 0.987 224 D CA 0.739 54.707 54.000 -0.054 0.000 0.829 224 D CB -0.249 40.532 40.800 -0.032 0.000 0.961 224 D HN 0.145 nan 8.370 nan 0.000 0.460 225 L N 0.975 122.109 121.223 -0.147 0.000 2.046 225 L HA -0.086 4.255 4.340 0.001 0.000 0.208 225 L C 2.128 178.752 176.870 -0.410 0.000 1.077 225 L CA 1.734 56.397 54.840 -0.294 0.000 0.747 225 L CB -0.834 41.005 42.059 -0.368 0.000 0.896 225 L HN -0.013 nan 8.230 nan 0.000 0.432 226 A N -0.531 122.124 122.820 -0.276 0.000 1.908 226 A HA -0.300 4.020 4.320 0.001 0.000 0.218 226 A C 2.474 180.016 177.584 -0.070 0.000 1.181 226 A CA 2.158 54.093 52.037 -0.169 0.000 0.627 226 A CB -0.695 18.252 19.000 -0.089 0.000 0.818 226 A HN 0.535 nan 8.150 nan 0.000 0.445 227 K N -0.957 119.409 120.400 -0.056 0.000 2.057 227 K HA -0.130 4.191 4.320 0.001 0.000 0.206 227 K C 1.944 178.552 176.600 0.013 0.000 1.050 227 K CA 1.800 58.080 56.287 -0.012 0.000 0.935 227 K CB -0.370 32.127 32.500 -0.006 0.000 0.715 227 K HN 0.427 nan 8.250 nan 0.000 0.439 228 T N 1.123 115.679 114.554 0.003 0.000 2.746 228 T HA -0.110 4.240 4.350 0.001 0.000 0.267 228 T C 1.508 176.302 174.700 0.156 0.000 1.039 228 T CA 1.212 63.332 62.100 0.033 0.000 1.142 228 T CB -0.246 68.622 68.868 -0.001 0.000 0.866 228 T HN 0.125 nan 8.240 nan 0.000 0.444 229 F N 1.776 121.667 119.950 -0.097 0.000 2.171 229 F HA 0.055 4.582 4.527 0.001 0.000 0.300 229 F C 2.223 177.932 175.800 -0.151 0.000 1.090 229 F CA 0.491 58.395 58.000 -0.159 0.000 1.293 229 F CB -0.701 38.187 39.000 -0.187 0.000 1.013 229 F HN 0.167 nan 8.300 nan 0.000 0.486 230 K N 0.093 120.549 120.400 0.093 0.000 2.097 230 K HA -0.139 4.182 4.320 0.001 0.000 0.206 230 K C 2.114 178.718 176.600 0.008 0.000 1.049 230 K CA 1.102 57.403 56.287 0.023 0.000 0.933 230 K CB -0.421 32.090 32.500 0.018 0.000 0.717 230 K HN 0.248 nan 8.250 nan 0.000 0.442 231 L N 0.739 121.973 121.223 0.019 0.000 2.046 231 L HA -0.201 4.140 4.340 0.001 0.000 0.208 231 L C 2.351 179.221 176.870 0.000 0.000 1.077 231 L CA 1.224 56.071 54.840 0.012 0.000 0.747 231 L CB -0.461 41.606 42.059 0.015 0.000 0.896 231 L HN 0.168 nan 8.230 nan 0.000 0.432 232 I N -0.524 120.037 120.570 -0.014 0.000 2.179 232 I HA -0.303 3.867 4.170 0.001 0.000 0.242 232 I C 2.857 178.935 176.117 -0.064 0.000 1.088 232 I CA 1.162 62.438 61.300 -0.040 0.000 1.357 232 I CB -0.320 37.626 38.000 -0.090 0.000 1.051 232 I HN 0.221 nan 8.210 nan 0.000 0.409 233 R N 1.043 121.487 120.500 -0.094 0.000 2.096 233 R HA -0.214 4.126 4.340 0.001 0.000 0.240 233 R C 2.486 178.762 176.300 -0.040 0.000 1.139 233 R CA 2.364 58.411 56.100 -0.087 0.000 0.952 233 R CB -0.171 30.076 30.300 -0.088 0.000 0.854 233 R HN 0.485 nan 8.270 nan 0.000 0.436 234 S N -0.806 114.881 115.700 -0.021 0.000 2.395 234 S HA 0.003 4.473 4.470 0.001 0.000 0.225 234 S C 2.146 176.747 174.600 0.003 0.000 1.027 234 S CA 1.185 59.381 58.200 -0.007 0.000 0.965 234 S CB -0.001 63.199 63.200 0.000 0.000 0.812 234 S HN 0.484 nan 8.310 nan 0.000 0.482 235 K N 1.142 121.548 120.400 0.010 0.000 2.360 235 K HA 0.591 4.912 4.320 0.001 0.000 0.196 235 K C 1.157 177.777 176.600 0.033 0.000 1.049 235 K CA 0.560 56.861 56.287 0.024 0.000 1.049 235 K CB -0.885 31.636 32.500 0.034 0.000 0.881 235 K HN 1.177 nan 8.250 nan 0.000 0.542 236 G N -0.431 108.384 108.800 0.025 0.000 2.681 236 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 236 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 236 G C 1.124 176.067 174.900 0.072 0.000 1.353 236 G CA 0.993 46.116 45.100 0.039 0.000 0.872 236 G HN 1.073 nan 8.290 nan 0.000 0.557 237 T N -2.598 112.021 114.554 0.109 0.000 3.007 237 T HA 0.001 4.352 4.350 0.001 0.000 0.270 237 T C 1.577 176.444 174.700 0.279 0.000 1.107 237 T CA 2.020 64.237 62.100 0.196 0.000 1.118 237 T CB -0.178 68.840 68.868 0.251 0.000 0.889 237 T HN 0.479 nan 8.240 nan 0.000 0.506 238 D N 2.026 122.549 120.400 0.205 0.000 2.265 238 D HA 0.017 4.658 4.640 0.001 0.000 0.208 238 D C 2.260 178.662 176.300 0.170 0.000 0.977 238 D CA 1.140 55.263 54.000 0.204 0.000 0.871 238 D CB -0.563 40.318 40.800 0.135 0.000 0.925 238 D HN 0.634 nan 8.370 nan 0.000 0.485 239 A N -0.560 122.334 122.820 0.124 0.000 2.019 239 A HA -0.149 4.171 4.320 0.001 0.000 0.219 239 A C 1.930 179.540 177.584 0.043 0.000 1.164 239 A CA 0.891 52.972 52.037 0.074 0.000 0.644 239 A CB -0.549 18.469 19.000 0.030 0.000 0.805 239 A HN 0.313 nan 8.150 nan 0.000 0.449 240 F N -2.397 117.468 119.950 -0.142 0.000 2.419 240 F HA 0.174 4.702 4.527 0.001 0.000 0.283 240 F C 1.716 177.430 175.800 -0.144 0.000 1.044 240 F CA 0.590 58.376 58.000 -0.355 0.000 1.376 240 F CB 0.222 38.865 39.000 -0.594 0.000 1.131 240 F HN 0.176 nan 8.300 nan 0.000 0.585 241 Y N 0.941 121.493 120.300 0.420 0.000 2.546 241 Y HA 0.208 4.758 4.550 0.001 0.000 0.287 241 Y C 0.375 176.389 175.900 0.189 0.000 1.158 241 Y CA 0.350 58.644 58.100 0.324 0.000 1.307 241 Y CB -0.211 38.428 38.460 0.298 0.000 1.036 241 Y HN -0.141 nan 8.280 nan 0.000 0.532 242 K N -1.825 118.723 120.400 0.246 0.000 2.399 242 K HA 0.543 4.864 4.320 0.001 0.000 0.260 242 K C 0.670 177.343 176.600 0.121 0.000 1.049 242 K CA -0.507 55.879 56.287 0.166 0.000 0.890 242 K CB 1.832 34.425 32.500 0.153 0.000 1.430 242 K HN 0.057 nan 8.250 nan 0.000 0.459 243 G N 1.435 110.288 108.800 0.087 0.000 2.632 243 G HA2 -0.408 3.553 3.960 0.001 0.000 0.322 243 G HA3 -0.408 3.553 3.960 0.001 0.000 0.322 243 G C 0.690 175.626 174.900 0.061 0.000 1.326 243 G CA 1.348 46.487 45.100 0.065 0.000 0.986 243 G HN 0.641 nan 8.290 nan 0.000 0.541 244 K N -0.283 120.159 120.400 0.069 0.000 2.242 244 K HA 0.300 4.621 4.320 0.001 0.000 0.200 244 K C 2.266 178.884 176.600 0.030 0.000 1.050 244 K CA 1.615 57.924 56.287 0.037 0.000 0.981 244 K CB -0.330 32.195 32.500 0.041 0.000 0.795 