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 3kz4_1_E DATA FIRST_RESID 1 DATA SEQUENCE MDVLYSLSKT LKDARDKIVE GTLYSNVSDL IQQFNQMIIT MNGNEFQTGG DATA SEQUENCE IGNLPIRNWN FDFGLLGTTL LNLDANYVET ARNTIDYFVD FVDNVCMDEM DATA SEQUENCE VRESQRNGIA PQSDSLRKLS GLKFKRINFD NSSEYIENWN LQNRRQRTGF DATA SEQUENCE TFHKPNIFPY SASFTLNRSQ PAHDNLMGTM WLNAGSEIQV AGFDYSCAIN DATA SEQUENCE APANTQQFEH IVQLRRVLTT ATITLLPDAE RFSFPRVINS ADGATTWYFN DATA SEQUENCE PVILRPNNVE VEFLLNGQII NTYQARFGTI IARNFDTIRL SFQLMRPPNM DATA SEQUENCE TPAVAALFPN AQPFEHHATV GLTLRIESAV CESVLADASE TMLANVTSVR DATA SEQUENCE QEYAIPVGPV FPPGMNWTDL ITNYSPSRED NLQRVFTVAS IRSMLVK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.177 176.300 -0.205 0.000 1.140 1 M CA 0.000 55.160 55.300 -0.234 0.000 0.988 1 M CB 0.000 32.317 32.600 -0.472 0.000 1.302 2 D N 1.605 121.887 120.400 -0.195 0.000 2.220 2 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 2 D C 1.661 177.996 176.300 0.058 0.000 1.001 2 D CA 2.136 56.094 54.000 -0.069 0.000 0.875 2 D CB -1.194 39.613 40.800 0.012 0.000 0.921 2 D HN 0.343 nan 8.370 nan 0.000 0.454 3 V N 0.654 120.590 119.914 0.038 0.000 2.217 3 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 3 V C 2.504 178.644 176.094 0.077 0.000 1.050 3 V CA 1.910 64.257 62.300 0.077 0.000 1.007 3 V CB -1.069 30.794 31.823 0.067 0.000 0.639 3 V HN 0.238 nan 8.190 nan 0.000 0.452 4 L N -0.513 120.729 121.223 0.032 0.000 2.077 4 L HA -0.322 4.018 4.340 -0.000 0.000 0.231 4 L C 2.242 179.152 176.870 0.066 0.000 1.100 4 L CA 2.841 57.695 54.840 0.023 0.000 0.819 4 L CB -1.248 40.796 42.059 -0.025 0.000 0.913 4 L HN 0.528 nan 8.230 nan 0.000 0.446 5 Y N 0.415 120.697 120.300 -0.029 0.000 1.956 5 Y HA -0.401 4.149 4.550 -0.000 0.000 0.258 5 Y C 2.772 178.705 175.900 0.056 0.000 1.152 5 Y CA 2.322 60.428 58.100 0.010 0.000 1.093 5 Y CB -1.168 37.300 38.460 0.014 0.000 0.945 5 Y HN 0.377 nan 8.280 nan 0.000 0.488 6 S N 0.807 116.496 115.700 -0.018 0.000 2.407 6 S HA -0.329 4.141 4.470 -0.000 0.000 0.244 6 S C 2.046 176.572 174.600 -0.124 0.000 1.077 6 S CA 2.240 60.399 58.200 -0.068 0.000 1.159 6 S CB -1.131 62.126 63.200 0.094 0.000 1.045 6 S HN 0.567 nan 8.310 nan 0.000 0.438 7 L N 0.879 122.076 121.223 -0.043 0.000 2.230 7 L HA -0.245 4.095 4.340 -0.000 0.000 0.217 7 L C 2.281 179.127 176.870 -0.041 0.000 1.090 7 L CA 1.204 56.039 54.840 -0.009 0.000 0.771 7 L CB -0.886 41.197 42.059 0.039 0.000 0.892 7 L HN 0.270 nan 8.230 nan 0.000 0.438 8 S N -0.486 115.142 115.700 -0.120 0.000 2.357 8 S HA -0.061 4.409 4.470 -0.000 0.000 0.209 8 S C 1.798 176.302 174.600 -0.159 0.000 1.023 8 S CA 0.388 58.513 58.200 -0.126 0.000 0.933 8 S CB -0.103 63.021 63.200 -0.128 0.000 0.897 8 S HN 0.164 nan 8.310 nan 0.000 0.529 9 K N 1.671 121.908 120.400 -0.272 0.000 2.366 9 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 9 K C 1.784 178.329 176.600 -0.092 0.000 1.045 9 K CA 1.480 57.681 56.287 -0.144 0.000 0.934 9 K CB -0.781 31.643 32.500 -0.126 0.000 0.746 9 K HN 0.269 nan 8.250 nan 0.000 0.470 10 T N 0.642 115.093 114.554 -0.171 0.000 2.639 10 T HA -0.074 4.276 4.350 -0.000 0.000 0.261 10 T C 1.592 176.206 174.700 -0.143 0.000 1.053 10 T CA 1.656 63.625 62.100 -0.218 0.000 1.158 10 T CB -0.179 68.597 68.868 -0.155 0.000 0.863 10 T HN 0.151 nan 8.240 nan 0.000 0.413 11 L N 0.810 121.975 121.223 -0.096 0.000 2.017 11 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 11 L C 2.717 179.531 176.870 -0.093 0.000 1.073 11 L CA 1.478 56.262 54.840 -0.094 0.000 0.745 11 L CB -0.640 41.395 42.059 -0.039 0.000 0.894 11 L HN 0.230 nan 8.230 nan 0.000 0.432 12 K N 0.810 121.169 120.400 -0.069 0.000 1.978 12 K HA -0.239 4.081 4.320 -0.000 0.000 0.214 12 K C 1.455 178.026 176.600 -0.048 0.000 1.049 12 K CA 2.221 58.478 56.287 -0.048 0.000 0.939 12 K CB -0.207 32.274 32.500 -0.030 0.000 0.721 12 K HN 0.112 nan 8.250 nan 0.000 0.441 13 D N -0.224 120.157 120.400 -0.033 0.000 2.411 13 D HA -0.074 4.566 4.640 -0.000 0.000 0.226 13 D C 0.827 177.086 176.300 -0.067 0.000 0.988 13 D CA 0.743 54.734 54.000 -0.014 0.000 0.938 13 D CB 0.249 41.084 40.800 0.058 0.000 0.883 13 D HN 0.401 nan 8.370 nan 0.000 0.525 14 A N -0.275 122.478 122.820 -0.112 0.000 2.106 14 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 14 A C 1.920 179.414 177.584 -0.149 0.000 1.718 14 A CA 0.082 52.012 52.037 -0.179 0.000 0.768 14 A CB -0.251 18.583 19.000 -0.276 0.000 1.321 14 A HN 0.073 nan 8.150 nan 0.000 0.567 15 R N -0.033 120.389 120.500 -0.130 0.000 2.371 15 R HA -0.151 4.189 4.340 -0.000 0.000 0.226 15 R C 0.394 176.654 176.300 -0.066 0.000 1.132 15 R CA 1.667 57.709 56.100 -0.096 0.000 1.027 15 R CB -0.150 30.107 30.300 -0.070 0.000 0.848 15 R HN 0.524 nan 8.270 nan 0.000 0.479 16 D N -0.613 119.750 120.400 -0.061 0.000 2.431 16 D HA -0.010 4.630 4.640 -0.000 0.000 0.235 16 D C 0.939 177.217 176.300 -0.035 0.000 0.980 16 D CA 0.715 54.692 54.000 -0.039 0.000 0.912 16 D CB 0.162 40.946 40.800 -0.027 0.000 1.056 16 D HN 0.142 nan 8.370 nan 0.000 0.494 17 K N 0.317 120.690 120.400 -0.045 0.000 2.444 17 K HA 0.221 4.541 4.320 -0.000 0.000 0.193 17 K C 0.055 176.637 176.600 -0.031 0.000 1.024 17 K CA 0.090 56.357 56.287 -0.034 0.000 1.077 17 K CB 0.735 33.215 32.500 -0.034 0.000 0.833 17 K HN 0.074 nan 8.250 nan 0.000 0.517 18 I N 1.915 122.459 120.570 -0.043 0.000 2.460 18 I HA 0.103 4.273 4.170 -0.000 0.000 0.277 18 I C -0.707 175.405 176.117 -0.009 0.000 1.057 18 I CA -0.825 60.462 61.300 -0.022 0.000 1.179 18 I CB 1.235 39.192 38.000 -0.071 0.000 1.329 18 I HN -0.261 nan 8.210 nan 0.000 0.478 19 V N 0.964 120.887 119.914 0.015 0.000 2.925 19 V HA 0.471 4.591 4.120 -0.000 0.000 0.311 19 V C 0.040 176.154 176.094 0.033 0.000 1.104 19 V CA -1.084 61.225 62.300 0.015 0.000 0.954 19 V CB 1.833 33.659 31.823 0.004 0.000 1.022 19 V HN 0.654 nan 8.190 nan 0.000 0.427 20 E N 1.464 121.683 120.200 0.031 0.000 2.924 20 E HA 0.285 4.635 4.350 -0.000 0.000 0.236 20 E C 0.984 177.601 176.600 0.028 0.000 1.028 20 E CA 1.512 57.934 56.400 0.036 0.000 0.952 20 E CB -0.550 29.165 29.700 0.024 0.000 0.918 20 E HN 1.390 nan 8.360 nan 0.000 0.536 21 G N 3.145 111.964 108.800 0.032 0.000 2.169 21 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.173 21 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.173 21 G C 0.366 175.281 174.900 0.024 0.000 2.429 21 G CA -0.201 44.912 45.100 0.022 0.000 1.467 21 G HN 0.754 nan 8.290 nan 0.000 0.454 22 T N 1.581 116.149 114.554 0.024 0.000 2.622 22 T HA -0.014 4.336 4.350 -0.000 0.000 0.250 22 T C 0.630 175.350 174.700 0.033 0.000 0.999 22 T CA 1.019 63.133 62.100 0.023 0.000 1.179 22 T CB -0.170 68.710 68.868 0.021 0.000 1.043 22 T HN 1.165 nan 8.240 nan 0.000 0.438 23 L N 5.507 126.746 121.223 0.026 0.000 2.397 23 L HA 0.273 4.613 4.340 -0.000 0.000 0.271 23 L C 1.217 178.124 176.870 0.063 0.000 1.148 23 L CA -0.796 54.069 54.840 0.042 0.000 0.825 23 L CB 0.533 42.607 42.059 0.024 0.000 1.117 23 L HN 0.936 nan 8.230 nan 0.000 0.456 24 Y N 2.409 122.688 120.300 -0.034 0.000 2.070 24 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 24 Y C 2.507 178.398 175.900 -0.015 0.000 1.148 24 Y CA 1.981 60.060 58.100 -0.035 0.000 1.125 24 Y CB -0.457 37.969 38.460 -0.057 0.000 0.975 24 Y HN 0.788 nan 8.280 nan 0.000 0.492 25 S N 0.459 116.078 115.700 -0.135 0.000 2.672 25 S HA -0.145 4.325 4.470 -0.000 0.000 0.250 25 S C 0.821 175.317 174.600 -0.174 0.000 0.975 25 S CA 0.992 59.069 58.200 -0.206 0.000 0.971 25 S CB -0.866 62.306 63.200 -0.046 0.000 0.765 25 S HN 0.610 nan 8.310 nan 0.000 0.543 26 N N 0.863 119.461 118.700 -0.168 0.000 2.220 26 N HA 0.109 4.849 4.740 -0.000 0.000 0.195 26 N C 1.162 176.594 175.510 -0.131 0.000 1.123 26 N CA 0.873 53.859 53.050 -0.105 0.000 0.874 26 N CB 0.830 39.282 38.487 -0.058 0.000 0.995 26 N HN 0.617 nan 8.380 nan 0.000 0.498 27 V N -2.409 117.360 119.914 -0.241 0.000 3.398 27 V HA 0.214 4.334 4.120 -0.000 0.000 0.298 27 V C 2.002 177.900 176.094 -0.328 0.000 1.496 27 V CA 0.476 62.641 62.300 -0.225 0.000 1.044 27 V CB 0.061 31.789 31.823 -0.157 0.000 0.880 27 V HN 0.106 nan 8.190 nan 0.000 0.443 28 S N 1.451 116.839 115.700 -0.520 0.000 2.359 28 S HA -0.316 4.154 4.470 -0.000 0.000 0.223 28 S C 1.530 176.049 174.600 -0.135 0.000 1.039 28 S CA 2.147 60.085 58.200 -0.436 0.000 1.042 28 S CB -0.968 62.032 63.200 -0.332 0.000 0.915 28 S HN 0.643 nan 8.310 nan 0.000 0.439 29 D N 1.029 121.377 120.400 -0.086 0.000 2.309 29 D HA 0.005 4.645 4.640 -0.000 0.000 0.212 29 D C 1.739 178.059 176.300 0.033 0.000 0.968 29 D CA 0.772 54.772 54.000 0.001 0.000 0.882 29 D CB -0.198 40.614 40.800 0.021 0.000 0.918 29 D HN 0.392 nan 8.370 nan 0.000 0.503 30 L N 0.589 121.806 121.223 -0.011 0.000 2.185 30 L HA -0.036 4.304 4.340 -0.000 0.000 0.198 30 L C 2.006 178.878 176.870 0.004 0.000 1.079 30 L CA 0.787 55.623 54.840 -0.008 0.000 0.780 30 L CB -0.512 41.524 42.059 -0.038 0.000 0.955 30 L HN -0.206 nan 8.230 nan 0.000 0.462 31 I N 0.231 120.812 120.570 0.018 0.000 2.093 31 I HA -0.384 3.786 4.170 -0.000 0.000 0.239 