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 1e2m_1_A DATA FIRST_RESID 46 DATA SEQUENCE MPTLLRVYID GPHGMGKTTT TQLLXXXXXR DDIVYVPEPM TYWRVLGASE DATA SEQUENCE TIANIYTTQH RLDQGEISAG DAAVVMTSAQ ITMGMPYAVT DAVLAPHIGG DATA SEQUENCE EAGSXXXXPP ALTLIFDRHP IAALLCYPAA RYLMGSMTPQ AVLAFVALIP DATA SEQUENCE PTLPGTNIVL GALPEDRHID RLAKRQRPGE RLDLAMLAAI RRVYGLLANT DATA SEQUENCE VRYLQCGGSW REDWGQLSGX XXXXXXXXXX XXXXPRPHIG DTLFTLFRAP DATA SEQUENCE ELLAPNGDLY NVFAWALDVL AKRLRSMHVF ILDYDQSPAG CRDALLQLTS DATA SEQUENCE GMVQTHVTTP GSIPTICDLA RTFAREMGE 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 46 M HA 0.000 nan 4.480 nan 0.000 0.227 46 M C 0.000 176.407 176.300 0.179 0.000 1.140 46 M CA 0.000 55.358 55.300 0.097 0.000 0.988 46 M CB 0.000 32.648 32.600 0.080 0.000 1.302 47 P HA 0.261 nan 4.420 nan 0.000 0.269 47 P C -0.183 177.171 177.300 0.091 0.000 1.217 47 P CA 0.165 63.319 63.100 0.091 0.000 0.783 47 P CB 0.361 32.095 31.700 0.056 0.000 0.898 48 T N -0.488 114.076 114.554 0.017 0.000 2.902 48 T HA 0.658 5.009 4.350 0.001 0.000 0.283 48 T C -0.604 174.075 174.700 -0.034 0.000 1.009 48 T CA -0.788 61.273 62.100 -0.066 0.000 1.051 48 T CB 0.996 69.787 68.868 -0.129 0.000 0.999 48 T HN 0.283 nan 8.240 nan 0.000 0.474 49 L N 2.025 123.227 121.223 -0.035 0.000 2.401 49 L HA 0.804 5.144 4.340 0.001 0.000 0.266 49 L C -1.773 175.095 176.870 -0.005 0.000 0.991 49 L CA -1.166 53.670 54.840 -0.008 0.000 0.818 49 L CB 2.084 44.159 42.059 0.027 0.000 1.321 49 L HN 0.778 nan 8.230 nan 0.000 0.413 50 L N 4.639 125.857 121.223 -0.008 0.000 2.342 50 L HA 0.606 4.947 4.340 0.001 0.000 0.276 50 L C -0.894 175.987 176.870 0.019 0.000 0.997 50 L CA -0.151 54.689 54.840 -0.000 0.000 0.838 50 L CB 0.976 43.014 42.059 -0.034 0.000 1.224 50 L HN 0.612 nan 8.230 nan 0.000 0.416 51 R N 4.357 124.908 120.500 0.085 0.000 2.346 51 R HA 0.725 5.066 4.340 0.001 0.000 0.311 51 R C -1.287 175.066 176.300 0.089 0.000 0.983 51 R CA -0.832 55.342 56.100 0.123 0.000 0.880 51 R CB 1.912 32.362 30.300 0.251 0.000 1.100 51 R HN 0.433 nan 8.270 nan 0.000 0.453 52 V N 4.338 124.264 119.914 0.020 0.000 2.443 52 V HA 0.263 4.384 4.120 0.001 0.000 0.293 52 V C -1.163 174.969 176.094 0.063 0.000 1.021 52 V CA -0.939 61.398 62.300 0.061 0.000 0.848 52 V CB 1.109 32.944 31.823 0.019 0.000 0.998 52 V HN 0.635 nan 8.190 nan 0.000 0.424 53 Y N 4.665 125.120 120.300 0.259 0.000 2.434 53 Y HA 0.544 5.095 4.550 0.001 0.000 0.341 53 Y C 0.430 176.447 175.900 0.195 0.000 0.965 53 Y CA -0.622 57.617 58.100 0.232 0.000 1.205 53 Y CB 1.050 39.598 38.460 0.147 0.000 1.121 53 Y HN 0.494 nan 8.280 nan 0.000 0.507 54 I N 4.368 125.122 120.570 0.306 0.000 2.322 54 I HA 0.114 4.285 4.170 0.001 0.000 0.292 54 I C 0.181 176.440 176.117 0.237 0.000 1.060 54 I CA 0.427 61.878 61.300 0.251 0.000 1.309 54 I CB 0.309 38.445 38.000 0.226 0.000 1.415 54 I HN 0.708 nan 8.210 nan 0.000 0.492 55 D N 3.726 124.249 120.400 0.205 0.000 2.961 55 D HA 0.699 5.340 4.640 0.001 0.000 0.257 55 D C -0.172 176.121 176.300 -0.012 0.000 1.211 55 D CA 0.213 54.303 54.000 0.151 0.000 1.066 55 D CB 2.339 43.274 40.800 0.224 0.000 1.291 55 D HN 0.602 nan 8.370 nan 0.000 0.629 56 G N 0.254 108.849 108.800 -0.342 0.000 2.592 56 G HA2 -0.064 3.897 3.960 0.001 0.000 0.684 56 G HA3 -0.064 3.897 3.960 0.001 0.000 0.684 56 G C -2.946 171.394 174.900 -0.935 0.000 1.291 56 G CA -0.880 43.661 45.100 -0.931 0.000 0.891 56 G HN 0.340 nan 8.290 nan 0.000 0.544 57 P HA 0.200 nan 4.420 nan 0.000 0.269 57 P C 0.275 177.588 177.300 0.021 0.000 1.209 57 P CA 0.011 63.013 63.100 -0.165 0.000 0.776 57 P CB 0.201 31.922 31.700 0.035 0.000 0.876 58 H N 0.768 119.959 119.070 0.201 0.000 2.671 58 H HA 0.311 4.867 4.556 0.001 0.000 0.372 58 H C 1.095 176.537 175.328 0.189 0.000 1.227 58 H CA -0.034 56.115 56.048 0.168 0.000 1.426 58 H CB -0.257 29.640 29.762 0.225 0.000 1.480 58 H HN 0.769 nan 8.280 nan 0.000 0.611 59 G N 1.145 110.012 108.800 0.112 0.000 2.141 59 G HA2 -0.253 3.707 3.960 0.001 0.000 0.242 59 G HA3 -0.253 3.707 3.960 0.001 0.000 0.242 59 G C 0.695 175.536 174.900 -0.098 0.000 0.982 59 G CA 0.475 45.612 45.100 0.062 0.000 0.662 59 G HN 0.593 nan 8.290 nan 0.000 0.527 60 M N -0.642 118.751 119.600 -0.346 0.000 2.514 60 M HA 0.400 4.881 4.480 0.001 0.000 0.258 60 M C 1.818 177.796 176.300 -0.536 0.000 1.159 60 M CA 1.308 56.245 55.300 -0.604 0.000 1.116 60 M CB 0.816 32.843 32.600 -0.954 0.000 1.333 60 M HN 1.114 nan 8.290 nan 0.000 0.487 61 G N 0.924 109.480 108.800 -0.407 0.000 2.173 61 G HA2 -0.150 3.811 3.960 0.001 0.000 0.142 61 G HA3 -0.150 3.811 3.960 0.001 0.000 0.142 61 G C 0.636 175.526 174.900 -0.016 0.000 1.019 61 G CA -0.044 44.966 45.100 -0.151 0.000 0.699 61 G HN 0.331 nan 8.290 nan 0.000 0.495 62 K N 0.205 120.546 120.400 -0.098 0.000 2.020 62 K HA -0.114 4.207 4.320 0.001 0.000 0.212 62 K C 2.563 179.246 176.600 0.139 0.000 1.050 62 K CA 2.110 58.482 56.287 0.142 0.000 0.929 62 K CB -0.502 32.075 32.500 0.128 0.000 0.714 62 K HN 0.295 nan 8.250 nan 0.000 0.443 63 T N 1.005 115.632 114.554 0.121 0.000 2.570 63 T HA -0.214 4.137 4.350 0.001 0.000 0.266 63 T C 2.007 176.745 174.700 0.063 0.000 1.071 63 T CA 2.291 64.470 62.100 0.132 0.000 1.172 63 T CB -0.726 68.223 68.868 0.135 0.000 0.864 63 T HN 0.356 nan 8.240 nan 0.000 0.421 64 T N 1.781 116.370 114.554 0.058 0.000 2.635 64 T HA -0.169 4.181 4.350 0.001 0.000 0.267 64 T C 2.257 176.965 174.700 0.013 0.000 1.040 64 T CA 1.914 64.035 62.100 0.035 0.000 1.156 64 T CB -1.010 67.887 68.868 0.049 0.000 0.863 64 T HN 0.414 nan 8.240 nan 0.000 0.430 65 T N 2.079 116.669 114.554 0.060 0.000 2.684 65 T HA -0.170 4.181 4.350 0.001 0.000 0.267 65 T C 2.502 177.166 174.700 -0.059 0.000 1.036 65 T CA 2.046 64.168 62.100 0.037 0.000 1.148 65 T CB -0.807 68.148 68.868 0.145 0.000 0.863 65 T HN 0.765 nan 8.240 nan 0.000 0.436 66 T N 0.745 115.234 114.554 -0.108 0.000 2.737 66 T HA -0.112 4.238 4.350 0.001 0.000 0.265 66 T C 1.952 176.388 174.700 -0.440 0.000 1.038 66 T CA 1.054 62.955 62.100 -0.332 0.000 1.144 66 T CB -0.544 68.001 68.868 -0.538 0.000 0.866 66 T HN 0.388 nan 8.240 nan 0.000 0.434 67 Q N 1.074 120.675 119.800 -0.332 0.000 1.998 67 Q HA -0.036 4.304 4.340 0.001 0.000 0.209 67 Q C 0.947 176.858 176.000 -0.149 0.000 1.002 67 Q CA 1.174 56.847 55.803 -0.217 0.000 0.858 67 Q CB -0.732 27.963 28.738 -0.073 0.000 0.932 67 Q HN 0.550 nan 8.270 nan 0.000 0.416 68 L N 2.167 123.330 121.223 -0.101 0.000 2.694 68 L HA 0.017 4.358 4.340 0.001 0.000 0.287 68 L C -0.248 176.567 176.870 -0.092 0.000 1.249 68 L CA -0.112 54.684 54.840 -0.073 0.000 1.177 68 L CB -0.971 41.058 42.059 -0.050 0.000 1.435 68 L HN 0.225 nan 8.230 nan 0.000 0.440 76 D N 1.017 121.402 120.400 -0.025 0.000 2.346 76 D HA -0.042 4.598 4.640 0.001 0.000 0.206 76 D C 0.377 176.657 176.300 -0.034 0.000 1.001 76 D CA 1.220 55.204 54.000 -0.027 0.000 0.871 76 D CB 0.260 41.047 40.800 -0.022 0.000 0.943 76 D HN 0.373 nan 8.370 nan 0.000 0.518 77 D N 0.280 120.660 120.400 -0.034 0.000 2.355 77 D HA 0.017 4.657 4.640 0.001 0.000 0.218 77 D C 0.573 176.842 176.300 -0.051 0.000 1.004 77 D CA 0.235 54.212 54.000 -0.039 0.000 0.880 77 D CB 0.308 41.087 40.800 -0.035 0.000 0.911 77 D HN 0.184 nan 8.370 nan 0.000 0.528 78 I N 0.565 121.103 120.570 -0.053 0.000 2.534 78 I HA 0.315 4.486 4.170 0.001 0.000 0.288 78 I C -1.183 174.897 176.117 -0.062 0.000 1.077 78 I CA -1.136 60.125 61.300 -0.065 0.000 1.051 78 I CB 2.711 40.672 38.000 -0.064 0.000 1.234 78 I HN -0.279 nan 8.210 nan 0.000 0.425 79 V N 5.577 125.439 119.914 -0.087 0.000 2.680 79 V HA 0.397 4.517 4.120 0.001 0.000 0.309 79 V C -1.291 174.760 176.094 -0.071 0.000 1.052 79 V CA -0.874 61.376 62.300 -0.083 0.000 0.908 79 V CB 2.313 34.060 31.823 -0.126 0.000 1.001 79 V HN 0.515 nan 8.190 nan 0.000 0.431 80 Y N 3.337 123.526 120.300 -0.185 0.000 2.328 80 Y HA 0.655 5.205 4.550 0.001 0.000 0.336 80 Y C -0.472 175.303 175.900 -0.208 0.000 0.960 80 Y CA -1.198 56.783 58.100 -0.197 0.000 1.134 80 Y CB 1.797 40.191 38.460 -0.111 0.000 1.166 80 Y HN 0.373 nan 8.280 nan 0.000 0.464 81 V N 10.007 129.534 119.914 -0.643 0.000 2.320 81 V HA 0.314 4.434 4.120 0.001 0.000 0.265 81 V C -2.004 173.575 176.094 -0.858 0.000 1.048 81 V CA -1.500 60.359 62.300 -0.735 0.000 0.865 81 V CB 0.314 31.645 31.823 -0.821 0.000 1.043 81 V HN 0.662 nan 8.190 nan 0.000 0.474 82 P HA 0.195 nan 4.420 nan 0.000 0.282 82 P C -0.210 177.038 177.300 -0.087 0.000 1.287 82 P CA -0.691 62.051 63.100 -0.598 0.000 0.792 82 P CB 0.984 32.457 31.700 -0.378 0.000 1.163 83 E N 1.311 121.498 120.200 -0.022 0.000 2.480 83 E HA 0.006 4.357 4.350 0.001 0.000 0.258 83 E C -1.529 174.939 176.600 -0.221 0.000 0.984 83 E CA -1.475 54.909 56.400 -0.027 0.000 0.930 83 E CB 0.023 29.744 29.700 0.036 0.000 0.936 83 E HN 0.219 nan 8.360 nan 0.000 0.466 84 P HA -0.012 nan 4.420 nan 0.000 0.220 84 P C 0.277 176.976 177.300 -1.001 0.000 1.778 84 P CA -0.015 62.684 63.100 -0.667 0.000 0.912 84 P CB 0.109 31.407 31.700 -0.670 0.000 1.861 85 M N 1.276 120.495 119.600 -0.636 0.000 2.108 85 M HA -0.122 4.359 4.480 0.001 0.000 0.261 85 M C 1.536 177.742 176.300 -0.157 0.000 1.066 85 M CA 2.174 57.287 55.300 -0.312 0.000 1.107 85 M CB -1.456 31.103 32.600 -0.068 0.000 1.356 85 M HN -0.072 nan 8.290 nan 0.000 0.406 86 T N -0.824 113.628 114.554 -0.169 0.000 2.833 86 T HA -0.178 4.172 4.350 0.001 0.000 0.269 86 T C 1.504 176.144 174.700 -0.101 0.000 1.054 86 T CA 1.605 63.641 62.100 -0.107 0.000 1.135 86 T CB -0.591 68.214 68.868 -0.106 0.000 0.869 86 T HN 0.537 nan 8.240 nan 0.000 0.466 87 Y N 0.382 120.513 120.300 -0.281 0.000 2.200 87 Y HA -0.113 4.437 4.550 0.001 0.000 0.290 87 Y C 1.994 177.885 175.900 -0.014 0.000 1.137 87 Y CA 1.117 59.093 58.100 -0.207 0.000 1.163 87 Y CB -0.198 38.071 38.460 -0.318 0.000 0.988 87 Y HN 0.190 nan 8.280 nan 0.000 0.518 88 W N 0.582 121.899 121.300 0.027 0.000 2.388 88 W HA -0.076 4.585 4.660 0.001 0.000 0.294 88 W C 2.300 178.769 176.519 -0.083 0.000 1.212 88 W CA 1.222 58.551 57.345 -0.026 0.000 1.271 88 W CB -0.930 28.533 29.460 0.005 0.000 1.126 88 W HN 0.141 nan 8.180 nan 0.000 0.535 89 R N -1.046 119.539 120.500 0.141 0.000 2.140 89 R HA 0.053 4.394 4.340 0.001 0.000 0.213 89 R C 1.726 178.013 176.300 -0.022 0.000 1.059 89 R CA 1.108 57.241 56.100 0.055 0.000 1.000 89 R CB -0.120 30.210 30.300 0.051 0.000 0.910 89 R HN 