244 K HN 0.478 nan 8.250 nan 0.000 0.477 245 F N 1.058 120.963 119.950 -0.075 0.000 2.134 245 F HA -0.022 4.506 4.527 0.001 0.000 0.299 245 F C 1.862 177.539 175.800 -0.205 0.000 1.097 245 F CA 1.662 59.577 58.000 -0.142 0.000 1.264 245 F CB -0.443 38.452 39.000 -0.176 0.000 1.001 245 F HN 0.091 nan 8.300 nan 0.000 0.479 246 A N 0.456 123.251 122.820 -0.041 0.000 1.908 246 A HA -0.264 4.057 4.320 0.001 0.000 0.218 246 A C 2.311 179.779 177.584 -0.195 0.000 1.181 246 A CA 2.009 53.964 52.037 -0.136 0.000 0.627 246 A CB -0.921 18.092 19.000 0.021 0.000 0.818 246 A HN 0.508 nan 8.150 nan 0.000 0.445 247 K N -0.980 119.344 120.400 -0.127 0.000 2.026 247 K HA -0.169 4.152 4.320 0.001 0.000 0.208 247 K C 2.252 178.753 176.600 -0.165 0.000 1.048 247 K CA 1.977 58.200 56.287 -0.106 0.000 0.929 247 K CB -0.374 32.091 32.500 -0.058 0.000 0.713 247 K HN 0.504 nan 8.250 nan 0.000 0.439 248 T N 0.508 114.920 114.554 -0.237 0.000 2.857 248 T HA -0.113 4.237 4.350 0.001 0.000 0.266 248 T C 1.923 176.413 174.700 -0.351 0.000 1.048 248 T CA 1.089 63.033 62.100 -0.261 0.000 1.139 248 T CB -0.163 68.585 68.868 -0.200 0.000 0.874 248 T HN 0.333 nan 8.240 nan 0.000 0.455 249 L N 0.755 121.622 121.223 -0.594 0.000 2.017 249 L HA -0.047 4.293 4.340 0.001 0.000 0.208 249 L C 2.842 179.548 176.870 -0.273 0.000 1.073 249 L CA 2.019 56.527 54.840 -0.553 0.000 0.745 249 L CB -0.736 40.843 42.059 -0.799 0.000 0.894 249 L HN 0.417 nan 8.230 nan 0.000 0.432 250 S N -0.482 115.089 115.700 -0.215 0.000 2.356 250 S HA -0.240 4.231 4.470 0.001 0.000 0.223 250 S C 1.688 176.245 174.600 -0.073 0.000 1.032 250 S CA 1.766 59.901 58.200 -0.108 0.000 1.005 250 S CB -0.429 62.725 63.200 -0.076 0.000 0.867 250 S HN 0.532 nan 8.310 nan 0.000 0.449 251 D N 0.667 121.017 120.400 -0.084 0.000 2.123 251 D HA -0.061 4.580 4.640 0.001 0.000 0.196 251 D C 2.121 178.412 176.300 -0.015 0.000 0.992 251 D CA 1.674 55.645 54.000 -0.048 0.000 0.833 251 D CB -0.953 39.813 40.800 -0.057 0.000 0.954 251 D HN 0.453 nan 8.370 nan 0.000 0.455 252 T N 0.440 114.979 114.554 -0.025 0.000 2.708 252 T HA -0.099 4.252 4.350 0.001 0.000 0.266 252 T C 2.257 177.047 174.700 0.150 0.000 1.037 252 T CA 0.838 62.975 62.100 0.063 0.000 1.146 252 T CB -0.363 68.501 68.868 -0.006 0.000 0.865 252 T HN -0.031 nan 8.240 nan 0.000 0.435 253 V N 1.586 121.526 119.914 0.042 0.000 2.255 253 V HA -0.251 3.869 4.120 0.001 0.000 0.247 253 V C 2.663 178.824 176.094 0.112 0.000 1.051 253 V CA 1.766 64.102 62.300 0.060 0.000 1.018 253 V CB -0.745 31.079 31.823 0.001 0.000 0.641 253 V HN 0.515 nan 8.190 nan 0.000 0.445 254 Q N 0.021 119.855 119.800 0.057 0.000 2.077 254 Q HA -0.257 4.084 4.340 0.001 0.000 0.206 254 Q C 2.187 178.210 176.000 0.038 0.000 0.989 254 Q CA 2.244 58.070 55.803 0.038 0.000 0.853 254 Q CB -0.696 28.048 28.738 0.009 0.000 0.907 254 Q HN 0.890 nan 8.270 nan 0.000 0.418 255 D N 0.089 120.513 120.400 0.040 0.000 2.221 255 D HA -0.137 4.503 4.640 0.001 0.000 0.204 255 D C 1.301 177.517 176.300 -0.140 0.000 0.982 255 D CA 0.966 54.939 54.000 -0.044 0.000 0.857 255 D CB -0.617 40.149 40.800 -0.056 0.000 0.934 255 D HN 0.241 nan 8.370 nan 0.000 0.475 256 F N -0.772 119.166 119.950 -0.020 0.000 2.732 256 F HA 0.425 4.953 4.527 0.001 0.000 0.303 256 F C 2.223 178.019 175.800 -0.006 0.000 1.110 256 F CA 0.610 58.603 58.000 -0.012 0.000 1.355 256 F CB 0.940 39.934 39.000 -0.010 0.000 1.081 256 F HN 0.365 nan 8.300 nan 0.000 0.565 257 G N -0.077 108.791 108.800 0.114 0.000 2.179 257 G HA2 -0.163 3.798 3.960 0.001 0.000 0.220 257 G HA3 -0.163 3.798 3.960 0.001 0.000 0.220 257 G C 0.572 175.505 174.900 0.053 0.000 0.990 257 G CA -0.370 44.768 45.100 0.063 0.000 0.646 257 G HN 0.683 nan 8.290 nan 0.000 0.517 258 G N -0.219 108.622 108.800 0.068 0.000 2.502 258 G HA2 0.609 4.569 3.960 0.001 0.000 0.305 258 G HA3 0.609 4.569 3.960 0.001 0.000 0.305 258 G C 1.024 175.935 174.900 0.019 0.000 1.190 258 G CA 0.861 45.983 45.100 0.038 0.000 0.933 258 G HN 1.253 nan 8.290 nan 0.000 0.503 259 S N -0.079 115.624 115.700 0.006 0.000 2.540 259 S HA 0.171 4.642 4.470 0.001 0.000 0.218 259 S C 1.048 175.655 174.600 0.011 0.000 0.977 259 S CA -0.294 57.909 58.200 0.004 0.000 0.918 259 S CB -0.232 62.965 63.200 -0.005 0.000 0.806 259 S HN 0.522 nan 8.310 nan 0.000 0.496 260 M N 2.558 122.167 119.600 0.015 0.000 2.250 260 M HA 0.148 4.628 4.480 0.001 0.000 0.337 260 M C -0.449 175.858 176.300 0.013 0.000 1.161 260 M CA 0.835 56.147 55.300 0.020 0.000 1.088 260 M CB 0.599 33.209 32.600 0.017 0.000 1.639 260 M HN 0.192 nan 8.290 nan 0.000 0.447 261 T N 2.908 117.477 114.554 0.025 0.000 2.930 261 T HA 0.246 4.597 4.350 0.001 0.000 0.290 261 T C 0.603 175.322 174.700 0.030 0.000 1.052 261 T CA -0.645 61.469 62.100 0.022 0.000 1.017 261 T CB 1.544 70.431 68.868 0.032 0.000 1.137 261 T HN 0.760 nan 8.240 nan 0.000 0.511 262 E N 1.020 121.233 120.200 0.023 0.000 2.118 262 E HA -0.135 4.216 4.350 0.001 0.000 0.195 262 E C 2.529 179.173 176.600 0.074 0.000 0.992 262 E CA 1.503 57.926 56.400 0.039 0.000 0.804 262 E CB -0.046 29.670 29.700 0.027 0.000 0.741 262 E HN 0.643 nan 8.360 nan 0.000 0.458 263 K N 1.403 121.842 120.400 0.065 0.000 2.097 263 K HA -0.196 4.124 4.320 0.001 0.000 0.206 263 K C 1.618 178.279 176.600 0.102 0.000 1.049 263 K CA 1.862 58.195 56.287 0.077 0.000 0.933 263 K CB -0.855 31.680 32.500 0.058 0.000 0.717 263 K HN 0.057 nan 8.250 nan 0.000 0.442 264 D N 0.603 121.065 120.400 0.103 0.000 2.116 264 D HA -0.133 4.508 4.640 0.001 0.000 0.193 264 D C 1.982 178.404 176.300 0.204 0.000 0.998 264 D CA 1.455 55.536 54.000 0.136 0.000 0.836 264 D CB -0.125 40.744 40.800 0.116 0.000 0.951 264 D HN 0.413 nan 8.370 nan 0.000 0.449 265 L N 0.665 122.013 121.223 0.209 0.000 2.056 265 L HA -0.139 4.201 4.340 