31 I C 2.547 178.752 176.117 0.148 0.000 1.026 31 I CA 1.470 62.840 61.300 0.116 0.000 1.295 31 I CB -1.851 36.272 38.000 0.204 0.000 1.007 31 I HN 0.438 nan 8.210 nan 0.000 0.401 32 Q N 0.334 120.196 119.800 0.104 0.000 1.914 32 Q HA -0.348 3.992 4.340 -0.000 0.000 0.222 32 Q C 2.162 178.192 176.000 0.051 0.000 1.031 32 Q CA 2.738 58.589 55.803 0.079 0.000 0.886 32 Q CB -0.970 27.805 28.738 0.063 0.000 0.982 32 Q HN 0.646 nan 8.270 nan 0.000 0.417 33 Q N 0.141 119.957 119.800 0.028 0.000 2.124 33 Q HA -0.248 4.092 4.340 -0.000 0.000 0.215 33 Q C 1.790 177.755 176.000 -0.059 0.000 1.015 33 Q CA 2.390 58.172 55.803 -0.034 0.000 0.890 33 Q CB -0.885 27.767 28.738 -0.143 0.000 0.966 33 Q HN 0.351 nan 8.270 nan 0.000 0.412 34 F N 1.119 120.965 119.950 -0.174 0.000 2.000 34 F HA -0.309 4.218 4.527 -0.000 0.000 0.296 34 F C 1.911 177.628 175.800 -0.138 0.000 1.159 34 F CA 2.430 60.319 58.000 -0.185 0.000 1.183 34 F CB -1.036 37.864 39.000 -0.168 0.000 0.959 34 F HN 0.251 nan 8.300 nan 0.000 0.490 35 N N 0.406 118.994 118.700 -0.186 0.000 2.058 35 N HA -0.375 4.365 4.740 -0.000 0.000 0.200 35 N C 1.855 177.207 175.510 -0.263 0.000 1.033 35 N CA 2.088 54.987 53.050 -0.252 0.000 0.880 35 N CB -1.066 37.403 38.487 -0.030 0.000 1.069 35 N HN 0.455 nan 8.380 nan 0.000 0.461 36 Q N 1.140 120.848 119.800 -0.152 0.000 2.188 36 Q HA -0.249 4.091 4.340 -0.000 0.000 0.217 36 Q C 2.019 177.912 176.000 -0.179 0.000 1.018 36 Q CA 2.234 57.962 55.803 -0.124 0.000 0.910 36 Q CB -0.551 28.140 28.738 -0.078 0.000 0.979 36 Q HN 0.541 nan 8.270 nan 0.000 0.413 37 M N -0.539 118.905 119.600 -0.260 0.000 2.200 37 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 37 M C 1.979 178.118 176.300 -0.269 0.000 1.074 37 M CA 2.399 57.536 55.300 -0.271 0.000 1.098 37 M CB -0.365 32.023 32.600 -0.353 0.000 1.268 37 M HN 0.426 nan 8.290 nan 0.000 0.432 38 I N 0.727 121.070 120.570 -0.379 0.000 2.178 38 I HA -0.450 3.720 4.170 -0.000 0.000 0.243 38 I C 2.350 178.396 176.117 -0.119 0.000 1.019 38 I CA 2.177 63.333 61.300 -0.241 0.000 1.294 38 I CB -1.115 36.715 38.000 -0.285 0.000 0.996 38 I HN 0.486 nan 8.210 nan 0.000 0.415 39 I N 0.470 120.961 120.570 -0.132 0.000 2.052 39 I HA -0.335 3.835 4.170 -0.000 0.000 0.235 39 I C 2.673 178.714 176.117 -0.126 0.000 1.046 39 I CA 2.327 63.572 61.300 -0.092 0.000 1.308 39 I CB -1.025 36.923 38.000 -0.087 0.000 1.031 39 I HN 0.292 nan 8.210 nan 0.000 0.395 40 T N 1.137 115.581 114.554 -0.182 0.000 2.714 40 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 40 T C 1.773 176.253 174.700 -0.366 0.000 1.036 40 T CA 1.573 63.503 62.100 -0.284 0.000 1.148 40 T CB -0.175 68.495 68.868 -0.329 0.000 0.856 40 T HN 0.181 nan 8.240 nan 0.000 0.462 41 M N 1.181 120.599 119.600 -0.304 0.000 2.085 41 M HA 0.078 4.558 4.480 -0.000 0.000 0.258 41 M C 0.869 177.051 176.300 -0.197 0.000 1.089 41 M CA 0.694 55.770 55.300 -0.373 0.000 1.123 41 M CB -1.559 30.818 32.600 -0.372 0.000 1.284 41 M HN 0.115 nan 8.290 nan 0.000 0.421 42 N N 1.874 120.591 118.700 0.028 0.000 1.923 42 N HA 0.003 4.743 4.740 -0.000 0.000 0.305 42 N C 0.853 176.418 175.510 0.091 0.000 1.339 42 N CA 1.410 54.568 53.050 0.180 0.000 0.825 42 N CB -0.350 38.244 38.487 0.178 0.000 1.095 42 N HN 0.716 nan 8.380 nan 0.000 0.498 43 G N 1.326 110.211 108.800 0.141 0.000 2.155 43 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.135 43 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.135 43 G C -0.463 174.500 174.900 0.106 0.000 1.023 43 G CA -0.650 44.511 45.100 0.101 0.000 0.688 43 G HN 0.606 nan 8.290 nan 0.000 0.499 44 N N 0.193 118.987 118.700 0.157 0.000 2.277 44 N HA 0.433 5.173 4.740 -0.000 0.000 0.286 44 N C -1.100 174.642 175.510 0.387 0.000 1.140 44 N CA -0.511 52.676 53.050 0.229 0.000 0.799 44 N CB 1.936 40.600 38.487 0.294 0.000 1.596 44 N HN 0.364 nan 8.380 nan 0.000 0.473 45 E N 0.937 121.331 120.200 0.323 0.000 2.199 45 E HA 0.519 4.869 4.350 -0.000 0.000 0.269 45 E C -1.042 175.737 176.600 0.298 0.000 0.899 45 E CA -0.476 56.154 56.400 0.384 0.000 0.772 45 E CB 1.761 31.582 29.700 0.203 0.000 1.155 45 E HN 0.287 nan 8.360 nan 0.000 0.408 46 F N 1.067 121.206 119.950 0.316 0.000 2.577 46 F HA 0.367 4.894 4.527 -0.000 0.000 0.318 46 F C -0.131 175.916 175.800 0.411 0.000 1.065 46 F CA -0.757 57.460 58.000 0.360 0.000 0.929 46 F CB 2.146 41.428 39.000 0.469 0.000 1.237 46 F HN 0.279 nan 8.300 nan 0.000 0.468 47 Q N 1.393 121.455 119.800 0.437 0.000 2.305 47 Q HA 0.601 4.941 4.340 -0.000 0.000 0.271 47 Q C -1.519 174.650 176.000 0.283 0.000 1.046 47 Q CA -0.638 55.351 55.803 0.310 0.000 0.798 47 Q CB 2.370 31.192 28.738 0.141 0.000 1.286 47 Q HN 0.854 nan 8.270 nan 0.000 0.435 48 T N 0.160 114.887 114.554 0.287 0.000 2.907 48 T HA 0.915 5.265 4.350 -0.000 0.000 0.292 48 T C 0.380 175.137 174.700 0.095 0.000 1.043 48 T CA 0.201 62.417 62.100 0.194 0.000 1.003 48 T CB 1.694 70.723 68.868 0.267 0.000 1.084 48 T HN 1.167 nan 8.240 nan 0.000 0.483 49 G N 0.232 109.054 108.800 0.035 0.000 2.587 49 G HA2 0.376 4.336 3.960 -0.000 0.000 0.212 49 G HA3 0.376 4.336 3.960 -0.000 0.000 0.212 49 G C 0.408 175.312 174.900 0.006 0.000 1.327 49 G CA 0.347 45.446 45.100 -0.002 0.000 0.898 49 G HN 2.711 nan 8.290 nan 0.000 0.551 50 G N -1.348 107.453 108.800 0.001 0.000 2.467 50 G HA2 0.327 4.287 3.960 -0.000 0.000 0.242 50 G HA3 0.327 4.287 3.960 -0.000 0.000 0.242 50 G C -0.055 174.852 174.900 0.012 0.000 1.127 50 G CA 0.772 45.877 45.100 0.009 0.000 0.924 50 G HN 2.343 nan 8.290 nan 0.000 0.499 51 I N -0.578 120.000 120.570 0.014 0.000 2.744 51 I HA 0.503 4.673 4.170 -0.000 0.000 0.285 51 I C 0.831 176.970 176.117 0.038 0.000 1.530 51 I CA 0.547 61.862 61.300 0.025 0.000 1.064 51 I CB 1.150 39.164 38.000 0.024 0.000 1.429 51 I HN 1.923 nan 8.210 nan 0.000 0.425 52 G N 6.619 115.448 108.800 0.047 0.000 2.582 52 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.300 52 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.300 52 G C 0.140 175.084 174.900 0.073 0.000 1.300 52 G CA 0.537 45.675 45.100 0.064 0.000 0.959 52 G HN 0.793 nan 8.290 nan 0.000 0.548 53 N N 0.690 119.456 118.700 0.109 0.000 3.091 53 N HA 0.262 5.002 4.740 -0.000 0.000 0.301 53 N C -0.316 175.308 175.510 0.188 0.000 1.325 53 N CA 0.105 53.235 53.050 0.133 0.000 1.143 53 N CB 0.178 38.747 38.487 0.137 0.000 1.450 53 N HN 0.438 nan 8.380 nan 0.000 0.542 54 L N 1.107 122.377 121.223 0.078 0.000 2.298 54 L HA 0.543 4.883 4.340 -0.000 0.000 0.284 54 L C -2.344 174.503 176.870 -0.037 0.000 1.013 54 L CA -1.849 52.962 54.840 -0.049 0.000 0.824 54 L CB 1.284 43.255 42.059 -0.146 0.000 1.221 54 L HN -0.031 nan 8.230 nan 0.000 0.418 55 P HA 0.083 nan 4.420 nan 0.000 0.272 55 P C -0.193 177.090 177.300 -0.030 0.000 1.239 55 P CA 0.431 63.521 63.100 -0.017 0.000 0.807 55 P CB 0.382 32.078 31.700 -0.007 0.000 0.951 56 I N -1.041 119.508 120.570 -0.036 0.000 3.241 56 I HA 0.204 4.374 4.170 -0.000 0.000 0.333 56 I C 0.340 176.401 176.117 -0.093 0.000 1.534 56 I CA -0.400 60.880 61.300 -0.034 0.000 0.979 56 I CB 0.028 38.015 38.000 -0.022 0.000 1.497 56 I HN 0.163 nan 8.210 nan 0.000 0.530 57 R N 1.595 121.998 120.500 -0.162 0.000 2.566 57 R HA -0.003 4.337 4.340 -0.000 0.000 0.273 57 R C -0.131 175.784 176.300 -0.642 0.000 0.981 57 R CA 0.471 56.307 56.100 -0.439 0.000 1.091 57 R CB 0.090 30.031 30.300 -0.599 0.000 0.924 57 R HN 0.208 nan 8.270 nan 0.000 0.411 58 N N 1.188 119.469 118.700 -0.699 0.000 2.370 58 N HA 0.460 5.200 4.740 -0.000 0.000 0.303 58 N C -1.670 173.472 175.510 -0.614 0.000 1.103 58 N CA -0.548 52.208 53.050 -0.490 0.000 0.848 58 N CB 0.989 39.393 38.487 -0.138 0.000 1.235 58 N HN 0.295 nan 8.380 nan 0.000 0.496 59 W N 0.666 122.097 121.300 0.219 0.000 3.022 59 W HA 0.570 5.230 4.660 -0.000 0.000 0.335 59 W C -0.353 176.338 176.519 0.286 0.000 1.133 59 W CA -0.686 56.772 57.345 0.188 0.000 1.219 59 W CB 0.860 30.330 29.460 0.017 0.000 1.409 59 W HN 0.152 nan 8.180 nan 0.000 0.507 60 N N 0.739 119.694 118.700 0.425 0.000 2.380 60 N HA 0.629 5.369 4.740 -0.000 0.000 0.290 60 N C -1.826 173.844 175.510 0.266 0.000 1.236 60 N CA -0.624 52.677 53.050 0.418 0.000 0.780 60 N CB 2.064 40.697 38.487 0.243 0.000 1.438 60 N HN 0.195 nan 8.380 nan 0.000 0.491 61 F N -0.020 120.072 119.950 0.238 0.000 2.551 61 F HA 0.354 4.881 4.527 -0.000 0.000 0.316 61 F C -0.268 175.692 175.800 0.266 0.000 1.089 61 F CA -0.815 57.377 58.000 0.320 0.000 0.915 61 F CB 1.733 40.823 39.000 0.150 0.000 1.186 61 F HN 0.300 nan 8.300 nan 0.000 0.456 62 D N 2.374 123.072 120.400 0.496 0.000 2.732 62 D HA 0.290 4.930 4.640 -0.000 0.000 0.203 62 D C -1.764 174.543 176.300 0.012 0.000 1.342 62 D CA 0.065 54.184 54.000 0.198 0.000 1.190 62 D CB -0.009 40.797 40.800 0.011 0.000 1.406 62 D HN 0.133 nan 8.370 nan 0.000 0.597 63 F N 0.512 120.491 119.950 0.049 0.000 2.598 63 F HA 0.813 5.340 4.527 -0.000 0.000 0.327 63 F C 1.531 177.342 175.800 0.017 0.000 1.057 63 F CA -0.470 57.546 58.000 0.028 0.000 0.957 63 F CB 1.328 40.365 39.000 0.062 0.000 1.278 63 F HN 0.145 nan 