0.048 nan 8.270 nan 0.000 0.455 90 V N -0.206 119.662 119.914 -0.077 0.000 3.278 90 V HA 0.001 4.121 4.120 0.001 0.000 0.215 90 V C 1.955 177.933 176.094 -0.193 0.000 1.287 90 V CA 0.078 62.314 62.300 -0.108 0.000 1.302 90 V CB -0.401 31.374 31.823 -0.079 0.000 1.228 90 V HN 0.046 nan 8.190 nan 0.000 0.523 91 L N 1.326 122.392 121.223 -0.261 0.000 1.971 91 L HA -0.131 4.210 4.340 0.001 0.000 0.215 91 L C 2.553 179.060 176.870 -0.605 0.000 1.072 91 L CA 2.431 57.057 54.840 -0.356 0.000 0.758 91 L CB -1.192 40.722 42.059 -0.241 0.000 0.889 91 L HN 0.546 nan 8.230 nan 0.000 0.433 92 G N -1.304 106.751 108.800 -1.240 0.000 2.430 92 G HA2 0.321 4.282 3.960 0.001 0.000 0.216 92 G HA3 0.321 4.282 3.960 0.001 0.000 0.216 92 G C 0.431 175.116 174.900 -0.358 0.000 1.146 92 G CA 0.744 45.227 45.100 -1.028 0.000 0.793 92 G HN 0.556 nan 8.290 nan 0.000 0.537 93 A N -1.435 121.222 122.820 -0.271 0.000 2.438 93 A HA 0.650 4.971 4.320 0.001 0.000 0.301 93 A C -0.845 176.686 177.584 -0.090 0.000 1.101 93 A CA 0.038 52.002 52.037 -0.122 0.000 0.621 93 A CB 0.260 19.222 19.000 -0.064 0.000 1.350 93 A HN 0.518 nan 8.150 nan 0.000 0.496 94 S N 0.977 116.647 115.700 -0.049 0.000 2.438 94 S HA 0.481 4.951 4.470 0.001 0.000 0.293 94 S C -0.411 174.184 174.600 -0.008 0.000 1.141 94 S CA -0.080 58.102 58.200 -0.030 0.000 1.080 94 S CB -0.062 63.123 63.200 -0.025 0.000 0.978 94 S HN 0.670 nan 8.310 nan 0.000 0.479 95 E N 3.320 123.524 120.200 0.007 0.000 2.216 95 E HA -0.155 4.195 4.350 0.001 0.000 0.162 95 E C 0.737 177.351 176.600 0.023 0.000 1.642 95 E CA 0.805 57.220 56.400 0.026 0.000 0.599 95 E CB -1.753 27.958 29.700 0.018 0.000 1.045 95 E HN 0.754 nan 8.360 nan 0.000 0.308 96 T N 0.780 115.350 114.554 0.027 0.000 2.812 96 T HA -0.016 4.334 4.350 0.001 0.000 0.264 96 T C 2.060 176.740 174.700 -0.033 0.000 1.042 96 T CA 1.036 63.128 62.100 -0.013 0.000 1.140 96 T CB 0.082 68.929 68.868 -0.035 0.000 0.870 96 T HN 0.364 nan 8.240 nan 0.000 0.445 97 I N 1.463 122.027 120.570 -0.010 0.000 2.179 97 I HA -0.171 3.999 4.170 0.001 0.000 0.242 97 I C 2.954 179.156 176.117 0.141 0.000 1.088 97 I CA 1.054 62.377 61.300 0.037 0.000 1.357 97 I CB -0.483 37.538 38.000 0.036 0.000 1.051 97 I HN 0.192 nan 8.210 nan 0.000 0.409 98 A N 0.934 123.803 122.820 0.083 0.000 1.908 98 A HA -0.303 4.018 4.320 0.001 0.000 0.218 98 A C 2.069 179.702 177.584 0.082 0.000 1.181 98 A CA 2.471 54.555 52.037 0.078 0.000 0.627 98 A CB -0.894 18.127 19.000 0.034 0.000 0.818 98 A HN 0.479 nan 8.150 nan 0.000 0.445 99 N N 0.146 118.874 118.700 0.046 0.000 2.120 99 N HA -0.115 4.626 4.740 0.001 0.000 0.188 99 N C 1.502 177.025 175.510 0.021 0.000 1.024 99 N CA 1.876 54.942 53.050 0.027 0.000 0.852 99 N CB -0.410 38.081 38.487 0.007 0.000 1.003 99 N HN 0.542 nan 8.380 nan 0.000 0.424 100 I N -0.620 119.950 120.570 0.001 0.000 2.127 100 I HA -0.324 3.847 4.170 0.001 0.000 0.241 100 I C 1.544 177.595 176.117 -0.111 0.000 1.075 100 I CA 1.302 62.551 61.300 -0.086 0.000 1.334 100 I CB -0.408 37.484 38.000 -0.181 0.000 1.040 100 I HN 0.187 nan 8.210 nan 0.000 0.405 101 Y N 0.552 120.849 120.300 -0.005 0.000 2.293 101 Y HA -0.184 4.367 4.550 0.001 0.000 0.291 101 Y C 2.821 178.746 175.900 0.041 0.000 1.137 101 Y CA 1.446 59.558 58.100 0.021 0.000 1.202 101 Y CB -0.851 37.616 38.460 0.011 0.000 0.990 101 Y HN 0.113 nan 8.280 nan 0.000 0.537 102 T N -1.081 113.561 114.554 0.148 0.000 2.821 102 T HA -0.148 4.203 4.350 0.001 0.000 0.267 102 T C 1.891 176.655 174.700 0.106 0.000 1.046 102 T CA 1.893 64.054 62.100 0.102 0.000 1.139 102 T CB -0.431 68.470 68.868 0.055 0.000 0.871 102 T HN 0.359 nan 8.240 nan 0.000 0.454 103 T N 1.666 116.257 114.554 0.061 0.000 2.777 103 T HA -0.131 4.220 4.350 0.001 0.000 0.266 103 T C 2.084 176.806 174.700 0.037 0.000 1.040 103 T CA 1.314 63.437 62.100 0.038 0.000 1.141 103 T CB -0.284 68.589 68.868 0.009 0.000 0.868 103 T HN 0.278 nan 8.240 nan 0.000 0.444 104 Q N 0.727 120.541 119.800 0.022 0.000 2.050 104 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 104 Q C 1.999 178.033 176.000 0.056 0.000 0.980 104 Q CA 2.024 57.834 55.803 0.011 0.000 0.840 104 Q CB -0.542 28.180 28.738 -0.026 0.000 0.898 104 Q HN 0.758 nan 8.270 nan 0.000 0.424 105 H N -0.229 118.855 119.070 0.023 0.000 2.353 105 H HA -0.066 4.490 4.556 0.001 0.000 0.298 105 H C 1.756 177.094 175.328 0.017 0.000 1.103 105 H CA 2.139 58.206 56.048 0.031 0.000 1.293 105 H CB 0.175 29.968 29.762 0.052 0.000 1.372 105 H HN 0.176 nan 8.280 nan 0.000 0.501 106 R N -0.377 120.192 120.500 0.116 0.000 2.115 106 R HA -0.084 4.256 4.340 0.001 0.000 0.230 106 R C 2.292 178.583 176.300 -0.015 0.000 1.111 106 R CA 1.122 57.252 56.100 0.050 0.000 0.976 106 R CB -0.397 29.948 30.300 0.074 0.000 0.870 106 R HN 0.341 nan 8.270 nan 0.000 0.445 107 L N 1.684 122.898 121.223 -0.015 0.000 2.056 107 L HA -0.115 4.225 4.340 0.001 0.000 0.207 107 L C 1.334 178.169 176.870 -0.057 0.000 1.078 107 L CA 1.926 56.749 54.840 -0.029 0.000 0.749 107 L CB -0.444 41.601 42.059 -0.023 0.000 0.901 107 L HN -0.023 nan 8.230 nan 0.000 0.433 108 D N -0.639 119.709 120.400 -0.086 0.000 2.144 108 D HA -0.168 4.472 4.640 0.001 0.000 0.199 108 D C 2.064 178.285 176.300 -0.132 0.000 0.984 108 D CA 1.049 54.981 54.000 -0.112 0.000 0.834 108 D CB -0.111 40.604 40.800 -0.142 0.000 0.955 108 D HN 0.457 nan 8.370 nan 0.000 0.465 109 Q N -0.529 119.168 119.800 -0.172 0.000 2.435 109 Q HA 0.108 4.448 4.340 0.001 0.000 0.207 109 Q C 1.341 177.299 176.000 -0.070 0.000 0.956 109 Q CA 0.828 56.548 55.803 -0.138 0.000 0.917 109 Q CB 0.459 29.101 28.738 -0.160 0.000 0.997 109 Q HN 0.391 nan 8.270 nan 0.000 0.497 110 G N 1.159 109.926 108.800 -0.055 0.000 2.132 110 G HA2 -0.297 3.663 3.960 0.001 0.000 0.234 110 G HA3 -0.297 3.663 3.960 0.001 0.000 0.234 110 G C 0.655 175.544 174.900 -0.019 0.000 0.989 110 G CA 0.559 45.639 45.100 -0.033 0.000 0.676 110 G HN 0.437 nan 8.290 nan 0.000 0.522 111 E N -0.545 119.647 120.200 -0.014 0.000 2.158 111 E HA 0.188 4.538 4.350 0.001 0.000 0.191 111 E C 1.588 178.190 176.600 0.004 0.000 0.982 111 E CA 1.138 57.539 56.400 0.001 0.000 0.823 111 E CB 0.178 29.887 29.700 0.015 0.000 0.766 111 E HN 0.900 nan 8.360 nan 0.000 0.468 112 I N -2.386 118.185 120.570 0.001 0.000 3.108 112 I HA 0.412 4.583 4.170 0.001 0.000 0.312 112 I C 0.038 176.154 176.117 -0.002 0.000 1.095 112 I CA -1.278 60.024 61.300 0.003 0.000 1.000 112 I CB 1.997 40.002 38.000 0.009 0.000 1.229 112 I HN -0.222 nan 8.210 nan 0.000 0.454 113 S N 2.066 117.766 115.700 0.000 0.000 2.681 113 S HA 0.626 5.097 4.470 0.001 0.000 0.270 113 S C 1.099 175.698 174.600 -0.002 0.000 1.209 113 S CA -0.136 58.063 58.200 -0.002 0.000 0.988 113 S CB 1.540 64.741 63.200 0.001 0.000 1.006 113 S HN 0.987 nan 8.310 nan 0.000 0.558 114 A N 0.969 123.787 122.820 -0.003 0.000 1.933 114 A HA 0.154 4.474 4.320 0.001 0.000 0.218 114 A C 2.133 179.722 177.584 0.008 0.000 1.175 114 A CA 1.645 53.681 52.037 -0.002 0.000 0.628 114 A CB -1.784 17.213 19.000 -0.005 0.000 0.814 114 A HN 1.116 nan 8.150 nan 0.000 0.444 115 G N -0.186 108.620 108.800 0.010 0.000 2.402 115 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 115 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 115 G C 1.128 176.037 174.900 0.015 0.000 1.162 115 G CA 1.152 46.261 45.100 0.015 0.000 0.777 115 G HN 0.457 nan 8.290 nan 0.000 0.539 116 D N 1.199 121.607 120.400 0.012 0.000 2.097 116 D HA -0.057 4.583 4.640 0.001 0.000 0.195 116 D C 2.845 179.154 176.300 0.015 0.000 0.989 116 D CA 1.319 55.327 54.000 0.013 0.000 0.827 116 D CB -0.554 40.252 40.800 0.011 0.000 0.966 116 D HN 0.295 nan 8.370 nan 0.000 0.456 117 A N 1.216 124.043 122.820 0.012 0.000 1.877 117 A HA -0.076 4.245 4.320 0.001 0.000 0.216 117 A C 2.344 179.941 177.584 0.020 0.000 1.186 117 A CA 2.430 54.474 52.037 0.011 0.000 0.620 117 A CB -0.811 18.191 19.000 0.003 0.000 0.822 117 A HN 0.242 nan 8.150 nan 0.000 0.443 118 A N -0.619 122.218 122.820 0.027 0.000 1.908 118 A HA -0.011 4.310 4.320 0.001 0.000 0.218 118 A C 2.254 179.867 177.584 0.048 0.000 1.181 118 A CA 1.842 53.906 52.037 0.044 0.000 0.627 118 A CB -0.958 18.069 19.000 0.045 0.000 0.818 118 A HN 0.380 nan 8.150 nan 0.000 0.445 119 V N -0.401 119.534 119.914 0.036 0.000 2.237 119 V HA -0.256 3.864 4.120 0.001 0.000 0.245 119 V C 2.598 178.717 176.094 0.042 0.000 1.046 119 V CA 2.096 64.418 62.300 0.036 0.000 1.007 119 V CB -0.900 30.938 31.823 0.025 0.000 0.638 119 V HN 0.379 nan 8.190 nan 0.000 0.445 120 V N -0.810 119.123 119.914 0.032 0.000 2.252 120 V HA -0.384 3.736 4.120 0.001 0.000 0.249 120 V C 2.410 178.524 176.094 0.032 0.000 1.056 120 V CA 2.701 65.017 62.300 0.027 0.000 1.022 120 V CB -0.678 31.155 31.823 0.016 0.000 0.641 120 V HN 0.484 nan 8.190 nan 0.000 0.445 121 M N -0.000 119.620 119.600 0.034 0.000 2.108 121 M HA -0.160 4.320 4.480 0.001 0.000 0.261 121 M C 2.127 178.484 176.300 0.094 0.000 1.066 121 M CA 2.194 57.517 55.300 0.038 0.000 1.107 121 M CB -0.924 31.698 32.600 0.036 0.000 1.356 121 M HN 0.436 nan 8.290 nan 0.000 0.406 122 T N -1.247 113.392 114.554 0.142 0.000 2.737 122 T HA -0.122 4.229 4.350 0.001 0.000 0.265 122 T C 1.992 176.846 174.700 0.256 0.000 1.038 122 T CA 1.746 64.006 62.100 0.266 0.000 1.144 122 T CB -0.555 68.412 68.868 0.164 0.000 0.866 122 T HN 0.453 nan 8.240 nan 0.000 0.434 123 S N 0.949 116.733 115.700 0.140 0.000 2.370 123 S HA -0.110 4.361 4.470 0.001 0.000 0.226 123 S C 2.367 177.016 174.600 0.081 0.000 1.033 123 S CA 1.367 59.632 58.200 0.108 0.000 1.011 123 S CB -0.553 62.686 63.200 0.065 0.000 0.852 123 S HN 0.521 nan 8.310 nan 0.000 0.457 124 A N 0.934 123.779 122.820 0.042 0.000 1.933 124 A HA -0.076 4.245 4.320 0.001 0.000 0.218 124 A C 2.183 179.734 177.584 -0.056 0.000 1.175 124 A CA 1.339 53.368 52.037 -0.014 0.000 0.628 124 A CB -0.623 18.349 19.000 -0.046 0.000 0.814 124 A HN 0.544 nan 8.150 nan 0.000 0.444 125 Q N -0.459 119.308 119.800 -0.054 0.000 2.224 125 Q HA -0.080 4.260 4.340 0.001 0.000 0.203 125 Q C 2.043 177.935 176.000 -0.181 0.000 0.970 125 Q CA 0.766 56.455 55.803 -0.190 0.000 0.865 125 Q CB -0.350 28.183 28.738 -0.342 0.000 0.922 125 Q HN 0.633 nan 8.270 nan 0.000 0.445 126 I N 0.472 121.038 120.570 -0.007 0.000 2.252 126 I HA -0.207 3.963 4.170 0.001 0.000 0.245 126 I C 1.958 178.116 176.117 0.068 0.000 1.102 126 I CA 1.339 62.684 61.300 0.074 