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 1e2j_1_A DATA FIRST_RESID 46 DATA SEQUENCE MPTLLRVYID GPHGMGKTTT TQLLXXXXXR DDIVYVPEPM TYWRVLGASE DATA SEQUENCE TIANIYTTQH RLDQGEISAG DAAVVMTSAN ITMGMPYAVT DAVLAPHIGG DATA SEQUENCE EAGSXXXPPP 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 0.000 176.405 176.300 0.174 0.000 1.140 46 M CA 0.000 55.367 55.300 0.112 0.000 0.988 46 M CB 0.000 32.661 32.600 0.101 0.000 1.302 47 P HA 0.326 nan 4.420 nan 0.000 0.271 47 P C -0.306 177.038 177.300 0.073 0.000 1.233 47 P CA 0.072 63.219 63.100 0.079 0.000 0.789 47 P CB 0.204 31.933 31.700 0.048 0.000 0.951 48 T N -1.198 113.354 114.554 -0.002 0.000 2.895 48 T HA 0.642 4.993 4.350 0.001 0.000 0.283 48 T C -0.557 174.120 174.700 -0.039 0.000 1.014 48 T CA -0.826 61.226 62.100 -0.081 0.000 1.037 48 T CB 1.139 69.911 68.868 -0.159 0.000 1.006 48 T HN 0.312 nan 8.240 nan 0.000 0.468 49 L N 2.290 123.496 121.223 -0.030 0.000 2.362 49 L HA 0.820 5.161 4.340 0.001 0.000 0.271 49 L C -1.551 175.319 176.870 -0.000 0.000 1.002 49 L CA -1.205 53.633 54.840 -0.004 0.000 0.818 49 L CB 1.931 44.008 42.059 0.030 0.000 1.298 49 L HN 0.779 nan 8.230 nan 0.000 0.420 50 L N 4.675 125.896 121.223 -0.003 0.000 2.318 50 L HA 0.578 4.919 4.340 0.001 0.000 0.277 50 L C -0.800 176.085 176.870 0.024 0.000 1.008 50 L CA -0.129 54.714 54.840 0.004 0.000 0.846 50 L CB 0.782 42.825 42.059 -0.026 0.000 1.220 50 L HN 0.604 nan 8.230 nan 0.000 0.423 51 R N 4.202 124.749 120.500 0.079 0.000 2.265 51 R HA 0.705 5.046 4.340 0.001 0.000 0.319 51 R C -1.265 175.072 176.300 0.061 0.000 1.006 51 R CA -0.759 55.401 56.100 0.100 0.000 0.880 51 R CB 1.809 32.222 30.300 0.188 0.000 1.077 51 R HN 0.422 nan 8.270 nan 0.000 0.454 52 V N 4.550 124.463 119.914 -0.001 0.000 2.482 52 V HA 0.261 4.381 4.120 0.001 0.000 0.295 52 V C -1.191 174.922 176.094 0.030 0.000 1.026 52 V CA -0.933 61.393 62.300 0.044 0.000 0.856 52 V CB 1.233 33.071 31.823 0.025 0.000 1.001 52 V HN 0.629 nan 8.190 nan 0.000 0.424 53 Y N 4.738 125.175 120.300 0.229 0.000 2.385 53 Y HA 0.517 5.067 4.550 0.001 0.000 0.341 53 Y C 0.289 176.300 175.900 0.186 0.000 0.965 53 Y CA -1.019 57.206 58.100 0.208 0.000 1.180 53 Y CB 1.047 39.578 38.460 0.118 0.000 1.139 53 Y HN 0.389 nan 8.280 nan 0.000 0.502 54 I N 4.299 125.050 120.570 0.301 0.000 2.337 54 I HA 0.179 4.350 4.170 0.001 0.000 0.291 54 I C 0.152 176.406 176.117 0.228 0.000 1.046 54 I CA -0.090 61.356 61.300 0.244 0.000 1.324 54 I CB 0.230 38.362 38.000 0.219 0.000 1.409 54 I HN 0.679 nan 8.210 nan 0.000 0.494 55 D N 3.365 123.880 120.400 0.192 0.000 2.636 55 D HA 0.790 5.431 4.640 0.001 0.000 0.275 55 D C -0.189 176.082 176.300 -0.049 0.000 1.130 55 D CA 0.054 54.133 54.000 0.132 0.000 1.031 55 D CB 3.179 44.111 40.800 0.220 0.000 1.451 55 D HN 0.674 nan 8.370 nan 0.000 0.505 56 G N 0.222 108.782 108.800 -0.401 0.000 2.347 56 G HA2 0.075 4.036 3.960 0.001 0.000 0.341 56 G HA3 0.075 4.036 3.960 0.001 0.000 0.341 56 G C -3.049 171.321 174.900 -0.883 0.000 1.287 56 G CA -0.960 43.518 45.100 -1.037 0.000 0.984 56 G HN 0.352 nan 8.290 nan 0.000 0.526 57 P HA 0.219 nan 4.420 nan 0.000 0.269 57 P C 0.015 177.325 177.300 0.016 0.000 1.215 57 P CA -0.145 62.868 63.100 -0.145 0.000 0.780 57 P CB 0.125 31.823 31.700 -0.003 0.000 0.898 58 H N 0.264 119.465 119.070 0.219 0.000 2.690 58 H HA 0.311 4.867 4.556 0.001 0.000 0.365 58 H C 1.111 176.567 175.328 0.213 0.000 1.142 58 H CA -0.065 56.100 56.048 0.196 0.000 1.417 58 H CB -0.361 29.552 29.762 0.252 0.000 1.446 58 H HN 0.793 nan 8.280 nan 0.000 0.599 59 G N 1.614 110.516 108.800 0.170 0.000 2.136 59 G HA2 -0.257 3.704 3.960 0.001 0.000 0.242 59 G HA3 -0.257 3.704 3.960 0.001 0.000 0.242 59 G C 0.644 175.484 174.900 -0.100 0.000 0.989 59 G CA 0.441 45.608 45.100 0.112 0.000 0.682 59 G HN 0.608 nan 8.290 nan 0.000 0.522 60 M N -0.545 118.856 119.600 -0.331 0.000 2.461 60 M HA 0.365 4.846 4.480 0.001 0.000 0.255 60 M C 1.797 177.782 176.300 -0.525 0.000 1.137 60 M CA 1.211 56.138 55.300 -0.621 0.000 1.086 60 M CB 0.732 32.774 32.600 -0.931 0.000 1.356 60 M HN 1.185 nan 8.290 nan 0.000 0.487 61 G N 1.170 109.766 108.800 -0.339 0.000 2.145 61 G HA2 -0.176 3.784 3.960 0.001 0.000 0.145 61 G HA3 -0.176 3.784 3.960 0.001 0.000 0.145 61 G C 0.617 175.495 174.900 -0.036 0.000 1.017 61 G CA 0.042 45.067 45.100 -0.124 0.000 0.682 61 G HN 0.362 nan 8.290 nan 0.000 0.504 62 K N -0.185 120.128 120.400 -0.144 0.000 2.032 62 K HA -0.089 4.232 4.320 0.001 0.000 0.209 62 K C 2.585 179.259 176.600 0.123 0.000 1.048 62 K CA 1.984 58.308 56.287 0.062 0.000 0.927 62 K CB -0.343 32.181 32.500 0.040 0.000 0.712 62 K HN 0.331 nan 8.250 nan 0.000 0.441 63 T N 0.913 115.531 114.554 0.106 0.000 2.652 63 T HA -0.149 4.202 4.350 0.001 0.000 0.267 63 T C 2.005 176.739 174.700 0.057 0.000 1.039 63 T CA 2.002 64.176 62.100 0.123 0.000 1.153 63 T CB -0.552 68.402 68.868 0.144 0.000 0.863 63 T HN 0.304 nan 8.240 nan 0.000 0.428 64 T N 1.925 116.512 114.554 0.054 0.000 2.635 64 T HA -0.173 4.178 4.350 0.001 0.000 0.267 64 T C 2.262 176.965 174.700 0.005 0.000 1.040 64 T CA 1.909 64.027 62.100 0.031 0.000 1.156 64 T CB -0.996 67.898 68.868 0.042 0.000 0.863 64 T HN 0.385 nan 8.240 nan 0.000 0.430 65 T N 1.984 116.566 114.554 0.047 0.000 2.665 65 T HA -0.168 4.182 4.350 0.001 0.000 0.268 65 T C 2.491 177.152 174.700 -0.065 0.000 1.035 65 T CA 2.065 64.179 62.100 0.022 0.000 1.151 65 T CB -0.801 68.132 68.868 0.108 0.000 0.862 65 T HN 0.763 nan 8.240 nan 0.000 0.438 66 T N 0.707 115.195 114.554 -0.111 0.000 2.821 66 T HA -0.112 4.238 4.350 0.001 0.000 0.267 66 T C 1.921 176.351 174.700 -0.451 0.000 1.046 66 T CA 1.061 62.973 62.100 -0.313 0.000 1.139 66 T CB -0.440 68.164 68.868 -0.440 0.000 0.871 66 T HN 0.436 nan 8.240 nan 0.000 0.454 67 Q N 1.164 120.753 119.800 -0.352 0.000 1.985 67 Q HA -0.053 4.287 4.340 0.001 0.000 0.207 67 Q C 2.530 178.430 176.000 -0.166 0.000 0.996 67 Q CA 2.075 57.729 55.803 -0.248 0.000 0.851 67 Q CB -0.679 28.005 28.738 -0.090 0.000 0.921 67 Q HN 0.523 nan 8.270 nan 0.000 0.418 68 L N 0.213 121.371 121.223 -0.109 0.000 2.081 68 L HA -0.146 4.195 4.340 0.001 0.000 0.212 68 L C 1.450 178.265 176.870 -0.092 0.000 1.080 68 L CA 0.234 55.027 54.840 -0.078 0.000 0.754 68 L CB -0.778 41.249 42.059 -0.053 0.000 0.893 68 L HN 0.236 nan 8.230 nan 0.000 0.433 76 D N 0.565 120.951 120.400 -0.022 0.000 2.349 76 D HA -0.005 4.635 4.640 0.001 0.000 0.214 76 D C 0.241 176.523 176.300 -0.030 0.000 1.063 76 D CA 0.477 54.462 54.000 -0.025 0.000 0.847 76 D CB 0.163 40.951 40.800 -0.021 0.000 0.933 76 D HN 0.342 nan 8.370 nan 0.000 0.513 77 D N 0.670 121.051 120.400 -0.031 0.000 2.388 77 D HA 0.138 4.778 4.640 0.001 0.000 0.221 77 D C 0.221 176.495 176.300 -0.044 0.000 1.133 77 D CA -0.517 53.462 54.000 -0.035 0.000 0.831 77 D CB 0.156 40.938 40.800 -0.030 0.000 0.962 77 D HN 0.398 nan 8.370 nan 0.000 0.502 78 I N 0.205 120.746 120.570 -0.048 0.000 2.690 78 I HA 0.274 4.445 4.170 0.001 0.000 0.286 78 I C -1.892 174.192 176.117 -0.054 0.000 1.313 78 I CA -0.766 60.499 61.300 -0.057 0.000 1.070 78 I CB 1.497 39.463 38.000 -0.057 0.000 1.323 78 I HN -0.252 nan 8.210 nan 0.000 0.432 79 V N 6.880 126.749 119.914 -0.075 0.000 2.815 79 V HA 0.462 4.582 4.120 0.001 0.000 0.314 79 V C -1.178 174.884 176.094 -0.054 0.000 1.064 79 V CA -0.706 61.553 62.300 -0.068 0.000 0.952 79 V CB 2.023 33.781 31.823 -0.108 0.000 1.020 79 V HN 0.591 nan 8.190 nan 0.000 0.439 80 Y N 2.467 122.657 120.300 -0.183 0.000 2.328 80 Y HA 0.631 5.182 4.550 0.001 0.000 0.333 80 Y C -0.449 175.313 175.900 -0.230 0.000 0.958 80 Y CA -1.327 56.654 58.100 -0.199 0.000 1.167 80 Y CB 1.703 40.098 38.460 -0.110 0.000 1.151 80 Y HN 0.349 nan 8.280 nan 0.000 0.470 81 V N 10.013 129.556 119.914 -0.618 0.000 2.320 81 V HA 0.312 4.433 4.120 0.001 0.000 0.265 81 V C -2.013 173.554 176.094 -0.879 0.000 1.048 81 V CA -1.483 60.352 62.300 -0.775 0.000 0.865 81 V CB 0.245 31.517 31.823 -0.919 0.000 1.043 81 V HN 0.651 nan 8.190 nan 0.000 0.474 82 P HA 0.200 nan 4.420 nan 0.000 0.282 82 P C -0.215 177.008 177.300 -0.129 0.000 1.287 82 P CA -0.676 61.995 63.100 -0.715 0.000 0.792 82 P CB 0.933 32.310 31.700 -0.538 0.000 1.163 83 E N 1.281 121.460 120.200 -0.036 0.000 2.415 83 E HA 0.021 4.371 4.350 0.001 0.000 0.263 83 E C -1.625 174.856 176.600 -0.198 0.000 0.995 83 E CA -1.517 54.871 56.400 -0.021 0.000 0.915 83 E CB 0.020 29.742 29.700 0.037 0.000 0.951 83 E HN 0.224 nan 8.360 nan 0.000 0.449 84 P HA 0.013 nan 4.420 nan 0.000 0.218 84 P C 0.245 177.000 177.300 -0.907 0.000 1.793 84 P CA -0.090 62.650 63.100 -0.599 0.000 0.941 84 P CB 0.178 31.507 31.700 -0.618 0.000 1.919 85 M N 1.668 120.920 119.600 -0.579 0.000 2.080 85 M HA -0.132 4.349 4.480 0.001 0.000 0.260 85 M C 1.590 177.799 176.300 -0.152 0.000 1.068 85 M CA 2.249 57.367 55.300 -0.302 0.000 1.109 85 M CB -1.566 30.992 32.600 -0.070 0.000 1.342 85 M HN -0.054 nan 8.290 nan 0.000 0.405 86 T N -0.723 113.741 114.554 -0.150 0.000 2.803 86 T HA -0.201 4.149 4.350 0.001 0.000 0.269 86 T C 1.534 176.182 174.700 -0.087 0.000 1.052 86 T CA 1.737 63.781 62.100 -0.094 0.000 1.136 86 T CB -0.627 68.183 68.868 -0.098 0.000 0.864 86 T HN 0.566 nan 8.240 nan 0.000 0.467 87 Y N 0.196 120.339 120.300 -0.262 0.000 2.220 87 Y HA -0.100 4.451 4.550 0.001 0.000 0.291 87 Y C 1.969 177.861 175.900 -0.013 0.000 1.129 87 Y CA 1.068 59.049 58.100 -0.198 0.000 1.161 87 Y CB -0.156 38.117 38.460 -0.312 0.000 0.997 87 Y HN 0.200 nan 8.280 nan 0.000 0.522 88 W N 0.553 121.875 121.300 0.036 0.000 2.388 88 W HA -0.037 4.623 4.660 0.001 0.000 0.294 88 W C 2.211 178.683 176.519 -0.078 0.000 1.212 88 W CA 1.070 58.405 57.345 -0.017 0.000 1.271 88 W CB -0.837 28.634 29.460 0.019 0.000 1.126 88 W HN 0.140 nan 8.180 nan 0.000 0.535 89 R N -0.991 119.593 120.500 0.140 0.000 2.189 89 R HA 0.069 4.410 4.340 0.001 0.000 0.203 89 R C 1.647 177.934 176.300 -0.022 0.000 1.012 89 R CA 0.977 57.111 56.100 0.056 0.000 1.015 89 R CB -0.001 30.331 30.300 0.054 0.000 0.938 89 R HN 0.047 nan 8.270 nan 0.000 0.472 90 V N -0.263 119.605 119.914 -0.076 0.000 3.279 90 V HA 0.005 4.126 4.120 0.001 0.000 0.213 90 V C 1.923 177.910 176.094 -0.178 0.000 1.335 90 V CA 0.075 62.314 62.300 -0.102 0.000 1.317 90 V CB -0.380 31.399 31.823 -0.074 0.000 1.209 90 V HN 0.029 nan 8.190 nan 0.000 0.525 91 L N 1.402 