8.300 nan 0.000 0.484 64 G N 0.159 109.072 108.800 0.190 0.000 2.514 64 G HA2 0.569 4.529 3.960 -0.000 0.000 0.245 64 G HA3 0.569 4.529 3.960 -0.000 0.000 0.245 64 G C -0.372 174.601 174.900 0.122 0.000 1.488 64 G CA -0.225 44.941 45.100 0.111 0.000 1.063 64 G HN 0.502 nan 8.290 nan 0.000 0.557 65 L N -2.434 118.848 121.223 0.097 0.000 3.096 65 L HA 0.610 4.950 4.340 -0.000 0.000 0.232 65 L C -0.971 175.976 176.870 0.128 0.000 1.743 65 L CA -0.746 54.155 54.840 0.102 0.000 1.753 65 L CB 0.881 42.984 42.059 0.073 0.000 1.881 65 L HN 0.242 nan 8.230 nan 0.000 0.538 66 L N -0.447 120.865 121.223 0.148 0.000 2.472 66 L HA 0.545 4.885 4.340 -0.000 0.000 0.260 66 L C -0.045 176.932 176.870 0.178 0.000 0.963 66 L CA -0.726 54.240 54.840 0.211 0.000 0.829 66 L CB 1.950 44.174 42.059 0.276 0.000 1.348 66 L HN 0.554 nan 8.230 nan 0.000 0.408 67 G N 0.047 108.958 108.800 0.186 0.000 2.744 67 G HA2 0.340 4.300 3.960 -0.000 0.000 0.257 67 G HA3 0.340 4.300 3.960 -0.000 0.000 0.257 67 G C 0.504 175.345 174.900 -0.098 0.000 1.244 67 G CA 0.685 45.786 45.100 0.002 0.000 0.916 67 G HN 0.749 nan 8.290 nan 0.000 0.564 68 T N -3.928 110.485 114.554 -0.235 0.000 3.488 68 T HA 0.306 4.656 4.350 -0.000 0.000 0.312 68 T C 0.672 175.032 174.700 -0.566 0.000 0.931 68 T CA 0.410 62.271 62.100 -0.398 0.000 0.982 68 T CB -0.134 68.666 68.868 -0.114 0.000 1.198 68 T HN 0.600 nan 8.240 nan 0.000 0.545 69 T N 1.827 116.101 114.554 -0.467 0.000 2.946 69 T HA 0.733 5.083 4.350 -0.000 0.000 0.295 69 T C -0.223 174.207 174.700 -0.451 0.000 1.143 69 T CA -1.046 60.837 62.100 -0.363 0.000 0.944 69 T CB 0.091 68.824 68.868 -0.224 0.000 1.800 69 T HN 0.466 nan 8.240 nan 0.000 0.590 70 L N 0.118 121.172 121.223 -0.282 0.000 2.728 70 L HA -0.142 4.198 4.340 -0.000 0.000 0.527 70 L C 0.876 177.647 176.870 -0.165 0.000 1.002 70 L CA -0.428 54.275 54.840 -0.230 0.000 1.273 70 L CB -0.602 41.274 42.059 -0.305 0.000 1.435 70 L HN 0.533 nan 8.230 nan 0.000 0.711 71 L N 3.163 124.339 121.223 -0.078 0.000 1.988 71 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 71 L C 1.195 178.073 176.870 0.013 0.000 1.071 71 L CA 2.077 56.911 54.840 -0.010 0.000 0.744 71 L CB -0.114 41.941 42.059 -0.007 0.000 0.893 71 L HN 0.763 nan 8.230 nan 0.000 0.433 72 N N -1.542 117.148 118.700 -0.016 0.000 2.485 72 N HA 0.479 5.219 4.740 -0.000 0.000 0.280 72 N C -1.237 174.251 175.510 -0.036 0.000 1.205 72 N CA -0.544 52.504 53.050 -0.004 0.000 0.959 72 N CB 0.792 39.277 38.487 -0.002 0.000 1.206 72 N HN -0.022 nan 8.380 nan 0.000 0.545 73 L N 1.011 122.229 121.223 -0.009 0.000 2.289 73 L HA 0.328 4.668 4.340 -0.000 0.000 0.285 73 L C -0.223 176.659 176.870 0.019 0.000 1.049 73 L CA -0.850 53.984 54.840 -0.010 0.000 0.804 73 L CB 0.705 42.810 42.059 0.078 0.000 1.195 73 L HN 0.636 nan 8.230 nan 0.000 0.428 74 D N 2.997 123.409 120.400 0.021 0.000 2.177 74 D HA 0.230 4.870 4.640 -0.000 0.000 0.247 74 D C 0.795 177.148 176.300 0.089 0.000 1.063 74 D CA -0.315 53.710 54.000 0.041 0.000 0.867 74 D CB 2.100 42.911 40.800 0.018 0.000 1.168 74 D HN 0.539 nan 8.370 nan 0.000 0.445 75 A N 4.084 126.939 122.820 0.059 0.000 1.923 75 A HA -0.417 3.903 4.320 -0.000 0.000 0.222 75 A C 1.954 179.577 177.584 0.065 0.000 1.258 75 A CA 2.648 54.717 52.037 0.053 0.000 0.670 75 A CB -1.397 17.622 19.000 0.030 0.000 0.834 75 A HN 0.814 nan 8.150 nan 0.000 0.470 76 N N -1.933 116.806 118.700 0.064 0.000 2.184 76 N HA -0.247 4.493 4.740 -0.000 0.000 0.190 76 N C 1.484 177.054 175.510 0.100 0.000 1.011 76 N CA 2.156 55.245 53.050 0.064 0.000 0.867 76 N CB -0.441 38.081 38.487 0.058 0.000 0.993 76 N HN 0.605 nan 8.380 nan 0.000 0.433 77 Y N 0.232 120.525 120.300 -0.011 0.000 2.200 77 Y HA -0.098 4.452 4.550 -0.000 0.000 0.290 77 Y C 2.055 177.945 175.900 -0.016 0.000 1.137 77 Y CA 1.236 59.328 58.100 -0.013 0.000 1.163 77 Y CB -0.549 37.903 38.460 -0.014 0.000 0.988 77 Y HN -0.045 nan 8.280 nan 0.000 0.518 78 V N 0.481 120.398 119.914 0.004 0.000 2.214 78 V HA -0.324 3.796 4.120 -0.000 0.000 0.244 78 V C 2.382 178.404 176.094 -0.119 0.000 1.045 78 V CA 2.265 64.510 62.300 -0.091 0.000 0.993 78 V CB -0.891 30.924 31.823 -0.013 0.000 0.633 78 V HN 0.285 nan 8.190 nan 0.000 0.449 79 E N 0.833 121.000 120.200 -0.055 0.000 2.164 79 E HA -0.281 4.069 4.350 -0.000 0.000 0.206 79 E C 2.295 178.860 176.600 -0.058 0.000 1.032 79 E CA 2.414 58.788 56.400 -0.043 0.000 0.832 79 E CB -0.812 28.878 29.700 -0.016 0.000 0.742 79 E HN 0.873 nan 8.360 nan 0.000 0.460 80 T N -2.272 112.235 114.554 -0.077 0.000 3.113 80 T HA 0.222 4.572 4.350 -0.000 0.000 0.263 80 T C 1.651 176.283 174.700 -0.113 0.000 1.143 80 T CA 0.946 63.002 62.100 -0.074 0.000 1.090 80 T CB 0.207 69.039 68.868 -0.060 0.000 0.922 80 T HN 0.177 nan 8.240 nan 0.000 0.521 81 A N 1.626 124.336 122.820 -0.183 0.000 1.938 81 A HA 0.365 4.685 4.320 -0.000 0.000 0.207 81 A C 2.455 179.959 177.584 -0.133 0.000 1.292 81 A CA 0.090 51.997 52.037 -0.217 0.000 0.700 81 A CB -0.294 18.473 19.000 -0.389 0.000 0.947 81 A HN 0.330 nan 8.150 nan 0.000 0.476 82 R N 0.410 120.842 120.500 -0.113 0.000 2.117 82 R HA -0.170 4.170 4.340 -0.000 0.000 0.243 82 R C 2.041 178.340 176.300 -0.002 0.000 1.143 82 R CA 1.535 57.599 56.100 -0.061 0.000 0.968 82 R CB -0.322 29.951 30.300 -0.044 0.000 0.863 82 R HN 0.624 nan 8.270 nan 0.000 0.444 83 N N -0.022 118.683 118.700 0.009 0.000 2.289 83 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 83 N C 0.794 176.377 175.510 0.122 0.000 1.016 83 N CA 1.409 54.492 53.050 0.055 0.000 0.872 83 N CB 0.157 38.663 38.487 0.032 0.000 0.973 83 N HN 0.150 nan 8.380 nan 0.000 0.433 84 T N 0.374 114.995 114.554 0.112 0.000 3.051 84 T HA 0.231 4.581 4.350 -0.000 0.000 0.255 84 T C 1.953 176.754 174.700 0.167 0.000 1.085 84 T CA -0.021 62.204 62.100 0.208 0.000 1.109 84 T CB 0.451 69.423 68.868 0.173 0.000 0.921 84 T HN 0.182 nan 8.240 nan 0.000 0.488 85 I N 1.219 121.827 120.570 0.063 0.000 2.333 85 I HA -0.060 4.110 4.170 -0.000 0.000 0.246 85 I C 1.832 178.067 176.117 0.196 0.000 1.106 85 I CA 0.887 62.214 61.300 0.045 0.000 1.411 85 I CB -0.252 37.715 38.000 -0.056 0.000 1.082 85 I HN 0.060 nan 8.210 nan 0.000 0.420 86 D N 0.226 120.729 120.400 0.171 0.000 2.411 86 D HA -0.209 4.431 4.640 -0.000 0.000 0.226 86 D C 1.530 178.001 176.300 0.284 0.000 0.988 86 D CA 1.162 55.274 54.000 0.186 0.000 0.938 86 D CB 0.029 40.915 40.800 0.143 0.000 0.883 86 D HN 0.407 nan 8.370 nan 0.000 0.525 87 Y N -0.745 119.684 120.300 0.215 0.000 2.479 87 Y HA 0.035 4.585 4.550 -0.000 0.000 0.283 87 Y C 1.562 177.487 175.900 0.041 0.000 1.109 87 Y CA 0.382 58.578 58.100 0.160 0.000 1.239 87 Y CB -0.064 38.497 38.460 0.169 0.000 1.108 87 Y HN -0.210 nan 8.280 nan 0.000 0.548 88 F N -1.056 118.887 119.950 -0.013 0.000 2.234 88 F HA -0.085 4.442 4.527 -0.000 0.000 0.296 88 F C 2.197 177.984 175.800 -0.020 0.000 1.089 88 F CA 1.035 58.997 58.000 -0.063 0.000 1.343 88 F CB -0.984 37.998 39.000 -0.029 0.000 1.040 88 F HN -0.173 nan 8.300 nan 0.000 0.498 89 V N 0.188 120.206 119.914 0.174 0.000 2.222 89 V HA -0.334 3.786 4.120 -0.000 0.000 0.240 89 V C 2.051 178.151 176.094 0.010 0.000 1.040 89 V CA 2.235 64.582 62.300 0.078 0.000 0.988 89 V CB -0.923 30.946 31.823 0.078 0.000 0.633 89 V HN 0.176 nan 8.190 nan 0.000 0.452 90 D N -0.925 119.499 120.400 0.041 0.000 2.369 90 D HA -0.227 4.413 4.640 -0.000 0.000 0.213 90 D C 1.541 177.778 176.300 -0.105 0.000 0.982 90 D CA 1.108 55.138 54.000 0.050 0.000 0.931 90 D CB -0.114 40.787 40.800 0.170 0.000 0.889 90 D HN 0.436 nan 8.370 nan 0.000 0.487 91 F N -0.093 119.531 119.950 -0.543 0.000 2.135 91 F HA -0.017 4.510 4.527 -0.000 0.000 0.280 91 F C 2.231 177.646 175.800 -0.641 0.000 1.109 91 F CA 0.758 58.096 58.000 -1.104 0.000 1.163 91 F CB -0.831 37.444 39.000 -1.208 0.000 1.062 91 F HN -0.134 nan 8.300 nan 0.000 0.496 92 V N 1.196 120.784 119.914 -0.543 0.000 2.311 92 V HA -0.410 3.710 4.120 -0.000 0.000 0.256 92 V C 2.163 178.027 176.094 -0.384 0.000 1.077 92 V CA 2.380 64.390 62.300 -0.483 0.000 1.067 92 V CB -1.097 30.630 31.823 -0.160 0.000 0.659 92 V HN 0.455 nan 8.190 nan 0.000 0.451 93 D N 0.511 120.765 120.400 -0.244 0.000 2.108 93 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 93 D C 1.999 178.195 176.300 -0.174 0.000 0.995 93 D CA 1.750 55.668 54.000 -0.137 0.000 0.834 93 D CB -0.417 40.353 40.800 -0.049 0.000 0.967 93 D HN 0.387 nan 8.370 nan 0.000 0.446 94 N N -0.538 118.042 118.700 -0.199 0.000 2.513 94 N HA -0.109 4.631 4.740 -0.000 0.000 0.187 94 N C 1.618 176.975 175.510 -0.256 0.000 1.056 94 N CA 0.437 53.407 53.050 -0.133 0.000 0.907 94 N CB 0.313 38.891 38.487 0.152 0.000 0.954 94 N HN 0.189 nan 8.380 nan 0.000 0.445 95 V N -0.249 119.387 119.914 -0.463 0.000 2.436 95 V HA -0.111 4.009 4.120 -0.000 0.000 0.240 95 V C 2.499 178.456 176.094 -0.228 0.000 1.040 95 V CA 0.696 62.734 62.300 -0.437 0.000 1.052 95 V CB -0.554 30.862 31.823 -0.677 0.000 0.707 95 V HN 0.281 nan 8.190 nan 0.000 0.469 96 C N 0.660 119.841 119.300 -0.198 0.000 2.386 96 C HA -0.266 4.194 