0.000 1.385 126 I CB -1.176 36.929 38.000 0.175 0.000 1.064 126 I HN 0.163 nan 8.210 nan 0.000 0.414 127 T N 1.033 115.638 114.554 0.085 0.000 2.746 127 T HA -0.147 4.203 4.350 0.001 0.000 0.267 127 T C 1.989 176.818 174.700 0.215 0.000 1.039 127 T CA 1.154 63.367 62.100 0.188 0.000 1.142 127 T CB -0.078 68.865 68.868 0.126 0.000 0.866 127 T HN 0.123 nan 8.240 nan 0.000 0.444 128 M N 1.021 120.607 119.600 -0.022 0.000 2.117 128 M HA 0.023 4.503 4.480 0.001 0.000 0.262 128 M C 2.721 179.018 176.300 -0.004 0.000 1.065 128 M CA 1.481 56.674 55.300 -0.179 0.000 1.114 128 M CB -1.561 30.744 32.600 -0.490 0.000 1.361 128 M HN 0.396 nan 8.290 nan 0.000 0.408 129 G N -0.793 107.968 108.800 -0.064 0.000 2.623 129 G HA2 -0.104 3.857 3.960 0.001 0.000 0.214 129 G HA3 -0.104 3.857 3.960 0.001 0.000 0.214 129 G C 1.527 176.355 174.900 -0.121 0.000 1.138 129 G CA 0.086 45.152 45.100 -0.057 0.000 0.794 129 G HN 0.200 nan 8.290 nan 0.000 0.535 130 M N 1.751 121.288 119.600 -0.105 0.000 2.308 130 M HA -0.108 4.373 4.480 0.001 0.000 0.257 130 M C -0.354 175.784 176.300 -0.270 0.000 1.070 130 M CA 1.746 56.944 55.300 -0.169 0.000 1.080 130 M CB -1.606 30.872 32.600 -0.204 0.000 1.274 130 M HN 0.056 nan 8.290 nan 0.000 0.434 131 P HA -0.166 nan 4.420 nan 0.000 0.216 131 P C 1.201 178.544 177.300 0.070 0.000 1.150 131 P CA 1.590 64.517 63.100 -0.289 0.000 0.843 131 P CB -0.476 30.985 31.700 -0.398 0.000 0.787 132 Y N -0.220 120.145 120.300 0.108 0.000 2.184 132 Y HA 0.029 4.580 4.550 0.001 0.000 0.290 132 Y C 2.655 178.553 175.900 -0.004 0.000 1.129 132 Y CA 0.395 58.531 58.100 0.061 0.000 1.144 132 Y CB -1.920 36.557 38.460 0.030 0.000 0.995 132 Y HN -0.100 nan 8.280 nan 0.000 0.513 133 A N -0.358 122.541 122.820 0.131 0.000 1.902 133 A HA -0.124 4.196 4.320 0.001 0.000 0.217 133 A C 2.518 180.132 177.584 0.050 0.000 1.181 133 A CA 1.793 53.867 52.037 0.063 0.000 0.623 133 A CB -1.247 17.782 19.000 0.049 0.000 0.818 133 A HN 0.289 nan 8.150 nan 0.000 0.443 134 V N -0.446 119.491 119.914 0.039 0.000 2.427 134 V HA -0.172 3.948 4.120 0.001 0.000 0.248 134 V C 2.632 178.778 176.094 0.088 0.000 1.051 134 V CA 2.735 65.060 62.300 0.042 0.000 1.048 134 V CB -0.714 31.109 31.823 -0.000 0.000 0.666 134 V HN 0.632 nan 8.190 nan 0.000 0.456 135 T N -0.440 114.198 114.554 0.140 0.000 2.708 135 T HA -0.216 4.134 4.350 0.001 0.000 0.266 135 T C 1.790 176.564 174.700 0.123 0.000 1.037 135 T CA 1.797 64.000 62.100 0.173 0.000 1.146 135 T CB -0.419 68.582 68.868 0.222 0.000 0.865 135 T HN 0.650 nan 8.240 nan 0.000 0.435 136 D N 0.914 121.356 120.400 0.071 0.000 2.117 136 D HA -0.101 4.539 4.640 0.001 0.000 0.197 136 D C 2.330 178.663 176.300 0.056 0.000 0.987 136 D CA 1.252 55.268 54.000 0.027 0.000 0.829 136 D CB -0.037 40.728 40.800 -0.058 0.000 0.961 136 D HN 0.374 nan 8.370 nan 0.000 0.460 137 A N 0.720 123.573 122.820 0.056 0.000 1.933 137 A HA -0.139 4.182 4.320 0.001 0.000 0.218 137 A C 2.477 180.109 177.584 0.079 0.000 1.175 137 A CA 2.071 54.143 52.037 0.058 0.000 0.628 137 A CB -0.715 18.314 19.000 0.048 0.000 0.814 137 A HN 0.319 nan 8.150 nan 0.000 0.444 138 V N -3.567 116.407 119.914 0.099 0.000 3.235 138 V HA 0.071 4.191 4.120 0.001 0.000 0.259 138 V C 2.029 178.238 176.094 0.192 0.000 1.133 138 V CA 1.381 63.757 62.300 0.128 0.000 1.128 138 V CB -0.359 31.534 31.823 0.117 0.000 0.757 138 V HN 0.247 nan 8.190 nan 0.000 0.469 139 L N 0.997 122.323 121.223 0.171 0.000 2.249 139 L HA 0.438 4.778 4.340 0.001 0.000 0.207 139 L C 2.656 179.653 176.870 0.211 0.000 1.090 139 L CA 1.667 56.630 54.840 0.205 0.000 0.802 139 L CB -0.776 41.392 42.059 0.182 0.000 0.947 139 L HN 0.286 nan 8.230 nan 0.000 0.453 140 A N 0.843 123.749 122.820 0.145 0.000 1.881 140 A HA -0.218 4.103 4.320 0.001 0.000 0.219 140 A C 0.011 177.654 177.584 0.099 0.000 1.215 140 A CA 2.462 54.565 52.037 0.109 0.000 0.648 140 A CB -2.218 16.824 19.000 0.071 0.000 0.832 140 A HN 0.392 nan 8.150 nan 0.000 0.455 141 P HA -0.157 nan 4.420 nan 0.000 0.218 141 P C 0.989 178.254 177.300 -0.058 0.000 1.146 141 P CA 1.427 64.514 63.100 -0.022 0.000 0.813 141 P CB -0.286 31.358 31.700 -0.093 0.000 0.778 142 H N -1.642 117.463 119.070 0.059 0.000 2.529 142 H HA 0.056 4.612 4.556 0.001 0.000 0.277 142 H C 0.717 176.089 175.328 0.072 0.000 0.999 142 H CA 0.317 56.401 56.048 0.061 0.000 1.256 142 H CB 0.084 29.883 29.762 0.061 0.000 1.402 142 H HN 0.109 nan 8.280 nan 0.000 0.566 143 I N 1.856 122.534 120.570 0.180 0.000 2.396 143 I HA 0.097 4.268 4.170 0.001 0.000 0.289 143 I C 1.349 177.539 176.117 0.121 0.000 1.056 143 I CA 0.154 61.544 61.300 0.150 0.000 1.365 143 I CB 0.770 38.857 38.000 0.145 0.000 1.407 143 I HN 0.053 nan 8.210 nan 0.000 0.509 144 G N 4.682 113.561 108.800 0.132 0.000 2.695 144 G HA2 0.610 4.570 3.960 0.001 0.000 0.213 144 G HA3 0.610 4.570 3.960 0.001 0.000 0.213 144 G C 0.112 175.092 174.900 0.134 0.000 1.406 144 G CA -0.416 44.761 45.100 0.127 0.000 1.049 144 G HN 0.707 nan 8.290 nan 0.000 0.573 145 G N -1.151 107.742 108.800 0.155 0.000 2.502 145 G HA2 0.499 4.460 3.960 0.001 0.000 0.305 145 G HA3 0.499 4.460 3.960 0.001 0.000 0.305 145 G C -0.284 174.727 174.900 0.185 0.000 1.190 145 G CA -0.424 44.766 45.100 0.151 0.000 0.933 145 G HN 0.567 nan 8.290 nan 0.000 0.503 146 E N -0.587 119.695 120.200 0.137 0.000 2.436 146 E HA 0.242 4.593 4.350 0.001 0.000 0.262 146 E C 1.095 177.748 176.600 0.089 0.000 1.063 146 E CA 0.304 56.758 56.400 0.090 0.000 0.944 146 E CB 1.014 30.765 29.700 0.085 0.000 0.950 146 E HN 0.450 nan 8.360 nan 0.000 0.444 147 A N 2.449 125.233 122.820 -0.060 0.000 1.997 147 A HA 0.366 4.687 4.320 0.001 0.000 0.212 147 A C 1.026 178.618 177.584 0.014 0.000 1.178 147 A CA 1.169 53.130 52.037 -0.127 0.000 0.698 147 A CB -0.083 18.705 19.000 -0.353 0.000 0.842 147 A HN 0.813 nan 8.150 nan 0.000 0.458 148 G N -1.557 107.244 108.800 0.001 0.000 2.265 148 G HA2 0.161 4.121 3.960 0.001 0.000 0.246 148 G HA3 0.161 4.121 3.960 0.001 0.000 0.246 148 G C -0.004 174.892 174.900 -0.007 0.000 1.299 148 G CA -0.178 44.930 45.100 0.014 0.000 1.117 148 G HN 0.604 nan 8.290 nan 0.000 0.485 155 P HA 0.495 nan 4.420 nan 0.000 0.288 155 P C 0.518 177.800 177.300 -0.030 0.000 1.267 155 P CA -0.259 62.818 63.100 -0.039 0.000 0.815 155 P CB 1.239 32.911 31.700 -0.046 0.000 0.989 156 A N 2.951 125.759 122.820 -0.021 0.000 1.892 156 A HA -0.077 4.243 4.320 0.001 0.000 0.218 156 A C 0.839 178.409 177.584 -0.023 0.000 1.188 156 A CA 1.456 53.484 52.037 -0.014 0.000 0.631 156 A CB -0.735 18.265 19.000 0.000 0.000 0.822 156 A HN 0.569 nan 8.150 nan 0.000 0.447 157 L N -1.887 119.319 121.223 -0.029 0.000 2.431 157 L HA 0.579 4.919 4.340 0.001 0.000 0.266 157 L C -1.096 175.742 176.870 -0.052 0.000 0.978 157 L CA 0.011 54.826 54.840 -0.042 0.000 0.822 157 L CB 2.348 44.380 42.059 -0.044 0.000 1.310 157 L HN -0.040 nan 8.230 nan 0.000 0.409 158 T N 5.817 120.330 114.554 -0.068 0.000 2.772 158 T HA 0.475 4.825 4.350 0.001 0.000 0.288 158 T C -0.662 173.965 174.700 -0.123 0.000 0.994 158 T CA -0.126 61.926 62.100 -0.080 0.000 0.951 158 T CB 0.637 69.460 68.868 -0.074 0.000 0.933 158 T HN 0.542 nan 8.240 nan 0.000 0.447 159 L N 5.659 126.786 121.223 -0.159 0.000 2.277 159 L HA 0.565 4.906 4.340 0.001 0.000 0.284 159 L C -0.819 175.810 176.870 -0.401 0.000 1.028 159 L CA -0.739 53.901 54.840 -0.334 0.000 0.835 159 L CB 0.361 42.195 42.059 -0.376 0.000 1.215 159 L HN 0.627 nan 8.230 nan 0.000 0.425 160 I N 4.764 125.142 120.570 -0.320 0.000 2.304 160 I HA 0.260 4.431 4.170 0.001 0.000 0.291 160 I C -0.602 175.408 176.117 -0.179 0.000 1.018 160 I CA -0.258 60.954 61.300 -0.147 0.000 1.260 160 I CB 0.707 38.706 38.000 -0.002 0.000 1.390 160 I HN 0.367 nan 8.210 nan 0.000 0.475 161 F N 3.645 123.514 119.950 -0.134 0.000 2.432 161 F HA 0.279 4.806 4.527 0.001 0.000 0.329 161 F C 0.747 176.570 175.800 0.038 0.000 1.076 161 F CA -0.808 57.104 58.000 -0.147 0.000 1.018 161 F CB 0.876 39.713 39.000 -0.271 0.000 1.201 161 F HN 0.380 nan 8.300 nan 0.000 0.489 162 D N 3.737 124.258 120.400 0.201 0.000 2.479 162 D HA 0.308 4.949 4.640 0.001 0.000 0.218 162 D C -0.205 176.208 176.300 0.189 0.000 1.131 162 D CA 0.143 54.283 54.000 0.232 0.000 0.916 162 D CB 0.039 40.945 40.800 0.177 0.000 1.022 162 D HN 0.594 nan 8.370 nan 0.000 0.515 163 R N 1.110 121.718 120.500 0.179 0.000 3.415 163 R HA -0.172 4.169 4.340 0.001 0.000 0.423 163 R C -0.543 175.722 176.300 -0.059 0.000 0.781 163 R CA -0.036 56.081 56.100 0.028 0.000 1.292 163 R CB -0.569 29.630 30.300 -0.169 0.000 2.124 163 R HN 0.620 nan 8.270 nan 0.000 0.482 164 H N 2.286 121.227 119.070 -0.214 0.000 2.573 164 H HA 0.273 4.829 4.556 0.001 0.000 0.351 164 H C -1.912 173.196 175.328 -0.367 0.000 1.163 164 H CA -2.207 53.635 56.048 -0.343 0.000 1.205 164 H CB 2.119 31.634 29.762 -0.411 0.000 1.605 164 H HN 0.206 nan 8.280 nan 0.000 0.525 165 P HA -0.180 nan 4.420 nan 0.000 0.217 165 P C 1.664 179.006 177.300 0.070 0.000 1.148 165 P CA 1.899 64.909 63.100 -0.151 0.000 0.834 165 P CB -0.152 31.396 31.700 -0.253 0.000 0.783 166 I N -4.244 116.477 120.570 0.252 0.000 2.700 166 I HA -0.130 4.040 4.170 0.001 0.000 0.261 166 I C 1.950 178.143 176.117 0.127 0.000 1.219 166 I CA 1.357 62.750 61.300 0.156 0.000 1.463 166 I CB -1.002 37.051 38.000 0.088 0.000 1.092 166 I HN -0.175 nan 8.210 nan 0.000 0.452 167 A N 1.753 124.679 122.820 0.177 0.000 1.877 167 A HA 0.032 4.353 4.320 0.001 0.000 0.216 167 A C 2.537 180.305 177.584 0.307 0.000 1.186 167 A CA 1.927 54.151 52.037 0.311 0.000 0.620 167 A CB -0.831 18.365 19.000 0.327 0.000 0.822 167 A HN 0.581 nan 8.150 nan 0.000 0.443 168 A N -1.241 121.710 122.820 0.219 0.000 2.030 168 A HA 0.340 4.660 4.320 0.001 0.000 0.215 168 A C 1.927 179.448 177.584 -0.104 0.000 1.164 168 A CA 0.893 52.985 52.037 0.091 0.000 0.697 168 A CB -0.253 18.847 19.000 0.167 0.000 0.827 168 A HN 0.415 nan 8.150 nan 0.000 0.457 169 L N -1.531 119.673 121.223 -0.032 0.000 2.513 169 L HA 0.204 4.544 4.340 0.001 0.000 0.222 169 L C 1.867 178.769 176.870 0.054 0.000 1.096 169 L CA 0.227 55.032 54.840 -0.059 0.000 0.857 169 L CB 0.409 42.503 42.059 0.058 0.000 1.026 169 L HN 0.453 nan 8.230 nan 0.000 0.469 170 L N -2.371 118.881 121.223 0.048 0.000 2.769 170 L HA 0.125 4.466 4.340 0.001 0.000 0.175 170 L C 2.108 178.975 176.870 -0.005 0.000 1.099 170 L CA 1.048 55.913 54.840 0.043 