122.478 121.223 -0.244 0.000 1.955 91 L HA -0.079 4.261 4.340 0.001 0.000 0.213 91 L C 2.613 179.173 176.870 -0.516 0.000 1.072 91 L CA 2.418 57.071 54.840 -0.311 0.000 0.755 91 L CB -1.247 40.686 42.059 -0.210 0.000 0.888 91 L HN 0.526 nan 8.230 nan 0.000 0.432 92 G N -1.098 107.020 108.800 -1.137 0.000 2.421 92 G HA2 0.278 4.238 3.960 0.001 0.000 0.217 92 G HA3 0.278 4.238 3.960 0.001 0.000 0.217 92 G C 0.430 175.116 174.900 -0.357 0.000 1.143 92 G CA 0.757 45.279 45.100 -0.963 0.000 0.784 92 G HN 0.562 nan 8.290 nan 0.000 0.541 93 A N -1.494 121.160 122.820 -0.277 0.000 2.515 93 A HA 0.626 4.946 4.320 0.001 0.000 0.292 93 A C -0.649 176.882 177.584 -0.088 0.000 1.065 93 A CA 0.073 52.035 52.037 -0.125 0.000 0.641 93 A CB 0.218 19.176 19.000 -0.070 0.000 1.306 93 A HN 0.565 nan 8.150 nan 0.000 0.441 94 S N 1.177 116.848 115.700 -0.050 0.000 2.465 94 S HA 0.445 4.915 4.470 0.001 0.000 0.279 94 S C -0.204 174.390 174.600 -0.010 0.000 1.201 94 S CA 0.047 58.229 58.200 -0.030 0.000 1.053 94 S CB -0.275 62.911 63.200 -0.023 0.000 0.953 94 S HN 0.700 nan 8.310 nan 0.000 0.488 95 E N 3.444 123.647 120.200 0.004 0.000 2.359 95 E HA -0.157 4.193 4.350 0.001 0.000 0.157 95 E C 0.719 177.334 176.600 0.025 0.000 1.718 95 E CA 0.857 57.272 56.400 0.025 0.000 0.620 95 E CB -1.942 27.769 29.700 0.018 0.000 1.057 95 E HN 0.771 nan 8.360 nan 0.000 0.322 96 T N 0.464 115.038 114.554 0.033 0.000 2.857 96 T HA -0.029 4.322 4.350 0.001 0.000 0.266 96 T C 2.054 176.738 174.700 -0.025 0.000 1.048 96 T CA 1.042 63.138 62.100 -0.007 0.000 1.139 96 T CB 0.066 68.918 68.868 -0.027 0.000 0.874 96 T HN 0.370 nan 8.240 nan 0.000 0.455 97 I N 1.496 122.068 120.570 0.004 0.000 2.286 97 I HA -0.191 3.980 4.170 0.001 0.000 0.248 97 I C 2.912 179.114 176.117 0.141 0.000 1.115 97 I CA 1.043 62.368 61.300 0.042 0.000 1.392 97 I CB -0.463 37.572 38.000 0.059 0.000 1.065 97 I HN 0.201 nan 8.210 nan 0.000 0.418 98 A N 0.931 123.802 122.820 0.085 0.000 1.877 98 A HA -0.277 4.043 4.320 0.001 0.000 0.216 98 A C 2.099 179.734 177.584 0.084 0.000 1.186 98 A CA 2.302 54.389 52.037 0.083 0.000 0.620 98 A CB -0.840 18.182 19.000 0.038 0.000 0.822 98 A HN 0.445 nan 8.150 nan 0.000 0.443 99 N N 0.199 118.924 118.700 0.043 0.000 2.149 99 N HA -0.128 4.613 4.740 0.001 0.000 0.188 99 N C 1.478 176.994 175.510 0.009 0.000 1.019 99 N CA 1.789 54.853 53.050 0.023 0.000 0.857 99 N CB -0.421 38.068 38.487 0.004 0.000 0.997 99 N HN 0.561 nan 8.380 nan 0.000 0.426 100 I N -0.641 119.917 120.570 -0.020 0.000 2.090 100 I HA -0.330 3.841 4.170 0.001 0.000 0.236 100 I C 1.615 177.651 176.117 -0.136 0.000 1.064 100 I CA 1.310 62.538 61.300 -0.120 0.000 1.324 100 I CB -0.499 37.365 38.000 -0.226 0.000 1.044 100 I HN 0.152 nan 8.210 nan 0.000 0.399 101 Y N 0.828 121.114 120.300 -0.023 0.000 2.207 101 Y HA -0.251 4.299 4.550 0.001 0.000 0.287 101 Y C 2.877 178.798 175.900 0.035 0.000 1.156 101 Y CA 1.809 59.912 58.100 0.004 0.000 1.182 101 Y CB -1.020 37.432 38.460 -0.013 0.000 0.979 101 Y HN 0.153 nan 8.280 nan 0.000 0.521 102 T N -1.074 113.571 114.554 0.151 0.000 2.746 102 T HA -0.169 4.182 4.350 0.001 0.000 0.267 102 T C 1.887 176.659 174.700 0.121 0.000 1.039 102 T CA 1.985 64.158 62.100 0.121 0.000 1.142 102 T CB -0.525 68.387 68.868 0.073 0.000 0.866 102 T HN 0.371 nan 8.240 nan 0.000 0.444 103 T N 1.589 116.180 114.554 0.062 0.000 2.821 103 T HA -0.118 4.233 4.350 0.001 0.000 0.267 103 T C 2.071 176.787 174.700 0.026 0.000 1.046 103 T CA 1.206 63.326 62.100 0.034 0.000 1.139 103 T CB -0.250 68.620 68.868 0.004 0.000 0.871 103 T HN 0.260 nan 8.240 nan 0.000 0.454 104 Q N 0.680 120.491 119.800 0.017 0.000 2.079 104 Q HA -0.133 4.208 4.340 0.001 0.000 0.200 104 Q C 2.071 178.102 176.000 0.050 0.000 0.974 104 Q CA 1.495 57.301 55.803 0.005 0.000 0.840 104 Q CB -0.485 28.232 28.738 -0.036 0.000 0.898 104 Q HN 0.691 nan 8.270 nan 0.000 0.430 105 H N 0.082 119.165 119.070 0.022 0.000 2.353 105 H HA -0.044 4.512 4.556 0.001 0.000 0.300 105 H C 1.734 177.071 175.328 0.015 0.000 1.090 105 H CA 1.560 57.626 56.048 0.030 0.000 1.327 105 H CB 0.299 30.092 29.762 0.051 0.000 1.383 105 H HN 0.201 nan 8.280 nan 0.000 0.508 106 R N 0.164 120.683 120.500 0.033 0.000 2.073 106 R HA -0.133 4.208 4.340 0.001 0.000 0.234 106 R C 2.595 178.852 176.300 -0.071 0.000 1.134 106 R CA 1.092 57.178 56.100 -0.023 0.000 0.952 106 R CB -0.734 29.590 30.300 0.040 0.000 0.850 106 R HN 0.275 nan 8.270 nan 0.000 0.433 107 L N 2.046 123.242 121.223 -0.046 0.000 1.989 107 L HA -0.202 4.139 4.340 0.001 0.000 0.211 107 L C 1.511 178.336 176.870 -0.076 0.000 1.071 107 L CA 2.002 56.813 54.840 -0.049 0.000 0.749 107 L CB -0.677 41.361 42.059 -0.036 0.000 0.890 107 L HN 0.058 nan 8.230 nan 0.000 0.431 108 D N -0.738 119.602 120.400 -0.100 0.000 2.133 108 D HA -0.202 4.438 4.640 0.001 0.000 0.195 108 D C 2.142 178.358 176.300 -0.139 0.000 0.997 108 D CA 1.206 55.137 54.000 -0.115 0.000 0.840 108 D CB -0.169 40.556 40.800 -0.125 0.000 0.947 108 D HN 0.483 nan 8.370 nan 0.000 0.452 109 Q N -0.612 119.067 119.800 -0.202 0.000 2.369 109 Q HA 0.063 4.404 4.340 0.001 0.000 0.206 109 Q C 1.417 177.363 176.000 -0.091 0.000 0.963 109 Q CA 0.960 56.663 55.803 -0.166 0.000 0.894 109 Q CB 0.237 28.845 28.738 -0.218 0.000 0.965 109 Q HN 0.419 nan 8.270 nan 0.000 0.475 110 G N 1.059 109.814 108.800 -0.076 0.000 2.132 110 G HA2 -0.286 3.675 3.960 0.001 0.000 0.228 110 G HA3 -0.286 3.675 3.960 0.001 0.000 0.228 110 G C 0.596 175.475 174.900 -0.035 0.000 1.000 110 G CA 0.524 45.595 45.100 -0.048 0.000 0.693 110 G HN 0.432 nan 8.290 nan 0.000 0.515 111 E N -0.584 119.594 120.200 -0.037 0.000 2.299 111 E HA 0.220 4.571 4.350 0.001 0.000 0.193 111 E C 1.550 178.144 176.600 -0.011 0.000 0.998 111 E CA 1.102 57.490 56.400 -0.019 0.000 0.851 111 E CB 0.219 29.912 29.700 -0.012 0.000 0.795 111 E HN 0.897 nan 8.360 nan 0.000 0.492 112 I N -2.677 117.885 120.570 -0.014 0.000 3.145 112 I HA 0.417 4.588 4.170 0.001 0.000 0.313 112 I C -0.029 176.081 176.117 -0.011 0.000 1.122 112 I CA -1.290 60.006 61.300 -0.007 0.000 0.987 112 I CB 2.003 40.002 38.000 -0.001 0.000 1.236 112 I HN -0.231 nan 8.210 nan 0.000 0.453 113 S N 1.819 117.516 115.700 -0.006 0.000 2.669 113 S HA 0.632 5.102 4.470 0.001 0.000 0.270 113 S C 1.082 175.678 174.600 -0.006 0.000 1.225 113 S CA -0.113 58.083 58.200 -0.007 0.000 0.991 113 S CB 1.578 64.777 63.200 -0.002 0.000 0.987 113 S HN 0.997 nan 8.310 nan 0.000 0.552 114 A N 1.093 123.909 122.820 -0.007 0.000 1.933 114 A HA 0.152 4.473 4.320 0.001 0.000 0.218 114 A C 2.128 179.716 177.584 0.006 0.000 1.175 114 A CA 1.663 53.697 52.037 -0.006 0.000 0.628 114 A CB -1.787 17.208 19.000 -0.009 0.000 0.814 114 A HN 1.119 nan 8.150 nan 0.000 0.444 115 G N -0.052 108.753 108.800 0.009 0.000 2.421 115 G HA2 -0.226 3.734 3.960 0.001 0.000 0.216 115 G HA3 -0.226 3.734 3.960 0.001 0.000 0.216 115 G C 1.148 176.057 174.900 0.015 0.000 1.171 115 G CA 1.138 46.247 45.100 0.015 0.000 0.775 115 G HN 0.475 nan 8.290 nan 0.000 0.543 116 D N 1.247 121.653 120.400 0.010 0.000 2.104 116 D HA -0.089 4.551 4.640 0.001 0.000 0.194 116 D C 2.846 179.153 176.300 0.012 0.000 0.994 116 D CA 1.328 55.334 54.000 0.011 0.000 0.830 116 D CB -0.509 40.296 40.800 0.007 0.000 0.959 116 D HN 0.309 nan 8.370 nan 0.000 0.452 117 A N 1.331 124.156 122.820 0.008 0.000 1.908 117 A HA -0.084 4.237 4.320 0.001 0.000 0.218 117 A C 2.369 179.963 177.584 0.016 0.000 1.181 117 A CA 2.412 54.452 52.037 0.006 0.000 0.627 117 A CB -0.753 18.245 19.000 -0.003 0.000 0.818 117 A HN 0.252 nan 8.150 nan 0.000 0.445 118 A N -0.618 122.217 122.820 0.026 0.000 1.933 118 A HA 0.014 4.335 4.320 0.001 0.000 0.218 118 A C 2.239 179.854 177.584 0.052 0.000 1.175 118 A CA 1.777 53.841 52.037 0.045 0.000 0.628 118 A CB -0.916 18.115 19.000 0.052 0.000 0.814 118 A HN 0.383 nan 8.150 nan 0.000 0.444 119 V N -0.377 119.560 119.914 0.039 0.000 2.261 119 V HA -0.252 3.869 4.120 0.001 0.000 0.246 119 V C 2.583 178.703 176.094 0.043 0.000 1.047 119 V CA 2.091 64.415 62.300 0.040 0.000 1.015 119 V CB -0.936 30.904 31.823 0.028 0.000 0.642 119 V HN 0.372 nan 8.190 nan 0.000 0.446 120 V N -0.889 119.043 119.914 0.029 0.000 2.287 120 V HA -0.346 3.774 4.120 0.001 0.000 0.248 120 V C 2.442 178.549 176.094 0.021 0.000 1.053 120 V CA 2.421 64.734 62.300 0.021 0.000 1.027 120 V CB -0.663 31.166 31.823 0.011 0.000 0.646 120 V HN 0.437 nan 8.190 nan 0.000 0.447 121 M N -0.047 119.566 119.600 0.022 0.000 2.117 121 M HA -0.130 4.351 4.480 0.001 0.000 0.262 121 M C 2.191 178.527 176.300 0.060 0.000 1.065 121 M CA 2.008 57.317 55.300 0.016 0.000 1.114 121 M CB -1.254 31.357 32.600 0.017 0.000 1.361 121 M HN 0.398 nan 8.290 nan 0.000 0.408 122 T N -1.003 113.621 114.554 0.117 0.000 2.737 122 T HA -0.121 4.229 4.350 0.001 0.000 0.265 122 T C 2.061 176.889 174.700 0.214 0.000 1.038 122 T CA 1.790 64.029 62.100 0.232 0.000 1.144 122 T CB -0.442 68.543 68.868 0.195 0.000 0.866 122 T HN 0.422 nan 8.240 nan 0.000 0.434 123 S N 0.847 116.620 115.700 0.120 0.000 2.356 123 S HA -0.088 4.382 4.470 0.001 0.000 0.223 123 S C 2.395 177.038 174.600 0.071 0.000 1.032 123 S CA 1.341 59.598 58.200 0.094 0.000 1.005 123 S CB -0.546 62.688 63.200 0.058 0.000 0.867 123 S HN 0.522 nan 8.310 nan 0.000 0.449 124 A N 1.240 124.077 122.820 0.029 0.000 1.933 124 A HA -0.104 4.216 4.320 0.001 0.000 0.218 124 A C 1.901 179.452 177.584 -0.054 0.000 1.175 124 A CA 1.961 53.985 52.037 -0.021 0.000 0.628 124 A CB -1.115 17.850 19.000 -0.059 0.000 0.814 124 A HN 0.686 nan 8.150 nan 0.000 0.444 125 N N -0.278 118.386 118.700 -0.060 0.000 2.364 125 N HA -0.109 4.631 4.740 0.001 0.000 0.183 125 N C 1.418 176.860 175.510 -0.112 0.000 1.022 125 N CA 1.113 54.057 53.050 -0.176 0.000 0.883 125 N CB -0.165 38.117 38.487 -0.342 0.000 0.965 125 N HN 0.385 nan 8.380 nan 0.000 0.438 126 I N 0.201 120.807 120.570 0.060 0.000 2.202 126 I HA -0.196 3.974 4.170 0.001 0.000 0.242 126 I C 1.766 177.952 176.117 0.114 0.000 1.091 126 I CA 1.231 62.615 61.300 0.140 0.000 1.368 126 I CB -1.414 36.695 38.000 0.182 0.000 1.058 126 I HN 0.242 nan 8.210 nan 0.000 0.410 127 T N 1.135 115.756 114.554 0.113 0.000 2.708 127 T HA -0.151 4.199 4.350 0.001 0.000 0.266 127 T C 1.986 176.832 174.700 0.244 0.000 1.037 127 T CA 1.177 63.407 62.100 0.217 0.000 1.146 127 T CB -0.110 68.840 68.868 0.136 