4.460 -0.000 0.000 0.279 96 C C 2.997 177.949 174.990 -0.062 0.000 1.208 96 C CA 1.843 60.801 59.018 -0.101 0.000 1.747 96 C CB -1.025 26.670 27.740 -0.074 0.000 2.046 96 C HN 0.526 nan 8.230 nan 0.000 0.453 97 M N 0.446 120.005 119.600 -0.069 0.000 2.116 97 M HA -0.245 4.235 4.480 -0.000 0.000 0.255 97 M C 1.753 178.021 176.300 -0.054 0.000 1.075 97 M CA 2.368 57.637 55.300 -0.052 0.000 1.087 97 M CB -1.102 31.433 32.600 -0.108 0.000 1.340 97 M HN 0.450 nan 8.290 nan 0.000 0.402 98 D N 0.326 120.681 120.400 -0.075 0.000 2.144 98 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 98 D C 1.746 178.040 176.300 -0.010 0.000 0.984 98 D CA 1.294 55.267 54.000 -0.045 0.000 0.834 98 D CB 0.068 40.844 40.800 -0.038 0.000 0.955 98 D HN 0.332 nan 8.370 nan 0.000 0.465 99 E N -1.097 119.098 120.200 -0.008 0.000 2.463 99 E HA 0.166 4.516 4.350 -0.000 0.000 0.193 99 E C 0.748 177.381 176.600 0.056 0.000 1.041 99 E CA 0.029 56.441 56.400 0.020 0.000 0.879 99 E CB -0.062 29.641 29.700 0.005 0.000 0.997 99 E HN 0.274 nan 8.360 nan 0.000 0.478 100 M N 0.319 119.953 119.600 0.058 0.000 2.637 100 M HA 0.132 4.612 4.480 -0.000 0.000 0.286 100 M C 0.414 176.790 176.300 0.126 0.000 1.246 100 M CA -0.086 55.274 55.300 0.100 0.000 0.978 100 M CB 0.840 33.489 32.600 0.083 0.000 1.417 100 M HN 0.195 nan 8.290 nan 0.000 0.487 101 V N -3.990 115.995 119.914 0.118 0.000 3.154 101 V HA 0.282 4.402 4.120 -0.000 0.000 0.221 101 V C 0.568 176.737 176.094 0.124 0.000 1.504 101 V CA -0.479 61.900 62.300 0.133 0.000 1.243 101 V CB -0.026 31.856 31.823 0.099 0.000 1.115 101 V HN 0.245 nan 8.190 nan 0.000 0.481 102 R N 3.079 123.630 120.500 0.085 0.000 2.484 102 R HA 0.409 4.749 4.340 -0.000 0.000 0.293 102 R C -0.381 175.953 176.300 0.057 0.000 1.023 102 R CA 0.474 56.610 56.100 0.060 0.000 1.037 102 R CB 0.175 30.498 30.300 0.039 0.000 0.951 102 R HN 0.706 nan 8.270 nan 0.000 0.418 103 E N 1.053 121.267 120.200 0.023 0.000 2.244 103 E HA 0.428 4.778 4.350 -0.000 0.000 0.266 103 E C -0.948 175.623 176.600 -0.049 0.000 0.914 103 E CA -0.950 55.425 56.400 -0.042 0.000 0.794 103 E CB 2.253 31.880 29.700 -0.123 0.000 1.210 103 E HN 0.305 nan 8.360 nan 0.000 0.414 104 S N 0.802 116.460 115.700 -0.070 0.000 2.677 104 S HA 0.050 4.520 4.470 -0.000 0.000 0.283 104 S C 0.497 175.057 174.600 -0.067 0.000 1.159 104 S CA -0.512 57.658 58.200 -0.050 0.000 1.001 104 S CB 1.193 64.379 63.200 -0.024 0.000 1.032 104 S HN 0.535 nan 8.310 nan 0.000 0.487 105 Q N 2.695 122.458 119.800 -0.062 0.000 2.029 105 Q HA -0.189 4.151 4.340 -0.000 0.000 0.209 105 Q C 1.816 177.785 176.000 -0.052 0.000 0.999 105 Q CA 1.784 57.549 55.803 -0.063 0.000 0.857 105 Q CB -0.431 28.280 28.738 -0.046 0.000 0.926 105 Q HN 0.655 nan 8.270 nan 0.000 0.415 106 R N 1.129 121.607 120.500 -0.037 0.000 2.343 106 R HA -0.092 4.248 4.340 -0.000 0.000 0.182 106 R C 0.719 177.003 176.300 -0.027 0.000 0.893 106 R CA 1.500 57.583 56.100 -0.028 0.000 1.022 106 R CB -0.685 29.604 30.300 -0.019 0.000 0.658 106 R HN 0.094 nan 8.270 nan 0.000 0.521 107 N N -0.032 118.658 118.700 -0.016 0.000 3.324 107 N HA 0.189 4.929 4.740 -0.000 0.000 0.302 107 N C -0.125 175.386 175.510 0.001 0.000 1.360 107 N CA 0.307 53.354 53.050 -0.005 0.000 1.190 107 N CB 0.534 39.025 38.487 0.006 0.000 1.462 107 N HN 0.519 nan 8.380 nan 0.000 0.532 108 G N -0.052 108.738 108.800 -0.017 0.000 2.776 108 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.209 108 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.209 108 G C 1.262 176.178 174.900 0.027 0.000 1.145 108 G CA 0.231 45.320 45.100 -0.018 0.000 0.791 108 G HN 0.523 nan 8.290 nan 0.000 0.530 109 I N -0.359 120.233 120.570 0.037 0.000 3.728 109 I HA 0.573 4.743 4.170 -0.000 0.000 0.307 109 I C 1.173 177.388 176.117 0.162 0.000 1.276 109 I CA -0.262 61.086 61.300 0.080 0.000 1.285 109 I CB 0.130 38.139 38.000 0.013 0.000 1.038 109 I HN 0.076 nan 8.210 nan 0.000 0.445 110 A N 0.575 123.468 122.820 0.121 0.000 2.284 110 A HA 0.832 5.152 4.320 -0.000 0.000 0.317 110 A C -2.576 175.070 177.584 0.105 0.000 1.120 110 A CA -1.642 50.477 52.037 0.136 0.000 0.900 110 A CB -0.238 18.814 19.000 0.085 0.000 1.319 110 A HN 0.109 nan 8.150 nan 0.000 0.494 111 P HA 0.188 nan 4.420 nan 0.000 0.269 111 P C -0.164 177.151 177.300 0.025 0.000 1.209 111 P CA 0.111 63.233 63.100 0.036 0.000 0.776 111 P CB 0.694 32.400 31.700 0.009 0.000 0.876 112 Q N 0.267 120.078 119.800 0.018 0.000 2.618 112 Q HA 0.079 4.419 4.340 -0.000 0.000 0.209 112 Q C 0.596 176.597 176.000 0.002 0.000 0.797 112 Q CA 0.528 56.339 55.803 0.013 0.000 0.888 112 Q CB -1.058 27.694 28.738 0.023 0.000 1.244 112 Q HN 0.600 nan 8.270 nan 0.000 0.626 113 S N 2.190 117.891 115.700 0.003 0.000 2.558 113 S HA -0.020 4.450 4.470 -0.000 0.000 0.287 113 S C 0.488 175.079 174.600 -0.014 0.000 1.321 113 S CA -0.041 58.158 58.200 -0.001 0.000 1.048 113 S CB 0.520 63.721 63.200 0.002 0.000 0.844 113 S HN 0.063 nan 8.310 nan 0.000 0.512 114 D N 1.782 122.174 120.400 -0.012 0.000 2.350 114 D HA 0.001 4.641 4.640 -0.000 0.000 0.216 114 D C 1.632 177.900 176.300 -0.053 0.000 0.968 114 D CA 0.908 54.887 54.000 -0.036 0.000 0.894 114 D CB -0.211 40.574 40.800 -0.025 0.000 0.909 114 D HN 0.568 nan 8.370 nan 0.000 0.520 115 S N 0.129 115.829 115.700 0.001 0.000 2.371 115 S HA -0.018 4.452 4.470 -0.000 0.000 0.219 115 S C 1.729 176.352 174.600 0.038 0.000 1.040 115 S CA 0.017 58.259 58.200 0.070 0.000 0.958 115 S CB 0.048 63.314 63.200 0.109 0.000 0.860 115 S HN 0.139 nan 8.310 nan 0.000 0.487 116 L N 2.224 123.443 121.223 -0.006 0.000 2.095 116 L HA 0.223 4.563 4.340 -0.000 0.000 0.204 116 L C 2.235 179.058 176.870 -0.079 0.000 1.080 116 L CA 1.465 56.283 54.840 -0.037 0.000 0.759 116 L CB -0.569 41.469 42.059 -0.035 0.000 0.914 116 L HN 0.110 nan 8.230 nan 0.000 0.439 117 R N -0.358 120.101 120.500 -0.070 0.000 2.185 117 R HA -0.248 4.092 4.340 -0.000 0.000 0.247 117 R C 2.175 178.394 176.300 -0.135 0.000 1.159 117 R CA 1.817 57.870 56.100 -0.079 0.000 0.988 117 R CB -0.127 30.139 30.300 -0.058 0.000 0.871 117 R HN 0.355 nan 8.270 nan 0.000 0.458 118 K N -0.119 120.166 120.400 -0.192 0.000 2.361 118 K HA 0.043 4.363 4.320 -0.000 0.000 0.196 118 K C 1.768 178.039 176.600 -0.548 0.000 1.039 118 K CA 0.242 56.339 56.287 -0.318 0.000 1.001 118 K CB 0.259 32.533 32.500 -0.377 0.000 0.795 118 K HN 0.187 nan 8.250 nan 0.000 0.495 119 L N 0.373 121.357 121.223 -0.399 0.000 2.131 119 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 119 L C 2.230 178.908 176.870 -0.320 0.000 1.087 119 L CA 1.048 55.607 54.840 -0.468 0.000 0.767 119 L CB -0.468 41.496 42.059 -0.158 0.000 0.917 119 L HN 0.175 nan 8.230 nan 0.000 0.441 120 S N 0.305 115.896 115.700 -0.181 0.000 2.500 120 S HA -0.029 4.441 4.470 -0.000 0.000 0.239 120 S C 1.343 175.900 174.600 -0.071 0.000 0.989 120 S CA 0.200 58.351 58.200 -0.083 0.000 0.951 120 S CB -1.260 61.914 63.200 -0.044 0.000 0.759 120 S HN 0.344 nan 8.310 nan 0.000 0.523 121 G N 1.108 109.810 108.800 -0.163 0.000 2.670 121 G HA2 0.259 4.219 3.960 -0.000 0.000 0.233 121 G HA3 0.259 4.219 3.960 -0.000 0.000 0.233 121 G C 0.564 175.510 174.900 0.076 0.000 1.251 121 G CA -0.073 44.987 45.100 -0.066 0.000 0.849 121 G HN 0.330 nan 8.290 nan 0.000 0.588 122 L N 0.658 121.949 121.223 0.113 0.000 2.044 122 L HA 0.039 4.379 4.340 -0.000 0.000 0.205 122 L C 2.912 179.893 176.870 0.184 0.000 1.075 122 L CA 2.154 57.071 54.840 0.128 0.000 0.747 122 L CB -0.419 41.692 42.059 0.086 0.000 0.903 122 L HN 0.775 nan 8.230 nan 0.000 0.435 123 K N -1.769 118.767 120.400 0.227 0.000 2.520 123 K HA -0.181 4.139 4.320 -0.000 0.000 0.197 123 K C 1.384 178.049 176.600 0.110 0.000 1.044 123 K CA 1.528 57.909 56.287 0.157 0.000 0.938 123 K CB -0.527 32.044 32.500 0.118 0.000 0.767 123 K HN 0.258 nan 8.250 nan 0.000 0.481 124 F N 1.311 121.270 119.950 0.015 0.000 2.582 124 F HA 0.220 4.747 4.527 -0.000 0.000 0.290 124 F C 2.024 177.833 175.800 0.016 0.000 1.115 124 F CA -0.100 57.907 58.000 0.012 0.000 1.445 124 F CB -0.017 38.997 39.000 0.024 0.000 1.126 124 F HN -0.184 nan 8.300 nan 0.000 0.574 125 K N 0.879 121.407 120.400 0.213 0.000 2.228 125 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 125 K C 1.455 178.111 176.600 0.095 0.000 1.045 125 K CA 0.985 57.353 56.287 0.134 0.000 0.931 125 K CB -0.212 32.352 32.500 0.107 0.000 0.727 125 K HN 0.047 nan 8.250 nan 0.000 0.458 126 R N 0.083 120.621 120.500 0.063 0.000 2.400 126 R HA -0.038 4.302 4.340 -0.000 0.000 0.207 126 R C 0.638 176.956 176.300 0.029 0.000 1.192 126 R CA 0.517 56.637 56.100 0.033 0.000 1.181 126 R CB -0.226 30.071 30.300 -0.005 0.000 0.947 126 R HN 0.332 nan 8.270 nan 0.000 0.479 127 I N -2.067 118.537 120.570 0.058 0.000 4.624 127 I HA -0.012 4.158 4.170 -0.000 0.000 0.327 127 I C 0.605 176.786 176.117 0.108 0.000 1.295 127 I CA -0.470 60.862 61.300 0.053 0.000 1.267 127 I CB 0.023 38.043 38.000 0.033 0.000 1.249 127 I HN 0.034 nan 8.210 nan 0.000 0.440 128 N N 2.658 121.441 118.700 0.138 0.000 2.187 128 N HA -0.061 4.679 4.740 -0.000 0.000 0.236 128 N C -0.804 174.888 175.510 0.303 0.000 1.244 128 N CA 1.285 54.452 53.050 0.195 0.000 0.850 128 N CB 0.519 39.100 38.487 0.158 0.000 1.090 128 N HN 0.134 nan 8.380 nan 0.000 0.450 129 F N 0.668 120.679 119.950 0.102 0.000 2.780 129 F HA 0.103 4.630 4.527 -0.000 0.000 0.320 129 F C -1.213 174.668 175.800 0.135 0.000 1.118 129 F CA -0.988 57.064 58.000 0.086 0.000 0.964 129 F CB 0.293 39.319 39.000 0.043 0.000 1.249 129 F HN 0.528 nan 8.300 nan 0.000 0.455 130 D N 3.804 123.751 120.400 -0.755 0.000 3.164 130 D HA -0.276 4.364 4.640 -0.000 0.000 0.200 130 D C -0.615 175.778 176.300 0.157 0.000 1.222 130 D CA 1.223 54.932 54.000 -0.484 0.000 0.871 130 D CB -0.457 39.839 40.800 -0.841 0.000 0.831 130 D HN 0.704 nan 8.370 nan 0.000 0.389 131 N N 1.277 120.066 118.700 0.149 0.000 3.229 131 N HA 0.128 4.868 4.740 -0.000 0.000 0.275 131 N C 0.647 176.160 175.510 0.004 0.000 1.225 131 N CA -0.003 53.120 53.050 0.122 0.000 1.119 131 N CB 0.555 39.011 38.487 -0.052 0.000 1.392 131 N HN 0.247 nan 8.380 nan 0.000 0.520 132 S N -1.363 114.394 115.700 0.095 0.000 2.539 132 S HA 0.026 4.496 4.470 -0.000 0.000 0.221 132 S C 0.789 175.422 174.600 0.055 0.000 0.987 132 S CA -0.547 57.675 58.200 0.037 0.000 0.929 132 S CB 0.499 63.717 63.200 0.030 0.000 0.832 132 S HN 0.196 nan 8.310 nan 0.000 0.492 133 S N 2.348 118.118 115.700 0.117 0.000 2.465 133 S HA 0.134 4.604 4.470 -0.000 0.000 0.307 133 S C 1.173 175.818 174.600 0.076 0.000 1.187 133 S CA -0.251 58.034 58.200 0.142 0.000 1.141 133 S CB -0.169 63.216 63.200 0.308 0.000 1.108 133 S HN 0.572 nan 8.310 nan 0.000 0.525 134 E N 3.591 123.836 120.200 0.074 0.000 2.435 134 E HA -0.333 4.017 4.350 -0.000 0.000 0.242 134 E C 0.514 177.094 176.600 -0.033 0.000 1.125 134 E CA 2.426 58.835 56.400 0.015 0.000 1.067 134 E CB -0.253 29.489 29.700 0.071 0.000 0.903 134 E HN 0.943 nan 8.360 nan 0.000 0.466 135 Y N -0.690 119.598 120.300 -0.020 0.000 2.220 135 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 135 Y C 2.124 178.055 175.900 0.053 0.000 1.129 135 Y CA 1.123 59.263 58.100 0.067 0.000 1.161 135 Y CB -0.327 38.225 38.460 0.154 0.000 0.997 135 Y HN 0.227 nan 8.280 nan 0.000 0.522 136 I N 0.446 121.038 120.570 0.036 0.000 2.252 136 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 136 I C 2.287 178.375 176.117 -0.049 0.000 1.102 136 I CA 1.554 62.791 61.300 -0.105 0.000 1.385 136 I CB -0.749 36.834 38.000 -0.696 0.000 1.064 136 I HN 0.300 nan 8.210 nan 0.000 0.414 137 E N 0.312 120.443 120.200 -0.115 0.000 2.136 137 E HA -0.307 4.043 4.350 -0.000 0.000 0.202 137 E C 1.706 178.251 176.600 -0.093 0.000 1.019 137 E CA 1.799 58.138 56.400 -0.101 0.000 0.819 137 E CB -0.170 29.458 29.700 -0.119 0.000 0.739 137 E HN 0.603 nan 8.360 nan 0.000 0.458 138 N N -0.254 118.366 118.700 -0.133 0.000 2.395 138 N HA -0.104 4.636 4.740 -0.000 0.000 0.175 138 N C 1.458 176.975 175.510 0.011 0.000 1.029 138 N CA 0.635 53.585 53.050 -0.166 0.000 0.897 138 N CB -0.323 37.864 38.487 -0.500 0.000 0.991 138 N HN 0.418 nan 8.380 nan 0.000 0.441 139 W N 3.199 124.481 121.300 -0.029 0.000 2.353 139 W HA -0.109 4.551 4.660 -0.000 0.000 0.319 139 W C 1.583 178.103 176.519 0.002 0.000 1.207 139 W CA 1.127 58.489 57.345 0.028 0.000 1.291 139 W CB -0.731 28.753 29.460 0.039 0.000 1.159 139 W HN 0.020 nan 8.180 nan 0.000 0.478 140 N N 1.008 119.899 118.700 0.319 0.000 2.011 140 N HA -0.244 4.496 4.740 -0.000 0.000 0.199 140 N C 1.984 177.496 175.510 0.005 0.000 1.047 140 N CA 2.612 55.783 53.050 0.202 0.000 0.863 140 N CB -1.176 37.397 38.487 0.143 0.000 1.056 140 N HN 0.241 nan 8.380 nan 0.000 0.427 141 L N 1.158 122.368 121.223 -0.022 0.000 2.283 141 L HA -0.218 4.122 4.340 -0.000 0.000 0.217 141 L C 2.569 179.387 176.870 -0.086 0.000 1.104 141 L CA 1.173 55.982 54.840 -0.052 0.000 0.772 141 L CB -0.390 41.632 42.059 -0.063 0.000 0.899 141 L HN 0.334 nan 8.230 nan 0.000 0.439 142 Q N 0.395 120.106 119.800 -0.150 0.000 2.165 142 Q HA -0.149 4.191 4.340 -0.000 0.000 0.197 142 Q C 1.851 177.712 176.000 -0.233 0.000 0.952 142 Q CA 1.280 56.961 55.803 -0.203 0.000 0.848 142 Q CB 0.039 28.606 28.738 -0.286 0.000 0.931 142 Q HN 0.442 nan 8.270 nan 0.000 0.470 143 N N 0.560 119.086 118.700 -0.290 0.000 2.223 143 N HA -0.103 4.637 4.740 -0.000 0.000 0.185 143 N C 1.290 176.755 175.510 -0.075 0.000 1.016 143 N CA 0.984 53.921 53.050 -0.188 0.000 0.863 143 N CB 0.062 38.512 38.487 -0.063 0.000 0.983 143 N HN 0.125 nan 8.380 nan 0.000 0.429 144 R N 0.365 120.833 120.500 -0.054 0.000 2.328 144 R HA 0.196 4.536 4.340 -0.000 0.000 0.200 144 R C -0.384 175.892 176.300 -0.040 0.000 0.983 144 R CA -0.020 56.064 56.100 -0.027 0.000 1.062 144 R CB -0.015 30.277 30.300 -0.014 0.000 0.956 144 R HN 0.169 nan 8.270 nan 0.000 0.479 145 R N 1.348 121.810 120.500 -0.064 0.000 2.717 145 R HA -0.206 4.134 4.340 -0.000 0.000 0.298 145 R C -0.690 175.581 176.300 -0.048 0.000 0.971 145 R CA 0.644 56.708 56.100 -0.061 0.000 0.773 145 R CB -1.172 29.100 30.300 -0.047 0.000 2.073 145 R HN 0.374 nan 8.270 nan 0.000 0.494 146 Q N 0.115 119.883 119.800 -0.053 0.000 2.648 146 Q HA 0.297 4.637 4.340 -0.000 0.000 0.300 146 Q C -0.786 175.191 176.000 -0.039 0.000 0.954 146 Q CA -1.200 54.579 55.803 -0.041 0.000 0.757 146 Q CB 2.313 31.028 28.738 -0.037 0.000 1.482 146 Q HN 0.383 nan 8.270 nan 0.000 0.437 147 R N 1.375 121.857 120.500 -0.030 0.000 2.402 147 R HA 0.090 4.430 4.340 -0.000 0.000 0.331 147 R C 0.296 176.582 176.300 -0.024 0.000 1.040 147 R CA 0.475 56.563 56.100 -0.021 0.000 0.980 147 R CB 0.068 30.358 30.300 -0.016 0.000 0.967 147 R HN 0.621 nan 8.270 nan 0.000 0.440 148 T N 1.426 115.978 114.554 -0.004 0.000 4.604 148 T HA 0.536 4.886 4.350 -0.000 0.000 0.390 148 T C 0.765 175.460 174.700 -0.009 0.000 1.141 148 T CA -0.081 62.021 62.100 0.003 0.000 0.919 148 T CB 0.146 69.086 68.868 0.121 0.000 1.732 148 T HN 0.703 nan 8.240 nan 0.000 0.490 149 G N -0.349 108.478 108.800 0.046 0.000 2.397 149 G HA2 0.394 4.354 3.960 -0.000 0.000 0.453 149 G HA3 0.394 4.354 3.960 -0.000 0.000 0.453 149 G C -1.508 173.243 174.900 -0.248 0.000 1.579 149 G CA -1.144 43.989 45.100 0.055 0.000 0.906 149 G HN 0.541 nan 8.290 nan 0.000 0.675 150 F N -0.321 119.701 119.950 0.120 0.000 2.692 150 F HA 0.859 5.386 4.527 -0.000 0.000 0.320 150 F C 0.430 176.297 175.800 0.112 0.000 1.123 150 F CA -0.994 57.042 58.000 0.060 0.000 0.961 150 F CB 2.118 41.165 39.000 0.078 0.000 1.383 150 F HN 0.428 nan 8.300 nan 0.000 0.483 151 T N 1.985 116.463 114.554 -0.127 0.000 2.824 151 T HA 0.724 5.074 4.350 -0.000 0.000 0.282 151 T C -1.679 172.778 174.700 -0.406 0.000 0.993 151 T CA -0.377 61.683 62.100 -0.067 0.000 0.967 151 T CB 0.443 69.284 68.868 -0.044 0.000 0.960 151 T HN 0.268 nan 8.240 nan 0.000 0.441 152 F N 1.983 122.007 119.950 0.123 0.000 2.607 152 F HA 0.326 4.853 4.527 -0.000 0.000 0.322 152 F C -0.196 175.675 175.800 0.118 0.000 1.176 152 F CA -1.356 56.707 58.000 0.105 0.000 0.977 152 F CB 0.903 39.944 39.000 0.067 0.000 1.242 152 F HN 0.570 nan 8.300 nan 0.000 0.465 153 H N 3.994 123.172 119.070 0.180 0.000 2.705 153 H HA 0.396 4.952 4.556 -0.000 0.000 0.291 153 H C 0.051 175.446 175.328 0.111 0.000 1.085 153 H CA -0.703 55.416 56.048 0.118 0.000 1.357 153 H CB 0.691 30.495 29.762 0.069 0.000 1.419 153 H HN 0.641 nan 8.280 nan 0.000 0.462 154 K N 4.111 124.443 120.400 -0.113 0.000 3.898 154 K HA -0.106 4.214 4.320 -0.000 0.000 0.282 154 K C -2.594 173.956 176.600 -0.083 0.000 1.014 154 K CA 0.398 56.583 56.287 -0.170 0.000 0.848 154 K CB -0.599 31.652 32.500 -0.414 0.000 1.469 154 K HN 0.625 nan 8.250 nan 0.000 0.446 155 P HA -0.037 nan 4.420 nan 0.000 0.274 155 P C -0.584 176.665 177.300 -0.086 0.000 1.264 155 P CA -0.054 63.018 63.100 -0.047 0.000 0.795 155 P CB 0.515 32.123 31.700 -0.152 0.000 1.064 156 N N 0.519 119.163 118.700 -0.094 0.000 2.841 156 N HA 0.151 4.891 4.740 -0.000 0.000 0.257 156 N C 0.165 175.779 175.510 0.172 0.000 1.396 156 N CA -0.305 52.751 53.050 0.009 0.000 0.823 156 N CB -0.454 37.935 38.487 -0.163 0.000 1.162 156 N HN 0.187 nan 8.380 nan 0.000 0.503 157 I N 0.966 121.468 120.570 -0.113 0.000 3.265 157 I HA 0.358 4.528 4.170 -0.000 0.000 0.282 157 I C -0.347 175.675 176.117 -0.159 0.000 1.207 157 I CA 0.463 61.634 61.300 -0.215 0.000 1.449 157 I CB 0.142 37.856 38.000 -0.476 0.000 1.121 157 I HN 0.139 nan 8.210 nan 0.000 0.442 158 F N 4.206 124.260 119.950 0.173 0.000 2.391 158 F HA 0.410 4.937 4.527 -0.000 0.000 0.359 158 F C -1.897 173.996 175.800 0.156 0.000 1.122 158 F CA -2.560 55.526 58.000 0.143 0.000 1.120 158 F CB 0.237 39.327 39.000 0.151 0.000 1.142 158 F HN -0.058 nan 8.300 nan 0.000 0.483 159 P HA -0.103 nan 4.420 nan 0.000 0.271 159 P C -0.730 176.736 177.300 0.276 0.000 1.218 159 P CA -0.107 63.109 63.100 0.194 0.000 0.780 159 P CB 0.534 32.285 31.700 0.086 0.000 0.901 160 Y N 2.022 122.430 120.300 0.180 0.000 2.717 160 Y HA 0.152 4.702 4.550 -0.000 0.000 0.330 160 Y C 0.356 176.366 175.900 0.184 0.000 1.217 160 Y CA 1.201 59.414 58.100 0.188 0.000 1.506 