0.000 0.876 170 L CB -0.317 41.740 42.059 -0.002 0.000 1.498 170 L HN -0.002 nan 8.230 nan 0.000 0.499 171 C N -0.081 119.169 119.300 -0.083 0.000 2.436 171 C HA -0.133 4.327 4.460 0.001 0.000 0.277 171 C C 2.524 177.410 174.990 -0.173 0.000 1.241 171 C CA 1.049 59.913 59.018 -0.257 0.000 1.721 171 C CB -1.242 26.136 27.740 -0.604 0.000 2.043 171 C HN 0.618 nan 8.230 nan 0.000 0.472 172 Y N 1.399 121.694 120.300 -0.007 0.000 2.145 172 Y HA -0.070 4.480 4.550 0.001 0.000 0.286 172 Y C 0.102 176.002 175.900 -0.000 0.000 1.145 172 Y CA 1.919 60.026 58.100 0.013 0.000 1.148 172 Y CB -2.019 36.442 38.460 0.001 0.000 0.981 172 Y HN 0.280 nan 8.280 nan 0.000 0.507 173 P HA -0.222 nan 4.420 nan 0.000 0.215 173 P C 1.400 178.782 177.300 0.138 0.000 1.153 173 P CA 2.412 65.597 63.100 0.143 0.000 0.853 173 P CB -0.156 31.665 31.700 0.200 0.000 0.788 174 A N -0.076 122.795 122.820 0.085 0.000 1.902 174 A HA -0.141 4.179 4.320 0.001 0.000 0.217 174 A C 2.327 179.935 177.584 0.041 0.000 1.181 174 A CA 2.196 54.268 52.037 0.059 0.000 0.623 174 A CB -1.637 17.346 19.000 -0.029 0.000 0.818 174 A HN 0.196 nan 8.150 nan 0.000 0.443 175 A N -0.580 122.215 122.820 -0.041 0.000 1.902 175 A HA -0.142 4.179 4.320 0.001 0.000 0.217 175 A C 2.178 179.742 177.584 -0.033 0.000 1.181 175 A CA 1.416 53.410 52.037 -0.071 0.000 0.623 175 A CB -0.424 18.485 19.000 -0.151 0.000 0.818 175 A HN 0.379 nan 8.150 nan 0.000 0.443 176 R N -1.552 118.957 120.500 0.014 0.000 2.148 176 R HA -0.126 4.215 4.340 0.001 0.000 0.227 176 R C 1.948 178.263 176.300 0.025 0.000 1.103 176 R CA 1.513 57.622 56.100 0.016 0.000 0.983 176 R CB -1.020 29.305 30.300 0.041 0.000 0.874 176 R HN 0.794 nan 8.270 nan 0.000 0.451 177 Y N 1.253 121.535 120.300 -0.031 0.000 2.242 177 Y HA -0.088 4.462 4.550 0.001 0.000 0.291 177 Y C 1.908 177.765 175.900 -0.071 0.000 1.137 177 Y CA 1.261 59.334 58.100 -0.044 0.000 1.181 177 Y CB -0.388 38.037 38.460 -0.057 0.000 0.989 177 Y HN -0.089 nan 8.280 nan 0.000 0.527 178 L N -0.084 120.944 121.223 -0.325 0.000 2.376 178 L HA -0.136 4.204 4.340 0.001 0.000 0.219 178 L C 1.583 178.291 176.870 -0.270 0.000 1.133 178 L CA 0.534 55.149 54.840 -0.375 0.000 0.816 178 L CB -0.321 41.625 42.059 -0.188 0.000 0.933 178 L HN 0.319 nan 8.230 nan 0.000 0.449 179 M N -0.783 118.702 119.600 -0.191 0.000 2.431 179 M HA 0.234 4.715 4.480 0.001 0.000 0.237 179 M C 1.441 177.661 176.300 -0.133 0.000 1.130 179 M CA 0.493 55.714 55.300 -0.133 0.000 1.002 179 M CB -0.311 32.238 32.600 -0.084 0.000 1.524 179 M HN 0.313 nan 8.290 nan 0.000 0.482 180 G N 1.335 110.022 108.800 -0.189 0.000 2.153 180 G HA2 -0.262 3.698 3.960 0.001 0.000 0.252 180 G HA3 -0.262 3.698 3.960 0.001 0.000 0.252 180 G C 0.622 175.483 174.900 -0.066 0.000 0.994 180 G CA 0.751 45.764 45.100 -0.144 0.000 0.698 180 G HN 0.585 nan 8.290 nan 0.000 0.521 181 S N -1.550 114.125 115.700 -0.042 0.000 2.601 181 S HA 0.713 5.184 4.470 0.001 0.000 0.244 181 S C 0.196 174.818 174.600 0.038 0.000 1.001 181 S CA 0.473 58.670 58.200 -0.006 0.000 0.984 181 S CB 0.441 63.629 63.200 -0.021 0.000 0.842 181 S HN 0.884 nan 8.310 nan 0.000 0.474 182 M N 2.477 122.124 119.600 0.078 0.000 2.325 182 M HA 0.297 4.778 4.480 0.001 0.000 0.285 182 M C -0.983 175.435 176.300 0.196 0.000 1.119 182 M CA -0.174 55.206 55.300 0.133 0.000 0.959 182 M CB 2.131 34.831 32.600 0.165 0.000 1.737 182 M HN 0.313 nan 8.290 nan 0.000 0.486 183 T N 1.507 116.141 114.554 0.133 0.000 2.918 183 T HA 0.403 4.753 4.350 0.001 0.000 0.302 183 T C -1.969 172.766 174.700 0.057 0.000 1.045 183 T CA -1.145 61.025 62.100 0.116 0.000 1.114 183 T CB 0.560 69.456 68.868 0.047 0.000 0.965 183 T HN 0.559 nan 8.240 nan 0.000 0.540 184 P HA -0.081 nan 4.420 nan 0.000 0.221 184 P C 1.150 178.348 177.300 -0.171 0.000 1.150 184 P CA 0.978 63.909 63.100 -0.281 0.000 0.800 184 P CB 0.156 31.557 31.700 -0.498 0.000 0.787 185 Q N 0.284 119.986 119.800 -0.164 0.000 2.119 185 Q HA -0.035 4.306 4.340 0.001 0.000 0.201 185 Q C 2.462 178.438 176.000 -0.039 0.000 0.972 185 Q CA 1.952 57.697 55.803 -0.098 0.000 0.847 185 Q CB -1.212 27.536 28.738 0.016 0.000 0.903 185 Q HN 0.219 nan 8.270 nan 0.000 0.433 186 A N 0.033 122.816 122.820 -0.062 0.000 1.898 186 A HA -0.129 4.192 4.320 0.001 0.000 0.216 186 A C 2.300 179.800 177.584 -0.141 0.000 1.181 186 A CA 1.371 53.313 52.037 -0.158 0.000 0.620 186 A CB -0.793 18.145 19.000 -0.103 0.000 0.819 186 A HN 0.216 nan 8.150 nan 0.000 0.442 187 V N 0.298 120.240 119.914 0.048 0.000 2.287 187 V HA -0.278 3.842 4.120 0.001 0.000 0.248 187 V C 2.509 178.656 176.094 0.089 0.000 1.053 187 V CA 2.049 64.459 62.300 0.184 0.000 1.027 187 V CB -0.804 31.151 31.823 0.221 0.000 0.646 187 V HN 0.573 nan 8.190 nan 0.000 0.447 188 L N -0.152 121.052 121.223 -0.032 0.000 2.275 188 L HA -0.069 4.271 4.340 0.001 0.000 0.215 188 L C 2.611 179.460 176.870 -0.036 0.000 1.119 188 L CA 1.073 55.844 54.840 -0.115 0.000 0.790 188 L CB -0.688 41.275 42.059 -0.160 0.000 0.919 188 L HN 0.367 nan 8.230 nan 0.000 0.443 189 A N -0.114 122.668 122.820 -0.064 0.000 1.929 189 A HA -0.143 4.177 4.320 0.001 0.000 0.216 189 A C 1.928 179.461 177.584 -0.086 0.000 1.176 189 A CA 1.141 53.111 52.037 -0.112 0.000 0.628 189 A CB -0.517 18.355 19.000 -0.214 0.000 0.816 189 A HN 0.266 nan 8.150 nan 0.000 0.444 190 F N -0.211 119.754 119.950 0.024 0.000 2.186 190 F HA -0.087 4.441 4.527 0.001 0.000 0.299 190 F C 2.439 178.248 175.800 0.014 0.000 1.090 190 F CA 0.972 58.989 58.000 0.029 0.000 1.307 190 F CB -0.833 38.193 39.000 0.044 0.000 1.019 190 F HN 0.013 nan 8.300 nan 0.000 0.489 191 V N 0.112 120.122 119.914 0.160 0.000 2.332 191 V HA -0.322 3.799 4.120 0.001 0.000 0.248 191 V C 2.610 178.729 176.094 0.041 0.000 1.055 191 V CA 1.832 64.165 62.300 0.056 0.000 1.038 191 V CB -1.365 30.423 31.823 -0.059 0.000 0.651 191 V HN 0.354 nan 8.190 nan 0.000 0.450 192 A N -0.669 122.170 122.820 0.031 0.000 2.076 192 A HA -0.111 4.209 4.320 0.001 0.000 0.220 192 A C 2.029 179.640 177.584 0.045 0.000 1.160 192 A CA 1.504 53.559 52.037 0.031 0.000 0.653 192 A CB -0.453 18.561 19.000 0.023 0.000 0.801 192 A HN 0.560 nan 8.150 nan 0.000 0.455 193 L N -0.294 120.973 121.223 0.074 0.000 2.592 193 L HA 0.242 4.582 4.340 0.001 0.000 0.227 193 L C 0.001 176.919 176.870 0.081 0.000 1.127 193 L CA -0.380 54.510 54.840 0.084 0.000 0.884 193 L CB -0.139 41.998 42.059 0.130 0.000 1.065 193 L HN 0.260 nan 8.230 nan 0.000 0.457 194 I N 2.073 122.687 120.570 0.073 0.000 2.598 194 I HA 0.031 4.202 4.170 0.001 0.000 0.284 194 I C -1.779 174.364 176.117 0.043 0.000 1.140 194 I CA -1.643 59.694 61.300 0.061 0.000 1.420 194 I CB 0.266 38.300 38.000 0.056 0.000 1.387 194 I HN -0.150 nan 8.210 nan 0.000 0.553 195 P HA 0.110 nan 4.420 nan 0.000 0.269 195 P C -2.447 174.869 177.300 0.026 0.000 1.215 195 P CA -1.048 62.065 63.100 0.021 0.000 0.780 195 P CB -0.319 31.380 31.700 -0.003 0.000 0.898 196 P HA 0.002 nan 4.420 nan 0.000 0.264 196 P C -0.339 176.979 177.300 0.030 0.000 1.183 196 P CA 0.547 63.662 63.100 0.026 0.000 0.763 196 P CB -0.130 31.585 31.700 0.025 0.000 0.807 197 T N 4.648 119.218 114.554 0.026 0.000 2.738 197 T HA 0.200 4.550 4.350 0.001 0.000 0.293 197 T C 0.606 175.327 174.700 0.036 0.000 0.913 197 T CA -0.122 61.991 62.100 0.022 0.000 1.103 197 T CB -0.422 68.439 68.868 -0.012 0.000 0.880 197 T HN 0.162 nan 8.240 nan 0.000 0.526 198 L N 5.210 126.467 121.223 0.057 0.000 2.456 198 L HA 0.360 4.700 4.340 0.001 0.000 0.257 198 L C -1.841 175.088 176.870 0.098 0.000 1.162 198 L CA -2.442 52.445 54.840 0.079 0.000 0.808 198 L CB 0.014 42.132 42.059 0.098 0.000 1.136 198 L HN 0.312 nan 8.230 nan 0.000 0.466 199 P HA 0.058 nan 4.420 nan 0.000 0.269 199 P C 0.381 177.787 177.300 0.177 0.000 1.215 199 P CA 0.291 63.475 63.100 0.140 0.000 0.780 199 P CB 0.504 32.280 31.700 0.126 0.000 0.898 200 G N 1.092 110.034 108.800 0.236 0.000 2.246 200 G HA2 -0.215 3.746 3.960 0.001 0.000 0.273 200 G HA3 -0.215 3.746 3.960 0.001 0.000 0.273 200 G C 0.045 175.131 174.900 0.309 0.000 1.055 200 G CA 0.001 45.254 45.100 0.256 0.000 0.851 200 G HN 0.571 nan 8.290 nan 0.000 0.500 201 T N 1.842 116.580 114.554 0.305 0.000 3.162 201 T HA 0.303 4.653 4.350 0.001 0.000 0.316 201 T C 0.368 175.256 174.700 0.313 0.000 1.182 201 T CA -0.395 61.864 62.100 0.265 0.000 1.015 201 T CB 0.047 68.955 68.868 0.067 0.000 1.089 201 T HN 0.401 nan 8.240 nan 0.000 0.646 202 N N 3.579 122.541 118.700 0.437 0.000 2.419 202 N HA 0.369 5.110 4.740 0.001 0.000 0.264 202 N C -0.749 175.036 175.510 0.459 0.000 1.031 202 N CA -0.338 53.007 53.050 0.490 0.000 0.951 202 N CB 1.938 40.659 38.487 0.391 0.000 1.101 202 N HN 0.539 nan 8.380 nan 0.000 0.488 203 I N 2.074 122.872 120.570 0.381 0.000 2.406 203 I HA 0.280 4.450 4.170 0.001 0.000 0.290 203 I C -0.945 175.365 176.117 0.322 0.000 0.999 203 I CA -0.855 60.621 61.300 0.294 0.000 1.124 203 I CB 1.339 39.389 38.000 0.084 0.000 1.289 203 I HN 0.041 nan 8.210 nan 0.000 0.441 204 V N 8.185 128.275 119.914 0.292 0.000 2.383 204 V HA 0.391 4.511 4.120 0.001 0.000 0.275 204 V C 0.125 176.345 176.094 0.209 0.000 1.036 204 V CA -0.418 62.036 62.300 0.257 0.000 0.889 204 V CB 1.206 33.147 31.823 0.196 0.000 0.985 204 V HN 0.550 nan 8.190 nan 0.000 0.459 205 L N 3.962 125.296 121.223 0.185 0.000 2.334 205 L HA 0.782 5.123 4.340 0.001 0.000 0.273 205 L C 0.755 177.724 176.870 0.166 0.000 1.013 205 L CA -0.489 54.440 54.840 0.148 0.000 0.816 205 L CB 1.855 44.005 42.059 0.151 0.000 1.278 205 L HN 0.722 nan 8.230 nan 0.000 0.431 206 G N 0.729 109.636 108.800 0.178 0.000 2.412 206 G HA2 0.663 4.624 3.960 0.001 0.000 0.318 206 G HA3 0.663 4.624 3.960 0.001 0.000 0.318 206 G C -1.034 173.966 174.900 0.167 0.000 1.146 206 G CA -0.388 44.898 45.100 0.310 0.000 0.882 206 G HN 0.714 nan 8.290 nan 0.000 0.501 207 A N 0.516 123.442 122.820 0.177 0.000 2.331 207 A HA 0.805 5.125 4.320 0.001 0.000 0.320 207 A C -1.120 176.519 177.584 0.091 0.000 1.138 207 A CA -0.558 51.537 52.037 0.097 0.000 0.790 207 A CB 1.570 20.609 19.000 0.065 0.000 1.206 207 A HN 1.366 nan 8.150 nan 0.000 0.470 208 L N 3.380 124.631 121.223 0.047 0.000 2.705 208 L HA 0.514 4.855 4.340 0.001 0.000 0.260 208 L C -2.833 174.063 176.870 0.043 0.000 0.921 208 L CA -0.827 54.027 54.840 0.023 0.000 0.948 208 L CB 1.875 43.891 42.059 -0.072 0.000 1.427 208 L HN 0.487 nan 8.230 nan 0.000 0.432 