0.001 0.000 0.207 265 L C 2.507 179.603 176.870 0.376 0.000 1.078 265 L CA 1.057 56.102 54.840 0.340 0.000 0.749 265 L CB -0.316 41.904 42.059 0.268 0.000 0.901 265 L HN -0.003 nan 8.230 nan 0.000 0.433 266 E N 0.418 120.763 120.200 0.242 0.000 2.118 266 E HA -0.249 4.102 4.350 0.001 0.000 0.195 266 E C 1.758 178.440 176.600 0.137 0.000 0.992 266 E CA 1.556 58.067 56.400 0.185 0.000 0.804 266 E CB -0.002 29.774 29.700 0.126 0.000 0.741 266 E HN 0.560 nan 8.360 nan 0.000 0.458 267 N N -1.067 117.715 118.700 0.137 0.000 2.409 267 N HA -0.104 4.637 4.740 0.001 0.000 0.179 267 N C -0.107 175.442 175.510 0.065 0.000 1.032 267 N CA -0.221 52.881 53.050 0.087 0.000 0.898 267 N CB 0.052 38.592 38.487 0.089 0.000 0.971 267 N HN 0.127 nan 8.380 nan 0.000 0.441 268 Y N 1.892 122.200 120.300 0.012 0.000 2.526 268 Y HA 0.015 4.566 4.550 0.001 0.000 0.330 268 Y C -0.224 175.596 175.900 -0.133 0.000 1.156 268 Y CA 0.277 58.357 58.100 -0.033 0.000 1.419 268 Y CB 0.332 38.795 38.460 0.006 0.000 1.250 268 Y HN -0.042 nan 8.280 nan 0.000 0.540 269 D N 4.168 124.078 120.400 -0.817 0.000 2.552 269 D HA 0.297 4.938 4.640 0.001 0.000 0.239 269 D C -0.908 174.871 176.300 -0.868 0.000 1.139 269 D CA -0.581 53.049 54.000 -0.616 0.000 0.914 269 D CB 1.367 41.986 40.800 -0.303 0.000 1.461 269 D HN 0.453 nan 8.370 nan 0.000 0.462 270 I N -0.879 119.466 120.570 -0.375 0.000 3.211 270 I HA 0.533 4.704 4.170 0.001 0.000 0.297 270 I C 0.602 176.631 176.117 -0.147 0.000 1.095 270 I CA -0.328 60.861 61.300 -0.185 0.000 1.239 270 I CB 0.337 38.321 38.000 -0.026 0.000 1.455 270 I HN 0.308 nan 8.210 nan 0.000 0.630 271 T N 0.927 115.446 114.554 -0.058 0.000 2.912 271 T HA 0.677 5.027 4.350 0.001 0.000 0.288 271 T C -0.304 174.412 174.700 0.027 0.000 1.030 271 T CA -0.742 61.348 62.100 -0.016 0.000 1.020 271 T CB 1.304 70.183 68.868 0.018 0.000 1.056 271 T HN 0.487 nan 8.240 nan 0.000 0.480 272 I N 3.033 123.620 120.570 0.028 0.000 2.297 272 I HA 0.365 4.536 4.170 0.001 0.000 0.291 272 I C -0.415 175.749 176.117 0.077 0.000 1.033 272 I CA -0.485 60.850 61.300 0.058 0.000 1.253 272 I CB 0.475 38.496 38.000 0.034 0.000 1.396 272 I HN 0.696 nan 8.210 nan 0.000 0.476 273 D N 4.598 125.062 120.400 0.106 0.000 2.181 273 D HA 0.305 4.945 4.640 0.001 0.000 0.248 273 D C 0.055 176.413 176.300 0.097 0.000 1.020 273 D CA -0.330 53.731 54.000 0.103 0.000 0.891 273 D CB 1.639 42.514 40.800 0.126 0.000 1.187 273 D HN 0.387 nan 8.370 nan 0.000 0.443 274 E N 1.504 121.756 120.200 0.087 0.000 2.200 274 E HA 0.349 4.699 4.350 0.001 0.000 0.283 274 E C -2.492 174.152 176.600 0.074 0.000 1.015 274 E CA -1.988 54.475 56.400 0.105 0.000 0.819 274 E CB 0.884 30.654 29.700 0.117 0.000 1.081 274 E HN 0.019 nan 8.360 nan 0.000 0.397 275 P HA 0.050 nan 4.420 nan 0.000 0.267 275 P C -0.602 176.665 177.300 -0.055 0.000 1.200 275 P CA 0.206 63.243 63.100 -0.106 0.000 0.772 275 P CB 0.253 31.775 31.700 -0.297 0.000 0.855 276 I N -1.391 119.093 120.570 -0.143 0.000 2.437 276 I HA 0.630 4.801 4.170 0.001 0.000 0.298 276 I C -0.854 175.182 176.117 -0.135 0.000 0.984 276 I CA -0.790 60.491 61.300 -0.032 0.000 1.214 276 I CB 1.134 39.102 38.000 -0.053 0.000 1.365 276 I HN 0.222 nan 8.210 nan 0.000 0.469 277 W N 3.108 124.386 121.300 -0.036 0.000 2.761 277 W HA 0.793 5.454 4.660 0.001 0.000 0.340 277 W C 0.075 176.578 176.519 -0.026 0.000 1.072 277 W CA -0.519 56.812 57.345 -0.024 0.000 1.215 277 W CB 2.291 31.746 29.460 -0.007 0.000 1.420 277 W HN 0.765 nan 8.180 nan 0.000 0.519 278 G N 1.254 110.191 108.800 0.229 0.000 2.659 278 G HA2 0.453 4.414 3.960 0.001 0.000 0.296 278 G HA3 0.453 4.414 3.960 0.001 0.000 0.296 278 G C -1.643 173.370 174.900 0.188 0.000 1.369 278 G CA -0.775 44.415 45.100 0.149 0.000 0.937 278 G HN 0.270 nan 8.290 nan 0.000 0.485 279 D N -0.118 120.374 120.400 0.153 0.000 2.256 279 D HA 0.412 5.052 4.640 0.001 0.000 0.250 279 D C -1.309 175.129 176.300 0.230 0.000 1.093 279 D CA 0.463 54.561 54.000 0.163 0.000 0.882 279 D CB 2.196 43.048 40.800 0.086 0.000 1.185 279 D HN 0.300 nan 8.370 nan 0.000 0.437 280 Y N 2.186 122.545 120.300 0.098 0.000 2.287 280 Y HA 0.024 4.575 4.550 0.001 0.000 0.325 280 Y C -0.479 175.521 175.900 0.167 0.000 1.139 280 Y CA -0.666 57.495 58.100 0.102 0.000 1.167 280 Y CB 0.645 39.155 38.460 0.084 0.000 1.158 280 Y HN 0.218 nan 8.280 nan 0.000 0.434 281 Q N 4.267 123.870 119.800 -0.329 0.000 2.457 281 Q HA -0.242 4.098 4.340 0.001 0.000 0.283 281 Q C 1.132 177.076 176.000 -0.094 0.000 1.234 281 Q CA 1.745 57.374 55.803 -0.289 0.000 0.877 281 Q CB -1.775 26.654 28.738 -0.516 0.000 1.250 281 Q HN 1.691 nan 8.270 nan 0.000 0.481 282 G N -2.186 106.550 108.800 -0.107 0.000 2.195 282 G HA2 -0.349 3.612 3.960 0.001 0.000 0.246 282 G HA3 -0.349 3.612 3.960 0.001 0.000 0.246 282 G C -0.098 174.603 174.900 -0.332 0.000 0.984 282 G CA 0.374 45.336 45.100 -0.229 0.000 0.633 282 G HN 0.356 nan 8.290 nan 0.000 0.525 283 Y N 0.583 120.898 120.300 0.024 0.000 2.432 283 Y HA 0.680 5.231 4.550 0.001 0.000 0.322 283 Y C 0.922 176.899 175.900 0.129 0.000 1.246 283 Y CA -0.598 57.552 58.100 0.083 0.000 1.268 283 Y CB 0.910 39.446 38.460 0.127 0.000 1.276 283 Y HN 0.153 nan 8.280 nan 0.000 0.499 284 Q N 1.505 121.499 119.800 0.323 0.000 2.316 284 Q HA 0.516 4.857 4.340 0.001 0.000 0.264 284 Q C -1.295 174.884 176.000 0.298 0.000 0.987 284 Q CA -0.556 55.454 55.803 0.344 0.000 0.852 284 Q CB 2.281 31.270 28.738 0.418 0.000 1.287 284 Q HN 0.522 nan 8.270 nan 0.000 0.448 285 I N 2.050 122.738 120.570 0.196 0.000 2.304 285 I HA 0.389 4.559 4.170 0.001 0.000 0.291 285 I C -0.174 175.800 176.117 -0.238 0.000 1.018 285 I CA -0.542 60.745 61.300 -0.022 0.000 1.260 285 I CB 1.228 39.186 38.000 -0.071 0.000 1.390 285 I HN 0.560 nan 8.210 nan 0.000 0.475 286 A N 5.062 