160 Y CB 0.291 38.842 38.460 0.152 0.000 1.268 160 Y HN 0.340 nan 8.280 nan 0.000 0.561 161 S N 5.109 120.577 115.700 -0.386 0.000 2.689 161 S HA 0.781 5.251 4.470 -0.000 0.000 0.274 161 S C -1.585 172.837 174.600 -0.296 0.000 1.176 161 S CA -0.178 57.931 58.200 -0.152 0.000 1.014 161 S CB 0.259 63.570 63.200 0.185 0.000 1.071 161 S HN 1.104 nan 8.310 nan 0.000 0.478 162 A N 3.354 125.957 122.820 -0.361 0.000 2.410 162 A HA 0.871 5.191 4.320 -0.000 0.000 0.289 162 A C -0.115 177.235 177.584 -0.389 0.000 1.200 162 A CA -0.434 51.395 52.037 -0.346 0.000 0.751 162 A CB 1.342 20.222 19.000 -0.200 0.000 1.161 162 A HN 0.960 nan 8.150 nan 0.000 0.459 163 S N 1.060 116.198 115.700 -0.937 0.000 2.800 163 S HA 0.924 5.394 4.470 -0.000 0.000 0.293 163 S C -1.540 172.262 174.600 -1.329 0.000 1.209 163 S CA -0.260 57.394 58.200 -0.909 0.000 0.884 163 S CB 0.926 63.757 63.200 -0.615 0.000 1.244 163 S HN 1.646 nan 8.310 nan 0.000 0.540 164 F N -0.622 118.786 119.950 -0.903 0.000 2.685 164 F HA 0.848 5.375 4.527 -0.000 0.000 0.315 164 F C -0.998 174.773 175.800 -0.048 0.000 1.126 164 F CA -0.636 57.059 58.000 -0.508 0.000 0.950 164 F CB 1.589 40.521 39.000 -0.112 0.000 1.360 164 F HN 0.378 nan 8.300 nan 0.000 0.469 165 T N 2.862 117.652 114.554 0.394 0.000 3.031 165 T HA 0.461 4.811 4.350 -0.000 0.000 0.305 165 T C -1.020 173.827 174.700 0.244 0.000 0.985 165 T CA -0.461 61.802 62.100 0.271 0.000 1.008 165 T CB 1.193 70.231 68.868 0.283 0.000 1.005 165 T HN 0.645 nan 8.240 nan 0.000 0.444 166 L N 4.056 125.403 121.223 0.207 0.000 2.268 166 L HA 0.376 4.716 4.340 -0.000 0.000 0.289 166 L C 1.188 178.039 176.870 -0.032 0.000 1.064 166 L CA -0.655 54.214 54.840 0.048 0.000 0.824 166 L CB 0.502 42.553 42.059 -0.014 0.000 1.202 166 L HN 0.629 nan 8.230 nan 0.000 0.433 167 N N 2.607 121.261 118.700 -0.078 0.000 2.416 167 N HA -0.014 4.726 4.740 -0.000 0.000 0.177 167 N C 0.516 175.967 175.510 -0.099 0.000 1.036 167 N CA 0.661 53.661 53.050 -0.083 0.000 0.901 167 N CB 0.483 38.913 38.487 -0.095 0.000 0.976 167 N HN 0.521 nan 8.380 nan 0.000 0.444 168 R N 1.040 121.466 120.500 -0.124 0.000 2.515 168 R HA 0.273 4.613 4.340 -0.000 0.000 0.291 168 R C -1.396 174.792 176.300 -0.186 0.000 1.046 168 R CA -0.177 55.845 56.100 -0.129 0.000 0.914 168 R CB 1.266 31.501 30.300 -0.109 0.000 1.191 168 R HN 0.073 nan 8.270 nan 0.000 0.435 169 S N 3.084 118.662 115.700 -0.204 0.000 2.625 169 S HA 0.564 5.034 4.470 -0.000 0.000 0.271 169 S C -1.537 172.887 174.600 -0.292 0.000 1.161 169 S CA -0.888 57.121 58.200 -0.320 0.000 0.820 169 S CB 2.405 65.378 63.200 -0.379 0.000 1.137 169 S HN 0.628 nan 8.310 nan 0.000 0.470 170 Q N -0.959 118.599 119.800 -0.404 0.000 2.482 170 Q HA 0.510 4.850 4.340 -0.000 0.000 0.286 170 Q C -3.039 172.728 176.000 -0.389 0.000 1.007 170 Q CA -1.749 53.885 55.803 -0.283 0.000 0.801 170 Q CB 0.211 28.853 28.738 -0.160 0.000 1.455 170 Q HN 0.351 nan 8.270 nan 0.000 0.398 171 P HA -0.227 nan 4.420 nan 0.000 0.217 171 P C 1.131 178.475 177.300 0.075 0.000 1.158 171 P CA 3.341 66.406 63.100 -0.058 0.000 0.887 171 P CB -0.049 31.650 31.700 -0.002 0.000 0.792 172 A N -1.771 121.072 122.820 0.039 0.000 2.121 172 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 172 A C 0.349 178.071 177.584 0.229 0.000 1.154 172 A CA 0.968 53.084 52.037 0.130 0.000 0.679 172 A CB -1.499 17.548 19.000 0.079 0.000 0.795 172 A HN 0.308 nan 8.150 nan 0.000 0.458 173 H N -0.533 118.532 119.070 -0.008 0.000 2.692 173 H HA -0.140 4.416 4.556 -0.000 0.000 0.316 173 H C 0.171 175.527 175.328 0.046 0.000 1.176 173 H CA 0.942 56.947 56.048 -0.071 0.000 1.142 173 H CB -1.187 28.558 29.762 -0.029 0.000 1.475 173 H HN 0.812 nan 8.280 nan 0.000 0.423 174 D N -1.177 119.301 120.400 0.129 0.000 2.433 174 D HA 0.096 4.736 4.640 -0.000 0.000 0.211 174 D C 0.331 176.827 176.300 0.326 0.000 1.114 174 D CA 0.066 54.224 54.000 0.263 0.000 0.837 174 D CB 0.461 41.380 40.800 0.198 0.000 0.984 174 D HN 0.393 nan 8.370 nan 0.000 0.505 175 N N 0.511 119.262 118.700 0.084 0.000 2.732 175 N HA 0.195 4.935 4.740 -0.000 0.000 0.235 175 N C -1.480 173.906 175.510 -0.207 0.000 1.466 175 N CA -0.300 52.840 53.050 0.150 0.000 0.751 175 N CB 0.178 38.843 38.487 0.297 0.000 1.317 175 N HN -0.031 nan 8.380 nan 0.000 0.525 176 L N 0.433 121.193 121.223 -0.772 0.000 2.387 176 L HA 0.674 5.014 4.340 -0.000 0.000 0.266 176 L C 0.129 176.839 176.870 -0.267 0.000 1.059 176 L CA -0.668 53.791 54.840 -0.635 0.000 0.801 176 L CB 1.414 42.925 42.059 -0.912 0.000 1.223 176 L HN 0.301 nan 8.230 nan 0.000 0.456 177 M N 1.044 120.554 119.600 -0.150 0.000 2.322 177 M HA 0.637 5.117 4.480 -0.000 0.000 0.285 177 M C -0.892 175.210 176.300 -0.331 0.000 1.119 177 M CA -0.083 55.138 55.300 -0.130 0.000 0.953 177 M CB 1.770 34.326 32.600 -0.073 0.000 1.701 177 M HN 0.784 nan 8.290 nan 0.000 0.479 178 G N 2.260 110.602 108.800 -0.765 0.000 2.360 178 G HA2 0.483 4.443 3.960 -0.000 0.000 0.276 178 G HA3 0.483 4.443 3.960 -0.000 0.000 0.276 178 G C -1.446 172.854 174.900 -0.999 0.000 1.256 178 G CA 0.124 44.834 45.100 -0.650 0.000 0.890 178 G HN 0.919 nan 8.290 nan 0.000 0.486 179 T N -1.998 112.319 114.554 -0.395 0.000 2.896 179 T HA 0.754 5.104 4.350 -0.000 0.000 0.297 179 T C -0.241 174.583 174.700 0.208 0.000 1.108 179 T CA -0.370 61.651 62.100 -0.132 0.000 1.004 179 T CB 1.860 70.786 68.868 0.098 0.000 1.159 179 T HN 1.524 nan 8.240 nan 0.000 0.499 180 M N 0.612 120.242 119.600 0.051 0.000 2.501 180 M HA 0.916 5.396 4.480 -0.000 0.000 0.293 180 M C -1.953 174.013 176.300 -0.557 0.000 1.192 180 M CA -0.860 54.228 55.300 -0.353 0.000 0.886 180 M CB 2.246 34.484 32.600 -0.604 0.000 1.710 180 M HN 1.000 nan 8.290 nan 0.000 0.457 181 W N 1.945 122.937 121.300 -0.514 0.000 2.988 181 W HA 0.807 5.467 4.660 -0.000 0.000 0.355 181 W C -2.827 173.768 176.519 0.126 0.000 1.233 181 W CA -1.139 56.059 57.345 -0.245 0.000 1.176 181 W CB 1.001 30.240 29.460 -0.367 0.000 1.477 181 W HN 0.846 nan 8.180 nan 0.000 0.582 182 L N 3.377 124.884 121.223 0.473 0.000 2.491 182 L HA 0.552 4.892 4.340 -0.000 0.000 0.267 182 L C -1.890 175.126 176.870 0.244 0.000 0.971 182 L CA -0.642 54.359 54.840 0.269 0.000 0.857 182 L CB 1.315 43.498 42.059 0.206 0.000 1.226 182 L HN 0.464 nan 8.230 nan 0.000 0.408 183 N N 4.874 123.697 118.700 0.204 0.000 2.424 183 N HA 0.864 5.604 4.740 -0.000 0.000 0.271 183 N C -1.025 174.587 175.510 0.170 0.000 0.985 183 N CA -0.260 52.854 53.050 0.106 0.000 0.921 183 N CB 2.107 40.596 38.487 0.003 0.000 1.149 183 N HN 0.769 nan 8.380 nan 0.000 0.492 184 A N 0.609 123.614 122.820 0.308 0.000 2.512 184 A HA 0.729 5.049 4.320 -0.000 0.000 0.294 184 A C 0.687 178.510 177.584 0.399 0.000 1.054 184 A CA -0.028 52.231 52.037 0.371 0.000 0.756 184 A CB 0.622 19.837 19.000 0.358 0.000 1.293 184 A HN 0.826 nan 8.150 nan 0.000 0.395 185 G N 1.878 110.900 108.800 0.371 0.000 2.601 185 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.306 185 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.306 185 G C 1.269 176.261 174.900 0.154 0.000 1.172 185 G CA 1.322 46.563 45.100 0.236 0.000 0.966 185 G HN 2.341 nan 8.290 nan 0.000 0.542 186 S N 0.358 116.153 115.700 0.158 0.000 2.578 186 S HA 0.536 5.006 4.470 -0.000 0.000 0.231 186 S C 0.300 175.124 174.600 0.373 0.000 0.994 186 S CA 1.031 59.303 58.200 0.120 0.000 0.956 186 S CB 0.880 64.113 63.200 0.055 0.000 0.870 186 S HN 0.905 nan 8.310 nan 0.000 0.494 187 E N 0.652 121.125 120.200 0.454 0.000 2.256 187 E HA 0.684 5.034 4.350 -0.000 0.000 0.267 187 E C -1.535 175.240 176.600 0.293 0.000 0.892 187 E CA -0.928 55.687 56.400 0.358 0.000 0.775 187 E CB 1.505 31.336 29.700 0.219 0.000 1.207 187 E HN 0.364 nan 8.360 nan 0.000 0.420 188 I N 2.759 123.433 120.570 0.173 0.000 2.533 188 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 188 I C -0.743 175.433 176.117 0.098 0.000 1.056 188 I CA -0.593 60.748 61.300 0.070 0.000 1.057 188 I CB 2.101 40.086 38.000 -0.025 0.000 1.240 188 I HN 0.439 nan 8.210 nan 0.000 0.423 189 Q N 4.709 124.587 119.800 0.131 0.000 2.323 189 Q HA 0.703 5.043 4.340 -0.000 0.000 0.271 189 Q C -1.591 174.545 176.000 0.226 0.000 1.048 189 Q CA -0.643 55.244 55.803 0.140 0.000 0.792 189 Q CB 3.715 32.513 28.738 0.100 0.000 1.280 189 Q HN 0.471 nan 8.270 nan 0.000 0.441 190 V N 1.116 121.083 119.914 0.088 0.000 2.808 190 V HA 0.910 5.030 4.120 -0.000 0.000 0.308 190 V C -1.788 174.292 176.094 -0.022 0.000 1.099 190 V CA -0.343 61.946 62.300 -0.017 0.000 0.920 190 V CB 1.912 33.550 31.823 -0.309 0.000 1.014 190 V HN 0.847 nan 8.190 nan 0.000 0.425 191 A N 4.138 126.967 122.820 0.014 0.000 2.386 191 A HA 0.962 5.282 4.320 -0.000 0.000 0.311 191 A C -0.073 177.502 177.584 -0.015 0.000 1.068 191 A CA -0.144 51.925 52.037 0.053 0.000 0.743 191 A CB 1.875 20.990 19.000 0.192 0.000 1.258 191 A HN 1.655 nan 8.150 nan 0.000 0.429 192 G N 0.718 109.410 108.800 -0.181 0.000 2.416 192 G HA2 0.662 4.622 3.960 -0.000 0.000 0.324 192 G HA3 0.662 4.622 3.960 -0.000 0.000 0.324 192 G C -0.729 173.708 174.900 -0.772 