209 P HA 0.124 nan 4.420 nan 0.000 0.266 209 P C 0.420 177.767 177.300 0.079 0.000 1.195 209 P CA 0.068 63.200 63.100 0.053 0.000 0.768 209 P CB 0.697 32.420 31.700 0.039 0.000 0.838 210 E N 1.656 121.902 120.200 0.076 0.000 2.070 210 E HA -0.293 4.057 4.350 0.001 0.000 0.197 210 E C 0.861 177.503 176.600 0.069 0.000 1.004 210 E CA 1.682 58.130 56.400 0.080 0.000 0.805 210 E CB -0.056 29.664 29.700 0.033 0.000 0.744 210 E HN 0.414 nan 8.360 nan 0.000 0.451 211 D N -0.044 120.384 120.400 0.046 0.000 2.104 211 D HA -0.170 4.471 4.640 0.001 0.000 0.194 211 D C 2.048 178.379 176.300 0.050 0.000 0.994 211 D CA 0.812 54.834 54.000 0.036 0.000 0.830 211 D CB -0.242 40.573 40.800 0.025 0.000 0.959 211 D HN 0.101 nan 8.370 nan 0.000 0.452 212 R N -0.169 120.365 120.500 0.057 0.000 2.081 212 R HA -0.120 4.221 4.340 0.001 0.000 0.235 212 R C 2.205 178.557 176.300 0.086 0.000 1.131 212 R CA 0.991 57.124 56.100 0.055 0.000 0.960 212 R CB -0.815 29.509 30.300 0.041 0.000 0.856 212 R HN 0.523 nan 8.270 nan 0.000 0.436 213 H N 0.121 119.182 119.070 -0.015 0.000 2.321 213 H HA -0.041 4.516 4.556 0.001 0.000 0.300 213 H C 2.211 177.515 175.328 -0.040 0.000 1.087 213 H CA 1.559 57.584 56.048 -0.038 0.000 1.319 213 H CB 0.044 29.776 29.762 -0.049 0.000 1.379 213 H HN 0.076 nan 8.280 nan 0.000 0.501 214 I N 0.505 121.136 120.570 0.102 0.000 2.208 214 I HA -0.299 3.872 4.170 0.001 0.000 0.245 214 I C 2.354 178.492 176.117 0.036 0.000 1.097 214 I CA 1.360 62.669 61.300 0.015 0.000 1.363 214 I CB -0.313 37.685 38.000 -0.003 0.000 1.051 214 I HN 0.463 nan 8.210 nan 0.000 0.413 215 D N 0.659 121.086 120.400 0.045 0.000 2.092 215 D HA -0.225 4.415 4.640 0.001 0.000 0.193 215 D C 2.311 178.634 176.300 0.038 0.000 0.994 215 D CA 1.465 55.486 54.000 0.035 0.000 0.828 215 D CB 0.023 40.842 40.800 0.033 0.000 0.963 215 D HN 0.207 nan 8.370 nan 0.000 0.450 216 R N 0.016 120.546 120.500 0.051 0.000 2.081 216 R HA -0.148 4.193 4.340 0.001 0.000 0.235 216 R C 2.481 178.814 176.300 0.055 0.000 1.131 216 R CA 0.795 56.921 56.100 0.042 0.000 0.960 216 R CB -0.332 29.979 30.300 0.017 0.000 0.856 216 R HN 0.116 nan 8.270 nan 0.000 0.436 217 L N 0.425 121.701 121.223 0.089 0.000 2.046 217 L HA -0.041 4.300 4.340 0.001 0.000 0.208 217 L C 2.159 179.052 176.870 0.039 0.000 1.077 217 L CA 2.084 56.965 54.840 0.069 0.000 0.747 217 L CB -0.666 41.410 42.059 0.028 0.000 0.896 217 L HN 0.221 nan 8.230 nan 0.000 0.432 218 A N 0.402 123.238 122.820 0.026 0.000 1.908 218 A HA -0.253 4.068 4.320 0.001 0.000 0.218 218 A C 2.145 179.738 177.584 0.016 0.000 1.181 218 A CA 2.066 54.112 52.037 0.015 0.000 0.627 218 A CB -0.675 18.331 19.000 0.011 0.000 0.818 218 A HN 0.673 nan 8.150 nan 0.000 0.445 219 K N -0.301 120.112 120.400 0.021 0.000 2.444 219 K HA 0.030 4.350 4.320 0.001 0.000 0.193 219 K C 0.625 177.239 176.600 0.025 0.000 1.024 219 K CA 0.488 56.787 56.287 0.020 0.000 1.077 219 K CB -0.007 32.505 32.500 0.019 0.000 0.833 219 K HN 0.562 nan 8.250 nan 0.000 0.517 220 R N 0.690 121.210 120.500 0.033 0.000 2.701 220 R HA 0.209 4.550 4.340 0.001 0.000 0.281 220 R C -0.953 175.379 176.300 0.053 0.000 1.367 220 R CA -0.641 55.485 56.100 0.044 0.000 1.510 220 R CB 0.365 30.695 30.300 0.051 0.000 1.306 220 R HN -0.067 nan 8.270 nan 0.000 0.682 221 Q N 1.846 121.663 119.800 0.028 0.000 2.327 221 Q HA 0.245 4.586 4.340 0.001 0.000 0.254 221 Q C -0.231 175.770 176.000 0.002 0.000 0.952 221 Q CA 0.065 55.871 55.803 0.004 0.000 0.884 221 Q CB 1.676 30.395 28.738 -0.033 0.000 1.224 221 Q HN 0.368 nan 8.270 nan 0.000 0.422 222 R N 1.953 122.443 120.500 -0.017 0.000 2.549 222 R HA 0.370 4.710 4.340 0.001 0.000 0.267 222 R C -2.147 174.137 176.300 -0.027 0.000 1.045 222 R CA -1.902 54.200 56.100 0.003 0.000 1.115 222 R CB -0.069 30.252 30.300 0.035 0.000 1.121 222 R HN 0.314 nan 8.270 nan 0.000 0.543 223 P HA -0.039 nan 4.420 nan 0.000 0.258 223 P C 0.399 177.693 177.300 -0.010 0.000 1.187 223 P CA 1.140 64.242 63.100 0.003 0.000 0.767 223 P CB 0.283 32.001 31.700 0.030 0.000 0.770 224 G N 2.103 110.882 108.800 -0.035 0.000 2.195 224 G HA2 -0.267 3.693 3.960 0.001 0.000 0.246 224 G HA3 -0.267 3.693 3.960 0.001 0.000 0.246 224 G C 0.243 175.080 174.900 -0.105 0.000 0.984 224 G CA -0.051 45.029 45.100 -0.034 0.000 0.633 224 G HN 0.607 nan 8.290 nan 0.000 0.525 225 E N 0.565 120.624 120.200 -0.235 0.000 2.383 225 E HA 0.537 4.888 4.350 0.001 0.000 0.264 225 E C 0.311 176.634 176.600 -0.461 0.000 1.050 225 E CA -0.466 55.557 56.400 -0.628 0.000 0.896 225 E CB 0.347 29.694 29.700 -0.588 0.000 0.982 225 E HN 0.426 nan 8.360 nan 0.000 0.424 226 R N 2.996 123.142 120.500 -0.589 0.000 2.480 226 R HA 0.265 4.606 4.340 0.001 0.000 0.306 226 R C -0.945 175.298 176.300 -0.094 0.000 0.958 226 R CA -1.042 54.954 56.100 -0.173 0.000 0.861 226 R CB 1.156 31.475 30.300 0.032 0.000 1.171 226 R HN 0.420 nan 8.270 nan 0.000 0.445 227 L N 3.519 124.720 121.223 -0.037 0.000 2.623 227 L HA 0.065 4.405 4.340 0.001 0.000 0.281 227 L C -0.573 176.334 176.870 0.062 0.000 1.150 227 L CA 0.667 55.513 54.840 0.009 0.000 0.965 227 L CB -0.259 41.799 42.059 -0.001 0.000 1.303 227 L HN 0.475 nan 8.230 nan 0.000 0.467 228 D N 4.146 124.616 120.400 0.116 0.000 2.414 228 D HA 0.155 4.796 4.640 0.001 0.000 0.232 228 D C 0.954 177.293 176.300 0.065 0.000 1.070 228 D CA -0.334 53.739 54.000 0.123 0.000 0.839 228 D CB 1.041 41.967 40.800 0.211 0.000 1.079 228 D HN 0.521 nan 8.370 nan 0.000 0.521 229 L N 2.794 124.032 121.223 0.026 0.000 2.217 229 L HA -0.026 4.315 4.340 0.001 0.000 0.211 229 L C 2.337 179.196 176.870 -0.017 0.000 1.107 229 L CA 0.819 55.652 54.840 -0.012 0.000 0.783 229 L CB -0.283 41.767 42.059 -0.015 0.000 0.919 229 L HN 0.409 nan 8.230 nan 0.000 0.442 230 A N -0.050 122.768 122.820 -0.003 0.000 1.930 230 A HA -0.226 4.095 4.320 0.001 0.000 0.217 230 A C 2.240 179.814 177.584 -0.017 0.000 1.175 230 A CA 1.634 53.660 52.037 -0.018 0.000 0.627 230 A CB -0.351 18.637 19.000 -0.019 0.000 0.815 230 A HN 0.338 nan 8.150 nan 0.000 0.443 231 M N -0.723 118.887 119.600 0.016 0.000 2.175 231 M HA -0.003 4.477 4.480 0.001 0.000 0.264 231 M C 1.797 178.101 176.300 0.007 0.000 1.063 231 M CA 1.395 56.714 55.300 0.031 0.000 1.119 231 M CB -0.596 32.070 32.600 0.110 0.000 1.377 231 M HN 0.306 nan 8.290 nan 0.000 0.415 232 L N 0.503 121.710 121.223 -0.027 0.000 2.042 232 L HA -0.067 4.274 4.340 0.001 0.000 0.210 232 L C 2.303 179.102 176.870 -0.119 0.000 1.076 232 L CA 2.352 57.109 54.840 -0.138 0.000 0.749 232 L CB -1.341 40.582 42.059 -0.228 0.000 0.893 232 L HN 0.357 nan 8.230 nan 0.000 0.432 233 A N -0.665 122.108 122.820 -0.078 0.000 1.873 233 A HA -0.066 4.254 4.320 0.001 0.000 0.215 233 A C 2.453 180.008 177.584 -0.048 0.000 1.186 233 A CA 1.831 53.834 52.037 -0.057 0.000 0.616 233 A CB -1.196 17.775 19.000 -0.048 0.000 0.823 233 A HN 0.576 nan 8.150 nan 0.000 0.442 234 A N -0.349 122.439 122.820 -0.054 0.000 1.877 234 A HA -0.109 4.211 4.320 0.001 0.000 0.216 234 A C 2.115 179.661 177.584 -0.063 0.000 1.186 234 A CA 1.796 53.794 52.037 -0.063 0.000 0.620 234 A CB -0.618 18.338 19.000 -0.072 0.000 0.822 234 A HN 0.574 nan 8.150 nan 0.000 0.443 235 I N -0.322 120.212 120.570 -0.060 0.000 2.286 235 I HA -0.183 3.988 4.170 0.001 0.000 0.248 235 I C 2.436 178.595 176.117 0.070 0.000 1.115 235 I CA 1.397 62.665 61.300 -0.053 0.000 1.392 235 I CB -0.307 37.642 38.000 -0.085 0.000 1.065 235 I HN 0.251 nan 8.210 nan 0.000 0.418 236 R N -0.388 120.135 120.500 0.038 0.000 2.092 236 R HA -0.138 4.203 4.340 0.001 0.000 0.231 236 R C 2.496 178.840 176.300 0.073 0.000 1.119 236 R CA 1.365 57.515 56.100 0.083 0.000 0.970 236 R CB -0.432 29.897 30.300 0.048 0.000 0.864 236 R HN 0.335 nan 8.270 nan 0.000 0.440 237 R N 0.712 121.223 120.500 0.018 0.000 2.066 237 R HA -0.105 4.235 4.340 0.001 0.000 0.232 237 R C 2.041 178.329 176.300 -0.020 0.000 1.131 237 R CA 1.373 57.470 56.100 -0.005 0.000 0.955 237 R CB -0.159 30.121 30.300 -0.034 0.000 0.851 237 R HN 0.054 nan 8.270 nan 0.000 0.432 238 V N 0.380 120.262 119.914 -0.053 0.000 2.287 238 V HA -0.273 3.847 4.120 0.001 0.000 0.248 238 V C 1.974 177.981 176.094 -0.145 0.000 1.053 238 V CA 1.841 64.059 62.300 -0.136 0.000 1.027 238 V CB -0.684 31.003 31.823 -0.227 0.000 0.646 238 V HN 0.351 nan 8.190 nan 0.000 0.447 239 Y N 1.192 121.463 120.300 -0.049 0.000 2.224 239 Y HA -0.090 4.461 4.550 0.001 0.000 0.289 239 Y C 2.499 178.395 175.900 -0.007 0.000 1.146 239 Y CA 1.521 59.611 58.100 -0.018 0.000 1.182 239 Y CB -0.976 37.488 38.460 0.006 0.000 0.983 239 Y HN 0.275 nan 8.280 nan 0.000 0.524 240 G N -0.205 108.670 108.800 0.125 0.000 2.404 240 G HA2 -0.207 3.754 3.960 0.001 0.000 0.215 240 G HA3 -0.207 3.754 3.960 0.001 0.000 0.215 240 G C 1.632 176.551 174.900 0.032 0.000 1.174 240 G CA 0.976 46.121 45.100 0.075 0.000 0.780 240 G HN 0.347 nan 8.290 nan 0.000 0.537 241 L N -0.195 121.023 121.223 -0.007 0.000 2.083 241 L HA -0.030 4.311 4.340 0.001 0.000 0.209 241 L C 2.684 179.521 176.870 -0.055 0.000 1.083 241 L CA 0.481 55.296 54.840 -0.041 0.000 0.752 241 L CB -0.488 41.523 42.059 -0.080 0.000 0.899 241 L HN 0.233 nan 8.230 nan 0.000 0.433 242 L N 0.507 121.689 121.223 -0.069 0.000 2.012 242 L HA -0.192 4.148 4.340 0.001 0.000 0.210 242 L C 2.666 179.526 176.870 -0.016 0.000 1.073 242 L CA 2.132 56.925 54.840 -0.078 0.000 0.748 242 L CB -0.731 41.258 42.059 -0.117 0.000 0.891 242 L HN 0.147 nan 8.230 nan 0.000 0.431 243 A N -0.444 122.394 122.820 0.029 0.000 1.902 243 A HA -0.221 4.100 4.320 0.001 0.000 0.217 243 A C 2.065 179.673 177.584 0.039 0.000 1.181 243 A CA 1.904 53.965 52.037 0.039 0.000 0.623 243 A CB -0.831 18.205 19.000 0.060 0.000 0.818 243 A HN 0.638 nan 8.150 nan 0.000 0.443 244 N N -0.221 118.504 118.700 0.042 0.000 2.188 244 N HA -0.090 4.651 4.740 0.001 0.000 0.184 244 N C 1.700 177.272 175.510 0.105 0.000 1.018 244 N CA 1.842 54.932 53.050 0.067 0.000 0.858 244 N CB -0.800 37.718 38.487 0.052 0.000 0.989 244 N HN 0.520 nan 8.380 nan 0.000 0.426 245 T N 0.923 115.511 114.554 0.057 0.000 2.737 245 T HA -0.037 4.313 4.350 0.001 0.000 0.265 245 T C 2.215 177.018 174.700 0.172 0.000 1.038 245 T CA 0.831 62.988 62.100 0.095 0.000 1.144 245 T CB -0.428 68.395 68.868 -0.075 0.000 0.866 245 T HN -0.052 nan 8.240 nan 0.000 0.434 246 V N 2.018 121.979 119.914 0.078 0.000 2.252 246 V HA -0.262 3.859 4.120 0.001 