0.000 0.865 127 T HN 0.121 nan 8.240 nan 0.000 0.435 128 M N 1.118 120.708 119.600 -0.018 0.000 2.108 128 M HA 0.014 4.494 4.480 0.001 0.000 0.261 128 M C 2.677 178.986 176.300 0.014 0.000 1.066 128 M CA 1.527 56.700 55.300 -0.211 0.000 1.107 128 M CB -1.604 30.697 32.600 -0.499 0.000 1.356 128 M HN 0.408 nan 8.290 nan 0.000 0.406 129 G N -0.970 107.820 108.800 -0.018 0.000 2.777 129 G HA2 -0.061 3.899 3.960 0.001 0.000 0.211 129 G HA3 -0.061 3.899 3.960 0.001 0.000 0.211 129 G C 1.531 176.394 174.900 -0.062 0.000 1.149 129 G CA -0.011 45.088 45.100 -0.001 0.000 0.785 129 G HN 0.201 nan 8.290 nan 0.000 0.536 130 M N 1.611 121.178 119.600 -0.055 0.000 2.151 130 M HA -0.085 4.396 4.480 0.001 0.000 0.256 130 M C -0.464 175.694 176.300 -0.238 0.000 1.072 130 M CA 1.734 56.962 55.300 -0.119 0.000 1.090 130 M CB -1.390 31.143 32.600 -0.112 0.000 1.294 130 M HN 0.062 nan 8.290 nan 0.000 0.415 131 P HA -0.137 nan 4.420 nan 0.000 0.217 131 P C 1.105 178.450 177.300 0.075 0.000 1.150 131 P CA 1.424 64.355 63.100 -0.282 0.000 0.832 131 P CB -0.426 31.024 31.700 -0.417 0.000 0.787 132 Y N 0.011 120.395 120.300 0.140 0.000 2.200 132 Y HA -0.007 4.543 4.550 0.001 0.000 0.290 132 Y C 2.628 178.551 175.900 0.039 0.000 1.137 132 Y CA 0.474 58.635 58.100 0.101 0.000 1.163 132 Y CB -1.926 36.577 38.460 0.071 0.000 0.988 132 Y HN -0.096 nan 8.280 nan 0.000 0.518 133 A N -0.324 122.594 122.820 0.162 0.000 1.898 133 A HA -0.118 4.202 4.320 0.001 0.000 0.216 133 A C 2.522 180.151 177.584 0.076 0.000 1.181 133 A CA 1.702 53.795 52.037 0.095 0.000 0.620 133 A CB -1.277 17.773 19.000 0.083 0.000 0.819 133 A HN 0.277 nan 8.150 nan 0.000 0.442 134 V N -0.202 119.747 119.914 0.059 0.000 2.343 134 V HA -0.208 3.912 4.120 0.001 0.000 0.247 134 V C 2.657 178.812 176.094 0.103 0.000 1.051 134 V CA 2.854 65.188 62.300 0.056 0.000 1.036 134 V CB -0.779 31.048 31.823 0.007 0.000 0.654 134 V HN 0.644 nan 8.190 nan 0.000 0.451 135 T N -0.533 114.118 114.554 0.161 0.000 2.746 135 T HA -0.208 4.143 4.350 0.001 0.000 0.267 135 T C 1.790 176.584 174.700 0.157 0.000 1.039 135 T CA 1.674 63.893 62.100 0.199 0.000 1.142 135 T CB -0.423 68.601 68.868 0.260 0.000 0.866 135 T HN 0.665 nan 8.240 nan 0.000 0.444 136 D N 1.068 121.535 120.400 0.112 0.000 2.117 136 D HA -0.097 4.543 4.640 0.001 0.000 0.197 136 D C 2.315 178.662 176.300 0.078 0.000 0.987 136 D CA 1.227 55.265 54.000 0.063 0.000 0.829 136 D CB -0.038 40.749 40.800 -0.021 0.000 0.961 136 D HN 0.380 nan 8.370 nan 0.000 0.460 137 A N 0.700 123.564 122.820 0.074 0.000 1.972 137 A HA -0.122 4.199 4.320 0.001 0.000 0.219 137 A C 2.460 180.095 177.584 0.084 0.000 1.169 137 A CA 1.936 54.014 52.037 0.068 0.000 0.635 137 A CB -0.618 18.416 19.000 0.058 0.000 0.810 137 A HN 0.321 nan 8.150 nan 0.000 0.446 138 V N -3.362 116.616 119.914 0.106 0.000 3.052 138 V HA 0.096 4.217 4.120 0.001 0.000 0.254 138 V C 2.002 178.210 176.094 0.190 0.000 1.100 138 V CA 1.388 63.765 62.300 0.128 0.000 1.112 138 V CB -0.235 31.660 31.823 0.119 0.000 0.738 138 V HN 0.270 nan 8.190 nan 0.000 0.469 139 L N 1.234 122.569 121.223 0.186 0.000 2.249 139 L HA 0.458 4.798 4.340 0.001 0.000 0.207 139 L C 2.620 179.630 176.870 0.234 0.000 1.090 139 L CA 1.823 56.802 54.840 0.232 0.000 0.802 139 L CB -0.800 41.385 42.059 0.210 0.000 0.947 139 L HN 0.271 nan 8.230 nan 0.000 0.453 140 A N 0.810 123.724 122.820 0.157 0.000 1.869 140 A HA -0.208 4.112 4.320 0.001 0.000 0.218 140 A C 0.101 177.743 177.584 0.097 0.000 1.203 140 A CA 2.396 54.503 52.037 0.117 0.000 0.638 140 A CB -2.252 16.794 19.000 0.077 0.000 0.831 140 A HN 0.411 nan 8.150 nan 0.000 0.450 141 P HA -0.203 nan 4.420 nan 0.000 0.218 141 P C 0.978 178.221 177.300 -0.095 0.000 1.152 141 P CA 1.698 64.766 63.100 -0.052 0.000 0.857 141 P CB -0.349 31.267 31.700 -0.140 0.000 0.787 142 H N -1.991 117.116 119.070 0.060 0.000 2.547 142 H HA 0.048 4.605 4.556 0.001 0.000 0.272 142 H C 0.754 176.127 175.328 0.074 0.000 0.989 142 H CA 0.315 56.401 56.048 0.063 0.000 1.214 142 H CB -0.007 29.793 29.762 0.063 0.000 1.389 142 H HN 0.126 nan 8.280 nan 0.000 0.577 143 I N 1.815 122.491 120.570 0.177 0.000 2.416 143 I HA 0.119 4.290 4.170 0.001 0.000 0.288 143 I C 1.317 177.506 176.117 0.121 0.000 1.051 143 I CA 0.120 61.510 61.300 0.150 0.000 1.375 143 I CB 0.867 38.954 38.000 0.145 0.000 1.407 143 I HN 0.049 nan 8.210 nan 0.000 0.516 144 G N 4.469 113.349 108.800 0.134 0.000 2.736 144 G HA2 0.628 4.589 3.960 0.001 0.000 0.229 144 G HA3 0.628 4.589 3.960 0.001 0.000 0.229 144 G C 0.203 175.184 174.900 0.135 0.000 1.380 144 G CA -0.393 44.783 45.100 0.127 0.000 1.040 144 G HN 0.697 nan 8.290 nan 0.000 0.568 145 G N -1.315 107.573 108.800 0.146 0.000 2.563 145 G HA2 0.467 4.427 3.960 0.001 0.000 0.283 145 G HA3 0.467 4.427 3.960 0.001 0.000 0.283 145 G C -0.201 174.806 174.900 0.179 0.000 1.309 145 G CA -0.449 44.737 45.100 0.143 0.000 1.022 145 G HN 0.563 nan 8.290 nan 0.000 0.501 146 E N -0.905 119.380 120.200 0.143 0.000 2.404 146 E HA 0.335 4.686 4.350 0.001 0.000 0.261 146 E C 0.998 177.666 176.600 0.114 0.000 1.074 146 E CA 0.097 56.560 56.400 0.105 0.000 0.917 146 E CB 1.378 31.130 29.700 0.088 0.000 0.965 146 E HN 0.417 nan 8.360 nan 0.000 0.433 147 A N 2.452 125.259 122.820 -0.023 0.000 1.884 147 A HA 0.427 4.747 4.320 0.001 0.000 0.212 147 A C 0.812 178.400 177.584 0.006 0.000 1.265 147 A CA 1.103 53.080 52.037 -0.100 0.000 0.626 147 A CB 0.163 18.965 19.000 -0.330 0.000 0.943 147 A HN 0.655 nan 8.150 nan 0.000 0.466 148 G N -2.082 106.708 108.800 -0.016 0.000 2.451 148 G HA2 0.449 4.410 3.960 0.001 0.000 0.292 148 G HA3 0.449 4.410 3.960 0.001 0.000 0.292 148 G C -0.342 174.550 174.900 -0.014 0.000 1.427 148 G CA 0.123 45.223 45.100 0.000 0.000 0.792 148 G HN 0.454 nan 8.290 nan 0.000 0.498 154 P HA 0.154 nan 4.420 nan 0.000 0.266 154 P C -2.301 174.980 177.300 -0.032 0.000 1.180 154 P CA -0.149 62.932 63.100 -0.030 0.000 0.765 154 P CB -0.518 31.166 31.700 -0.026 0.000 0.806 155 P HA 0.139 nan 4.420 nan 0.000 0.285 155 P C 0.170 177.452 177.300 -0.031 0.000 1.259 155 P CA -0.323 62.753 63.100 -0.040 0.000 0.794 155 P CB 1.272 32.945 31.700 -0.044 0.000 0.940 156 A N 3.579 126.385 122.820 -0.023 0.000 1.986 156 A HA -0.078 4.242 4.320 0.001 0.000 0.220 156 A C 0.913 178.484 177.584 -0.022 0.000 1.171 156 A CA 1.521 53.549 52.037 -0.016 0.000 0.640 156 A CB -0.699 18.299 19.000 -0.003 0.000 0.811 156 A HN 0.586 nan 8.150 nan 0.000 0.451 157 L N -2.498 118.709 121.223 -0.027 0.000 2.445 157 L HA 0.602 4.942 4.340 0.001 0.000 0.262 157 L C -1.232 175.612 176.870 -0.044 0.000 0.974 157 L CA 0.024 54.842 54.840 -0.037 0.000 0.822 157 L CB 2.365 44.400 42.059 -0.039 0.000 1.339 157 L HN -0.091 nan 8.230 nan 0.000 0.409 158 T N 5.318 119.837 114.554 -0.058 0.000 2.864 158 T HA 0.512 4.862 4.350 0.001 0.000 0.299 158 T C -0.647 173.994 174.700 -0.099 0.000 1.011 158 T CA -0.198 61.863 62.100 -0.064 0.000 0.975 158 T CB 0.731 69.562 68.868 -0.062 0.000 0.962 158 T HN 0.474 nan 8.240 nan 0.000 0.448 159 L N 4.870 126.021 121.223 -0.120 0.000 2.255 159 L HA 0.528 4.868 4.340 0.001 0.000 0.289 159 L C -0.345 176.363 176.870 -0.271 0.000 1.046 159 L CA -0.669 54.012 54.840 -0.265 0.000 0.816 159 L CB 0.620 42.465 42.059 -0.357 0.000 1.197 159 L HN 0.505 nan 8.230 nan 0.000 0.427 160 I N 4.119 124.541 120.570 -0.246 0.000 2.321 160 I HA 0.291 4.461 4.170 0.001 0.000 0.291 160 I C -0.536 175.518 176.117 -0.105 0.000 0.998 160 I CA -0.291 60.965 61.300 -0.075 0.000 1.227 160 I CB 1.055 39.066 38.000 0.017 0.000 1.368 160 I HN 0.341 nan 8.210 nan 0.000 0.466 161 F N 3.531 123.429 119.950 -0.086 0.000 2.458 161 F HA 0.284 4.812 4.527 0.001 0.000 0.330 161 F C 0.713 176.569 175.800 0.093 0.000 1.082 161 F CA -0.870 57.080 58.000 -0.084 0.000 0.995 161 F CB 1.031 39.922 39.000 -0.183 0.000 1.170 161 F HN 0.352 nan 8.300 nan 0.000 0.478 162 D N 3.890 124.454 120.400 0.273 0.000 2.479 162 D HA 0.346 4.987 4.640 0.001 0.000 0.218 162 D C -0.157 176.273 176.300 0.217 0.000 1.131 162 D CA 0.175 54.343 54.000 0.279 0.000 0.916 162 D CB -0.026 40.919 40.800 0.243 0.000 1.022 162 D HN 0.599 nan 8.370 nan 0.000 0.515 163 R N 1.030 121.650 120.500 0.199 0.000 3.528 163 R HA -0.158 4.182 4.340 0.001 0.000 0.389 163 R C -0.696 175.594 176.300 -0.016 0.000 0.757 163 R CA -0.151 55.980 56.100 0.052 0.000 1.197 163 R CB -0.549 29.680 30.300 -0.118 0.000 2.101 163 R HN 0.613 nan 8.270 nan 0.000 0.473 164 H N 2.138 121.089 119.070 -0.198 0.000 2.621 164 H HA 0.290 4.846 4.556 0.001 0.000 0.360 164 H C -1.993 173.128 175.328 -0.346 0.000 1.163 164 H CA -2.150 53.710 56.048 -0.314 0.000 1.194 164 H CB 2.209 31.738 29.762 -0.387 0.000 1.649 164 H HN 0.200 nan 8.280 nan 0.000 0.532 165 P HA -0.201 nan 4.420 nan 0.000 0.218 165 P C 1.637 178.982 177.300 0.076 0.000 1.152 165 P CA 2.192 65.197 63.100 -0.160 0.000 0.857 165 P CB -0.177 31.349 31.700 -0.289 0.000 0.787 166 I N -4.653 116.083 120.570 0.278 0.000 3.010 166 I HA -0.088 4.083 4.170 0.001 0.000 0.271 166 I C 1.808 178.005 176.117 0.133 0.000 1.293 166 I CA 1.236 62.642 61.300 0.176 0.000 1.452 166 I CB -0.787 37.270 38.000 0.095 0.000 1.082 166 I HN -0.177 nan 8.210 nan 0.000 0.484 167 A N 1.545 124.470 122.820 0.175 0.000 1.897 167 A HA 0.204 4.525 4.320 0.001 0.000 0.215 167 A C 2.497 180.269 177.584 0.312 0.000 1.181 167 A CA 1.455 53.673 52.037 0.302 0.000 0.620 167 A CB -0.618 18.578 19.000 0.328 0.000 0.821 167 A HN 0.570 nan 8.150 nan 0.000 0.443 168 A N -1.082 121.881 122.820 0.237 0.000 2.095 168 A HA 0.378 4.699 4.320 0.001 0.000 0.212 168 A C 1.804 179.356 177.584 -0.054 0.000 1.162 168 A CA 0.532 52.639 52.037 0.118 0.000 0.753 168 A CB -0.210 18.904 19.000 0.190 0.000 0.840 168 A HN 0.385 nan 8.150 nan 0.000 0.468 169 L N -1.125 120.125 121.223 0.045 0.000 2.592 169 L HA 0.209 4.549 4.340 0.001 0.000 0.227 169 L C 1.618 178.543 176.870 0.090 0.000 1.127 169 L CA 0.275 55.153 54.840 0.062 0.000 0.884 169 L CB 0.481 42.621 42.059 0.135 0.000 1.065 169 L HN 0.504 nan 8.230 nan 0.000 0.457 170 L N -2.983 118.269 121.223 0.049 0.000 2.376 170 L HA 0.099 4.440 4.340 0.001 0.000 0.153 170 L C 1.995 178.852 176.870 -0.022 0.000 1.272 170 L CA 0.805 55.664 54.840 0.031 0.000 1.005 170 L CB -0.393 41.661 42.059 -0.008 0.000 2.027 170 L HN -0.063 nan 8.230 nan 0.000 0.495 171 C N 0.277 119.518 