0.000 1.194 192 G CA -0.480 43.838 45.100 -1.303 0.000 0.922 192 G HN 1.002 nan 8.290 nan 0.000 0.467 193 F N 0.538 120.267 119.950 -0.367 0.000 2.563 193 F HA 0.794 5.321 4.527 -0.000 0.000 0.316 193 F C -1.042 174.966 175.800 0.347 0.000 1.076 193 F CA -1.817 56.269 58.000 0.143 0.000 0.921 193 F CB 2.779 41.964 39.000 0.309 0.000 1.209 193 F HN 0.315 nan 8.300 nan 0.000 0.462 194 D N 1.940 122.671 120.400 0.552 0.000 2.386 194 D HA 0.202 4.842 4.640 -0.000 0.000 0.247 194 D C -0.134 176.413 176.300 0.411 0.000 1.336 194 D CA -0.506 53.724 54.000 0.384 0.000 0.976 194 D CB 0.443 41.381 40.800 0.230 0.000 1.257 194 D HN 0.700 nan 8.370 nan 0.000 0.570 195 Y N 1.509 121.908 120.300 0.165 0.000 2.256 195 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 195 Y C 2.455 178.219 175.900 -0.227 0.000 1.155 195 Y CA 1.076 59.253 58.100 0.127 0.000 1.203 195 Y CB 0.255 38.791 38.460 0.126 0.000 0.980 195 Y HN 0.416 nan 8.280 nan 0.000 0.530 196 S N -1.158 114.388 115.700 -0.256 0.000 2.603 196 S HA -0.095 4.375 4.470 -0.000 0.000 0.220 196 S C 1.096 175.426 174.600 -0.450 0.000 0.967 196 S CA 0.191 57.897 58.200 -0.824 0.000 0.920 196 S CB -0.616 62.375 63.200 -0.349 0.000 0.773 196 S HN 0.545 nan 8.310 nan 0.000 0.529 197 C N 0.996 120.155 119.300 -0.235 0.000 4.235 197 C HA -0.134 4.326 4.460 -0.000 0.000 0.301 197 C C 1.396 176.258 174.990 -0.213 0.000 1.409 197 C CA 0.156 59.006 59.018 -0.279 0.000 2.024 197 C CB -3.002 24.381 27.740 -0.595 0.000 1.286 197 C HN 2.155 nan 8.230 nan 0.000 0.746 198 A N -0.853 121.884 122.820 -0.137 0.000 2.799 198 A HA -0.291 4.029 4.320 -0.000 0.000 0.287 198 A C 1.204 178.736 177.584 -0.086 0.000 1.484 198 A CA 1.434 53.408 52.037 -0.106 0.000 0.813 198 A CB -1.795 17.143 19.000 -0.103 0.000 1.009 198 A HN 1.997 nan 8.150 nan 0.000 0.545 199 I N 0.136 120.657 120.570 -0.082 0.000 2.264 199 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 199 I C 1.390 177.509 176.117 0.004 0.000 1.111 199 I CA 2.503 63.790 61.300 -0.023 0.000 1.382 199 I CB -0.219 37.795 38.000 0.024 0.000 1.060 199 I HN 0.516 nan 8.210 nan 0.000 0.418 200 N N 0.528 119.229 118.700 0.002 0.000 2.204 200 N HA 0.320 5.060 4.740 -0.000 0.000 0.219 200 N C 0.030 175.527 175.510 -0.021 0.000 1.151 200 N CA 0.394 53.447 53.050 0.006 0.000 0.867 200 N CB 0.358 38.861 38.487 0.026 0.000 1.043 200 N HN 0.299 nan 8.380 nan 0.000 0.516 201 A N 2.079 124.873 122.820 -0.042 0.000 2.316 201 A HA 0.457 4.777 4.320 -0.000 0.000 0.284 201 A C -2.164 175.385 177.584 -0.057 0.000 1.115 201 A CA -1.261 50.738 52.037 -0.063 0.000 0.812 201 A CB 0.176 19.120 19.000 -0.094 0.000 1.064 201 A HN -0.060 nan 8.150 nan 0.000 0.489 202 P HA 0.181 nan 4.420 nan 0.000 0.263 202 P C 0.452 177.720 177.300 -0.053 0.000 1.195 202 P CA 1.455 64.524 63.100 -0.052 0.000 0.762 202 P CB 0.920 32.586 31.700 -0.058 0.000 0.799 203 A N 3.924 126.720 122.820 -0.040 0.000 2.861 203 A HA -0.302 4.018 4.320 -0.000 0.000 0.261 203 A C 0.815 178.376 177.584 -0.040 0.000 1.351 203 A CA 1.212 53.227 52.037 -0.036 0.000 0.904 203 A CB -2.969 16.009 19.000 -0.037 0.000 1.076 203 A HN 0.711 nan 8.150 nan 0.000 0.729 204 N N -1.793 116.879 118.700 -0.046 0.000 2.721 204 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 204 N C -0.159 175.312 175.510 -0.066 0.000 1.072 204 N CA 1.347 54.365 53.050 -0.054 0.000 0.710 204 N CB -1.104 37.358 38.487 -0.043 0.000 0.993 204 N HN 0.796 nan 8.380 nan 0.000 0.547 205 T N 0.070 114.576 114.554 -0.079 0.000 2.881 205 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 205 T C -0.572 174.035 174.700 -0.155 0.000 1.000 205 T CA -0.556 61.488 62.100 -0.092 0.000 0.978 205 T CB 2.102 70.926 68.868 -0.073 0.000 0.997 205 T HN 0.077 nan 8.240 nan 0.000 0.443 206 Q N 2.588 122.261 119.800 -0.212 0.000 2.322 206 Q HA 0.514 4.854 4.340 -0.000 0.000 0.265 206 Q C -0.678 174.950 176.000 -0.620 0.000 0.985 206 Q CA -0.677 54.880 55.803 -0.410 0.000 0.849 206 Q CB 1.492 29.964 28.738 -0.444 0.000 1.274 206 Q HN 0.556 nan 8.270 nan 0.000 0.449 207 Q N 3.075 122.505 119.800 -0.616 0.000 2.259 207 Q HA 0.566 4.906 4.340 -0.000 0.000 0.249 207 Q C -1.577 173.877 176.000 -0.910 0.000 0.914 207 Q CA 0.154 55.613 55.803 -0.574 0.000 0.904 207 Q CB 0.605 29.141 28.738 -0.337 0.000 1.213 207 Q HN 0.633 nan 8.270 nan 0.000 0.428 208 F N 0.868 120.523 119.950 -0.492 0.000 2.620 208 F HA 0.593 5.120 4.527 -0.000 0.000 0.320 208 F C -0.228 175.177 175.800 -0.659 0.000 1.069 208 F CA -0.863 56.720 58.000 -0.695 0.000 0.953 208 F CB 2.310 40.580 39.000 -1.218 0.000 1.322 208 F HN 0.557 nan 8.300 nan 0.000 0.479 209 E N 0.518 120.596 120.200 -0.202 0.000 2.363 209 E HA 0.310 4.660 4.350 -0.000 0.000 0.281 209 E C -2.223 174.432 176.600 0.092 0.000 0.953 209 E CA -0.754 55.608 56.400 -0.064 0.000 0.778 209 E CB 1.971 31.621 29.700 -0.082 0.000 1.220 209 E HN 0.726 nan 8.360 nan 0.000 0.431 210 H N 3.593 122.678 119.070 0.025 0.000 2.840 210 H HA 0.506 5.062 4.556 -0.000 0.000 0.340 210 H C -1.531 173.722 175.328 -0.124 0.000 1.004 210 H CA -0.324 55.683 56.048 -0.067 0.000 1.288 210 H CB 0.827 30.602 29.762 0.022 0.000 1.607 210 H HN 0.428 nan 8.280 nan 0.000 0.522 211 I N 5.492 125.732 120.570 -0.550 0.000 2.433 211 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 211 I C -0.736 175.036 176.117 -0.575 0.000 1.001 211 I CA -0.985 60.057 61.300 -0.431 0.000 1.119 211 I CB 1.961 39.804 38.000 -0.260 0.000 1.289 211 I HN 0.298 nan 8.210 nan 0.000 0.438 212 V N 5.773 125.455 119.914 -0.386 0.000 2.483 212 V HA 0.338 4.458 4.120 -0.000 0.000 0.297 212 V C -0.497 175.557 176.094 -0.068 0.000 1.027 212 V CA -0.698 61.418 62.300 -0.306 0.000 0.855 212 V CB 1.637 33.225 31.823 -0.391 0.000 0.995 212 V HN 0.664 nan 8.190 nan 0.000 0.424 213 Q N 4.748 124.530 119.800 -0.031 0.000 2.340 213 Q HA 0.563 4.903 4.340 -0.000 0.000 0.259 213 Q C -0.812 175.262 176.000 0.123 0.000 0.964 213 Q CA -0.447 55.384 55.803 0.047 0.000 0.900 213 Q CB 1.911 30.649 28.738 0.001 0.000 1.228 213 Q HN 0.607 nan 8.270 nan 0.000 0.449 214 L N 2.298 123.623 121.223 0.170 0.000 2.417 214 L HA 0.232 4.572 4.340 -0.000 0.000 0.268 214 L C 1.378 178.290 176.870 0.071 0.000 1.158 214 L CA -0.448 54.485 54.840 0.154 0.000 0.819 214 L CB 0.373 42.487 42.059 0.092 0.000 1.112 214 L HN 0.569 nan 8.230 nan 0.000 0.458 215 R N 1.139 121.677 120.500 0.063 0.000 2.240 215 R HA 0.154 4.494 4.340 -0.000 0.000 0.203 215 R C 0.161 176.484 176.300 0.038 0.000 1.011 215 R CA 0.387 56.521 56.100 0.056 0.000 1.007 215 R CB -0.108 30.245 30.300 0.088 0.000 0.911 215 R HN 0.528 nan 8.270 nan 0.000 0.468 216 R N -0.174 120.330 120.500 0.007 0.000 2.740 216 R HA 0.345 4.685 4.340 -0.000 0.000 0.273 216 R C -0.842 175.390 176.300 -0.112 0.000 0.998 216 R CA -1.015 55.062 56.100 -0.038 0.000 0.900 216 R CB 1.936 32.232 30.300 -0.007 0.000 1.223 216 R HN -0.213 nan 8.270 nan 0.000 0.466 217 V N 3.443 123.278 119.914 -0.132 0.000 2.715 217 V HA 0.246 4.366 4.120 -0.000 0.000 0.299 217 V C 0.494 176.415 176.094 -0.288 0.000 1.054 217 V CA -0.050 62.122 62.300 -0.213 0.000 1.077 217 V CB 0.812 32.554 31.823 -0.134 0.000 0.972 217 V HN 0.402 nan 8.190 nan 0.000 0.484 218 L N 4.862 125.769 121.223 -0.528 0.000 2.329 218 L HA 0.653 4.993 4.340 -0.000 0.000 0.279 218 L C 0.222 176.886 176.870 -0.343 0.000 1.014 218 L CA -0.352 54.215 54.840 -0.454 0.000 0.814 218 L CB 2.245 43.972 42.059 -0.554 0.000 1.257 218 L HN 0.819 nan 8.230 nan 0.000 0.424 219 T N -3.027 111.462 114.554 -0.109 0.000 2.930 219 T HA 0.408 4.758 4.350 -0.000 0.000 0.290 219 T C 0.367 175.105 174.700 0.063 0.000 1.052 219 T CA 0.025 62.128 62.100 0.004 0.000 1.017 219 T CB 1.658 70.535 68.868 0.015 0.000 1.137 219 T HN 0.776 nan 8.240 nan 0.000 0.511 220 T N -1.733 112.871 114.554 0.083 0.000 3.852 220 T HA -0.159 4.191 4.350 -0.000 0.000 0.361 220 T C 0.346 175.100 174.700 0.090 0.000 0.759 220 T CA 0.315 62.461 62.100 0.078 0.000 1.899 220 T CB -2.738 66.169 68.868 0.065 0.000 1.822 220 T HN 1.776 nan 8.240 nan 0.000 0.778 221 A N 0.819 123.712 122.820 0.121 0.000 2.362 221 A HA 0.588 4.908 4.320 -0.000 0.000 0.276 221 A C 0.684 178.293 177.584 0.041 0.000 1.153 221 A CA -0.259 51.853 52.037 0.126 0.000 0.813 221 A CB 0.585 19.747 19.000 0.270 0.000 1.081 221 A HN 0.621 nan 8.150 nan 0.000 0.507 222 T N 3.696 118.283 114.554 0.055 0.000 2.733 222 T HA 0.544 4.894 4.350 -0.000 0.000 0.294 222 T C -0.211 174.510 174.700 0.035 0.000 0.956 222 T CA 0.284 62.398 62.100 0.025 0.000 0.987 222 T CB -0.038 68.856 68.868 0.044 0.000 0.920 222 T HN 0.450 nan 8.240 nan 0.000 0.470 223 I N 2.288 122.852 120.570 -0.010 0.000 2.608 223 I HA 0.349 4.519 4.170 -0.000 0.000 0.295 223 I C 0.132 176.264 176.117 0.025 0.000 1.049 223 I CA -0.806 60.510 61.300 0.028 0.000 1.063 223 I CB 2.425 40.431 38.000 0.010 0.000 1.248 223 I HN 0.439 nan 8.210 nan 0.000 0.424 224 T N 6.497 121.094 114.554 0.070 0.000 2.767 224 T HA 0.452 4.802 4.350 -0.000 0.000 0.284 224 T C -0.636 174.122 174.700 0.097 0.000 0.973 224 T