0.000 0.249 246 V C 2.659 178.805 176.094 0.087 0.000 1.056 246 V CA 2.263 64.598 62.300 0.057 0.000 1.022 246 V CB -0.669 31.151 31.823 -0.006 0.000 0.641 246 V HN 0.378 nan 8.190 nan 0.000 0.445 247 R N -0.344 120.209 120.500 0.089 0.000 2.083 247 R HA -0.260 4.081 4.340 0.001 0.000 0.237 247 R C 2.316 178.701 176.300 0.141 0.000 1.137 247 R CA 2.443 58.597 56.100 0.090 0.000 0.951 247 R CB -0.982 29.370 30.300 0.087 0.000 0.851 247 R HN 0.589 nan 8.270 nan 0.000 0.434 248 Y N 0.864 121.210 120.300 0.077 0.000 2.081 248 Y HA -0.230 4.320 4.550 0.001 0.000 0.280 248 Y C 1.775 177.741 175.900 0.111 0.000 1.163 248 Y CA 2.231 60.395 58.100 0.106 0.000 1.135 248 Y CB -0.305 38.251 38.460 0.161 0.000 0.970 248 Y HN 0.108 nan 8.280 nan 0.000 0.498 249 L N 0.020 121.358 121.223 0.191 0.000 2.046 249 L HA -0.261 4.079 4.340 0.001 0.000 0.208 249 L C 2.572 179.443 176.870 0.002 0.000 1.077 249 L CA 1.716 56.608 54.840 0.087 0.000 0.747 249 L CB -0.732 41.451 42.059 0.207 0.000 0.896 249 L HN 0.304 nan 8.230 nan 0.000 0.432 250 Q N -0.862 118.952 119.800 0.023 0.000 2.170 250 Q HA -0.171 4.169 4.340 0.001 0.000 0.203 250 Q C 1.989 177.978 176.000 -0.017 0.000 0.976 250 Q CA 1.327 57.133 55.803 0.006 0.000 0.858 250 Q CB -0.180 28.566 28.738 0.014 0.000 0.907 250 Q HN 0.561 nan 8.270 nan 0.000 0.433 251 C N 0.080 119.357 119.300 -0.039 0.000 2.524 251 C HA 0.282 4.742 4.460 0.001 0.000 0.301 251 C C 1.477 176.405 174.990 -0.104 0.000 1.296 251 C CA 0.329 59.314 59.018 -0.054 0.000 1.683 251 C CB -1.068 26.652 27.740 -0.032 0.000 1.764 251 C HN 0.792 nan 8.230 nan 0.000 0.597 252 G N 0.390 109.115 108.800 -0.126 0.000 2.175 252 G HA2 -0.118 3.843 3.960 0.001 0.000 0.244 252 G HA3 -0.118 3.843 3.960 0.001 0.000 0.244 252 G C 0.407 175.159 174.900 -0.247 0.000 0.982 252 G CA -0.057 44.959 45.100 -0.139 0.000 0.641 252 G HN 0.825 nan 8.290 nan 0.000 0.527 253 G N 0.074 108.578 108.800 -0.493 0.000 2.353 253 G HA2 0.455 4.415 3.960 0.001 0.000 0.239 253 G HA3 0.455 4.415 3.960 0.001 0.000 0.239 253 G C 0.274 174.911 174.900 -0.440 0.000 1.295 253 G CA 1.156 45.695 45.100 -0.935 0.000 0.884 253 G HN 1.335 nan 8.290 nan 0.000 0.537 254 S N 3.248 118.831 115.700 -0.195 0.000 2.669 254 S HA 0.292 4.762 4.470 0.001 0.000 0.315 254 S C 1.113 175.719 174.600 0.010 0.000 1.106 254 S CA -0.852 57.303 58.200 -0.075 0.000 1.107 254 S CB 0.152 63.274 63.200 -0.129 0.000 0.990 254 S HN 0.749 nan 8.310 nan 0.000 0.471 255 W N 6.195 127.430 121.300 -0.109 0.000 2.342 255 W HA -0.177 4.483 4.660 0.000 0.000 0.297 255 W C 1.006 177.467 176.519 -0.096 0.000 1.213 255 W CA 0.868 58.024 57.345 -0.314 0.000 1.251 255 W CB -0.622 28.157 29.460 -1.135 0.000 1.136 255 W HN 0.655 nan 8.180 nan 0.000 0.526 256 R N 0.806 120.669 120.500 -1.063 0.000 2.115 256 R HA -0.147 4.194 4.340 0.001 0.000 0.230 256 R C 2.410 178.504 176.300 -0.342 0.000 1.111 256 R CA 1.935 57.432 56.100 -1.004 0.000 0.976 256 R CB -0.485 29.157 30.300 -1.096 0.000 0.870 256 R HN 0.344 nan 8.270 nan 0.000 0.445 257 E N 0.469 120.537 120.200 -0.220 0.000 2.112 257 E HA -0.142 4.208 4.350 0.001 0.000 0.190 257 E C 0.587 177.187 176.600 -0.000 0.000 0.979 257 E CA 1.002 57.347 56.400 -0.092 0.000 0.814 257 E CB 0.271 29.919 29.700 -0.086 0.000 0.762 257 E HN 0.223 nan 8.360 nan 0.000 0.460 258 D N -0.169 120.263 120.400 0.054 0.000 2.339 258 D HA -0.078 4.562 4.640 0.001 0.000 0.217 258 D C 1.179 177.550 176.300 0.119 0.000 1.050 258 D CA -0.101 53.944 54.000 0.074 0.000 0.856 258 D CB -0.387 40.474 40.800 0.102 0.000 0.922 258 D HN 0.371 nan 8.370 nan 0.000 0.518 259 W N 2.139 123.440 121.300 0.001 0.000 2.305 259 W HA -0.225 4.436 4.660 0.001 0.000 0.308 259 W C 1.858 178.402 176.519 0.040 0.000 1.226 259 W CA 1.895 59.282 57.345 0.069 0.000 1.253 259 W CB -0.307 29.219 29.460 0.110 0.000 1.146 259 W HN 0.064 nan 8.180 nan 0.000 0.507 260 G N 0.266 109.124 108.800 0.096 0.000 2.462 260 G HA2 -0.322 3.638 3.960 0.001 0.000 0.220 260 G HA3 -0.322 3.638 3.960 0.001 0.000 0.220 260 G C 1.360 176.221 174.900 -0.065 0.000 1.121 260 G CA 0.904 46.007 45.100 0.004 0.000 0.758 260 G HN 0.452 nan 8.290 nan 0.000 0.559 261 Q N -0.373 119.390 119.800 -0.062 0.000 2.364 261 Q HA 0.116 4.457 4.340 0.001 0.000 0.207 261 Q C 2.323 178.294 176.000 -0.048 0.000 0.970 261 Q CA 0.368 56.148 55.803 -0.038 0.000 0.888 261 Q CB -0.154 28.540 28.738 -0.074 0.000 0.951 261 Q HN 0.475 nan 8.270 nan 0.000 0.469 262 L N -0.606 120.506 121.223 -0.185 0.000 2.395 262 L HA -0.044 4.296 4.340 0.001 0.000 0.218 262 L C 1.627 178.394 176.870 -0.172 0.000 1.130 262 L CA 0.568 55.280 54.840 -0.213 0.000 0.826 262 L CB 0.124 41.907 42.059 -0.460 0.000 0.941 262 L HN 0.050 nan 8.230 nan 0.000 0.451 263 S N -0.965 114.643 115.700 -0.153 0.000 2.540 263 S HA 0.222 4.692 4.470 0.001 0.000 0.222 263 S C 0.881 175.451 174.600 -0.050 0.000 1.008 263 S CA 0.023 58.165 58.200 -0.097 0.000 0.939 263 S CB 0.713 63.858 63.200 -0.092 0.000 0.865 263 S HN 0.430 nan 8.310 nan 0.000 0.499 281 R N 0.195 120.740 120.500 0.075 0.000 2.712 281 R HA 0.773 5.114 4.340 0.001 0.000 0.272 281 R C -3.007 173.404 176.300 0.185 0.000 1.032 281 R CA -1.684 54.486 56.100 0.117 0.000 0.874 281 R CB 0.331 30.681 30.300 0.083 0.000 1.256 281 R HN -0.130 nan 8.270 nan 0.000 0.468 282 P HA -0.031 nan 4.420 nan 0.000 0.268 282 P C -0.912 176.556 177.300 0.281 0.000 1.208 282 P CA -0.055 63.178 63.100 0.222 0.000 0.777 282 P CB 0.305 32.121 31.700 0.194 0.000 0.875 283 H N 2.312 121.449 119.070 0.111 0.000 2.629 283 H HA 0.091 4.648 4.556 0.001 0.000 0.357 283 H C 1.289 176.623 175.328 0.010 0.000 1.121 283 H CA -0.125 55.976 56.048 0.088 0.000 1.406 283 H CB 0.760 30.548 29.762 0.044 0.000 1.456 283 H HN 0.435 nan 8.280 nan 0.000 0.579 284 I N 3.532 123.902 120.570 -0.333 0.000 2.399 284 I HA -0.211 3.960 4.170 0.001 0.000 0.254 284 I C 2.030 178.114 176.117 -0.055 0.000 1.146 284 I CA 1.695 62.813 61.300 -0.303 0.000 1.412 284 I CB -0.378 37.469 38.000 -0.255 0.000 1.076 284 I HN 0.800 nan 8.210 nan 0.000 0.432 285 G N -0.350 108.583 108.800 0.222 0.000 2.509 285 G HA2 -0.187 3.774 3.960 0.001 0.000 0.218 285 G HA3 -0.187 3.774 3.960 0.001 0.000 0.218 285 G C 0.897 175.855 174.900 0.098 0.000 1.124 285 G CA 0.676 45.904 45.100 0.214 0.000 0.776 285 G HN 0.410 nan 8.290 nan 0.000 0.547 286 D N 0.223 120.683 120.400 0.099 0.000 2.463 286 D HA 0.131 4.772 4.640 0.001 0.000 0.224 286 D C 1.137 177.437 176.300 -0.001 0.000 1.174 286 D CA 0.266 54.290 54.000 0.039 0.000 0.829 286 D CB 0.577 41.413 40.800 0.061 0.000 0.993 286 D HN 0.404 nan 8.370 nan 0.000 0.497 287 T N -3.351 111.182 114.554 -0.035 0.000 2.883 287 T HA 0.425 4.775 4.350 0.001 0.000 0.284 287 T C 1.331 175.964 174.700 -0.112 0.000 1.041 287 T CA -0.710 61.342 62.100 -0.081 0.000 1.007 287 T CB 1.108 69.896 68.868 -0.132 0.000 1.220 287 T HN -0.157 nan 8.240 nan 0.000 0.552 288 L N -0.360 120.727 121.223 -0.226 0.000 2.362 288 L HA 0.089 4.429 4.340 0.001 0.000 0.219 288 L C 1.996 178.758 176.870 -0.180 0.000 1.134 288 L CA 0.839 55.533 54.840 -0.243 0.000 0.807 288 L CB -0.704 41.192 42.059 -0.272 0.000 0.927 288 L HN 0.584 nan 8.230 nan 0.000 0.447 289 F N 0.155 120.132 119.950 0.045 0.000 2.269 289 F HA -0.198 4.330 4.527 0.001 0.000 0.301 289 F C 2.764 178.625 175.800 0.102 0.000 1.082 289 F CA 1.560 59.651 58.000 0.152 0.000 1.360 289 F CB -1.362 37.724 39.000 0.144 0.000 1.041 289 F HN 0.186 nan 8.300 nan 0.000 0.512 290 T N -1.194 113.416 114.554 0.094 0.000 2.833 290 T HA -0.191 4.159 4.350 0.001 0.000 0.269 290 T C 2.018 176.659 174.700 -0.099 0.000 1.054 290 T CA 1.168 63.249 62.100 -0.032 0.000 1.135 290 T CB -0.869 67.966 68.868 -0.055 0.000 0.869 290 T HN 0.308 nan 8.240 nan 0.000 0.466 291 L N -0.640 120.440 121.223 -0.238 0.000 2.191 291 L HA 0.074 4.415 4.340 0.001 0.000 0.212 291 L C 1.479 177.979 176.870 -0.616 0.000 1.103 291 L CA 1.075 55.639 54.840 -0.460 0.000 0.769 291 L CB -0.664 40.925 42.059 -0.782 0.000 0.908 291 L HN 0.226 nan 8.230 nan 0.000 0.438 292 F N -0.592 119.353 119.950 -0.007 0.000 2.696 292 F HA 0.136 4.663 4.527 0.001 0.000 0.296 292 F C 1.921 177.846 175.800 0.208 0.000 1.181 292 F CA 0.078 58.082 58.000 0.007 0.000 1.411 292 F CB -0.527 38.458 39.000 -0.025 0.000 1.014 292 F HN -0.096 nan 8.300 nan 0.000 0.512 293 R N 0.683 121.294 120.500 0.184 0.000 2.359 293 R HA 0.409 4.749 4.340 0.001 0.000 0.231 293 R C 0.727 177.087 176.300 0.099 0.000 0.913 293 R CA -0.164 56.027 56.100 0.153 0.000 1.075 293 R CB -0.011 30.227 30.300 -0.104 0.000 1.087 293 R HN 0.194 nan 8.270 nan 0.000 0.515 294 A N 1.918 124.778 122.820 0.068 0.000 2.565 294 A HA 0.094 4.414 4.320 0.001 0.000 0.237 294 A C -1.483 176.135 177.584 0.058 0.000 1.053 294 A CA -0.967 51.106 52.037 0.059 0.000 0.755 294 A CB 0.206 19.200 19.000 -0.011 0.000 0.980 294 A HN 0.193 nan 8.150 nan 0.000 0.506 295 P HA -0.144 nan 4.420 nan 0.000 0.220 295 P C 0.625 177.963 177.300 0.064 0.000 1.148 295 P CA 1.292 64.428 63.100 0.060 0.000 0.803 295 P CB 0.184 31.915 31.700 0.051 0.000 0.782 296 E N 0.121 120.346 120.200 0.042 0.000 2.204 296 E HA -0.083 4.267 4.350 0.001 0.000 0.195 296 E C 1.943 178.563 176.600 0.032 0.000 0.990 296 E CA 0.866 57.287 56.400 0.034 0.000 0.821 296 E CB -0.829 28.867 29.700 -0.008 0.000 0.750 296 E HN 0.312 nan 8.360 nan 0.000 0.477 297 L N 0.180 121.369 121.223 -0.056 0.000 2.558 297 L HA 0.168 4.509 4.340 0.001 0.000 0.225 297 L C 0.272 177.283 176.870 0.235 0.000 1.128 297 L CA -0.044 54.740 54.840 -0.093 0.000 0.868 297 L CB -0.123 41.760 42.059 -0.293 0.000 1.006 297 L HN 0.044 nan 8.230 nan 0.000 0.454 298 L N -0.336 120.968 121.223 0.136 0.000 2.331 298 L HA 0.631 4.971 4.340 0.001 0.000 0.275 298 L C 0.437 177.188 176.870 -0.198 0.000 1.022 298 L CA -0.635 54.184 54.840 -0.035 0.000 0.812 298 L CB 1.549 43.630 42.059 0.037 0.000 1.257 298 L HN -0.099 nan 8.230 nan 0.000 0.435 299 A N 2.730 125.198 122.820 -0.588 0.000 2.296 299 A HA 0.439 4.760 4.320 0.001 0.000 0.264 299 A C -1.685 175.827 177.584 -0.121 0.000 1.097 299 A CA -1.116 50.632 52.037 -0.482 0.000 0.811 299 A CB -0.260 18.387 19.000 -0.589 0.000 1.072 299 A HN 0.649 nan 8.150 nan 0.000 0.495 300 P HA -0.170 nan 4.420 nan 0.000 0.218 300 P C 0.622 177.916 177.300 -0.009 0.000 1.146 300 P CA 1.777 64.881 63.100 0.008 0.000 0.813 300 P CB -0.092 31.626 