119.300 -0.098 0.000 2.413 171 C HA -0.153 4.308 4.460 0.001 0.000 0.278 171 C C 2.488 177.372 174.990 -0.177 0.000 1.224 171 C CA 1.431 60.295 59.018 -0.258 0.000 1.732 171 C CB -1.382 26.024 27.740 -0.556 0.000 2.050 171 C HN 0.655 nan 8.230 nan 0.000 0.463 172 Y N 1.514 121.799 120.300 -0.025 0.000 2.145 172 Y HA -0.082 4.469 4.550 0.001 0.000 0.286 172 Y C 0.147 176.021 175.900 -0.042 0.000 1.145 172 Y CA 2.007 60.097 58.100 -0.017 0.000 1.148 172 Y CB -2.067 36.376 38.460 -0.030 0.000 0.981 172 Y HN 0.290 nan 8.280 nan 0.000 0.507 173 P HA -0.241 nan 4.420 nan 0.000 0.215 173 P C 1.460 178.814 177.300 0.091 0.000 1.157 173 P CA 2.453 65.589 63.100 0.059 0.000 0.874 173 P CB -0.206 31.534 31.700 0.067 0.000 0.790 174 A N 0.020 122.872 122.820 0.052 0.000 1.883 174 A HA -0.187 4.133 4.320 0.001 0.000 0.217 174 A C 2.370 179.976 177.584 0.037 0.000 1.186 174 A CA 2.498 54.561 52.037 0.042 0.000 0.624 174 A CB -1.688 17.289 19.000 -0.037 0.000 0.822 174 A HN 0.207 nan 8.150 nan 0.000 0.444 175 A N -0.590 122.200 122.820 -0.050 0.000 1.883 175 A HA -0.178 4.143 4.320 0.001 0.000 0.217 175 A C 2.189 179.754 177.584 -0.032 0.000 1.186 175 A CA 1.592 53.585 52.037 -0.073 0.000 0.624 175 A CB -0.476 18.432 19.000 -0.153 0.000 0.822 175 A HN 0.400 nan 8.150 nan 0.000 0.444 176 R N -1.551 118.952 120.500 0.005 0.000 2.120 176 R HA -0.146 4.195 4.340 0.001 0.000 0.234 176 R C 1.981 178.293 176.300 0.021 0.000 1.123 176 R CA 1.582 57.686 56.100 0.006 0.000 0.975 176 R CB -1.099 29.213 30.300 0.020 0.000 0.866 176 R HN 0.809 nan 8.270 nan 0.000 0.446 177 Y N 1.470 121.745 120.300 -0.041 0.000 2.145 177 Y HA -0.130 4.420 4.550 0.001 0.000 0.286 177 Y C 1.995 177.851 175.900 -0.074 0.000 1.145 177 Y CA 1.407 59.477 58.100 -0.051 0.000 1.148 177 Y CB -0.486 37.938 38.460 -0.060 0.000 0.981 177 Y HN -0.092 nan 8.280 nan 0.000 0.507 178 L N -0.110 120.933 121.223 -0.300 0.000 2.265 178 L HA -0.200 4.141 4.340 0.001 0.000 0.215 178 L C 1.988 178.697 176.870 -0.268 0.000 1.117 178 L CA 0.704 55.322 54.840 -0.371 0.000 0.782 178 L CB -0.459 41.487 42.059 -0.188 0.000 0.914 178 L HN 0.350 nan 8.230 nan 0.000 0.441 179 M N -0.822 118.670 119.600 -0.181 0.000 2.556 179 M HA 0.153 4.633 4.480 0.001 0.000 0.245 179 M C 1.637 177.859 176.300 -0.130 0.000 1.128 179 M CA 0.899 56.124 55.300 -0.126 0.000 1.069 179 M CB -0.536 32.017 32.600 -0.078 0.000 1.469 179 M HN 0.395 nan 8.290 nan 0.000 0.494 180 G N 0.601 109.295 108.800 -0.176 0.000 2.159 180 G HA2 -0.241 3.719 3.960 0.001 0.000 0.256 180 G HA3 -0.241 3.719 3.960 0.001 0.000 0.256 180 G C 0.704 175.565 174.900 -0.064 0.000 0.977 180 G CA 0.689 45.707 45.100 -0.137 0.000 0.652 180 G HN 0.553 nan 8.290 nan 0.000 0.531 181 S N -1.305 114.370 115.700 -0.043 0.000 2.582 181 S HA 0.702 5.173 4.470 0.001 0.000 0.234 181 S C 0.243 174.861 174.600 0.031 0.000 0.961 181 S CA 0.714 58.908 58.200 -0.010 0.000 0.953 181 S CB 0.384 63.569 63.200 -0.025 0.000 0.800 181 S HN 1.162 nan 8.310 nan 0.000 0.471 182 M N 1.899 121.541 119.600 0.070 0.000 2.426 182 M HA 0.343 4.824 4.480 0.001 0.000 0.289 182 M C -1.052 175.365 176.300 0.195 0.000 1.168 182 M CA -0.224 55.153 55.300 0.128 0.000 0.933 182 M CB 1.965 34.654 32.600 0.148 0.000 1.750 182 M HN 0.217 nan 8.290 nan 0.000 0.494 183 T N 1.207 115.850 114.554 0.148 0.000 2.913 183 T HA 0.478 4.829 4.350 0.001 0.000 0.297 183 T C -2.091 172.649 174.700 0.067 0.000 1.029 183 T CA -1.265 60.911 62.100 0.128 0.000 1.104 183 T CB 0.660 69.565 68.868 0.062 0.000 0.964 183 T HN 0.587 nan 8.240 nan 0.000 0.532 184 P HA -0.080 nan 4.420 nan 0.000 0.222 184 P C 1.138 178.337 177.300 -0.168 0.000 1.147 184 P CA 0.977 63.897 63.100 -0.301 0.000 0.790 184 P CB 0.151 31.552 31.700 -0.499 0.000 0.780 185 Q N 0.202 119.910 119.800 -0.153 0.000 2.119 185 Q HA -0.019 4.321 4.340 0.001 0.000 0.201 185 Q C 2.456 178.452 176.000 -0.007 0.000 0.972 185 Q CA 1.900 57.650 55.803 -0.089 0.000 0.847 185 Q CB -1.246 27.494 28.738 0.003 0.000 0.903 185 Q HN 0.205 nan 8.270 nan 0.000 0.433 186 A N 0.106 122.927 122.820 0.001 0.000 1.898 186 A HA -0.137 4.184 4.320 0.001 0.000 0.216 186 A C 2.303 179.919 177.584 0.052 0.000 1.181 186 A CA 1.419 53.444 52.037 -0.020 0.000 0.620 186 A CB -0.824 18.216 19.000 0.067 0.000 0.819 186 A HN 0.215 nan 8.150 nan 0.000 0.442 187 V N 0.261 120.270 119.914 0.159 0.000 2.287 187 V HA -0.290 3.831 4.120 0.001 0.000 0.248 187 V C 2.534 178.724 176.094 0.160 0.000 1.053 187 V CA 2.115 64.566 62.300 0.252 0.000 1.027 187 V CB -0.847 31.102 31.823 0.210 0.000 0.646 187 V HN 0.575 nan 8.190 nan 0.000 0.447 188 L N -0.109 121.134 121.223 0.033 0.000 2.201 188 L HA -0.080 4.260 4.340 0.001 0.000 0.212 188 L C 2.687 179.549 176.870 -0.013 0.000 1.105 188 L CA 1.115 55.917 54.840 -0.063 0.000 0.775 188 L CB -0.770 41.221 42.059 -0.113 0.000 0.913 188 L HN 0.357 nan 8.230 nan 0.000 0.440 189 A N 0.267 123.061 122.820 -0.044 0.000 1.877 189 A HA -0.201 4.119 4.320 0.001 0.000 0.216 189 A C 1.991 179.485 177.584 -0.150 0.000 1.186 189 A CA 1.505 53.459 52.037 -0.139 0.000 0.620 189 A CB -0.709 18.127 19.000 -0.274 0.000 0.822 189 A HN 0.273 nan 8.150 nan 0.000 0.443 190 F N 0.027 119.994 119.950 0.030 0.000 2.134 190 F HA -0.136 4.391 4.527 0.001 0.000 0.299 190 F C 2.492 178.302 175.800 0.017 0.000 1.097 190 F CA 1.338 59.358 58.000 0.033 0.000 1.264 190 F CB -0.930 38.098 39.000 0.048 0.000 1.001 190 F HN 0.015 nan 8.300 nan 0.000 0.479 191 V N 0.186 120.197 119.914 0.163 0.000 2.324 191 V HA -0.348 3.772 4.120 0.001 0.000 0.250 191 V C 2.586 178.702 176.094 0.037 0.000 1.060 191 V CA 1.853 64.187 62.300 0.057 0.000 1.042 191 V CB -1.513 30.277 31.823 -0.055 0.000 0.650 191 V HN 0.380 nan 8.190 nan 0.000 0.450 192 A N -0.670 122.165 122.820 0.025 0.000 2.070 192 A HA -0.068 4.253 4.320 0.001 0.000 0.220 192 A C 2.069 179.672 177.584 0.033 0.000 1.159 192 A CA 1.429 53.478 52.037 0.022 0.000 0.656 192 A CB -0.432 18.575 19.000 0.013 0.000 0.800 192 A HN 0.562 nan 8.150 nan 0.000 0.453 193 L N -0.328 120.929 121.223 0.057 0.000 2.592 193 L HA 0.230 4.570 4.340 0.001 0.000 0.227 193 L C 0.103 177.019 176.870 0.076 0.000 1.127 193 L CA -0.373 54.508 54.840 0.069 0.000 0.884 193 L CB -0.167 41.952 42.059 0.100 0.000 1.065 193 L HN 0.250 nan 8.230 nan 0.000 0.457 194 I N 2.201 122.816 120.570 0.075 0.000 2.741 194 I HA -0.032 4.139 4.170 0.001 0.000 0.288 194 I C -1.774 174.370 176.117 0.045 0.000 1.192 194 I CA -1.443 59.896 61.300 0.065 0.000 1.426 194 I CB 0.046 38.081 38.000 0.058 0.000 1.367 194 I HN -0.144 nan 8.210 nan 0.000 0.563 195 P HA 0.103 nan 4.420 nan 0.000 0.269 195 P C -2.417 174.897 177.300 0.024 0.000 1.215 195 P CA -1.011 62.102 63.100 0.022 0.000 0.780 195 P CB -0.289 31.412 31.700 0.001 0.000 0.898 196 P HA -0.005 nan 4.420 nan 0.000 0.264 196 P C -0.303 177.013 177.300 0.026 0.000 1.183 196 P CA 0.531 63.645 63.100 0.023 0.000 0.763 196 P CB -0.109 31.604 31.700 0.022 0.000 0.807 197 T N 4.499 119.067 114.554 0.024 0.000 2.738 197 T HA 0.212 4.563 4.350 0.001 0.000 0.293 197 T C 0.634 175.355 174.700 0.035 0.000 0.913 197 T CA -0.102 62.012 62.100 0.023 0.000 1.103 197 T CB -0.444 68.419 68.868 -0.007 0.000 0.880 197 T HN 0.153 nan 8.240 nan 0.000 0.526 198 L N 5.301 126.558 121.223 0.056 0.000 2.475 198 L HA 0.377 4.717 4.340 0.001 0.000 0.253 198 L C -1.865 175.062 176.870 0.095 0.000 1.198 198 L CA -2.423 52.463 54.840 0.077 0.000 0.814 198 L CB -0.152 41.966 42.059 0.098 0.000 1.134 198 L HN 0.320 nan 8.230 nan 0.000 0.478 199 P HA 0.101 nan 4.420 nan 0.000 0.272 199 P C 0.359 177.768 177.300 0.182 0.000 1.223 199 P CA 0.212 63.397 63.100 0.141 0.000 0.784 199 P CB 0.616 32.393 31.700 0.128 0.000 0.923 200 G N 1.080 110.030 108.800 0.249 0.000 2.198 200 G HA2 -0.209 3.751 3.960 0.001 0.000 0.257 200 G HA3 -0.209 3.751 3.960 0.001 0.000 0.257 200 G C 0.024 175.116 174.900 0.319 0.000 1.042 200 G CA -0.039 45.223 45.100 0.270 0.000 0.791 200 G HN 0.571 nan 8.290 nan 0.000 0.502 201 T N 1.891 116.633 114.554 0.313 0.000 3.176 201 T HA 0.315 4.666 4.350 0.001 0.000 0.301 201 T C 0.344 175.239 174.700 0.326 0.000 1.115 201 T CA -0.356 61.910 62.100 0.276 0.000 1.027 201 T CB 0.067 68.979 68.868 0.074 0.000 1.063 201 T HN 0.403 nan 8.240 nan 0.000 0.669 202 N N 3.617 122.583 118.700 0.443 0.000 2.422 202 N HA 0.415 5.155 4.740 0.001 0.000 0.266 202 N C -0.757 175.027 175.510 0.458 0.000 1.007 202 N CA -0.393 52.947 53.050 0.484 0.000 0.941 202 N CB 2.098 40.820 38.487 0.392 0.000 1.115 202 N HN 0.544 nan 8.380 nan 0.000 0.492 203 I N 1.616 122.419 120.570 0.389 0.000 2.465 203 I HA 0.337 4.508 4.170 0.001 0.000 0.291 203 I C -1.128 175.190 176.117 0.336 0.000 1.014 203 I CA -0.839 60.643 61.300 0.304 0.000 1.093 203 I CB 1.501 39.557 38.000 0.093 0.000 1.267 203 I HN 0.038 nan 8.210 nan 0.000 0.431 204 V N 8.066 128.154 119.914 0.291 0.000 2.370 204 V HA 0.431 4.552 4.120 0.001 0.000 0.283 204 V C 0.129 176.352 176.094 0.214 0.000 1.023 204 V CA -0.439 62.017 62.300 0.260 0.000 0.857 204 V CB 1.299 33.236 31.823 0.191 0.000 0.985 204 V HN 0.573 nan 8.190 nan 0.000 0.443 205 L N 3.617 124.957 121.223 0.195 0.000 2.332 205 L HA 0.835 5.176 4.340 0.001 0.000 0.269 205 L C 0.751 177.734 176.870 0.189 0.000 1.016 205 L CA -0.593 54.342 54.840 0.158 0.000 0.809 205 L CB 1.703 43.856 42.059 0.157 0.000 1.280 205 L HN 0.703 nan 8.230 nan 0.000 0.447 206 G N -0.006 108.900 108.800 0.177 0.000 2.400 206 G HA2 0.668 4.629 3.960 0.001 0.000 0.333 206 G HA3 0.668 4.629 3.960 0.001 0.000 0.333 206 G C -1.203 173.803 174.900 0.178 0.000 1.143 206 G CA -0.433 44.855 45.100 0.314 0.000 0.914 206 G HN 0.711 nan 8.290 nan 0.000 0.480 207 A N 0.655 123.600 122.820 0.208 0.000 2.318 207 A HA 0.804 5.124 4.320 0.001 0.000 0.324 207 A C -1.132 176.515 177.584 0.105 0.000 1.170 207 A CA -0.560 51.546 52.037 0.114 0.000 0.810 207 A CB 1.495 20.542 19.000 0.079 0.000 1.198 207 A HN 1.312 nan 8.150 nan 0.000 0.484 208 L N 3.816 125.073 121.223 0.057 0.000 2.751 208 L HA 0.487 4.828 4.340 0.001 0.000 0.261 208 L C -2.728 174.174 176.870 0.053 0.000 0.927 208 L CA -0.838 54.021 54.840 0.031 0.000 0.968 208 L CB 1.869 43.881 42.059 -0.077 0.000 1.432 208 L HN 0.499 nan 8.230 nan 0.000 0.439 209 P HA 0.066 nan 4.420 nan 0.000 0.266 209 P C 0.418 177.766 177.300 0.080 0.000 1.193 209 P CA 