127.546 122.820 -0.560 0.000 2.274 286 A HA 0.730 5.051 4.320 0.001 0.000 0.309 286 A C -0.117 177.125 177.584 -0.570 0.000 1.226 286 A CA -0.217 51.186 52.037 -1.056 0.000 0.853 286 A CB 1.170 19.280 19.000 -1.483 0.000 1.146 286 A HN 0.664 nan 8.150 nan 0.000 0.518 287 T N 0.190 114.454 114.554 -0.484 0.000 2.754 287 T HA 0.682 5.033 4.350 0.001 0.000 0.296 287 T C -0.350 174.184 174.700 -0.275 0.000 1.205 287 T CA 0.223 62.134 62.100 -0.315 0.000 1.009 287 T CB 1.342 70.060 68.868 -0.250 0.000 1.368 287 T HN 1.063 nan 8.240 nan 0.000 0.509 288 T N 2.364 116.767 114.554 -0.252 0.000 2.767 288 T HA 0.682 5.032 4.350 0.001 0.000 0.288 288 T C -2.557 171.994 174.700 -0.248 0.000 0.963 288 T CA -1.451 60.488 62.100 -0.268 0.000 1.019 288 T CB 1.174 69.791 68.868 -0.419 0.000 0.923 288 T HN 0.424 nan 8.240 nan 0.000 0.468 289 P HA 0.388 nan 4.420 nan 0.000 0.279 289 P C -2.801 174.431 177.300 -0.114 0.000 1.276 289 P CA -2.059 60.968 63.100 -0.122 0.000 0.801 289 P CB -0.600 31.069 31.700 -0.051 0.000 1.127 290 P HA 0.018 nan 4.420 nan 0.000 0.265 290 P C -1.610 175.732 177.300 0.070 0.000 1.187 290 P CA -0.533 62.574 63.100 0.011 0.000 0.766 290 P CB -0.795 30.929 31.700 0.041 0.000 0.820 291 P HA -0.034 nan 4.420 nan 0.000 0.247 291 P C 0.204 177.587 177.300 0.139 0.000 1.225 291 P CA 0.663 63.868 63.100 0.176 0.000 0.768 291 P CB 0.223 32.074 31.700 0.252 0.000 1.020 292 S N 0.527 116.171 115.700 -0.094 0.000 2.548 292 S HA 0.215 4.685 4.470 0.001 0.000 0.277 292 S C 1.460 176.016 174.600 -0.074 0.000 1.315 292 S CA -0.178 57.883 58.200 -0.233 0.000 1.050 292 S CB 0.428 63.244 63.200 -0.640 0.000 0.918 292 S HN 0.166 nan 8.310 nan 0.000 0.497 293 S N 3.661 119.373 115.700 0.020 0.000 2.501 293 S HA 0.121 4.591 4.470 0.001 0.000 0.220 293 S C 1.893 176.583 174.600 0.150 0.000 0.997 293 S CA 0.379 58.661 58.200 0.138 0.000 0.919 293 S CB -0.519 62.800 63.200 0.197 0.000 0.778 293 S HN 0.834 nan 8.310 nan 0.000 0.523 294 G N 1.877 110.689 108.800 0.021 0.000 2.402 294 G HA2 0.109 4.069 3.960 0.001 0.000 0.216 294 G HA3 0.109 4.069 3.960 0.001 0.000 0.216 294 G C 1.381 176.244 174.900 -0.062 0.000 1.162 294 G CA 0.551 45.654 45.100 0.004 0.000 0.777 294 G HN 0.600 nan 8.290 nan 0.000 0.539 295 G N 1.180 109.891 108.800 -0.147 0.000 2.433 295 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 295 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 295 G C 1.782 176.548 174.900 -0.225 0.000 1.186 295 G CA 0.868 45.855 45.100 -0.188 0.000 0.779 295 G HN 0.422 nan 8.290 nan 0.000 0.543 296 I N -0.158 120.221 120.570 -0.319 0.000 2.151 296 I HA -0.184 3.987 4.170 0.001 0.000 0.243 296 I C 2.369 178.098 176.117 -0.646 0.000 1.080 296 I CA 1.157 62.126 61.300 -0.553 0.000 1.339 296 I CB -0.218 37.281 38.000 -0.835 0.000 1.039 296 I HN 0.106 nan 8.210 nan 0.000 0.409 297 F N -0.630 119.255 119.950 -0.107 0.000 2.512 297 F HA -0.046 4.482 4.527 0.001 0.000 0.296 297 F C 2.029 177.739 175.800 -0.150 0.000 1.110 297 F CA 0.362 58.282 58.000 -0.135 0.000 1.446 297 F CB -0.576 38.307 39.000 -0.195 0.000 1.092 297 F HN -0.011 nan 8.300 nan 0.000 0.554 298 L N -0.243 120.950 121.223 -0.050 0.000 2.083 298 L HA -0.144 4.197 4.340 0.001 0.000 0.209 298 L C 1.874 178.669 176.870 -0.125 0.000 1.083 298 L CA 1.681 56.460 54.840 -0.102 0.000 0.752 298 L CB -0.657 41.324 42.059 -0.130 0.000 0.899 298 L HN 0.022 nan 8.230 nan 0.000 0.433 299 L N -0.863 120.278 121.223 -0.135 0.000 2.131 299 L HA -0.089 4.252 4.340 0.001 0.000 0.206 299 L C 2.543 179.375 176.870 -0.064 0.000 1.087 299 L CA 1.497 56.272 54.840 -0.108 0.000 0.767 299 L CB -1.210 40.779 42.059 -0.116 0.000 0.917 299 L HN 0.462 nan 8.230 nan 0.000 0.441 300 Q N -1.018 118.742 119.800 -0.067 0.000 2.079 300 Q HA -0.174 4.166 4.340 0.001 0.000 0.200 300 Q C 2.273 178.306 176.000 0.055 0.000 0.974 300 Q CA 1.343 57.154 55.803 0.014 0.000 0.840 300 Q CB 0.056 28.836 28.738 0.071 0.000 0.898 300 Q HN 0.411 nan 8.270 nan 0.000 0.430 301 M N 0.383 120.008 119.600 0.041 0.000 2.080 301 M HA -0.154 4.327 4.480 0.001 0.000 0.260 301 M C -0.779 175.548 176.300 0.044 0.000 1.068 301 M CA 1.733 57.053 55.300 0.033 0.000 1.109 301 M CB -1.267 31.328 32.600 -0.008 0.000 1.342 301 M HN 0.143 nan 8.290 nan 0.000 0.405 302 P HA -0.100 nan 4.420 nan 0.000 0.221 302 P C 0.909 178.292 177.300 0.140 0.000 1.150 302 P CA 1.235 64.391 63.100 0.093 0.000 0.800 302 P CB -0.201 31.523 31.700 0.039 0.000 0.787 303 K N -0.498 119.962 120.400 0.099 0.000 2.057 303 K HA -0.048 4.273 4.320 0.001 0.000 0.206 303 K C 2.085 178.746 176.600 0.103 0.000 1.050 303 K CA 1.130 57.472 56.287 0.090 0.000 0.935 303 K CB -0.518 32.016 32.500 0.056 0.000 0.715 303 K HN 0.168 nan 8.250 nan 0.000 0.439 304 I N 1.097 121.736 120.570 0.116 0.000 2.202 304 I HA -0.275 3.896 4.170 0.001 0.000 0.242 304 I C 2.142 178.433 176.117 0.289 0.000 1.091 304 I CA 1.165 62.563 61.300 0.164 0.000 1.368 304 I CB -0.222 37.861 38.000 0.139 0.000 1.058 304 I HN 0.087 nan 8.210 nan 0.000 0.410 305 L N 0.435 121.799 121.223 0.236 0.000 2.131 305 L HA -0.262 4.079 4.340 0.001 0.000 0.210 305 L C 2.143 179.186 176.870 0.288 0.000 1.092 305 L CA 1.547 56.558 54.840 0.285 0.000 0.759 305 L CB -0.717 41.429 42.059 0.145 0.000 0.903 305 L HN 0.327 nan 8.230 nan 0.000 0.435 306 D N -0.437 120.078 120.400 0.192 0.000 2.133 306 D HA -0.336 4.304 4.640 0.001 0.000 0.192 306 D C 2.096 178.434 176.300 0.063 0.000 1.001 306 D CA 1.704 55.773 54.000 0.114 0.000 0.844 306 D CB 0.040 40.890 40.800 0.084 0.000 0.944 306 D HN 0.408 nan 8.370 nan 0.000 0.447 307 H N -1.102 117.926 119.070 -0.070 0.000 2.390 307 H HA -0.150 4.407 4.556 0.001 0.000 0.298 307 H C 1.395 176.514 175.328 -0.349 0.000 1.106 307 H CA 1.868 57.741 56.048 -0.291 0.000 1.297 307 