31.700 0.030 0.000 0.778 301 N N -1.696 116.985 118.700 -0.031 0.000 2.398 301 N HA 0.098 4.838 4.740 0.001 0.000 0.188 301 N C 1.212 176.713 175.510 -0.015 0.000 1.122 301 N CA 0.708 53.746 53.050 -0.020 0.000 0.866 301 N CB -0.835 37.639 38.487 -0.023 0.000 0.970 301 N HN 0.183 nan 8.380 nan 0.000 0.462 302 G N -0.711 108.075 108.800 -0.023 0.000 2.195 302 G HA2 -0.254 3.706 3.960 0.001 0.000 0.246 302 G HA3 -0.254 3.706 3.960 0.001 0.000 0.246 302 G C -0.618 174.301 174.900 0.031 0.000 0.984 302 G CA 0.150 45.259 45.100 0.014 0.000 0.633 302 G HN 0.450 nan 8.290 nan 0.000 0.525 303 D N 0.262 120.635 120.400 -0.045 0.000 2.372 303 D HA 0.389 5.030 4.640 0.001 0.000 0.243 303 D C 0.912 177.131 176.300 -0.135 0.000 1.121 303 D CA -0.298 53.666 54.000 -0.060 0.000 0.898 303 D CB 1.017 41.746 40.800 -0.118 0.000 1.202 303 D HN 0.244 nan 8.370 nan 0.000 0.428 304 L N 2.545 123.713 121.223 -0.092 0.000 2.367 304 L HA 0.091 4.431 4.340 0.001 0.000 0.275 304 L C -0.199 176.588 176.870 -0.138 0.000 1.129 304 L CA -0.495 54.291 54.840 -0.088 0.000 0.839 304 L CB 0.226 42.162 42.059 -0.206 0.000 1.133 304 L HN 0.322 nan 8.230 nan 0.000 0.453 305 Y N 3.968 124.301 120.300 0.055 0.000 2.480 305 Y HA -0.065 4.486 4.550 0.001 0.000 0.338 305 Y C 1.734 177.437 175.900 -0.330 0.000 1.220 305 Y CA 0.118 58.155 58.100 -0.106 0.000 1.430 305 Y CB 0.252 38.652 38.460 -0.099 0.000 1.311 305 Y HN 0.588 nan 8.280 nan 0.000 0.575 306 N N 1.102 119.584 118.700 -0.363 0.000 2.149 306 N HA -0.169 4.571 4.740 0.001 0.000 0.188 306 N C 1.816 176.607 175.510 -1.198 0.000 1.019 306 N CA 1.730 54.207 53.050 -0.955 0.000 0.857 306 N CB -0.244 37.518 38.487 -1.208 0.000 0.997 306 N HN 0.493 nan 8.380 nan 0.000 0.426 307 V N 0.749 120.201 119.914 -0.770 0.000 2.282 307 V HA -0.244 3.877 4.120 0.001 0.000 0.249 307 V C 1.972 177.850 176.094 -0.361 0.000 1.057 307 V CA 1.713 63.727 62.300 -0.476 0.000 1.032 307 V CB -1.081 30.297 31.823 -0.742 0.000 0.645 307 V HN 0.065 nan 8.190 nan 0.000 0.447 308 F N 1.267 121.136 119.950 -0.136 0.000 2.259 308 F HA 0.198 4.726 4.527 0.001 0.000 0.298 308 F C 2.542 178.210 175.800 -0.221 0.000 1.088 308 F CA 0.649 58.556 58.000 -0.154 0.000 1.358 308 F CB -1.341 37.590 39.000 -0.115 0.000 1.040 308 F HN 0.097 nan 8.300 nan 0.000 0.505 309 A N -0.104 122.648 122.820 -0.114 0.000 1.933 309 A HA -0.162 4.159 4.320 0.001 0.000 0.218 309 A C 1.987 179.641 177.584 0.117 0.000 1.175 309 A CA 1.279 53.291 52.037 -0.041 0.000 0.628 309 A CB -1.134 17.824 19.000 -0.069 0.000 0.814 309 A HN 0.479 nan 8.150 nan 0.000 0.444 310 W N -0.465 120.875 121.300 0.066 0.000 2.402 310 W HA 0.062 4.722 4.660 0.000 0.000 0.286 310 W C 2.672 179.197 176.519 0.011 0.000 1.221 310 W CA 0.583 57.957 57.345 0.049 0.000 1.257 310 W CB -1.105 28.354 29.460 -0.001 0.000 1.120 310 W HN 0.456 nan 8.180 nan 0.000 0.551 311 A N 0.259 123.173 122.820 0.155 0.000 1.969 311 A HA -0.107 4.213 4.320 0.001 0.000 0.218 311 A C 2.126 179.659 177.584 -0.086 0.000 1.169 311 A CA 1.150 53.201 52.037 0.023 0.000 0.635 311 A CB -0.902 18.084 19.000 -0.023 0.000 0.810 311 A HN 0.212 nan 8.150 nan 0.000 0.445 312 L N -0.649 120.465 121.223 -0.182 0.000 2.156 312 L HA -0.124 4.217 4.340 0.001 0.000 0.208 312 L C 1.806 178.667 176.870 -0.015 0.000 1.095 312 L CA 1.016 55.651 54.840 -0.342 0.000 0.770 312 L CB -0.599 40.846 42.059 -1.024 0.000 0.914 312 L HN 0.310 nan 8.230 nan 0.000 0.439 313 D N -0.042 120.512 120.400 0.256 0.000 2.117 313 D HA -0.134 4.507 4.640 0.001 0.000 0.198 313 D C 2.327 178.763 176.300 0.226 0.000 0.982 313 D CA 1.091 55.332 54.000 0.401 0.000 0.828 313 D CB 0.010 41.047 40.800 0.396 0.000 0.967 313 D HN 0.110 nan 8.370 nan 0.000 0.464 314 V N 1.317 121.316 119.914 0.142 0.000 2.343 314 V HA -0.210 3.910 4.120 0.001 0.000 0.247 314 V C 2.510 178.641 176.094 0.062 0.000 1.051 314 V CA 0.949 63.300 62.300 0.084 0.000 1.036 314 V CB -0.466 31.389 31.823 0.053 0.000 0.654 314 V HN 0.121 nan 8.190 nan 0.000 0.451 315 L N 1.060 122.298 121.223 0.025 0.000 1.989 315 L HA -0.165 4.176 4.340 0.001 0.000 0.211 315 L C 2.501 179.409 176.870 0.063 0.000 1.071 315 L CA 2.515 57.345 54.840 -0.017 0.000 0.749 315 L CB -1.071 40.907 42.059 -0.136 0.000 0.890 315 L HN 0.232 nan 8.230 nan 0.000 0.431 316 A N -0.522 122.420 122.820 0.203 0.000 1.873 316 A HA -0.332 3.989 4.320 0.001 0.000 0.218 316 A C 2.482 180.171 177.584 0.175 0.000 1.193 316 A CA 2.364 54.585 52.037 0.307 0.000 0.629 316 A CB -0.792 18.490 19.000 0.471 0.000 0.826 316 A HN 0.539 nan 8.150 nan 0.000 0.447 317 K N -1.064 119.420 120.400 0.141 0.000 2.063 317 K HA -0.180 4.141 4.320 0.001 0.000 0.208 317 K C 2.279 178.909 176.600 0.049 0.000 1.048 317 K CA 1.346 57.686 56.287 0.087 0.000 0.928 317 K CB -0.112 32.435 32.500 0.079 0.000 0.713 317 K HN 0.280 nan 8.250 nan 0.000 0.442 318 R N 0.558 121.081 120.500 0.038 0.000 2.075 318 R HA -0.064 4.277 4.340 0.001 0.000 0.232 318 R C 2.369 178.656 176.300 -0.022 0.000 1.126 318 R CA 1.093 57.199 56.100 0.008 0.000 0.963 318 R CB -0.632 29.673 30.300 0.009 0.000 0.858 318 R HN 0.321 nan 8.270 nan 0.000 0.435 319 L N -0.019 121.196 121.223 -0.013 0.000 2.044 319 L HA -0.035 4.306 4.340 0.001 0.000 0.205 319 L C 2.791 179.638 176.870 -0.039 0.000 1.075 319 L CA 0.942 55.758 54.840 -0.040 0.000 0.747 319 L CB -0.511 41.530 42.059 -0.030 0.000 0.903 319 L HN 0.132 nan 8.230 nan 0.000 0.435 320 R N 0.905 121.410 120.500 0.007 0.000 2.134 320 R HA -0.229 4.112 4.340 0.001 0.000 0.248 320 R C 2.093 178.356 176.300 -0.061 0.000 1.143 320 R CA 2.227 58.330 56.100 0.005 0.000 0.957 320 R CB -0.247 30.079 30.300 0.043 0.000 0.867 320 R HN 0.453 nan 8.270 nan 0.000 0.441 321 S N -0.721 114.926 115.700 -0.089 0.000 2.631 321 S HA 0.166 4.637 4.470 0.001 0.000 0.217 321 S C 0.679 175.062 174.600 -0.362 0.000 0.958 321 S CA -0.334 57.766 58.200 -0.167 0.000 0.920 321 S CB 0.026 63.178 63.200 -0.080 0.000 0.776 321 S HN 0.184 nan 8.310 nan 0.000 0.517 322 M N 2.835 122.255 119.600 -0.300 0.000 2.250 322 M HA 0.270 4.751 4.480 0.001 0.000 0.344 322 M C -0.239 175.810 176.300 -0.418 0.000 1.150 322 M CA -0.077 55.025 55.300 -0.331 0.000 1.147 322 M CB 0.535 33.007 32.600 -0.214 0.000 1.498 322 M HN 0.228 nan 8.290 nan 0.000 0.461 323 H N 2.136 121.202 119.070 -0.006 0.000 2.581 323 H HA 0.384 4.940 4.556 0.001 0.000 0.308 323 H C -0.948 174.264 175.328 -0.193 0.000 1.040 323 H CA -0.479 55.516 56.048 -0.089 0.000 1.231 323 H CB 0.674 30.481 29.762 0.074 0.000 1.396 323 H HN 0.336 nan 8.280 nan 0.000 0.467 324 V N 5.051 124.794 119.914 -0.285 0.000 2.481 324 V HA 0.273 4.394 4.120 0.001 0.000 0.286 324 V C -0.265 175.489 176.094 -0.567 0.000 1.042 324 V CA -0.382 61.777 62.300 -0.236 0.000 0.928 324 V CB 0.627 32.386 31.823 -0.106 0.000 0.986 324 V HN 0.477 nan 8.190 nan 0.000 0.462 325 F N 4.234 124.232 119.950 0.081 0.000 2.539 325 F HA 0.584 5.112 4.527 0.001 0.000 0.318 325 F C -0.205 175.625 175.800 0.050 0.000 1.135 325 F CA -0.832 57.204 58.000 0.060 0.000 0.915 325 F CB 1.654 40.686 39.000 0.053 0.000 1.176 325 F HN 0.163 nan 8.300 nan 0.000 0.440 326 I N 4.558 125.230 120.570 0.171 0.000 2.331 326 I HA 0.301 4.471 4.170 0.001 0.000 0.292 326 I C -0.614 175.542 176.117 0.065 0.000 0.998 326 I CA -0.743 60.621 61.300 0.107 0.000 1.267 326 I CB 1.328 39.371 38.000 0.072 0.000 1.386 326 I HN 0.394 nan 8.210 nan 0.000 0.476 327 L N 6.622 127.852 121.223 0.011 0.000 2.298 327 L HA 0.433 4.774 4.340 0.001 0.000 0.284 327 L C -0.334 176.413 176.870 -0.206 0.000 1.013 327 L CA -0.269 54.480 54.840 -0.151 0.000 0.824 327 L CB 1.120 42.996 42.059 -0.305 0.000 1.221 327 L HN 0.435 nan 8.230 nan 0.000 0.418 328 D N 3.408 123.710 120.400 -0.163 0.000 2.358 328 D HA 0.018 4.659 4.640 0.001 0.000 0.258 328 D C 0.028 176.226 176.300 -0.170 0.000 1.223 328 D CA 0.444 54.388 54.000 -0.094 0.000 0.886 328 D CB 0.461 41.232 40.800 -0.049 0.000 1.120 328 D HN 0.523 nan 8.370 nan 0.000 0.482 329 Y N 1.428 121.707 120.300 -0.035 0.000 2.466 329 Y HA 0.087 4.638 4.550 0.001 0.000 0.272 329 Y C 0.949 176.825 175.900 -0.041 0.000 1.169 329 Y CA -0.205 57.867 58.100 -0.046 0.000 1.285 329 Y CB 0.389 38.801 38.460 -0.080 0.000 1.078 329 Y HN 0.345 nan 8.280 nan 0.000 0.523 330 D N 1.833 122.280 120.400 0.078 0.000 2.845 330 D HA 0.088 4.728 4.640 0.001 0.000 0.235 330 D C -0.274 176.042 176.300 0.026 0.000 1.158 330 D CA 0.118 54.147 54.000 0.048 0.000 0.990 330 D CB -0.492 40.329 40.800 0.035 0.000 1.094 330 D HN 0.516 nan 8.370 nan 0.000 0.486 331 Q N -1.424 118.394 119.800 0.029 0.000 2.804 331 Q HA 0.303 4.644 4.340 0.001 0.000 0.302 331 Q C -0.821 175.191 176.000 0.020 0.000 0.885 331 Q CA -1.063 54.747 55.803 0.012 0.000 0.759 331 Q CB 0.112 28.845 28.738 -0.009 0.000 1.465 331 Q HN 0.079 nan 8.270 nan 0.000 0.432 332 S N -0.576 115.130 115.700 0.010 0.000 2.589 332 S HA 0.218 4.689 4.470 0.001 0.000 0.265 332 S C -1.847 172.760 174.600 0.013 0.000 1.342 332 S CA -0.377 57.831 58.200 0.012 0.000 1.005 332 S CB 0.377 63.580 63.200 0.004 0.000 0.909 332 S HN 0.568 nan 8.310 nan 0.000 0.555 333 P HA -0.052 nan 4.420 nan 0.000 0.216 333 P C 1.521 178.818 177.300 -0.005 0.000 1.150 333 P CA 1.857 64.968 63.100 0.018 0.000 0.837 333 P CB -0.267 31.444 31.700 0.018 0.000 0.786 334 A N -0.248 122.565 122.820 -0.010 0.000 1.930 334 A HA -0.037 4.283 4.320 0.001 0.000 0.217 334 A C 2.479 180.045 177.584 -0.030 0.000 1.175 334 A CA 1.929 53.953 52.037 -0.021 0.000 0.627 334 A CB -1.818 17.172 19.000 -0.017 0.000 0.815 334 A HN 0.274 nan 8.150 nan 0.000 0.443 335 G N -0.697 108.087 108.800 -0.027 0.000 2.421 335 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 335 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 335 G C 1.604 176.467 174.900 -0.061 0.000 1.171 335 G CA 1.320 46.398 45.100 -0.037 0.000 0.775 335 G HN 0.514 nan 8.290 nan 0.000 0.543 336 C N 0.179 119.438 119.300 -0.068 0.000 2.413 336 C HA 0.003 4.464 4.460 0.001 0.000 0.276 336 C C 2.846 177.768 174.990 -0.114 0.000 1.248 336 C CA 0.892 59.835 59.018 -0.126 0.000 1.742 336 C CB -0.768 26.916 27.740 -0.094 0.000 2.017 336 C HN 0.455 nan 8.230 nan 0.000 0.481 337 R N 1.423 121.880 120.500 -0.072 0.000 2.083 337 R HA -0.137 4.204 4.340 0.001 0.000 0.237 337 R C 1.600 177.856 176.300 -0.074 0.000 1.137 337 R CA 2.154 58.212 56.100 -0.070 0.000 0.951 337 R CB -0.931 29.336 30.300 -0.056 0.000 0.851 337 R HN 0.512 nan 8.270 nan 0.000 0.434 338 D N 0.420 120.781 120.400 -0.065 0.000 2.084 338 D HA -0.085 4.556 4.640 0.001 0.000 0.196 338 D C 1.877 178.135 176.300 -0.070 0.000 0.985 338 D CA 1.589 55.553 54.000 -0.060 0.000 0.826 338 D CB -0.576 40.195 40.800 -0.048 0.000 0.978 338 D HN 0.297 nan 8.370 nan 0.000 0.456 339 A N 1.326 124.098 122.820 -0.080 0.000 1.881 339 A HA -0.240 4.080 4.320 0.001 0.000 0.219 339 A C 2.216 179.741 177.584 -0.099 0.000 1.215 339 A CA 1.937 53.920 52.037 -0.091 0.000 0.648 339 A CB -1.067 17.858 19.000 -0.125 0.000 0.832 339 A HN 0.281 nan 8.150 nan 0.000 0.455 340 L N -1.258 119.894 121.223 -0.117 0.000 2.042 340 L HA -0.119 4.221 4.340 0.001 0.000 0.210 340 L C 2.215 179.022 176.870 -0.105 0.000 1.076 340 L CA 2.068 56.840 54.840 -0.112 0.000 0.749 340 L CB -0.591 41.405 42.059 -0.106 0.000 0.893 340 L HN 0.316 nan 8.230 nan 0.000 0.432 341 L N -0.675 120.492 121.223 -0.093 0.000 2.141 341 L HA -0.136 4.204 4.340 0.001 0.000 0.209 341 L C 2.468 179.287 176.870 -0.087 0.000 1.094 341 L CA 1.534 56.321 54.840 -0.088 0.000 0.763 341 L CB -0.896 41.118 42.059 -0.075 0.000 0.908 341 L HN 0.458 nan 8.230 nan 0.000 0.437 342 Q N -1.075 118.679 119.800 -0.077 0.000 2.172 342 Q HA -0.084 4.257 4.340 0.001 0.000 0.200 342 Q C 2.048 178.001 176.000 -0.078 0.000 0.964 342 Q CA 0.936 56.700 55.803 -0.065 0.000 0.855 342 Q CB -0.072 28.638 28.738 -0.047 0.000 0.918 342 Q HN 0.350 nan 8.270 nan 0.000 0.444 343 L N 0.800 121.963 121.223 -0.100 0.000 2.275 343 L HA -0.110 4.231 4.340 0.001 0.000 0.215 343 L C 2.382 179.079 176.870 -0.289 0.000 1.119 343 L CA 2.010 56.762 54.840 -0.147 0.000 0.790 343 L CB -1.209 40.771 42.059 -0.131 0.000 0.919 343 L HN 0.326 nan 8.230 nan 0.000 0.443 344 T N -5.665 108.751 114.554 -0.232 0.000 3.035 344 T HA -0.088 4.262 4.350 0.001 0.000 0.268 344 T C 1.966 176.547 174.700 -0.199 0.000 1.109 344 T CA 1.134 63.084 62.100 -0.250 0.000 1.119 344 T CB -0.356 68.414 68.868 -0.163 0.000 0.900 344 T HN 0.207 nan 8.240 nan 0.000 0.503 345 S N 1.332 116.949 115.700 -0.137 0.000 2.419 345 S HA 0.091 4.561 4.470 0.001 0.000 0.233 345 S C 2.095 176.654 174.600 -0.069 0.000 1.016 345 S CA 0.931 59.080 58.200 -0.085 0.000 0.974 345 S CB -0.573 62.597 63.200 -0.051 0.000 0.786 345 S HN 0.781 nan 8.310 nan 0.000 0.492 346 G N 0.255 109.007 108.800 -0.080 0.000 3.088 346 G HA2 0.322 4.283 3.960 0.001 0.000 0.217 346 G HA3 0.322 4.283 3.960 0.001 0.000 0.217 346 G C 0.254 175.173 174.900 0.032 0.000 1.159 346 G CA -0.363 44.758 45.100 0.035 0.000 0.760 346 G HN 0.315 nan 8.290 nan 0.000 0.550 347 M N 0.893 120.372 119.600 -0.202 0.000 2.241 347 M HA 0.266 4.746 4.480 0.001 0.000 0.335 347 M C -0.284 175.984 176.300 -0.053 0.000 1.122 347 M CA -0.178 55.020 55.300 -0.171 0.000 1.164 347 M CB 1.945 34.349 32.600 -0.326 0.000 1.459 347 M HN -0.237 nan 8.290 nan 0.000 0.461 348 V N 2.716 122.620 119.914 -0.017 0.000 2.407 348 V HA 0.221 4.341 4.120 0.001 0.000 0.278 348 V C -0.072 176.030 176.094 0.014 0.000 1.037 348 V CA -0.620 61.656 62.300 -0.041 0.000 0.900 348 V CB 1.028 32.770 31.823 -0.136 0.000 0.983 348 V HN 0.787 nan 8.190 nan 0.000 0.459 349 Q N 2.291 122.081 119.800 -0.017 0.000 2.215 349 Q HA 0.702 5.043 4.340 0.001 0.000 0.256 349 Q C 0.034 176.009 176.000 -0.042 0.000 0.972 349 Q CA -0.592 55.193 55.803 -0.030 0.000 0.889 349 Q CB 2.260 30.955 28.738 -0.073 0.000 1.281 349 Q HN 0.938 nan 8.270 nan 0.000 0.456 350 T N -2.877 111.650 114.554 -0.046 0.000 2.864 350 T HA 0.418 4.769 4.350 0.001 0.000 0.289 350 T C -0.535 174.091 174.700 -0.123 0.000 1.082 350 T CA -0.887 61.188 62.100 -0.042 0.000 1.009 350 T CB 1.241 70.150 68.868 0.069 0.000 1.234 350 T HN 0.436 nan 8.240 nan 0.000 0.526 351 H N -0.317 118.788 119.070 0.057 0.000 2.488 351 H HA 0.591 5.148 4.556 0.001 0.000 0.347 351 H C 0.429 175.795 175.328 0.064 0.000 1.174 351 H CA -0.317 55.762 56.048 0.051 0.000 1.307 351 H CB 1.814 31.601 29.762 0.043 0.000 1.517 351 H HN 0.709 nan 8.280 nan 0.000 0.554 352 V N -0.480 119.549 119.914 0.193 0.000 3.109 352 V HA 0.240 4.361 4.120 0.001 0.000 0.317 352 V C 1.329 177.506 176.094 0.138 0.000 1.074 352 V CA -0.179 62.215 62.300 0.156 0.000 1.033 352 V CB 1.212 33.119 31.823 0.141 0.000 1.111 352 V HN 0.974 nan 8.190 nan 0.000 0.458 353 T N -1.730 112.896 114.554 0.119 0.000 3.054 353 T HA 0.162 4.513 4.350 0.001 0.000 0.259 353 T C 0.764 175.494 174.700 0.051 0.000 1.092 353 T CA 0.803 62.942 62.100 0.065 0.000 1.121 353 T CB -0.436 68.444 68.868 0.020 0.000 0.912 353 T HN 1.231 nan 8.240 nan 0.000 0.489 354 T N -1.293 113.310 114.554 0.081 0.000 2.916 354 T HA 0.571 4.921 4.350 0.001 0.000 0.292 354 T C -2.413 172.336 174.700 0.081 0.000 1.064 354 T CA -1.863 60.277 62.100 0.068 0.000 1.011 354 T CB 2.179 71.086 68.868 0.065 0.000 1.152 354 T HN -0.230 nan 8.240 nan 0.000 0.510 355 P HA 0.120 nan 4.420 nan 0.000 0.221 355 P C 1.253 178.586 177.300 0.056 0.000 1.150 355 P CA 0.811 63.942 63.100 0.052 0.000 0.800 355 P CB -0.322 31.400 31.700 0.037 0.000 0.787 356 G N -0.640 108.201 108.800 0.067 0.000 3.371 356 G HA2 0.068 4.028 3.960 0.001 0.000 0.248 356 G HA3 0.068 4.028 3.960 0.001 0.000 0.248 356 G C 1.204 176.157 174.900 0.089 0.000 1.161 356 G CA -0.006 45.133 45.100 0.065 0.000 0.796 356 G HN 0.123 nan 8.290 nan 0.000 0.539 357 S N 0.652 116.425 115.700 0.122 0.000 2.371 357 S HA -0.026 4.444 4.470 0.001 0.000 0.224 357 S C 2.356 176.944 174.600 -0.021 0.000 1.029 357 S CA 0.222 58.506 58.200 0.140 0.000 0.978 357 S CB -0.017 63.351 63.200 0.282 0.000 0.833 357 S HN 0.270 nan 8.310 nan 0.000 0.466 358 I N 2.376 122.950 120.570 0.006 0.000 2.069 358 I HA -0.126 4.044 4.170 0.001 0.000 0.237 358 I C -0.724 175.365 176.117 -0.046 0.000 1.053 358 I CA 1.574 62.860 61.300 -0.023 0.000 1.311 358 I CB -2.905 35.093 38.000 -0.005 0.000 1.030 358 I HN 0.155 nan 8.210 nan 0.000 0.398 359 P HA -0.143 nan 4.420 nan 0.000 0.216 359 P C 1.816 179.087 177.300 -0.048 0.000 1.157 359 P CA 2.094 65.177 63.100 -0.028 0.000 0.880 359 P CB -0.294 31.401 31.700 -0.008 0.000 0.791 360 T N -0.346 114.169 114.554 -0.065 0.000 2.684 360 T HA -0.145 4.205 4.350 0.001 0.000 0.267 360 T C 1.817 176.427 174.700 -0.150 0.000 1.036 360 T CA 1.229 63.268 62.100 -0.101 0.000 1.148 360 T CB -0.991 67.793 68.868 -0.140 0.000 0.863 360 T HN 0.081 nan 8.240 nan 0.000 0.436 361 I N 0.711 121.160 120.570 -0.201 0.000 2.163 361 I HA -0.227 3.943 4.170 0.001 0.000 0.243 361 I C 2.782 178.830 176.117 -0.115 0.000 1.085 361 I CA 0.917 62.116 61.300 -0.168 0.000 1.347 361 I CB -0.561 37.350 38.000 -0.148 0.000 1.044 361 I HN 0.338 nan 8.210 nan 0.000 0.408 362 C N 0.981 120.225 119.300 -0.093 0.000 2.398 362 C HA -0.204 4.256 4.460 0.001 0.000 0.276 362 C C 2.503 177.458 174.990 -0.058 0.000 1.222 362 C CA 1.210 60.183 59.018 -0.076 0.000 1.746 362 C CB -1.076 26.631 27.740 -0.055 0.000 2.039 362 C HN 0.552 nan 8.230 nan 0.000 0.470 363 D N 0.535 120.908 120.400 -0.045 0.000 2.117 363 D HA -0.111 4.530 4.640 0.001 0.000 0.197 363 D C 2.062 178.355 176.300 -0.012 0.000 0.987 363 D CA 0.664 54.650 54.000 -0.024 0.000 0.829 363 D CB -0.764 40.027 40.800 -0.016 0.000 0.961 363 D HN 0.288 nan 8.370 nan 0.000 0.460 364 L N 1.442 122.652 121.223 -0.020 0.000 1.971 364 L HA -0.191 4.149 4.340 0.001 0.000 0.215 364 L C 2.216 179.105 176.870 0.032 0.000 1.072 364 L CA 2.154 57.002 54.840 0.013 0.000 0.758 364 L CB -1.232 40.824 42.059 -0.004 0.000 0.889 364 L HN -0.004 nan 8.230 nan 0.000 0.433 365 A N 0.145 122.938 122.820 -0.045 0.000 1.865 365 A HA -0.252 4.069 4.320 0.001 0.000 0.217 365 A C 2.312 179.879 177.584 -0.028 0.000 1.191 365 A CA 1.937 53.912 52.037 -0.103 0.000 0.623 365 A CB -0.571 18.305 19.000 -0.206 0.000 0.826 365 A HN 0.552 nan 8.150 nan 0.000 0.444 366 R N -1.150 119.335 120.500 -0.023 0.000 2.096 366 R HA -0.072 4.268 4.340 0.001 0.000 0.235 366 R C 2.268 178.584 176.300 0.026 0.000 1.127 366 R CA 1.725 57.823 56.100 -0.003 0.000 0.968 366 R CB -0.746 29.546 30.300 -0.013 0.000 0.861 366 R HN 0.526 nan 8.270 nan 0.000 0.440 367 T N 1.059 115.634 114.554 0.035 0.000 2.746 367 T HA -0.149 4.201 4.350 0.001 0.000 0.267 367 T C 1.347 176.081 174.700 0.057 0.000 1.039 367 T CA 1.207 63.327 62.100 0.034 0.000 1.142 367 T CB -0.300 68.585 68.868 0.027 0.000 0.866 367 T HN 0.150 nan 8.240 nan 0.000 0.444 368 F N 2.409 122.319 119.950 -0.066 0.000 2.069 368 F HA -0.072 4.455 4.527 0.001 0.000 0.298 368 F C 2.490 178.230 175.800 -0.100 0.000 1.113 368 F CA 1.166 59.118 58.000 -0.080 0.000 1.214 368 F CB -0.915 38.036 39.000 -0.082 0.000 0.978 368 F HN 0.145 nan 8.300 nan 0.000 0.474 369 A N 0.552 123.533 122.820 0.269 0.000 1.892 369 A HA -0.281 4.040 4.320 0.001 0.000 0.218 369 A C 2.436 180.030 177.584 0.017 0.000 1.188 369 A CA 2.095 54.201 52.037 0.116 0.000 0.631 369 A CB -1.038 17.979 19.000 0.029 0.000 0.822 369 A HN 0.501 nan 8.150 nan 0.000 0.447 370 R N -0.518 119.985 120.500 0.005 0.000 2.096 370 R HA -0.172 4.168 4.340 0.001 0.000 0.235 370 R C 2.222 178.493 176.300 -0.049 0.000 1.127 370 R CA 1.883 57.972 56.100 -0.018 0.000 0.968 370 R CB -0.212 30.081 30.300 -0.011 0.000 0.861 370 R HN 0.758 nan 8.270 nan 0.000 0.440 371 E N -0.650 119.502 120.200 -0.081 0.000 2.140 371 E HA -0.078 4.272 4.350 0.001 0.000 0.191 371 E C 1.653 178.151 176.600 -0.170 0.000 0.973 371 E CA 0.771 57.101 56.400 -0.116 0.000 0.829 371 E CB 0.222 29.847 29.700 -0.127 0.000 0.781 371 E HN 0.339 nan 8.360 nan 0.000 0.466 372 M N -0.775 118.662 119.600 -0.270 0.000 2.449 372 M HA 0.214 4.694 4.480 0.001 0.000 0.262 372 M C 1.009 177.169 176.300 -0.233 0.000 1.152 372 M CA 0.198 55.301 55.300 -0.329 0.000 1.104 372 M CB 1.515 33.720 32.600 -0.659 0.000 1.416 372 M HN 0.018 nan 8.290 nan 0.000 0.519 373 G N 1.739 110.461 108.800 -0.130 0.000 3.343 373 G HA2 0.425 4.386 3.960 0.001 0.000 0.279 373 G HA3 0.425 4.386 3.960 0.001 0.000 0.279 373 G C -0.585 174.286 174.900 -0.048 0.000 0.919 373 G CA -0.031 45.028 45.100 -0.068 0.000 1.812 373 G HN 0.304 nan 8.290 nan 0.000 0.584 374 E N 0.000 120.163 120.200 -0.062 0.000 2.725 374 E HA 0.000 4.350 4.350 0.001 0.000 0.291 374 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 374 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 374 E HN 0.000 nan 8.360 nan 0.000 0.440