0.121 63.254 63.100 0.055 0.000 0.770 209 P CB 0.682 32.407 31.700 0.041 0.000 0.836 210 E N 1.073 121.314 120.200 0.069 0.000 2.110 210 E HA -0.247 4.103 4.350 0.001 0.000 0.193 210 E C 0.803 177.441 176.600 0.063 0.000 0.988 210 E CA 1.411 57.852 56.400 0.068 0.000 0.804 210 E CB -0.011 29.703 29.700 0.024 0.000 0.745 210 E HN 0.377 nan 8.360 nan 0.000 0.458 211 D N -0.058 120.370 120.400 0.045 0.000 2.117 211 D HA -0.125 4.515 4.640 0.001 0.000 0.198 211 D C 1.994 178.325 176.300 0.052 0.000 0.982 211 D CA 0.678 54.700 54.000 0.037 0.000 0.828 211 D CB -0.138 40.677 40.800 0.025 0.000 0.967 211 D HN 0.053 nan 8.370 nan 0.000 0.464 212 R N -0.220 120.315 120.500 0.058 0.000 2.096 212 R HA -0.110 4.230 4.340 0.001 0.000 0.235 212 R C 2.141 178.494 176.300 0.087 0.000 1.127 212 R CA 0.953 57.087 56.100 0.056 0.000 0.968 212 R CB -0.642 29.683 30.300 0.042 0.000 0.861 212 R HN 0.510 nan 8.270 nan 0.000 0.440 213 H N 0.013 119.076 119.070 -0.012 0.000 2.299 213 H HA 0.000 4.557 4.556 0.001 0.000 0.302 213 H C 2.235 177.544 175.328 -0.032 0.000 1.078 213 H CA 1.471 57.499 56.048 -0.033 0.000 1.323 213 H CB 0.058 29.791 29.762 -0.048 0.000 1.381 213 H HN 0.040 nan 8.280 nan 0.000 0.498 214 I N 0.720 121.351 120.570 0.102 0.000 2.151 214 I HA -0.325 3.845 4.170 0.001 0.000 0.243 214 I C 2.335 178.478 176.117 0.045 0.000 1.080 214 I CA 1.465 62.775 61.300 0.016 0.000 1.339 214 I CB -0.327 37.670 38.000 -0.004 0.000 1.039 214 I HN 0.478 nan 8.210 nan 0.000 0.409 215 D N 0.533 120.964 120.400 0.052 0.000 2.106 215 D HA -0.247 4.394 4.640 0.001 0.000 0.191 215 D C 2.300 178.628 176.300 0.046 0.000 0.997 215 D CA 1.544 55.569 54.000 0.041 0.000 0.834 215 D CB -0.029 40.793 40.800 0.037 0.000 0.956 215 D HN 0.250 nan 8.370 nan 0.000 0.448 216 R N 0.150 120.687 120.500 0.062 0.000 2.092 216 R HA -0.129 4.211 4.340 0.001 0.000 0.231 216 R C 2.493 178.835 176.300 0.070 0.000 1.119 216 R CA 0.578 56.710 56.100 0.053 0.000 0.970 216 R CB -0.295 30.023 30.300 0.028 0.000 0.864 216 R HN 0.112 nan 8.270 nan 0.000 0.440 217 L N 0.877 122.167 121.223 0.113 0.000 2.046 217 L HA -0.075 4.266 4.340 0.001 0.000 0.208 217 L C 2.207 179.112 176.870 0.058 0.000 1.077 217 L CA 2.111 57.012 54.840 0.101 0.000 0.747 217 L CB -0.842 41.260 42.059 0.073 0.000 0.896 217 L HN 0.230 nan 8.230 nan 0.000 0.432 218 A N 0.660 123.504 122.820 0.040 0.000 1.884 218 A HA -0.332 3.988 4.320 0.001 0.000 0.219 218 A C 2.258 179.854 177.584 0.020 0.000 1.197 218 A CA 2.779 54.830 52.037 0.023 0.000 0.637 218 A CB -0.776 18.235 19.000 0.019 0.000 0.827 218 A HN 0.718 nan 8.150 nan 0.000 0.450 219 K N -0.299 120.116 120.400 0.025 0.000 2.296 219 K HA -0.069 4.252 4.320 0.001 0.000 0.200 219 K C 1.093 177.708 176.600 0.026 0.000 1.048 219 K CA 0.963 57.263 56.287 0.022 0.000 0.966 219 K CB -0.081 32.431 32.500 0.021 0.000 0.754 219 K HN 0.588 nan 8.250 nan 0.000 0.466 220 R N 1.494 122.017 120.500 0.038 0.000 3.463 220 R HA 0.204 4.545 4.340 0.001 0.000 0.303 220 R C -0.859 175.471 176.300 0.050 0.000 1.370 220 R CA -0.523 55.604 56.100 0.046 0.000 1.524 220 R CB 0.347 30.680 30.300 0.055 0.000 1.389 220 R HN -0.022 nan 8.270 nan 0.000 0.640 221 Q N 2.481 122.293 119.800 0.020 0.000 2.295 221 Q HA 0.203 4.544 4.340 0.001 0.000 0.259 221 Q C -0.165 175.823 176.000 -0.020 0.000 0.976 221 Q CA 0.052 55.845 55.803 -0.016 0.000 0.923 221 Q CB 1.629 30.340 28.738 -0.045 0.000 1.185 221 Q HN 0.386 nan 8.270 nan 0.000 0.410 222 R N 2.734 123.215 120.500 -0.031 0.000 2.649 222 R HA 0.251 4.592 4.340 0.001 0.000 0.270 222 R C -2.026 174.255 176.300 -0.032 0.000 1.105 222 R CA -1.682 54.417 56.100 -0.002 0.000 1.193 222 R CB -0.335 29.993 30.300 0.046 0.000 1.120 222 R HN 0.307 nan 8.270 nan 0.000 0.561 223 P HA 0.016 nan 4.420 nan 0.000 0.259 223 P C 0.295 177.589 177.300 -0.010 0.000 1.211 223 P CA 0.890 63.991 63.100 0.002 0.000 0.810 223 P CB 0.281 31.999 31.700 0.029 0.000 0.815 224 G N 2.102 110.876 108.800 -0.043 0.000 2.195 224 G HA2 -0.222 3.738 3.960 0.001 0.000 0.224 224 G HA3 -0.222 3.738 3.960 0.001 0.000 0.224 224 G C 0.160 174.986 174.900 -0.124 0.000 0.990 224 G CA -0.301 44.775 45.100 -0.041 0.000 0.639 224 G HN 0.580 nan 8.290 nan 0.000 0.514 225 E N 0.596 120.631 120.200 -0.276 0.000 2.383 225 E HA 0.566 4.916 4.350 0.001 0.000 0.264 225 E C 0.301 176.581 176.600 -0.534 0.000 1.050 225 E CA -0.443 55.512 56.400 -0.741 0.000 0.896 225 E CB 0.390 29.688 29.700 -0.671 0.000 0.982 225 E HN 0.398 nan 8.360 nan 0.000 0.424 226 R N 2.756 122.865 120.500 -0.653 0.000 2.562 226 R HA 0.275 4.616 4.340 0.001 0.000 0.298 226 R C -0.959 175.278 176.300 -0.105 0.000 0.961 226 R CA -1.040 54.944 56.100 -0.193 0.000 0.881 226 R CB 1.139 31.443 30.300 0.006 0.000 1.159 226 R HN 0.404 nan 8.270 nan 0.000 0.450 227 L N 3.416 124.614 121.223 -0.041 0.000 2.623 227 L HA 0.092 4.432 4.340 0.001 0.000 0.281 227 L C -0.658 176.254 176.870 0.071 0.000 1.150 227 L CA 0.648 55.496 54.840 0.014 0.000 0.965 227 L CB -0.230 41.830 42.059 0.001 0.000 1.303 227 L HN 0.472 nan 8.230 nan 0.000 0.467 228 D N 4.140 124.621 120.400 0.136 0.000 2.441 228 D HA 0.145 4.786 4.640 0.001 0.000 0.231 228 D C 0.873 177.226 176.300 0.089 0.000 1.073 228 D CA -0.325 53.759 54.000 0.141 0.000 0.850 228 D CB 1.060 41.990 40.800 0.217 0.000 1.062 228 D HN 0.499 nan 8.370 nan 0.000 0.524 229 L N 3.010 124.256 121.223 0.039 0.000 2.217 229 L HA -0.013 4.327 4.340 0.001 0.000 0.211 229 L C 2.452 179.316 176.870 -0.011 0.000 1.107 229 L CA 1.103 55.940 54.840 -0.004 0.000 0.783 229 L CB -0.125 41.928 42.059 -0.010 0.000 0.919 229 L HN 0.467 nan 8.230 nan 0.000 0.442 230 A N -0.439 122.385 122.820 0.007 0.000 1.873 230 A HA -0.236 4.084 4.320 0.001 0.000 0.215 230 A C 2.248 179.827 177.584 -0.007 0.000 1.186 230 A CA 1.799 53.831 52.037 -0.010 0.000 0.616 230 A CB -0.477 18.516 19.000 -0.011 0.000 0.823 230 A HN 0.335 nan 8.150 nan 0.000 0.442 231 M N -0.614 119.004 119.600 0.030 0.000 2.159 231 M HA -0.067 4.414 4.480 0.001 0.000 0.263 231 M C 1.795 178.121 176.300 0.044 0.000 1.063 231 M CA 1.490 56.824 55.300 0.056 0.000 1.110 231 M CB -0.660 32.019 32.600 0.131 0.000 1.374 231 M HN 0.338 nan 8.290 nan 0.000 0.411 232 L N 0.105 121.327 121.223 -0.001 0.000 2.093 232 L HA 0.031 4.371 4.340 0.001 0.000 0.208 232 L C 2.238 179.028 176.870 -0.134 0.000 1.085 232 L CA 2.033 56.792 54.840 -0.135 0.000 0.755 232 L CB -1.062 40.860 42.059 -0.228 0.000 0.904 232 L HN 0.321 nan 8.230 nan 0.000 0.435 233 A N -0.597 122.173 122.820 -0.083 0.000 1.897 233 A HA 0.004 4.325 4.320 0.001 0.000 0.215 233 A C 2.449 180.002 177.584 -0.051 0.000 1.181 233 A CA 1.460 53.458 52.037 -0.064 0.000 0.620 233 A CB -1.115 17.854 19.000 -0.051 0.000 0.821 233 A HN 0.530 nan 8.150 nan 0.000 0.443 234 A N -0.157 122.632 122.820 -0.051 0.000 1.865 234 A HA -0.145 4.175 4.320 0.001 0.000 0.217 234 A C 2.099 179.649 177.584 -0.057 0.000 1.191 234 A CA 1.870 53.873 52.037 -0.058 0.000 0.623 234 A CB -0.650 18.313 19.000 -0.061 0.000 0.826 234 A HN 0.571 nan 8.150 nan 0.000 0.444 235 I N -0.402 120.138 120.570 -0.051 0.000 2.394 235 I HA -0.169 4.002 4.170 0.001 0.000 0.251 235 I C 2.425 178.584 176.117 0.070 0.000 1.136 235 I CA 1.301 62.578 61.300 -0.040 0.000 1.425 235 I CB -0.323 37.645 38.000 -0.053 0.000 1.079 235 I HN 0.252 nan 8.210 nan 0.000 0.425 236 R N -0.378 120.136 120.500 0.023 0.000 2.075 236 R HA -0.141 4.200 4.340 0.001 0.000 0.232 236 R C 2.493 178.831 176.300 0.063 0.000 1.126 236 R CA 1.455 57.591 56.100 0.060 0.000 0.963 236 R CB -0.417 29.893 30.300 0.017 0.000 0.858 236 R HN 0.324 nan 8.270 nan 0.000 0.435 237 R N 0.685 121.192 120.500 0.012 0.000 2.066 237 R HA -0.103 4.238 4.340 0.001 0.000 0.232 237 R C 2.048 178.335 176.300 -0.021 0.000 1.131 237 R CA 1.350 57.446 56.100 -0.007 0.000 0.955 237 R CB -0.174 30.106 30.300 -0.034 0.000 0.851 237 R HN 0.046 nan 8.270 nan 0.000 0.432 238 V N 0.416 120.299 119.914 -0.053 0.000 2.287 238 V HA -0.280 3.841 4.120 0.001 0.000 0.248 238 V C 1.945 177.945 176.094 -0.157 0.000 1.053 238 V CA 1.869 64.086 62.300 -0.138 0.000 1.027 238 V CB -0.662 31.027 31.823 -0.222 0.000 0.646 238 V HN 0.367 nan 8.190 nan 0.000 0.447 239 Y N 1.029 121.297 120.300 -0.054 0.000 2.314 239 Y HA -0.016 4.535 4.550 0.001 0.000 0.293 239 Y C 2.489 178.382 175.900 -0.011 0.000 1.129 239 Y CA 1.325 59.410 58.100 -0.025 0.000 1.201 239 Y CB -0.912 37.545 38.460 -0.005 0.000 0.999 239 Y HN 0.268 nan 8.280 nan 0.000 0.541 240 G N 0.023 108.894 108.800 0.117 0.000 2.421 240 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 240 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 240 G C 1.645 176.565 174.900 0.032 0.000 1.171 240 G CA 1.022 46.166 45.100 0.072 0.000 0.775 240 G HN 0.321 nan 8.290 nan 0.000 0.543 241 L N -0.202 121.018 121.223 -0.006 0.000 2.012 241 L HA -0.073 4.267 4.340 0.001 0.000 0.210 241 L C 2.723 179.563 176.870 -0.050 0.000 1.073 241 L CA 0.841 55.657 54.840 -0.039 0.000 0.748 241 L CB -0.636 41.377 42.059 -0.078 0.000 0.891 241 L HN 0.253 nan 8.230 nan 0.000 0.431 242 L N 0.581 121.759 121.223 -0.075 0.000 2.021 242 L HA -0.245 4.096 4.340 0.001 0.000 0.215 242 L C 2.659 179.519 176.870 -0.017 0.000 1.074 242 L CA 2.214 57.005 54.840 -0.083 0.000 0.760 242 L CB -0.818 41.157 42.059 -0.140 0.000 0.889 242 L HN 0.177 nan 8.230 nan 0.000 0.433 243 A N -0.475 122.363 122.820 0.029 0.000 1.908 243 A HA -0.249 4.071 4.320 0.001 0.000 0.218 243 A C 2.105 179.714 177.584 0.041 0.000 1.181 243 A CA 2.025 54.088 52.037 0.042 0.000 0.627 243 A CB -0.875 18.163 19.000 0.064 0.000 0.818 243 A HN 0.658 nan 8.150 nan 0.000 0.445 244 N N -0.342 118.384 118.700 0.043 0.000 2.188 244 N HA -0.093 4.648 4.740 0.001 0.000 0.184 244 N C 1.727 177.301 175.510 0.107 0.000 1.018 244 N CA 1.835 54.926 53.050 0.067 0.000 0.858 244 N CB -0.763 37.755 38.487 0.051 0.000 0.989 244 N HN 0.534 nan 8.380 nan 0.000 0.426 245 T N 0.964 115.556 114.554 0.063 0.000 2.708 245 T HA -0.047 4.304 4.350 0.001 0.000 0.266 245 T C 2.214 177.017 174.700 0.172 0.000 1.037 245 T CA 0.920 63.084 62.100 0.106 0.000 1.146 245 T CB -0.392 68.442 68.868 -0.056 0.000 0.865 245 T HN -0.039 nan 8.240 nan 0.000 0.435 246 V N 1.850 121.811 119.914 0.079 0.000 2.255 246 V HA -0.238 3.883 4.120 0.001 0.000 0.247 246 V C 2.619 178.763 176.094 0.084 0.000 1.051 