H CB -0.484 28.950 29.762 -0.547 0.000 1.375 307 H HN 0.286 nan 8.280 nan 0.000 0.509 308 F N -0.147 119.726 119.950 -0.128 0.000 2.780 308 F HA 0.064 4.592 4.527 0.001 0.000 0.299 308 F C 0.950 176.654 175.800 -0.161 0.000 1.146 308 F CA 0.540 58.430 58.000 -0.184 0.000 1.428 308 F CB -0.463 38.501 39.000 -0.061 0.000 1.115 308 F HN 0.160 nan 8.300 nan 0.000 0.583 309 N N 1.394 120.093 118.700 -0.003 0.000 2.614 309 N HA -0.238 4.503 4.740 0.001 0.000 0.276 309 N C 0.805 176.306 175.510 -0.015 0.000 1.119 309 N CA 0.127 53.160 53.050 -0.028 0.000 0.742 309 N CB -1.026 37.414 38.487 -0.078 0.000 0.900 309 N HN 0.410 nan 8.380 nan 0.000 0.549 310 L N -1.009 120.216 121.223 0.004 0.000 2.082 310 L HA -0.310 4.031 4.340 0.001 0.000 0.223 310 L C 1.417 178.241 176.870 -0.077 0.000 1.086 310 L CA 2.279 57.099 54.840 -0.033 0.000 0.793 310 L CB -0.461 41.581 42.059 -0.029 0.000 0.896 310 L HN 0.716 nan 8.230 nan 0.000 0.441 315 V N 0.376 120.232 119.914 -0.097 0.000 3.078 315 V HA 0.030 4.151 4.120 0.001 0.000 0.265 315 V C 1.574 177.566 176.094 -0.170 0.000 1.122 315 V CA 1.785 64.005 62.300 -0.134 0.000 1.141 315 V CB -0.500 31.274 31.823 -0.083 0.000 0.735 315 V HN 0.635 nan 8.190 nan 0.000 0.498 316 R N 0.208 120.663 120.500 -0.075 0.000 2.613 316 R HA 0.238 4.579 4.340 0.001 0.000 0.361 316 R C 0.649 177.035 176.300 0.143 0.000 1.072 316 R CA 0.360 56.491 56.100 0.051 0.000 1.089 316 R CB 0.451 30.833 30.300 0.135 0.000 1.343 316 R HN 0.601 nan 8.270 nan 0.000 0.571 317 S N 0.341 116.027 115.700 -0.022 0.000 2.592 317 S HA 0.031 4.502 4.470 0.001 0.000 0.271 317 S C 1.372 176.035 174.600 0.105 0.000 1.326 317 S CA -1.011 57.187 58.200 -0.004 0.000 1.024 317 S CB 0.637 63.722 63.200 -0.192 0.000 0.921 317 S HN 0.529 nan 8.310 nan 0.000 0.527 318 W N 1.872 123.266 121.300 0.157 0.000 2.374 318 W HA -0.128 4.533 4.660 0.001 0.000 0.288 318 W C 0.760 177.343 176.519 0.108 0.000 1.218 318 W CA 1.272 58.724 57.345 0.178 0.000 1.245 318 W CB -1.054 28.460 29.460 0.090 0.000 1.126 318 W HN 0.702 nan 8.180 nan 0.000 0.545 319 E N 1.249 120.837 120.200 -1.021 0.000 2.058 319 E HA -0.245 4.105 4.350 0.001 0.000 0.194 319 E C 2.249 178.599 176.600 -0.416 0.000 0.997 319 E CA 2.292 58.078 56.400 -1.023 0.000 0.801 319 E CB -0.497 28.625 29.700 -0.963 0.000 0.746 319 E HN 0.059 nan 8.360 nan 0.000 0.450 320 K N 0.044 120.236 120.400 -0.347 0.000 2.026 320 K HA -0.162 4.159 4.320 0.001 0.000 0.208 320 K C 1.951 178.411 176.600 -0.233 0.000 1.048 320 K CA 1.370 57.470 56.287 -0.311 0.000 0.929 320 K CB -0.294 31.963 32.500 -0.405 0.000 0.713 320 K HN 0.221 nan 8.250 nan 0.000 0.439 321 Y N 1.320 121.583 120.300 -0.061 0.000 2.242 321 Y HA -0.188 4.363 4.550 0.001 0.000 0.291 321 Y C 2.739 178.625 175.900 -0.023 0.000 1.137 321 Y CA 1.680 59.767 58.100 -0.021 0.000 1.181 321 Y CB -0.609 37.867 38.460 0.027 0.000 0.989 321 Y HN 0.308 nan 8.280 nan 0.000 0.527 322 Q N 0.725 120.622 119.800 0.160 0.000 2.050 322 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 322 Q C 1.855 177.833 176.000 -0.038 0.000 0.980 322 Q CA 1.825 57.697 55.803 0.114 0.000 0.840 322 Q CB -0.643 28.248 28.738 0.256 0.000 0.898 322 Q HN 0.560 nan 8.270 nan 0.000 0.424 323 L N -0.487 120.659 121.223 -0.129 0.000 2.056 323 L HA -0.138 4.202 4.340 0.001 0.000 0.207 323 L C 2.166 178.928 176.870 -0.180 0.000 1.078 323 L CA 0.381 55.070 54.840 -0.252 0.000 0.749 323 L CB -0.495 41.370 42.059 -0.323 0.000 0.901 323 L HN 0.284 nan 8.230 nan 0.000 0.433 324 L N 0.131 121.289 121.223 -0.108 0.000 2.012 324 L HA -0.209 4.132 4.340 0.001 0.000 0.210 324 L C 2.768 179.597 176.870 -0.069 0.000 1.073 324 L CA 2.217 57.020 54.840 -0.062 0.000 0.748 324 L CB -1.279 40.769 42.059 -0.017 0.000 0.891 324 L HN 0.198 nan 8.230 nan 0.000 0.431 325 A N -1.280 121.490 122.820 -0.084 0.000 1.898 325 A HA -0.155 4.165 4.320 0.001 0.000 0.216 325 A C 2.151 179.521 177.584 -0.358 0.000 1.181 325 A CA 1.333 53.246 52.037 -0.206 0.000 0.620 325 A CB -0.390 18.503 19.000 -0.178 0.000 0.819 325 A HN 0.421 nan 8.150 nan 0.000 0.442 326 E N -0.217 119.851 120.200 -0.219 0.000 2.077 326 E HA -0.132 4.219 4.350 0.001 0.000 0.193 326 E C 2.153 178.710 176.600 -0.073 0.000 0.989 326 E CA 1.760 58.073 56.400 -0.146 0.000 0.800 326 E CB -0.858 28.781 29.700 -0.101 0.000 0.746 326 E HN 0.601 nan 8.360 nan 0.000 0.452 327 T N 1.482 115.985 114.554 -0.084 0.000 2.708 327 T HA -0.121 4.229 4.350 0.001 0.000 0.266 327 T C 2.088 176.796 174.700 0.013 0.000 1.037 327 T CA 1.389 63.474 62.100 -0.025 0.000 1.146 327 T CB -0.192 68.655 68.868 -0.035 0.000 0.865 327 T HN 0.111 nan 8.240 nan 0.000 0.435 328 M N 0.333 119.937 119.600 0.007 0.000 2.082 328 M HA -0.165 4.315 4.480 0.001 0.000 0.258 328 M C 2.351 178.817 176.300 0.277 0.000 1.069 328 M CA 1.549 56.923 55.300 0.123 0.000 1.102 328 M CB -0.520 32.207 32.600 0.212 0.000 1.336 328 M HN 0.241 nan 8.290 nan 0.000 0.404 329 H N 0.084 119.231 119.070 0.129 0.000 2.352 329 H HA -0.123 4.434 4.556 0.001 0.000 0.299 329 H C 1.983 177.357 175.328 0.077 0.000 1.097 329 H CA 1.417 57.526 56.048 0.101 0.000 1.311 329 H CB -0.487 29.307 29.762 0.054 0.000 1.377 329 H HN 0.190 nan 8.280 nan 0.000 0.504 330 L N -0.013 121.320 121.223 0.183 0.000 2.027 330 L HA -0.095 4.246 4.340 0.001 0.000 0.206 330 L C 2.537 179.457 176.870 0.083 0.000 1.074 330 L CA 1.395 56.308 54.840 0.122 0.000 0.745 330 L CB -1.082 41.036 42.059 0.098 0.000 0.898 330 L HN 0.114 nan 8.230 nan 0.000 0.433 331 S N -1.610 114.105 115.700 0.026 0.000 2.368 331 S HA -0.180 4.290 4.470 0.001 0.000 0.224 331 S C 1.948 176.267 174.600 -0.468 0.000 1.029 331 S CA 1.013 59.142 58.200 -0.120 0.000 0.988 331 S CB -0.410 62.730 63.200 -0.100 0.000 0.838 331 S HN 0.345 nan 8.310 nan 0.000 0.462 332 Y N 1.812 121.976 120.300 -0.227 0.000 2.274 332 Y HA -0.061 4.490 4.550 0.001 0.000 0.290 332 Y C 2.583 178.347 175.900 -0.228 0.000 1.145 332 Y CA 0.462 58.403 58.100 -0.265 0.000 1.203 332 Y CB -0.838 37.552 38.460 -0.118 0.000 0.984 332 Y HN 0.262 nan 8.280 nan 0.000 0.533 333 A N 0.054 122.886 122.820 0.020 0.000 1.902 333 A HA -0.209 4.112 4.320 0.001 0.000 0.217 333 A C 1.931 179.493 177.584 -0.035 0.000 1.181 333 A CA 2.090 54.125 52.037 -0.003 0.000 0.623 333 A CB -0.734 18.291 19.000 0.041 0.000 0.818 333 A HN 0.331 nan 8.150 nan 0.000 0.443 334 D N -0.891 119.504 120.400 -0.009 0.000 2.144 334 D HA -0.143 4.498 4.640 0.001 0.000 0.199 334 D C 2.086 178.407 176.300 0.035 0.000 0.984 334 D CA 0.965 55.069 54.000 0.173 0.000 0.834 334 D CB -0.321 40.736 40.800 0.427 0.000 0.955 334 D HN 0.411 nan 8.370 nan 0.000 0.465 335 R N 0.747 120.973 120.500 -0.456 0.000 2.083 335 R HA -0.120 4.220 4.340 0.001 0.000 0.237 335 R C 1.961 178.210 176.300 -0.086 0.000 1.137 335 R CA 1.540 57.415 56.100 -0.374 0.000 0.951 335 R CB -0.285 29.649 30.300 -0.611 0.000 0.851 335 R HN 0.123 nan 8.270 nan 0.000 0.434 336 A N -0.208 122.549 122.820 -0.105 0.000 1.969 336 A HA -0.076 4.245 4.320 0.001 0.000 0.218 336 A C 2.207 179.721 177.584 -0.116 0.000 1.169 336 A CA 1.696 53.685 52.037 -0.080 0.000 0.635 336 A CB -0.259 18.698 19.000 -0.071 0.000 0.810 336 A HN 0.411 nan 8.150 nan 0.000 0.445 337 S N -2.170 113.399 115.700 -0.219 0.000 2.425 337 S HA 0.053 4.524 4.470 0.001 0.000 0.225 337 S C 1.060 175.420 174.600 -0.400 0.000 1.024 337 S CA 0.943 58.871 58.200 -0.454 0.000 0.951 337 S CB -0.225 62.403 63.200 -0.952 0.000 0.796 337 S HN 0.704 nan 8.310 nan 0.000 0.498 338 Y N 0.089 120.480 120.300 0.153 0.000 2.499 338 Y HA 0.572 5.123 4.550 0.001 0.000 0.253 338 Y C 0.511 176.457 175.900 0.077 0.000 1.105 338 Y CA -1.000 57.213 58.100 0.189 0.000 1.240 338 Y CB 0.060 38.637 38.460 0.196 0.000 1.289 338 Y HN 0.103 nan 8.280 nan 0.000 0.534 339 A N 0.410 123.329 122.820 0.165 0.000 2.305 339 A HA 0.835 5.156 4.320 0.001 0.000 0.322 339 A C 0.474 178.070 177.584 0.019 0.000 1.187 339 A CA 0.242 52.356 52.037 0.129 0.000 0.825 339 A CB 0.412 19.542 19.000 0.216 0.000 1.164 339 A HN 0.334 nan 8.150 nan 0.000 0.498 340 G N 0.308 109.125 108.800 0.029 0.000 2.554 340 G HA2 0.447 4.408 3.960 0.001 0.000 0.306 340 G HA3 0.447 4.408 3.960 0.001 0.000 0.306 340 G C -1.658 173.291 174.900 0.081 0.000 1.320 340 G CA -0.581 44.533 45.100 0.023 0.000 0.800 340 G HN 0.625 nan 8.290 nan 0.000 0.481 341 D N 0.965 121.425 120.400 0.099 0.000 2.412 341 D HA 0.197 4.837 4.640 0.001 0.000 0.257 341 D C -0.848 175.590 176.300 0.230 0.000 1.217 341 D CA -1.604 52.497 54.000 0.169 0.000 0.897 341 D CB 1.709 42.608 40.800 0.166 0.000 1.132 341 D HN 0.042 nan 8.370 nan 0.000 0.493 342 P HA -0.064 nan 4.420 nan 0.000 0.233 342 P C 0.630 178.027 177.300 0.160 0.000 1.167 342 P CA 0.595 63.795 63.100 0.167 0.000 0.770 342 P CB 0.370 32.141 31.700 0.119 0.000 0.837 343 E N -1.299 119.021 120.200 0.200 0.000 2.268 343 E HA -0.089 4.262 4.350 0.001 0.000 0.195 343 E C 0.980 177.544 176.600 -0.060 0.000 0.995 343 E CA 0.993 57.444 56.400 0.085 0.000 0.836 343 E CB -0.254 29.518 29.700 0.120 0.000 0.763 343 E HN 0.363 nan 8.360 nan 0.000 0.491 344 F N -0.708 119.291 119.950 0.081 0.000 2.619 344 F HA 0.088 4.616 4.527 0.001 0.000 0.281 344 F C 0.705 176.580 175.800 0.124 0.000 1.065 344 F CA -0.291 57.762 58.000 0.089 0.000 1.304 344 F CB 0.776 39.824 39.000 0.080 0.000 1.059 344 F HN -0.221 nan 8.300 nan 0.000 0.648 345 V N -1.695 118.413 119.914 0.322 0.000 2.876 345 V HA 0.561 4.682 4.120 0.001 0.000 0.312 345 V C -0.719 175.585 176.094 0.351 0.000 1.085 345 V CA -1.058 61.445 62.300 0.337 0.000 0.945 345 V CB 1.784 33.756 31.823 0.248 0.000 1.017 345 V HN 0.049 nan 8.190 nan 0.000 0.428 346 N N 2.590 121.581 118.700 0.486 0.000 2.448 346 N HA 0.310 5.050 4.740 0.001 0.000 0.250 346 N C -0.553 175.309 175.510 0.587 0.000 1.136 346 N CA 0.005 53.337 53.050 0.469 0.000 0.953 346 N CB 0.511 39.259 38.487 0.435 0.000 1.251 346 N HN 0.691 nan 8.380 nan 0.000 0.502 347 V N 5.939 126.049 119.914 0.327 0.000 2.488 347 V HA 0.246 4.366 4.120 0.001 0.000 0.277 347 V C -1.567 174.515 176.094 -0.020 0.000 1.046 347 V CA -1.199 61.220 62.300 0.200 0.000 0.986 347 V CB 1.222 33.107 31.823 0.104 0.000 0.989 347 V HN 0.563 nan 8.190 nan 0.000 0.475 348 P HA 0.112 nan 4.420 nan 0.000 0.226 348 P C 1.061 178.070 177.300 -0.485 0.000 1.783 348 P CA -0.037 62.596 63.100 -0.777 0.000 0.980 348 P CB 0.428 31.075 31.700 -1.755 0.000 1.967 349 L N 1.394 122.457 121.223 -0.266 0.000 2.051 349 L HA -0.230 4.111 4.340 0.001 0.000 0.214 349 L C 2.481 179.223 176.870 -0.214 0.000 1.076 349 L CA 1.989 56.701 54.840 -0.213 0.000 0.758 349 L CB -0.246 41.737 42.059 -0.127 0.000 0.890 349 L HN 0.079 nan 8.230 nan 0.000 0.433 350 K N -1.204 119.089 120.400 -0.179 0.000 2.155 350 K HA -0.081 4.240 4.320 0.001 0.000 0.203 350 K C 1.729 178.270 176.600 -0.098 0.000 1.052 350 K CA 1.327 57.566 56.287 -0.079 0.000 0.948 350 K CB -0.115 32.370 32.500 -0.025 0.000 0.728 350 K HN 0.420 nan 8.250 nan 0.000 0.448 351 G N 0.703 109.354 108.800 -0.249 0.000 2.645 351 G HA2 -0.023 3.938 3.960 0.001 0.000 0.207 351 G HA3 -0.023 3.938 3.960 0.001 0.000 0.207 351 G C 1.368 175.976 174.900 -0.486 0.000 1.145 351 G CA -0.116 44.810 45.100 -0.290 0.000 0.831 351 G HN 0.146 nan 8.290 nan 0.000 0.563 352 L N -0.030 120.855 121.223 -0.564 0.000 2.187 352 L HA 0.084 4.425 4.340 0.001 0.000 0.213 352 L C 1.728 178.506 176.870 -0.153 0.000 1.100 352 L CA 0.842 55.384 54.840 -0.496 0.000 0.765 352 L CB -0.087 41.761 42.059 -0.353 0.000 0.904 352 L HN 0.154 nan 8.230 nan 0.000 0.437 353 L N -2.360 118.790 