246 V CA 2.160 64.493 62.300 0.056 0.000 1.018 246 V CB -0.682 31.137 31.823 -0.006 0.000 0.641 246 V HN 0.343 nan 8.190 nan 0.000 0.445 247 R N -0.485 120.067 120.500 0.087 0.000 2.096 247 R HA -0.258 4.082 4.340 0.001 0.000 0.240 247 R C 2.323 178.708 176.300 0.140 0.000 1.139 247 R CA 2.321 58.474 56.100 0.088 0.000 0.952 247 R CB -0.871 29.479 30.300 0.084 0.000 0.854 247 R HN 0.583 nan 8.270 nan 0.000 0.436 248 Y N 0.886 121.231 120.300 0.075 0.000 2.081 248 Y HA -0.244 4.307 4.550 0.001 0.000 0.280 248 Y C 1.809 177.772 175.900 0.105 0.000 1.163 248 Y CA 2.190 60.352 58.100 0.103 0.000 1.135 248 Y CB -0.422 38.134 38.460 0.160 0.000 0.970 248 Y HN 0.094 nan 8.280 nan 0.000 0.498 249 L N 0.022 121.343 121.223 0.163 0.000 2.042 249 L HA -0.306 4.035 4.340 0.001 0.000 0.210 249 L C 2.513 179.376 176.870 -0.013 0.000 1.076 249 L CA 1.938 56.818 54.840 0.067 0.000 0.749 249 L CB -0.717 41.451 42.059 0.182 0.000 0.893 249 L HN 0.353 nan 8.230 nan 0.000 0.432 250 Q N -1.216 118.590 119.800 0.010 0.000 2.291 250 Q HA -0.131 4.209 4.340 0.001 0.000 0.205 250 Q C 1.949 177.934 176.000 -0.024 0.000 0.970 250 Q CA 1.047 56.848 55.803 -0.005 0.000 0.876 250 Q CB -0.080 28.662 28.738 0.006 0.000 0.935 250 Q HN 0.559 nan 8.270 nan 0.000 0.455 251 C N -0.139 119.133 119.300 -0.046 0.000 2.625 251 C HA 0.324 4.785 4.460 0.001 0.000 0.285 251 C C 1.517 176.444 174.990 -0.105 0.000 1.279 251 C CA 0.331 59.315 59.018 -0.056 0.000 1.698 251 C CB -0.755 26.967 27.740 -0.030 0.000 1.821 251 C HN 0.791 nan 8.230 nan 0.000 0.600 252 G N 0.380 109.097 108.800 -0.138 0.000 2.176 252 G HA2 -0.110 3.850 3.960 0.001 0.000 0.232 252 G HA3 -0.110 3.850 3.960 0.001 0.000 0.232 252 G C 0.425 175.166 174.900 -0.265 0.000 0.986 252 G CA -0.098 44.911 45.100 -0.151 0.000 0.643 252 G HN 0.807 nan 8.290 nan 0.000 0.522 253 G N 0.328 108.812 108.800 -0.528 0.000 2.265 253 G HA2 0.440 4.401 3.960 0.001 0.000 0.240 253 G HA3 0.440 4.401 3.960 0.001 0.000 0.240 253 G C 0.279 174.878 174.900 -0.501 0.000 1.270 253 G CA 1.254 45.743 45.100 -1.019 0.000 0.901 253 G HN 1.347 nan 8.290 nan 0.000 0.507 254 S N 3.678 119.243 115.700 -0.226 0.000 2.669 254 S HA 0.293 4.763 4.470 0.001 0.000 0.315 254 S C 1.128 175.718 174.600 -0.017 0.000 1.106 254 S CA -0.854 57.287 58.200 -0.099 0.000 1.107 254 S CB 0.153 63.270 63.200 -0.138 0.000 0.990 254 S HN 0.752 nan 8.310 nan 0.000 0.471 255 W N 6.401 127.618 121.300 -0.139 0.000 2.342 255 W HA -0.183 4.477 4.660 0.001 0.000 0.297 255 W C 0.998 177.450 176.519 -0.112 0.000 1.213 255 W CA 0.884 58.027 57.345 -0.336 0.000 1.251 255 W CB -0.615 28.156 29.460 -1.149 0.000 1.136 255 W HN 0.662 nan 8.180 nan 0.000 0.526 256 R N 0.803 120.595 120.500 -1.180 0.000 2.096 256 R HA -0.157 4.183 4.340 0.001 0.000 0.235 256 R C 2.371 178.433 176.300 -0.395 0.000 1.127 256 R CA 2.039 57.471 56.100 -1.114 0.000 0.968 256 R CB -0.528 29.105 30.300 -1.111 0.000 0.861 256 R HN 0.317 nan 8.270 nan 0.000 0.440 257 E N 0.442 120.491 120.200 -0.252 0.000 2.107 257 E HA -0.147 4.204 4.350 0.001 0.000 0.191 257 E C 0.614 177.207 176.600 -0.012 0.000 0.982 257 E CA 1.132 57.467 56.400 -0.107 0.000 0.809 257 E CB 0.264 29.905 29.700 -0.098 0.000 0.756 257 E HN 0.228 nan 8.360 nan 0.000 0.459 258 D N -0.355 120.072 120.400 0.045 0.000 2.349 258 D HA -0.075 4.565 4.640 0.001 0.000 0.214 258 D C 1.076 177.453 176.300 0.128 0.000 1.063 258 D CA -0.121 53.925 54.000 0.077 0.000 0.847 258 D CB -0.372 40.492 40.800 0.107 0.000 0.933 258 D HN 0.379 nan 8.370 nan 0.000 0.513 259 W N 2.134 123.437 121.300 0.005 0.000 2.325 259 W HA -0.197 4.464 4.660 0.001 0.000 0.299 259 W C 1.752 178.301 176.519 0.050 0.000 1.215 259 W CA 1.774 59.171 57.345 0.087 0.000 1.244 259 W CB -0.227 29.323 29.460 0.150 0.000 1.140 259 W HN 0.061 nan 8.180 nan 0.000 0.523 260 G N 0.379 109.246 108.800 0.112 0.000 2.462 260 G HA2 -0.313 3.648 3.960 0.001 0.000 0.220 260 G HA3 -0.313 3.648 3.960 0.001 0.000 0.220 260 G C 1.369 176.236 174.900 -0.055 0.000 1.121 260 G CA 0.827 45.937 45.100 0.016 0.000 0.758 260 G HN 0.453 nan 8.290 nan 0.000 0.559 261 Q N -0.393 119.373 119.800 -0.057 0.000 2.364 261 Q HA 0.163 4.504 4.340 0.001 0.000 0.207 261 Q C 2.253 178.219 176.000 -0.057 0.000 0.970 261 Q CA 0.302 56.084 55.803 -0.035 0.000 0.888 261 Q CB -0.103 28.602 28.738 -0.055 0.000 0.951 261 Q HN 0.457 nan 8.270 nan 0.000 0.469 262 L N -0.728 120.376 121.223 -0.198 0.000 2.418 262 L HA 0.017 4.358 4.340 0.001 0.000 0.218 262 L C 0.965 177.705 176.870 -0.216 0.000 1.125 262 L CA 0.454 55.147 54.840 -0.245 0.000 0.835 262 L CB 0.360 42.117 42.059 -0.502 0.000 0.953 262 L HN -0.057 nan 8.230 nan 0.000 0.454 263 S N -0.342 115.246 115.700 -0.187 0.000 2.835 263 S HA 0.513 4.984 4.470 0.001 0.000 0.248 263 S C 0.160 174.726 174.600 -0.056 0.000 1.070 263 S CA -0.180 57.951 58.200 -0.116 0.000 1.090 263 S CB 1.077 64.208 63.200 -0.115 0.000 0.978 263 S HN 0.427 nan 8.310 nan 0.000 0.510 281 R N -0.408 120.140 120.500 0.079 0.000 2.781 281 R HA 0.842 5.183 4.340 0.001 0.000 0.269 281 R C -2.872 173.536 176.300 0.180 0.000 1.025 281 R CA -1.678 54.494 56.100 0.120 0.000 0.914 281 R CB 0.364 30.724 30.300 0.100 0.000 1.236 281 R HN -0.212 nan 8.270 nan 0.000 0.465 282 P HA 0.041 nan 4.420 nan 0.000 0.270 282 P C -1.030 176.428 177.300 0.264 0.000 1.223 282 P CA -0.225 63.004 63.100 0.216 0.000 0.785 282 P CB 0.329 32.138 31.700 0.181 0.000 0.923 283 H N 1.951 121.077 119.070 0.094 0.000 2.652 283 H HA 0.109 4.665 4.556 0.001 0.000 0.349 283 H C 1.242 176.555 175.328 -0.026 0.000 1.099 283 H CA -0.140 55.948 56.048 0.066 0.000 1.417 283 H CB 0.820 30.603 29.762 0.035 0.000 1.457 283 H HN 0.430 nan 8.280 nan 0.000 0.568 284 I N 3.567 123.886 120.570 -0.419 0.000 2.399 284 I HA -0.203 3.967 4.170 0.001 0.000 0.254 284 I C 1.993 178.037 176.117 -0.121 0.000 1.146 284 I CA 1.661 62.735 61.300 -0.376 0.000 1.412 284 I CB -0.336 37.477 38.000 -0.311 0.000 1.076 284 I HN 0.796 nan 8.210 nan 0.000 0.432 285 G N -0.396 108.460 108.800 0.093 0.000 2.559 285 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 285 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 285 G C 0.930 175.882 174.900 0.088 0.000 1.126 285 G CA 0.610 45.807 45.100 0.162 0.000 0.778 285 G HN 0.405 nan 8.290 nan 0.000 0.543 286 D N 0.061 120.511 120.400 0.084 0.000 2.402 286 D HA 0.106 4.747 4.640 0.001 0.000 0.216 286 D C 1.322 177.617 176.300 -0.008 0.000 1.128 286 D CA 0.332 54.353 54.000 0.035 0.000 0.833 286 D CB 0.659 41.496 40.800 0.061 0.000 0.971 286 D HN 0.408 nan 8.370 nan 0.000 0.503 287 T N -3.110 111.416 114.554 -0.046 0.000 2.919 287 T HA 0.411 4.761 4.350 0.001 0.000 0.282 287 T C 1.475 176.111 174.700 -0.107 0.000 1.020 287 T CA -0.703 61.349 62.100 -0.081 0.000 0.994 287 T CB 1.156 69.949 68.868 -0.124 0.000 1.180 287 T HN -0.176 nan 8.240 nan 0.000 0.566 288 L N -0.443 120.650 121.223 -0.217 0.000 2.265 288 L HA 0.027 4.368 4.340 0.001 0.000 0.215 288 L C 2.278 179.049 176.870 -0.165 0.000 1.117 288 L CA 1.087 55.787 54.840 -0.232 0.000 0.782 288 L CB -0.747 41.152 42.059 -0.267 0.000 0.914 288 L HN 0.596 nan 8.230 nan 0.000 0.441 289 F N 0.416 120.404 119.950 0.064 0.000 2.154 289 F HA -0.281 4.247 4.527 0.001 0.000 0.301 289 F C 2.793 178.656 175.800 0.105 0.000 1.087 289 F CA 1.799 59.891 58.000 0.153 0.000 1.274 289 F CB -1.648 37.432 39.000 0.134 0.000 1.009 289 F HN 0.196 nan 8.300 nan 0.000 0.485 290 T N -0.623 113.991 114.554 0.101 0.000 2.737 290 T HA -0.241 4.109 4.350 0.001 0.000 0.269 290 T C 2.010 176.652 174.700 -0.097 0.000 1.040 290 T CA 1.517 63.601 62.100 -0.028 0.000 1.142 290 T CB -1.002 67.834 68.868 -0.053 0.000 0.861 290 T HN 0.315 nan 8.240 nan 0.000 0.456 291 L N -0.620 120.464 121.223 -0.231 0.000 2.131 291 L HA 0.049 4.389 4.340 0.001 0.000 0.210 291 L C 1.579 178.052 176.870 -0.661 0.000 1.092 291 L CA 1.113 55.669 54.840 -0.472 0.000 0.759 291 L CB -0.712 40.874 42.059 -0.789 0.000 0.903 291 L HN 0.220 nan 8.230 nan 0.000 0.435 292 F N -0.626 119.321 119.950 -0.005 0.000 2.701 292 F HA 0.144 4.671 4.527 0.001 0.000 0.295 292 F C 1.820 177.750 175.800 0.216 0.000 1.165 292 F CA 0.057 58.065 58.000 0.012 0.000 1.399 292 F CB -0.489 38.499 39.000 -0.021 0.000 0.996 292 F HN -0.114 nan 8.300 nan 0.000 0.513 293 R N 0.799 121.407 120.500 0.180 0.000 2.480 293 R HA 0.416 4.757 4.340 0.001 0.000 0.277 293 R C 0.484 176.846 176.300 0.102 0.000 1.008 293 R CA -0.243 55.949 56.100 0.152 0.000 1.090 293 R CB -0.109 30.122 30.300 -0.115 0.000 1.234 293 R HN 0.194 nan 8.270 nan 0.000 0.549 294 A N 1.618 124.486 122.820 0.080 0.000 2.488 294 A HA 0.187 4.508 4.320 0.001 0.000 0.249 294 A C -1.499 176.125 177.584 0.068 0.000 1.083 294 A CA -1.174 50.902 52.037 0.065 0.000 0.768 294 A CB 0.299 19.304 19.000 0.009 0.000 1.017 294 A HN 0.166 nan 8.150 nan 0.000 0.496 295 P HA -0.176 nan 4.420 nan 0.000 0.219 295 P C 0.591 177.935 177.300 0.074 0.000 1.146 295 P CA 1.333 64.474 63.100 0.068 0.000 0.808 295 P CB 0.244 31.977 31.700 0.055 0.000 0.779 296 E N -0.029 120.201 120.200 0.049 0.000 2.204 296 E HA -0.068 4.283 4.350 0.001 0.000 0.195 296 E C 1.947 178.571 176.600 0.041 0.000 0.990 296 E CA 0.842 57.264 56.400 0.038 0.000 0.821 296 E CB -0.754 28.939 29.700 -0.012 0.000 0.750 296 E HN 0.319 nan 8.360 nan 0.000 0.477 297 L N 0.169 121.374 121.223 -0.031 0.000 2.592 297 L HA 0.194 4.535 4.340 0.001 0.000 0.227 297 L C 0.169 177.202 176.870 0.272 0.000 1.127 297 L CA -0.076 54.744 54.840 -0.034 0.000 0.884 297 L CB -0.104 41.807 42.059 -0.246 0.000 1.065 297 L HN 0.035 nan 8.230 nan 0.000 0.457 298 L N -0.229 121.090 121.223 0.161 0.000 2.325 298 L HA 0.640 4.981 4.340 0.001 0.000 0.278 298 L C 0.455 177.245 176.870 -0.133 0.000 1.023 298 L CA -0.597 54.246 54.840 0.005 0.000 0.811 298 L CB 1.483 43.579 42.059 0.062 0.000 1.249 298 L HN -0.105 nan 8.230 nan 0.000 0.431 299 A N 3.065 125.575 122.820 -0.516 0.000 2.280 299 A HA 0.444 4.764 4.320 0.001 0.000 0.268 299 A C -1.648 175.868 177.584 -0.114 0.000 1.111 299 A CA -1.111 50.655 52.037 -0.451 0.000 0.814 299 A CB -0.281 18.350 19.000 -0.616 0.000 1.093 299 A HN 0.662 nan 8.150 nan 0.000 0.498 300 P HA -0.170 nan 4.420 nan 0.000 0.218 300 P C 0.668 177.962 177.300 -0.009 0.000 1.146 300 P CA 1.753 64.857 63.100 0.006 0.000 0.820 300 P CB -0.045 31.671 31.700 0.027 0.000 0.778 301 N N -1.846 116.835 118.700 -0.033 0.000 2.336 301 N HA 0.089 4.829 4.740 0.001 0.000 0.189 301 N C 1.249 176.752 175.510 -0.011 0.000 1.113 301 N CA 0.765 53.803 53.050 -0.020 0.000 0.858 301 N CB -0.589 37.883 38.487 -0.024 0.000 0.970 301 N HN 0.198 nan 8.380 nan 0.000 0.471 302 G N -0.475 108.314 108.800 -0.017 0.000 2.234 302 G HA2 -0.247 3.714 3.960 0.001 0.000 0.235 302 G HA3 -0.247 3.714 3.960 0.001 0.000 0.235 302 G C -0.514 174.413 174.900 0.045 0.000 0.997 302 G CA 0.079 45.194 45.100 0.026 0.000 0.623 302 G HN 0.441 nan 8.290 nan 0.000 0.514 303 D N 0.550 120.931 120.400 -0.032 0.000 2.423 303 D HA 0.348 4.989 4.640 0.001 0.000 0.238 303 D C 0.912 177.139 176.300 -0.121 0.000 1.142 303 D CA -0.162 53.805 54.000 -0.054 0.000 0.884 303 D CB 0.876 41.601 40.800 -0.125 0.000 1.199 303 D HN 0.302 nan 8.370 nan 0.000 0.438 304 L N 2.710 123.882 121.223 -0.085 0.000 2.367 304 L HA 0.095 4.436 4.340 0.001 0.000 0.275 304 L C -0.170 176.632 176.870 -0.115 0.000 1.129 304 L CA -0.515 54.281 54.840 -0.072 0.000 0.839 304 L CB 0.209 42.137 42.059 -0.217 0.000 1.133 304 L HN 0.332 nan 8.230 nan 0.000 0.453 305 Y N 3.963 124.295 120.300 0.052 0.000 2.578 305 Y HA -0.075 4.475 4.550 0.001 0.000 0.339 305 Y C 1.741 177.435 175.900 -0.344 0.000 1.231 305 Y CA 0.137 58.163 58.100 -0.123 0.000 1.461 305 Y CB 0.248 38.627 38.460 -0.134 0.000 1.323 305 Y HN 0.594 nan 8.280 nan 0.000 0.590 306 N N 0.898 119.371 118.700 -0.378 0.000 2.149 306 N HA -0.165 4.575 4.740 0.001 0.000 0.188 306 N C 1.796 176.587 175.510 -1.199 0.000 1.019 306 N CA 1.657 54.146 53.050 -0.936 0.000 0.857 306 N CB -0.204 37.536 38.487 -1.244 0.000 0.997 306 N HN 0.483 nan 8.380 nan 0.000 0.426 307 V N 0.980 120.386 119.914 -0.847 0.000 2.252 307 V HA -0.256 3.865 4.120 0.001 0.000 0.249 307 V C 2.000 177.838 176.094 -0.427 0.000 1.056 307 V CA 1.747 63.700 62.300 -0.578 0.000 1.022 307 V CB -1.136 30.211 31.823 -0.793 0.000 0.641 307 V HN 0.063 nan 8.190 nan 0.000 0.445 308 F N 1.408 121.268 119.950 -0.149 0.000 2.186 308 F HA 0.091 4.619 4.527 0.001 0.000 0.299 308 F C 2.572 178.238 175.800 -0.223 0.000 1.090 308 F CA 0.799 58.703 58.000 -0.160 0.000 1.307 308 F CB -1.469 37.465 39.000 -0.109 0.000 1.019 308 F HN 0.104 nan 8.300 nan 0.000 0.489 309 A N 0.002 122.751 122.820 -0.117 0.000 1.902 309 A HA -0.174 4.147 4.320 0.001 0.000 0.217 309 A C 2.038 179.707 177.584 0.143 0.000 1.181 309 A CA 1.422 53.447 52.037 -0.020 0.000 0.623 309 A CB -1.215 17.768 19.000 -0.028 0.000 0.818 309 A HN 0.478 nan 8.150 nan 0.000 0.443 310 W N -0.418 120.917 121.300 0.059 0.000 2.388 310 W HA -0.003 4.657 4.660 0.000 0.000 0.294 310 W C 2.742 179.264 176.519 0.006 0.000 1.212 310 W CA 0.672 58.042 57.345 0.042 0.000 1.271 310 W CB -1.224 28.232 29.460 -0.008 0.000 1.126 310 W HN 0.461 nan 8.180 nan 0.000 0.535 311 A N 0.361 123.275 122.820 0.156 0.000 1.933 311 A HA -0.141 4.179 4.320 0.001 0.000 0.218 311 A C 2.144 179.679 177.584 -0.082 0.000 1.175 311 A CA 1.395 53.444 52.037 0.021 0.000 0.628 311 A CB -0.985 17.998 19.000 -0.029 0.000 0.814 311 A HN 0.225 nan 8.150 nan 0.000 0.444 312 L N -0.574 120.544 121.223 -0.175 0.000 2.141 312 L HA -0.148 4.193 4.340 0.001 0.000 0.209 312 L C 1.725 178.617 176.870 0.037 0.000 1.094 312 L CA 1.192 55.852 54.840 -0.300 0.000 0.763 312 L CB -0.699 40.802 42.059 -0.930 0.000 0.908 312 L HN 0.296 nan 8.230 nan 0.000 0.437 313 D N -0.208 120.347 120.400 0.259 0.000 2.178 313 D HA -0.110 4.531 4.640 0.001 0.000 0.202 313 D C 2.329 178.753 176.300 0.207 0.000 0.974 313 D CA 0.892 55.112 54.000 0.368 0.000 0.841 313 D CB 0.093 41.115 40.800 0.369 0.000 0.953 313 D HN 0.110 nan 8.370 nan 0.000 0.478 314 V N 1.041 121.033 119.914 0.130 0.000 2.379 314 V HA -0.171 3.950 4.120 0.001 0.000 0.245 314 V C 2.403 178.529 176.094 0.055 0.000 1.044 314 V CA 0.773 63.118 62.300 0.075 0.000 1.036 314 V CB -0.307 31.544 31.823 0.047 0.000 0.664 314 V HN 0.127 nan 8.190 nan 0.000 0.453 315 L N 1.046 122.283 121.223 0.024 0.000 2.012 315 L HA -0.133 4.207 4.340 0.001 0.000 0.210 315 L C 2.444 179.352 176.870 0.063 0.000 1.073 315 L CA 2.539 57.369 54.840 -0.016 0.000 0.748 315 L CB -0.958 41.020 42.059 -0.136 0.000 0.891 315 L HN 0.230 nan 8.230 nan 0.000 0.431 316 A N -0.615 122.325 122.820 0.199 0.000 1.873 316 A HA -0.263 4.058 4.320 0.001 0.000 0.215 316 A C 2.430 180.108 177.584 0.157 0.000 1.186 316 A CA 1.940 54.145 52.037 0.280 0.000 0.616 316 A CB -0.655 18.614 19.000 0.447 0.000 0.823 316 A HN 0.515 nan 8.150 nan 0.000 0.442 317 K N -0.648 119.829 120.400 0.128 0.000 2.009 317 K HA -0.204 4.117 4.320 0.001 0.000 0.210 317 K C 2.246 178.872 176.600 0.042 0.000 1.049 317 K CA 1.580 57.913 56.287 0.077 0.000 0.929 317 K CB -0.152 32.388 32.500 0.066 0.000 0.714 317 K HN 0.266 nan 8.250 nan 0.000 0.440 318 R N 0.510 121.030 120.500 0.033 0.000 2.081 318 R HA -0.100 4.240 4.340 0.001 0.000 0.235 318 R C 2.329 178.615 176.300 -0.024 0.000 1.131 318 R CA 1.319 57.422 56.100 0.005 0.000 0.960 318 R CB -0.638 29.666 30.300 0.007 0.000 0.856 318 R HN 0.358 nan 8.270 nan 0.000 0.436 319 L N 1.067 122.281 121.223 -0.016 0.000 2.341 319 L HA 0.035 4.376 4.340 0.001 0.000 0.214 319 L C 2.631 179.482 176.870 -0.033 0.000 1.115 319 L CA 0.477 55.293 54.840 -0.040 0.000 0.820 319 L CB -0.356 41.686 42.059 -0.027 0.000 0.944 319 L HN 0.177 nan 8.230 nan 0.000 0.452 320 R N 0.464 120.965 120.500 0.001 0.000 2.115 320 R HA -0.101 4.240 4.340 0.001 0.000 0.230 320 R C 1.940 178.202 176.300 -0.063 0.000 1.111 320 R CA 1.697 57.795 56.100 -0.003 0.000 0.976 320 R CB -0.639 29.681 30.300 0.033 0.000 0.870 320 R HN 0.355 nan 8.270 nan 0.000 0.445 321 S N -0.153 115.491 115.700 -0.094 0.000 2.575 321 S HA 0.202 4.672 4.470 0.001 0.000 0.215 321 S C 0.921 175.294 174.600 -0.378 0.000 0.966 321 S CA -0.521 57.580 58.200 -0.166 0.000 0.911 321 S CB -0.027 63.125 63.200 -0.081 0.000 0.780 321 S HN 0.157 nan 8.310 nan 0.000 0.514 322 M N 2.848 122.262 119.600 -0.310 0.000 2.242 322 M HA 0.219 4.700 4.480 0.001 0.000 0.344 322 M C -0.271 175.756 176.300 -0.454 0.000 1.140 322 M CA 0.095 55.185 55.300 -0.351 0.000 1.160 322 M CB 0.403 32.871 32.600 -0.220 0.000 1.491 322 M HN 0.244 nan 8.290 nan 0.000 0.459 323 H N 2.229 121.298 119.070 -0.002 0.000 2.623 323 H HA 0.381 4.938 4.556 0.001 0.000 0.299 323 H C -1.011 174.244 175.328 -0.122 0.000 1.052 323 H CA -0.433 55.578 56.048 -0.061 0.000 1.231 323 H CB 0.513 30.340 29.762 0.110 0.000 1.389 323 H HN 0.318 nan 8.280 nan 0.000 0.469 324 V N 5.325 125.099 119.914 -0.233 0.000 2.427 324 V HA 0.300 4.421 4.120 0.001 0.000 0.286 324 V C -0.334 175.505 176.094 -0.424 0.000 1.034 324 V CA -0.465 61.732 62.300 -0.171 0.000 0.893 324 V CB 0.689 32.464 31.823 -0.080 0.000 0.982 324 V HN 0.454 nan 8.190 nan 0.000 0.452 325 F N 4.422 124.421 119.950 0.082 0.000 2.540 325 F HA 0.603 5.131 4.527 0.001 0.000 0.317 325 F C -0.200 175.633 175.800 0.055 0.000 1.104 325 F CA -0.911 57.126 58.000 0.062 0.000 0.913 325 F CB 1.717 40.749 39.000 0.053 0.000 1.170 325 F HN 0.162 nan 8.300 nan 0.000 0.450 326 I N 4.437 125.122 120.570 0.192 0.000 2.331 326 I HA 0.288 4.458 4.170 0.001 0.000 0.292 326 I C -0.601 175.564 176.117 0.080 0.000 0.998 326 I CA -0.722 60.653 61.300 0.125 0.000 1.267 326 I CB 1.229 39.281 38.000 0.086 0.000 1.386 326 I HN 0.391 nan 8.210 nan 0.000 0.476 327 L N 6.731 127.973 121.223 0.032 0.000 2.287 327 L HA 0.443 4.784 4.340 0.001 0.000 0.287 327 L C -0.300 176.470 176.870 -0.167 0.000 1.022 327 L CA -0.164 54.602 54.840 -0.124 0.000 0.814 327 L CB 1.111 43.001 42.059 -0.282 0.000 1.217 327 L HN 0.417 nan 8.230 nan 0.000 0.420 328 D N 3.360 123.669 120.400 -0.152 0.000 2.336 328 D HA 0.054 4.694 4.640 0.001 0.000 0.249 328 D C 0.059 176.262 176.300 -0.162 0.000 1.213 328 D CA 0.359 54.308 54.000 -0.085 0.000 0.870 328 D CB 0.482 41.257 40.800 -0.042 0.000 1.076 328 D HN 0.523 nan 8.370 nan 0.000 0.483 329 Y N 1.266 121.547 120.300 -0.033 0.000 2.466 329 Y HA 0.071 4.621 4.550 0.001 0.000 0.272 329 Y C 0.981 176.856 175.900 -0.042 0.000 1.169 329 Y CA -0.136 57.936 58.100 -0.046 0.000 1.285 329 Y CB 0.398 38.809 38.460 -0.081 0.000 1.078 329 Y HN 0.342 nan 8.280 nan 0.000 0.523 330 D N 1.993 122.442 120.400 0.081 0.000 2.688 330 D HA 0.090 4.731 4.640 0.001 0.000 0.228 330 D C -0.362 175.953 176.300 0.025 0.000 1.116 330 D CA 0.207 54.236 54.000 0.049 0.000 1.023 330 D CB -0.526 40.296 40.800 0.036 0.000 1.100 330 D HN 0.529 nan 8.370 nan 0.000 0.487 331 Q N -1.148 118.668 119.800 0.027 0.000 2.874 331 Q HA 0.252 4.592 4.340 0.001 0.000 0.303 331 Q C -0.914 175.095 176.000 0.016 0.000 0.876 331 Q CA -1.065 54.744 55.803 0.009 0.000 0.765 331 Q CB 0.024 28.755 28.738 -0.012 0.000 1.478 331 Q HN 0.080 nan 8.270 nan 0.000 0.434 332 S N -0.416 115.288 115.700 0.006 0.000 2.576 332 S HA 0.197 4.667 4.470 0.001 0.000 0.272 332 S C -1.801 172.804 174.600 0.007 0.000 1.352 332 S CA -0.291 57.914 58.200 0.008 0.000 1.021 332 S CB 0.304 63.505 63.200 0.001 0.000 0.887 332 S HN 0.581 nan 8.310 nan 0.000 0.542 333 P HA -0.125 nan 4.420 nan 0.000 0.216 333 P C 1.495 178.790 177.300 -0.008 0.000 1.154 333 P CA 2.073 65.181 63.100 0.014 0.000 0.865 333 P CB -0.280 31.429 31.700 0.014 0.000 0.789 334 A N -0.547 122.265 122.820 -0.014 0.000 1.968 334 A HA 0.025 4.345 4.320 0.001 0.000 0.217 334 A C 2.463 180.027 177.584 -0.034 0.000 1.169 334 A CA 1.745 53.767 52.037 -0.025 0.000 0.638 334 A CB -1.716 17.271 19.000 -0.021 0.000 0.812 334 A HN 0.276 nan 8.150 nan 0.000 0.446 335 G N -0.519 108.262 108.800 -0.031 0.000 2.433 335 G HA2 -0.267 3.693 3.960 0.001 0.000 0.216 335 G HA3 -0.267 3.693 3.960 0.001 0.000 0.216 335 G C 1.607 176.466 174.900 -0.068 0.000 1.186 335 G CA 1.338 46.413 45.100 -0.042 0.000 0.779 335 G HN 0.503 nan 8.290 nan 0.000 0.543 336 C N 0.144 119.398 119.300 -0.077 0.000 2.413 336 C HA -0.007 4.454 4.460 0.001 0.000 0.276 336 C C 2.841 177.754 174.990 -0.128 0.000 1.236 336 C CA 0.910 59.842 59.018 -0.143 0.000 1.735 336 C CB -0.822 26.843 27.740 -0.125 0.000 2.031 336 C HN 0.460 nan 8.230 nan 0.000 0.474 337 R N 1.317 121.769 120.500 -0.081 0.000 2.083 337 R HA -0.151 4.190 4.340 0.001 0.000 0.237 337 R C 1.655 177.908 176.300 -0.079 0.000 1.137 337 R CA 2.205 58.260 56.100 -0.075 0.000 0.951 337 R CB -0.905 29.360 