121.223 -0.121 0.000 3.267 353 L HA 0.189 4.530 4.340 0.001 0.000 0.289 353 L C 0.116 176.973 176.870 -0.023 0.000 1.260 353 L CA -0.554 54.262 54.840 -0.040 0.000 1.034 353 L CB 0.022 42.029 42.059 -0.087 0.000 1.413 353 L HN 0.081 nan 8.230 nan 0.000 0.594 354 H N 1.765 120.774 119.070 -0.102 0.000 2.886 354 H HA 0.051 4.608 4.556 0.001 0.000 0.329 354 H C -1.594 173.657 175.328 -0.128 0.000 1.044 354 H CA -0.756 55.221 56.048 -0.118 0.000 1.456 354 H CB 1.283 30.941 29.762 -0.174 0.000 1.464 354 H HN -0.104 nan 8.280 nan 0.000 0.573 355 P HA -0.177 nan 4.420 nan 0.000 0.215 355 P C 0.804 178.074 177.300 -0.050 0.000 1.153 355 P CA 1.367 64.384 63.100 -0.138 0.000 0.853 355 P CB 0.341 31.920 31.700 -0.202 0.000 0.788 356 D N -2.097 118.347 120.400 0.074 0.000 2.178 356 D HA -0.169 4.471 4.640 0.001 0.000 0.202 356 D C 1.889 177.999 176.300 -0.318 0.000 0.974 356 D CA 1.018 54.992 54.000 -0.043 0.000 0.841 356 D CB -0.845 40.023 40.800 0.115 0.000 0.953 356 D HN 0.210 nan 8.370 nan 0.000 0.478 357 Y N 1.686 121.541 120.300 -0.742 0.000 2.145 357 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 357 Y C 2.154 177.946 175.900 -0.180 0.000 1.145 357 Y CA 1.077 58.854 58.100 -0.538 0.000 1.148 357 Y CB -0.203 37.967 38.460 -0.484 0.000 0.981 357 Y HN -0.169 nan 8.280 nan 0.000 0.507 358 I N 0.790 121.302 120.570 -0.098 0.000 2.151 358 I HA -0.360 3.811 4.170 0.001 0.000 0.243 358 I C 2.178 178.210 176.117 -0.142 0.000 1.080 358 I CA 1.733 62.977 61.300 -0.095 0.000 1.339 358 I CB -1.315 36.673 38.000 -0.019 0.000 1.039 358 I HN 0.304 nan 8.210 nan 0.000 0.409 359 K N 0.508 120.826 120.400 -0.138 0.000 2.032 359 K HA -0.201 4.120 4.320 0.001 0.000 0.209 359 K C 2.018 178.532 176.600 -0.143 0.000 1.048 359 K CA 1.447 57.650 56.287 -0.141 0.000 0.927 359 K CB -0.195 32.240 32.500 -0.108 0.000 0.712 359 K HN 0.378 nan 8.250 nan 0.000 0.441 360 E N 0.216 120.321 120.200 -0.158 0.000 2.097 360 E HA -0.198 4.153 4.350 0.001 0.000 0.196 360 E C 2.115 178.617 176.600 -0.164 0.000 1.000 360 E CA 1.072 57.389 56.400 -0.139 0.000 0.804 360 E CB 0.120 29.738 29.700 -0.136 0.000 0.740 360 E HN 0.178 nan 8.360 nan 0.000 0.454 361 R N 0.548 120.894 120.500 -0.256 0.000 2.073 361 R HA -0.068 4.273 4.340 0.001 0.000 0.229 361 R C 2.213 178.501 176.300 -0.020 0.000 1.120 361 R CA 0.976 56.978 56.100 -0.163 0.000 0.967 361 R CB -0.620 29.557 30.300 -0.206 0.000 0.862 361 R HN 0.339 nan 8.270 nan 0.000 0.436 362 Q N 0.700 120.496 119.800 -0.007 0.000 2.181 362 Q HA -0.194 4.146 4.340 0.001 0.000 0.205 362 Q C 2.435 178.496 176.000 0.101 0.000 0.980 362 Q CA 2.200 58.067 55.803 0.107 0.000 0.862 362 Q CB -0.285 28.400 28.738 -0.087 0.000 0.905 362 Q HN 0.574 nan 8.270 nan 0.000 0.429 363 Q N 0.100 119.895 119.800 -0.008 0.000 2.297 363 Q HA -0.058 4.282 4.340 0.001 0.000 0.204 363 Q C 1.776 177.813 176.000 0.062 0.000 0.962 363 Q CA 0.894 56.700 55.803 0.005 0.000 0.879 363 Q CB -0.244 28.476 28.738 -0.029 0.000 0.947 363 Q HN 0.203 nan 8.270 nan 0.000 0.462 364 L N -0.261 121.001 121.223 0.065 0.000 2.552 364 L HA 0.317 4.658 4.340 0.001 0.000 0.227 364 L C 0.626 177.552 176.870 0.093 0.000 1.146 364 L CA 0.419 55.301 54.840 0.069 0.000 0.858 364 L CB -0.283 41.806 42.059 0.050 0.000 0.969 364 L HN 0.432 nan 8.230 nan 0.000 0.451 365 I N 0.323 120.980 120.570 0.145 0.000 2.377 365 I HA 0.225 4.396 4.170 0.001 0.000 0.293 365 I C -0.186 176.030 176.117 0.165 0.000 0.987 365 I CA -0.315 61.049 61.300 0.107 0.000 1.185 365 I CB 1.195 39.203 38.000 0.013 0.000 1.341 365 I HN 0.047 nan 8.210 nan 0.000 0.455 366 N N 6.274 125.030 118.700 0.093 0.000 2.296 366 N HA 0.329 5.069 4.740 0.001 0.000 0.294 366 N C 0.707 176.275 175.510 0.096 0.000 1.033 366 N CA -0.628 52.500 53.050 0.130 0.000 0.839 366 N CB 3.004 41.560 38.487 0.115 0.000 1.395 366 N HN 0.574 nan 8.380 nan 0.000 0.479 367 L N 0.917 122.216 121.223 0.127 0.000 2.013 367 L HA -0.210 4.131 4.340 0.001 0.000 0.212 367 L C -0.110 176.925 176.870 0.275 0.000 1.073 367 L CA 1.962 56.883 54.840 0.136 0.000 0.753 367 L CB 0.039 42.173 42.059 0.124 0.000 0.890 367 L HN 0.620 nan 8.230 nan 0.000 0.432 368 D N -1.867 118.672 120.400 0.230 0.000 2.945 368 D HA 0.347 4.987 4.640 0.001 0.000 0.369 368 D C 0.044 176.404 176.300 0.101 0.000 1.294 368 D CA -0.052 54.068 54.000 0.200 0.000 0.778 368 D CB 0.273 41.199 40.800 0.209 0.000 1.188 368 D HN 0.218 nan 8.370 nan 0.000 0.479 369 Q N -0.362 119.493 119.800 0.092 0.000 2.892 369 Q HA 0.858 5.199 4.340 0.001 0.000 0.307 369 Q C -0.710 175.332 176.000 0.071 0.000 1.039 369 Q CA -0.740 55.102 55.803 0.066 0.000 0.792 369 Q CB 1.455 30.222 28.738 0.049 0.000 1.504 369 Q HN 0.622 nan 8.270 nan 0.000 0.487 370 V N 0.004 119.954 119.914 0.059 0.000 2.483 370 V HA 0.655 4.775 4.120 0.001 0.000 0.295 370 V C -0.354 175.782 176.094 0.070 0.000 1.035 370 V CA -0.749 61.594 62.300 0.070 0.000 0.896 370 V CB 1.588 33.458 31.823 0.078 0.000 0.986 370 V HN 0.908 nan 8.190 nan 0.000 0.447 371 N N 4.854 123.604 118.700 0.084 0.000 2.400 371 N HA 0.211 4.952 4.740 0.001 0.000 0.267 371 N C 1.054 176.609 175.510 0.076 0.000 1.208 371 N CA 0.824 53.921 53.050 0.077 0.000 0.951 371 N CB 1.368 39.906 38.487 0.084 0.000 1.227 371 N HN 0.989 nan 8.380 nan 0.000 0.488 372 K N 2.297 122.724 120.400 0.045 0.000 2.442 372 K HA -0.057 4.264 4.320 0.001 0.000 0.198 372 K C 1.245 177.842 176.600 -0.004 0.000 1.042 372 K CA 1.846 58.145 56.287 0.019 0.000 0.958 372 K CB -0.766 31.743 32.500 0.014 0.000 0.766 372 K HN 0.720 nan 8.250 nan 0.000 0.474 373 K N 1.672 122.076 120.400 0.007 0.000 3.309 373 K HA 0.324 4.645 4.320 0.001 0.000 0.187 373 K C -2.904 173.702 176.600 0.011 0.000 1.085 373 K CA -0.978 55.309 56.287 0.000 0.000 0.867 373 K CB -0.001 32.506 32.500 0.011 