30.300 -0.058 0.000 0.851 337 R HN 0.534 nan 8.270 nan 0.000 0.434 338 D N 0.269 120.627 120.400 -0.069 0.000 2.097 338 D HA -0.091 4.549 4.640 0.001 0.000 0.197 338 D C 1.864 178.119 176.300 -0.075 0.000 0.984 338 D CA 1.490 55.452 54.000 -0.064 0.000 0.826 338 D CB -0.514 40.256 40.800 -0.050 0.000 0.973 338 D HN 0.309 nan 8.370 nan 0.000 0.460 339 A N 1.384 124.153 122.820 -0.086 0.000 1.896 339 A HA -0.235 4.085 4.320 0.001 0.000 0.220 339 A C 2.223 179.742 177.584 -0.109 0.000 1.206 339 A CA 1.819 53.797 52.037 -0.098 0.000 0.647 339 A CB -1.043 17.878 19.000 -0.131 0.000 0.828 339 A HN 0.272 nan 8.150 nan 0.000 0.455 340 L N -1.083 120.063 121.223 -0.129 0.000 2.042 340 L HA -0.121 4.219 4.340 0.001 0.000 0.210 340 L C 2.242 179.044 176.870 -0.112 0.000 1.076 340 L CA 2.183 56.949 54.840 -0.123 0.000 0.749 340 L CB -0.607 41.383 42.059 -0.115 0.000 0.893 340 L HN 0.355 nan 8.230 nan 0.000 0.432 341 L N -0.787 120.377 121.223 -0.098 0.000 2.201 341 L HA -0.157 4.184 4.340 0.001 0.000 0.212 341 L C 2.402 179.217 176.870 -0.090 0.000 1.105 341 L CA 1.538 56.323 54.840 -0.092 0.000 0.775 341 L CB -0.733 41.280 42.059 -0.077 0.000 0.913 341 L HN 0.434 nan 8.230 nan 0.000 0.440 342 Q N -1.082 118.668 119.800 -0.083 0.000 2.245 342 Q HA -0.042 4.299 4.340 0.001 0.000 0.201 342 Q C 2.027 177.975 176.000 -0.087 0.000 0.955 342 Q CA 0.941 56.702 55.803 -0.071 0.000 0.870 342 Q CB 0.024 28.730 28.738 -0.053 0.000 0.945 342 Q HN 0.410 nan 8.270 nan 0.000 0.461 343 L N 0.520 121.674 121.223 -0.116 0.000 2.217 343 L HA -0.096 4.244 4.340 0.001 0.000 0.211 343 L C 2.439 179.125 176.870 -0.306 0.000 1.107 343 L CA 1.897 56.631 54.840 -0.176 0.000 0.783 343 L CB -1.224 40.727 42.059 -0.181 0.000 0.919 343 L HN 0.284 nan 8.230 nan 0.000 0.442 344 T N -5.121 109.290 114.554 -0.239 0.000 2.929 344 T HA -0.159 4.192 4.350 0.001 0.000 0.271 344 T C 2.055 176.640 174.700 -0.193 0.000 1.085 344 T CA 1.355 63.310 62.100 -0.241 0.000 1.125 344 T CB -0.486 68.289 68.868 -0.155 0.000 0.874 344 T HN 0.209 nan 8.240 nan 0.000 0.494 345 S N 1.393 117.010 115.700 -0.138 0.000 2.400 345 S HA 0.033 4.503 4.470 0.001 0.000 0.232 345 S C 2.090 176.649 174.600 -0.069 0.000 1.025 345 S CA 1.180 59.329 58.200 -0.085 0.000 0.993 345 S CB -0.719 62.449 63.200 -0.054 0.000 0.808 345 S HN 0.813 nan 8.310 nan 0.000 0.478 346 G N 0.081 108.834 108.800 -0.078 0.000 3.189 346 G HA2 0.348 4.309 3.960 0.001 0.000 0.225 346 G HA3 0.348 4.309 3.960 0.001 0.000 0.225 346 G C 0.203 175.133 174.900 0.050 0.000 1.159 346 G CA -0.367 44.750 45.100 0.028 0.000 0.763 346 G HN 0.314 nan 8.290 nan 0.000 0.549 347 M N 0.904 120.417 119.600 -0.145 0.000 2.255 347 M HA 0.274 4.754 4.480 0.001 0.000 0.336 347 M C -0.249 176.032 176.300 -0.032 0.000 1.135 347 M CA -0.294 54.950 55.300 -0.092 0.000 1.145 347 M CB 2.081 34.527 32.600 -0.255 0.000 1.473 347 M HN -0.250 nan 8.290 nan 0.000 0.462 348 V N 3.036 122.937 119.914 -0.021 0.000 2.461 348 V HA 0.157 4.277 4.120 0.001 0.000 0.275 348 V C 0.087 176.189 176.094 0.013 0.000 1.047 348 V CA -0.542 61.729 62.300 -0.048 0.000 0.955 348 V CB 0.813 32.546 31.823 -0.150 0.000 0.988 348 V HN 0.787 nan 8.190 nan 0.000 0.471 349 Q N 2.506 122.297 119.800 -0.015 0.000 2.221 349 Q HA 0.651 4.992 4.340 0.001 0.000 0.242 349 Q C 0.107 176.091 176.000 -0.027 0.000 0.940 349 Q CA -0.532 55.257 55.803 -0.024 0.000 0.896 349 Q CB 1.953 30.650 28.738 -0.069 0.000 1.226 349 Q HN 0.918 nan 8.270 nan 0.000 0.463 350 T N -2.852 111.686 114.554 -0.026 0.000 2.901 350 T HA 0.388 4.739 4.350 0.001 0.000 0.293 350 T C -0.528 174.132 174.700 -0.067 0.000 1.084 350 T CA -0.914 61.182 62.100 -0.006 0.000 1.008 350 T CB 1.270 70.189 68.868 0.085 0.000 1.170 350 T HN 0.437 nan 8.240 nan 0.000 0.509 351 H N -0.081 119.023 119.070 0.058 0.000 2.505 351 H HA 0.547 5.103 4.556 0.001 0.000 0.355 351 H C 0.580 175.947 175.328 0.065 0.000 1.179 351 H CA -0.285 55.794 56.048 0.052 0.000 1.343 351 H CB 1.793 31.582 29.762 0.044 0.000 1.501 351 H HN 0.712 nan 8.280 nan 0.000 0.569 352 V N -0.202 119.830 119.914 0.196 0.000 3.134 352 V HA 0.194 4.315 4.120 0.001 0.000 0.313 352 V C 1.312 177.493 176.094 0.146 0.000 1.069 352 V CA -0.091 62.306 62.300 0.161 0.000 1.048 352 V CB 1.146 33.055 31.823 0.143 0.000 1.119 352 V HN 0.975 nan 8.190 nan 0.000 0.461 353 T N -1.385 113.247 114.554 0.129 0.000 2.976 353 T HA 0.126 4.476 4.350 0.001 0.000 0.257 353 T C 0.855 175.591 174.700 0.061 0.000 1.051 353 T CA 0.861 63.004 62.100 0.072 0.000 1.141 353 T CB -0.442 68.441 68.868 0.026 0.000 0.881 353 T HN 1.185 nan 8.240 nan 0.000 0.461 354 T N -0.711 113.899 114.554 0.093 0.000 2.942 354 T HA 0.545 4.895 4.350 0.001 0.000 0.289 354 T C -2.228 172.524 174.700 0.087 0.000 1.044 354 T CA -2.039 60.107 62.100 0.076 0.000 1.023 354 T CB 2.139 71.053 68.868 0.077 0.000 1.123 354 T HN -0.183 nan 8.240 nan 0.000 0.512 355 P HA 0.098 nan 4.420 nan 0.000 0.219 355 P C 1.300 178.633 177.300 0.056 0.000 1.150 355 P CA 0.894 64.026 63.100 0.054 0.000 0.814 355 P CB -0.360 31.363 31.700 0.038 0.000 0.787 356 G N -0.692 108.146 108.800 0.065 0.000 3.383 356 G HA2 0.049 4.009 3.960 0.001 0.000 0.251 356 G HA3 0.049 4.009 3.960 0.001 0.000 0.251 356 G C 1.258 176.205 174.900 0.078 0.000 1.203 356 G CA -0.016 45.120 45.100 0.060 0.000 0.852 356 G HN 0.128 nan 8.290 nan 0.000 0.531 357 S N 0.524 116.290 115.700 0.111 0.000 2.387 357 S HA -0.022 4.449 4.470 0.001 0.000 0.226 357 S C 2.369 176.941 174.600 -0.047 0.000 1.026 357 S CA 0.159 58.430 58.200 0.118 0.000 0.972 357 S CB -0.023 63.348 63.200 0.284 0.000 0.814 357 S HN 0.287 nan 8.310 nan 0.000 0.477 358 I N 2.245 122.810 120.570 -0.008 0.000 2.091 358 I HA -0.116 4.055 4.170 0.001 0.000 0.239 358 I C -0.790 175.292 176.117 -0.058 0.000 1.061 358 I CA 1.533 62.813 61.300 -0.033 0.000 1.317 358 I CB -2.865 35.129 38.000 -0.010 0.000 1.031 358 I HN 0.163 nan 8.210 nan 0.000 0.401 359 P HA -0.103 nan 4.420 nan 0.000 0.216 359 P C 1.774 179.039 177.300 -0.057 0.000 1.150 359 P CA 1.729 64.807 63.100 -0.037 0.000 0.837 359 P CB -0.220 31.471 31.700 -0.014 0.000 0.786 360 T N -0.466 114.039 114.554 -0.081 0.000 2.746 360 T HA -0.091 4.260 4.350 0.001 0.000 0.267 360 T C 1.796 176.395 174.700 -0.168 0.000 1.039 360 T CA 1.079 63.111 62.100 -0.113 0.000 1.142 360 T CB -0.879 67.908 68.868 -0.136 0.000 0.866 360 T HN 0.082 nan 8.240 nan 0.000 0.444 361 I N 0.673 121.106 120.570 -0.229 0.000 2.179 361 I HA -0.196 3.975 4.170 0.001 0.000 0.242 361 I C 2.743 178.786 176.117 -0.124 0.000 1.088 361 I CA 0.776 61.964 61.300 -0.188 0.000 1.357 361 I CB -0.531 37.367 38.000 -0.169 0.000 1.051 361 I HN 0.324 nan 8.210 nan 0.000 0.409 362 C N 0.863 120.103 119.300 -0.100 0.000 2.413 362 C HA -0.206 4.255 4.460 0.001 0.000 0.277 362 C C 2.533 177.486 174.990 -0.062 0.000 1.228 362 C CA 1.153 60.124 59.018 -0.079 0.000 1.731 362 C CB -1.030 26.675 27.740 -0.058 0.000 2.042 362 C HN 0.534 nan 8.230 nan 0.000 0.468 363 D N 0.511 120.882 120.400 -0.049 0.000 2.106 363 D HA -0.137 4.504 4.640 0.001 0.000 0.191 363 D C 2.040 178.329 176.300 -0.018 0.000 0.997 363 D CA 0.882 54.865 54.000 -0.028 0.000 0.834 363 D CB -0.791 39.998 40.800 -0.018 0.000 0.956 363 D HN 0.257 nan 8.370 nan 0.000 0.448 364 L N 1.187 122.395 121.223 -0.025 0.000 1.963 364 L HA -0.268 4.073 4.340 0.001 0.000 0.220 364 L C 2.262 179.141 176.870 0.014 0.000 1.076 364 L CA 2.327 57.170 54.840 0.006 0.000 0.772 364 L CB -1.288 40.764 42.059 -0.011 0.000 0.892 364 L HN 0.021 nan 8.230 nan 0.000 0.435 365 A N -0.232 122.548 122.820 -0.066 0.000 1.859 365 A HA -0.308 4.013 4.320 0.001 0.000 0.217 365 A C 2.293 179.850 177.584 -0.044 0.000 1.198 365 A CA 2.362 54.323 52.037 -0.126 0.000 0.629 365 A CB -0.669 18.210 19.000 -0.202 0.000 0.830 365 A HN 0.473 nan 8.150 nan 0.000 0.446 366 R N -0.753 119.727 120.500 -0.034 0.000 2.083 366 R HA -0.087 4.253 4.340 0.001 0.000 0.237 366 R C 2.377 178.688 176.300 0.018 0.000 1.137 366 R CA 2.184 58.277 56.100 -0.011 0.000 0.951 366 R CB -1.171 29.120 30.300 -0.015 0.000 0.851 366 R HN 0.616 nan 8.270 nan 0.000 0.434 367 T N 0.465 115.035 114.554 0.027 0.000 2.746 367 T HA -0.157 4.193 4.350 0.001 0.000 0.267 367 T C 1.426 176.155 174.700 0.048 0.000 1.039 367 T CA 1.417 63.533 62.100 0.027 0.000 1.142 367 T CB -0.398 68.484 68.868 0.023 0.000 0.866 367 T HN 0.162 nan 8.240 nan 0.000 0.444 368 F N 2.420 122.324 119.950 -0.076 0.000 2.075 368 F HA -0.009 4.518 4.527 0.001 0.000 0.297 368 F C 2.503 178.235 175.800 -0.114 0.000 1.113 368 F CA 0.965 58.909 58.000 -0.093 0.000 1.218 368 F CB -0.916 38.025 39.000 -0.100 0.000 0.984 368 F HN 0.146 nan 8.300 nan 0.000 0.472 369 A N 0.584 123.552 122.820 0.248 0.000 1.883 369 A HA -0.263 4.058 4.320 0.001 0.000 0.217 369 A C 2.448 180.039 177.584 0.012 0.000 1.186 369 A CA 2.033 54.128 52.037 0.097 0.000 0.624 369 A CB -0.965 18.038 19.000 0.006 0.000 0.822 369 A HN 0.497 nan 8.150 nan 0.000 0.444 370 R N -0.602 119.898 120.500 -0.000 0.000 2.092 370 R HA -0.123 4.217 4.340 0.001 0.000 0.231 370 R C 2.189 178.459 176.300 -0.050 0.000 1.119 370 R CA 1.707 57.794 56.100 -0.021 0.000 0.970 370 R CB -0.205 30.087 30.300 -0.014 0.000 0.864 370 R HN 0.731 nan 8.270 nan 0.000 0.440 371 E N -0.502 119.649 120.200 -0.081 0.000 2.086 371 E HA -0.083 4.267 4.350 0.001 0.000 0.190 371 E C 1.727 178.228 176.600 -0.165 0.000 0.975 371 E CA 0.866 57.197 56.400 -0.114 0.000 0.813 371 E CB 0.210 29.834 29.700 -0.126 0.000 0.768 371 E HN 0.328 nan 8.360 nan 0.000 0.457 372 M N -0.865 118.576 119.600 -0.265 0.000 2.571 372 M HA 0.194 4.674 4.480 0.001 0.000 0.259 372 M C 1.038 177.207 176.300 -0.219 0.000 1.205 372 M CA 0.279 55.387 55.300 -0.321 0.000 1.138 372 M CB 1.299 33.495 32.600 -0.675 0.000 1.329 372 M HN 0.003 nan 8.290 nan 0.000 0.503 373 G N 1.810 110.537 108.800 -0.121 0.000 3.161 373 G HA2 0.405 4.365 3.960 0.001 0.000 0.293 373 G HA3 0.405 4.365 3.960 0.001 0.000 0.293 373 G C -0.579 174.293 174.900 -0.047 0.000 0.893 373 G CA -0.063 44.995 45.100 -0.071 0.000 1.756 373 G HN 0.297 nan 8.290 nan 0.000 0.549 374 E N 0.000 120.166 120.200 -0.056 0.000 2.725 374 E HA 0.000 4.351 4.350 0.001 0.000 0.291 374 E CA 0.000 56.382 56.400 -0.030 0.000 0.976 374 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 374 E HN 0.000 nan 8.360 nan 0.000 0.440