0.000 0.846 373 K HN 0.367 nan 8.250 nan 0.000 0.522 374 P HA 0.301 nan 4.420 nan 0.000 0.271 374 P C -0.866 176.448 177.300 0.024 0.000 1.216 374 P CA 0.146 63.265 63.100 0.032 0.000 0.771 374 P CB 0.962 32.691 31.700 0.047 0.000 0.864 375 K N 1.025 121.458 120.400 0.055 0.000 2.482 375 K HA 0.628 4.949 4.320 0.001 0.000 0.257 375 K C -0.504 176.160 176.600 0.107 0.000 0.969 375 K CA -1.054 55.270 56.287 0.062 0.000 0.842 375 K CB 2.384 34.924 32.500 0.066 0.000 1.359 375 K HN 0.448 nan 8.250 nan 0.000 0.441 376 A N 0.996 123.885 122.820 0.116 0.000 2.561 376 A HA 0.318 4.639 4.320 0.001 0.000 0.234 376 A C 0.593 178.364 177.584 0.312 0.000 1.055 376 A CA 0.789 52.958 52.037 0.219 0.000 0.756 376 A CB -0.219 18.860 19.000 0.131 0.000 0.986 376 A HN 0.775 nan 8.150 nan 0.000 0.505 377 G N -0.131 108.937 108.800 0.446 0.000 2.494 377 G HA2 0.419 4.379 3.960 0.001 0.000 0.270 377 G HA3 0.419 4.379 3.960 0.001 0.000 0.270 377 G C -0.560 174.659 174.900 0.531 0.000 1.423 377 G CA 0.258 45.640 45.100 0.470 0.000 1.055 377 G HN 0.729 nan 8.290 nan 0.000 0.536 378 D N -0.651 120.066 120.400 0.529 0.000 2.434 378 D HA 0.347 4.988 4.640 0.001 0.000 0.275 378 D C -1.589 174.800 176.300 0.148 0.000 1.172 378 D CA -1.964 52.242 54.000 0.342 0.000 0.916 378 D CB 1.485 42.458 40.800 0.288 0.000 1.041 378 D HN -0.034 nan 8.370 nan 0.000 0.501 379 P HA 0.018 nan 4.420 nan 0.000 0.236 379 P C 1.147 178.216 177.300 -0.384 0.000 1.177 379 P CA 0.332 63.000 63.100 -0.720 0.000 0.773 379 P CB 0.050 31.026 31.700 -1.207 0.000 0.878 380 W N 1.390 122.577 121.300 -0.189 0.000 2.465 380 W HA 0.025 4.685 4.660 0.001 0.000 0.268 380 W C 2.140 178.559 176.519 -0.167 0.000 1.242 380 W CA 0.415 57.669 57.345 -0.151 0.000 1.248 380 W CB -0.631 28.759 29.460 -0.117 0.000 1.118 380 W HN -0.051 nan 8.180 nan 0.000 0.587 381 K N -0.481 119.892 120.400 -0.045 0.000 2.218 381 K HA -0.201 4.119 4.320 0.001 0.000 0.205 381 K C 0.683 176.939 176.600 -0.575 0.000 1.046 381 K CA 1.331 57.394 56.287 -0.375 0.000 0.933 381 K CB -0.494 31.595 32.500 -0.685 0.000 0.728 381 K HN 0.332 nan 8.250 nan 0.000 0.454 382 Y N 0.564 120.778 120.300 -0.144 0.000 2.555 382 Y HA 0.088 4.638 4.550 0.001 0.000 0.259 382 Y C 0.376 176.161 175.900 -0.191 0.000 1.179 382 Y CA -0.660 57.259 58.100 -0.302 0.000 1.230 382 Y CB 0.504 38.678 38.460 -0.476 0.000 1.146 382 Y HN 0.118 nan 8.280 nan 0.000 0.526 383 Q N -2.009 117.795 119.800 0.007 0.000 2.630 383 Q HA 0.677 5.018 4.340 0.001 0.000 0.295 383 Q C -0.710 175.356 176.000 0.110 0.000 0.944 383 Q CA -0.888 54.944 55.803 0.049 0.000 0.766 383 Q CB 0.916 29.656 28.738 0.004 0.000 1.471 383 Q HN 0.020 nan 8.270 nan 0.000 0.416 384 E N 0.096 120.365 120.200 0.114 0.000 2.405 384 E HA 0.597 4.947 4.350 0.001 0.000 0.253 384 E C 0.843 177.564 176.600 0.201 0.000 1.257 384 E CA -0.032 56.438 56.400 0.117 0.000 0.960 384 E CB -0.429 29.319 29.700 0.079 0.000 1.077 384 E HN 1.512 nan 8.360 nan 0.000 0.512 385 G N -0.795 108.072 108.800 0.110 0.000 2.641 385 G HA2 0.199 4.160 3.960 0.001 0.000 0.254 385 G HA3 0.199 4.160 3.960 0.001 0.000 0.254 385 G C 0.459 175.294 174.900 -0.110 0.000 1.315 385 G CA 1.030 46.162 45.100 0.054 0.000 0.907 385 G HN 2.136 nan 8.290 nan 0.000 0.572 386 S N -1.649 113.795 115.700 -0.427 0.000 2.565 386 S HA 0.849 5.320 4.470 0.001 0.000 0.269 386 S C -0.140 173.745 174.600 -1.191 0.000 1.153 386 S CA 0.366 57.962 58.200 -1.007 0.000 0.835 386 S CB 1.459 64.333 63.200 -0.543 0.000 1.122 386 S HN 2.500 nan 8.310 nan 0.000 0.462 387 A N 2.023 123.950 122.820 -1.488 0.000 2.488 387 A HA 0.430 4.751 4.320 0.001 0.000 0.249 387 A C 0.763 177.958 177.584 -0.649 0.000 1.083 387 A CA -0.410 51.042 52.037 -0.974 0.000 0.768 387 A CB -0.429 17.969 19.000 -1.004 0.000 1.017 387 A HN 0.890 nan 8.150 nan 0.000 0.496 388 N N 1.631 120.082 118.700 -0.415 0.000 2.758 388 N HA 0.321 5.061 4.740 0.001 0.000 0.293 388 N C -0.904 174.619 175.510 0.021 0.000 1.273 388 N CA -0.174 52.790 53.050 -0.144 0.000 1.022 388 N CB -0.599 37.913 38.487 0.041 0.000 1.334 388 N HN 0.634 nan 8.380 nan 0.000 0.519 389 Y N -4.756 115.579 120.300 0.059 0.000 2.732 389 Y HA 0.665 5.215 4.550 0.001 0.000 0.342 389 Y C -0.568 175.372 175.900 0.067 0.000 1.203 389 Y CA -1.497 56.649 58.100 0.077 0.000 1.092 389 Y CB -0.023 38.507 38.460 0.116 0.000 1.345 389 Y HN 0.121 nan 8.280 nan 0.000 0.458 390 K N 0.364 120.919 120.400 0.258 0.000 2.258 390 K HA 0.761 5.081 4.320 0.001 0.000 0.236 390 K C -0.791 175.930 176.600 0.200 0.000 1.008 390 K CA -1.167 55.210 56.287 0.150 0.000 0.869 390 K CB 1.015 33.572 32.500 0.095 0.000 1.171 390 K HN 0.669 nan 8.250 nan 0.000 0.447 391 Q N 1.275 121.150 119.800 0.125 0.000 2.322 391 Q HA 0.426 4.767 4.340 0.001 0.000 0.256 391 Q C -0.661 175.375 176.000 0.060 0.000 0.960 391 Q CA -0.626 55.231 55.803 0.090 0.000 0.934 391 Q CB 0.956 29.732 28.738 0.063 0.000 1.200 391 Q HN 0.586 nan 8.270 nan 0.000 0.435 392 V N -0.359 119.585 119.914 0.049 0.000 2.577 392 V HA 0.676 4.797 4.120 0.001 0.000 0.303 392 V C -0.263 175.842 176.094 0.018 0.000 1.042 392 V CA -0.438 61.883 62.300 0.036 0.000 0.872 392 V CB 1.431 33.282 31.823 0.046 0.000 0.998 392 V HN 0.832 nan 8.190 nan 0.000 0.423 393 E N 4.516 124.724 120.200 0.013 0.000 2.413 393 E HA 0.489 4.839 4.350 0.001 0.000 0.263 393 E C -0.226 176.376 176.600 0.004 0.000 1.015 393 E CA -0.271 56.130 56.400 0.002 0.000 0.916 393 E CB 0.516 30.217 29.700 0.001 0.000 0.947 393 E HN 0.865 nan 8.360 nan 0.000 0.440 394 Q N 0.000 119.795 119.800 -0.008 0.000 2.315 394 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 394 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 394 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 394 Q HN 0.000 nan 8.270 nan 0.000 0.481