CA -0.359 61.783 62.100 0.069 0.000 0.996 224 T CB 0.950 69.864 68.868 0.077 0.000 0.927 224 T HN 0.225 nan 8.240 nan 0.000 0.456 225 L N 5.540 126.828 121.223 0.108 0.000 2.356 225 L HA 0.661 5.001 4.340 -0.000 0.000 0.277 225 L C -1.536 175.479 176.870 0.240 0.000 0.996 225 L CA -0.744 54.197 54.840 0.169 0.000 0.822 225 L CB 1.235 43.393 42.059 0.165 0.000 1.256 225 L HN 0.628 nan 8.230 nan 0.000 0.413 226 L N 6.237 127.554 121.223 0.157 0.000 2.388 226 L HA 0.639 4.979 4.340 -0.000 0.000 0.264 226 L C -2.371 174.364 176.870 -0.225 0.000 0.998 226 L CA -1.720 53.116 54.840 -0.007 0.000 0.817 226 L CB 2.847 44.886 42.059 -0.034 0.000 1.338 226 L HN 0.455 nan 8.230 nan 0.000 0.414 227 P HA 0.246 nan 4.420 nan 0.000 0.276 227 P C -1.391 175.724 177.300 -0.308 0.000 1.244 227 P CA 0.021 62.730 63.100 -0.652 0.000 0.801 227 P CB 0.842 31.931 31.700 -1.019 0.000 1.006 228 D N -1.698 118.574 120.400 -0.212 0.000 10.699 228 D HA -0.060 4.580 4.640 -0.000 0.000 0.332 228 D C -0.851 175.397 176.300 -0.085 0.000 3.140 228 D CA 0.641 54.569 54.000 -0.121 0.000 2.729 228 D CB -1.171 39.571 40.800 -0.098 0.000 1.225 228 D HN 0.526 nan 8.370 nan 0.000 0.945 229 A N 2.068 124.867 122.820 -0.034 0.000 2.536 229 A HA 0.463 4.783 4.320 -0.000 0.000 0.329 229 A C 1.140 178.698 177.584 -0.044 0.000 1.321 229 A CA -0.474 51.560 52.037 -0.006 0.000 0.804 229 A CB 0.422 19.507 19.000 0.142 0.000 1.126 229 A HN 0.426 nan 8.150 nan 0.000 0.480 230 E N 1.101 121.266 120.200 -0.060 0.000 2.130 230 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 230 E C 1.908 178.463 176.600 -0.076 0.000 0.998 230 E CA 1.440 57.822 56.400 -0.030 0.000 0.806 230 E CB 0.001 29.701 29.700 0.001 0.000 0.738 230 E HN 0.769 nan 8.360 nan 0.000 0.459 231 R N 0.291 120.633 120.500 -0.263 0.000 2.159 231 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 231 R C 0.600 176.293 176.300 -1.012 0.000 1.131 231 R CA 1.096 56.880 56.100 -0.527 0.000 0.982 231 R CB 0.016 29.812 30.300 -0.840 0.000 0.868 231 R HN 0.139 nan 8.270 nan 0.000 0.453 232 F N -0.867 118.928 119.950 -0.258 0.000 2.855 232 F HA 0.295 4.822 4.527 -0.000 0.000 0.317 232 F C 0.666 176.328 175.800 -0.229 0.000 1.169 232 F CA -0.576 57.257 58.000 -0.277 0.000 1.299 232 F CB 1.374 40.354 39.000 -0.034 0.000 0.962 232 F HN -0.102 nan 8.300 nan 0.000 0.506 233 S N 0.062 115.606 115.700 -0.261 0.000 2.578 233 S HA 0.221 4.691 4.470 -0.000 0.000 0.231 233 S C -0.134 174.404 174.600 -0.103 0.000 0.994 233 S CA -0.246 57.886 58.200 -0.114 0.000 0.956 233 S CB -0.142 63.056 63.200 -0.003 0.000 0.870 233 S HN 0.325 nan 8.310 nan 0.000 0.494 234 F N 0.150 120.057 119.950 -0.071 0.000 2.598 234 F HA 0.790 5.317 4.527 -0.000 0.000 0.327 234 F C -3.341 172.369 175.800 -0.150 0.000 1.057 234 F CA -3.688 54.249 58.000 -0.105 0.000 0.957 234 F CB -0.484 38.480 39.000 -0.059 0.000 1.278 234 F HN -0.312 nan 8.300 nan 0.000 0.484 235 P HA 0.276 nan 4.420 nan 0.000 0.264 235 P C -1.078 176.322 177.300 0.167 0.000 1.193 235 P CA 0.010 63.120 63.100 0.017 0.000 0.763 235 P CB 0.509 32.282 31.700 0.122 0.000 0.810 236 R N 1.463 122.018 120.500 0.092 0.000 2.740 236 R HA 0.638 4.978 4.340 -0.000 0.000 0.273 236 R C -1.451 174.888 176.300 0.065 0.000 0.998 236 R CA -1.108 55.050 56.100 0.097 0.000 0.900 236 R CB 2.084 32.394 30.300 0.017 0.000 1.223 236 R HN 0.135 nan 8.270 nan 0.000 0.466 237 V N 4.076 123.985 119.914 -0.008 0.000 2.378 237 V HA 0.479 4.599 4.120 -0.000 0.000 0.288 237 V C -0.315 175.612 176.094 -0.278 0.000 1.016 237 V CA -0.450 61.797 62.300 -0.088 0.000 0.840 237 V CB 1.360 33.175 31.823 -0.012 0.000 0.994 237 V HN 0.533 nan 8.190 nan 0.000 0.431 238 I N 3.919 124.119 120.570 -0.617 0.000 2.693 238 I HA 0.449 4.619 4.170 -0.000 0.000 0.303 238 I C 0.147 175.951 176.117 -0.521 0.000 1.025 238 I CA -0.691 60.160 61.300 -0.748 0.000 1.086 238 I CB 2.139 39.243 38.000 -1.494 0.000 1.268 238 I HN 0.524 nan 8.210 nan 0.000 0.440 239 N N 1.998 120.609 118.700 -0.148 0.000 2.525 239 N HA 0.211 4.951 4.740 -0.000 0.000 0.271 239 N C -0.324 175.393 175.510 0.345 0.000 1.194 239 N CA -0.423 52.670 53.050 0.073 0.000 0.964 239 N CB 0.767 39.315 38.487 0.101 0.000 1.126 239 N HN 0.667 nan 8.380 nan 0.000 0.452 240 S N 0.607 116.511 115.700 0.340 0.000 2.600 240 S HA 0.224 4.694 4.470 -0.000 0.000 0.265 240 S C 1.377 176.239 174.600 0.437 0.000 1.325 240 S CA -0.481 57.966 58.200 0.412 0.000 1.002 240 S CB 1.165 64.466 63.200 0.168 0.000 0.921 240 S HN 0.669 nan 8.310 nan 0.000 0.554 241 A N 1.341 124.423 122.820 0.437 0.000 1.948 241 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 241 A C 1.722 179.372 177.584 0.110 0.000 1.177 241 A CA 1.887 54.041 52.037 0.195 0.000 0.636 241 A CB -1.115 17.953 19.000 0.112 0.000 0.815 241 A HN 0.981 nan 8.150 nan 0.000 0.449 242 D N -2.249 118.226 120.400 0.125 0.000 2.340 242 D HA 0.252 4.892 4.640 -0.000 0.000 0.220 242 D C 1.214 177.564 176.300 0.083 0.000 1.039 242 D CA 0.944 54.994 54.000 0.085 0.000 0.866 242 D CB -0.728 40.118 40.800 0.078 0.000 0.913 242 D HN 0.829 nan 8.370 nan 0.000 0.523 243 G N 0.112 108.977 108.800 0.108 0.000 2.189 243 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.267 243 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.267 243 G C 1.201 176.148 174.900 0.078 0.000 0.975 243 G CA 0.649 45.804 45.100 0.092 0.000 0.644 243 G HN 0.794 nan 8.290 nan 0.000 0.537 244 A N -1.561 121.308 122.820 0.082 0.000 2.067 244 A HA 0.548 4.868 4.320 -0.000 0.000 0.217 244 A C 1.364 178.988 177.584 0.067 0.000 1.156 244 A CA 2.535 54.614 52.037 0.070 0.000 0.683 244 A CB 0.105 19.147 19.000 0.071 0.000 0.808 244 A HN 1.449 nan 8.150 nan 0.000 0.455 245 T N -2.370 112.228 114.554 0.073 0.000 2.648 245 T HA 0.522 4.872 4.350 -0.000 0.000 0.304 245 T C -1.267 173.461 174.700 0.048 0.000 1.312 245 T CA 0.275 62.408 62.100 0.056 0.000 1.023 245 T CB 1.217 70.122 68.868 0.062 0.000 1.612 245 T HN 0.468 nan 8.240 nan 0.000 0.487 246 T N 0.594 115.165 114.554 0.029 0.000 2.893 246 T HA 0.753 5.103 4.350 -0.000 0.000 0.293 246 T C -0.885 173.844 174.700 0.049 0.000 1.027 246 T CA -0.897 61.206 62.100 0.006 0.000 0.988 246 T CB 1.197 70.047 68.868 -0.031 0.000 1.043 246 T HN 0.749 nan 8.240 nan 0.000 0.461 247 W N 1.796 122.993 121.300 -0.173 0.000 2.655 247 W HA 0.695 5.355 4.660 -0.000 0.000 0.358 247 W C -1.730 174.853 176.519 0.105 0.000 1.100 247 W CA -1.801 55.490 57.345 -0.091 0.000 1.195 247 W CB 0.549 29.866 29.460 -0.238 0.000 1.403 247 W HN 0.667 nan 8.180 nan 0.000 0.589 248 Y N 2.564 123.039 120.300 0.293 0.000 2.341 248 Y HA 0.528 5.078 4.550 -0.000 0.000 0.337 248 Y C -1.767 174.388 175.900 0.425 0.000 1.014 248 Y CA -2.668 55.559 58.100 0.212 0.000 1.111 248 Y CB 0.975 39.553 38.460 0.197 0.000 1.194 248 Y HN 0.258 nan 8.280 nan 0.000 0.462 249 F N 7.092 126.836 119.950 -0.342 0.000 2.427 249 F HA 0.423 4.950 4.527 -0.000 0.000 0.348 249 F C -1.060 174.362 175.800 -0.631 0.000 1.125 249 F CA -1.297 56.510 58.000 -0.322 0.000 0.989 249 F CB 0.931 39.724 39.000 -0.346 0.000 1.165 249 F HN 0.587 nan 8.300 nan 0.000 0.442 250 N N 7.723 125.946 118.700 -0.796 0.000 2.844 250 N HA 0.418 5.158 4.740 -0.000 0.000 0.268 250 N C -3.082 171.930 175.510 -0.830 0.000 1.574 250 N CA -2.254 50.232 53.050 -0.941 0.000 0.838 250 N CB 0.937 38.789 38.487 -1.059 0.000 1.177 250 N HN 0.123 nan 8.380 nan 0.000 0.495 251 P HA 0.082 nan 4.420 nan 0.000 0.271 251 P C -0.856 176.286 177.300 -0.264 0.000 1.218 251 P CA -0.289 62.429 63.100 -0.636 0.000 0.780 251 P CB 1.436 32.709 31.700 -0.711 0.000 0.901 252 V N 4.240 124.104 119.914 -0.084 0.000 2.577 252 V HA 0.397 4.517 4.120 -0.000 0.000 0.303 252 V C -0.935 175.206 176.094 0.078 0.000 1.042 252 V CA -0.950 61.364 62.300 0.024 0.000 0.872 252 V CB 1.337 33.216 31.823 0.093 0.000 0.998 252 V HN 0.240 nan 8.190 nan 0.000 0.423 253 I N 7.266 127.869 120.570 0.055 0.000 2.385 253 I HA 0.503 4.673 4.170 -0.000 0.000 0.294 253 I C -0.233 175.928 176.117 0.073 0.000 0.988 253 I CA -0.322 61.016 61.300 0.063 0.000 1.265 253 I CB 1.339 39.358 38.000 0.031 0.000 1.388 253 I HN 0.461 nan 8.210 nan 0.000 0.480 254 L N 5.460 126.730 121.223 0.079 0.000 2.323 254 L HA 0.532 4.872 4.340 -0.000 0.000 0.265 254 L C 0.191 177.097 176.870 0.059 0.000 1.012 254 L CA -0.784 54.099 54.840 0.070 0.000 0.820 254 L CB 1.289 43.390 42.059 0.069 0.000 1.334 254 L HN 0.550 nan 8.230 nan 0.000 0.427 255 R N 1.060 121.591 120.500 0.051 0.000 2.491 255 R HA 0.370 4.710 4.340 -0.000 0.000 0.283 255 R C -2.443 173.914 176.300 0.094 0.000 1.072 255 R CA -1.262 54.864 56.100 0.044 0.000 1.048 255 R CB -0.476 29.851 30.300 0.044 0.000 0.983 255 R HN 0.299 nan 8.270 nan 0.000 0.450 256 P HA -0.003 nan 4.420 nan 0.000 0.271 256 P C -1.172 176.266 177.300 0.229 0.000 1.220 256 P CA -0.195 63.029 63.100 0.206 0.000 0.768 256 P CB 0.813 32.614 31.700 0.169 0.000 0.848 257 N N 3.392 122.227 118.700 0.226 0.000 2.473 257 N HA 0.123 4.863 4.740 -0.000 0.000 0.291 257 N C 0.026 175.639 175.510 0.172 0.000 1.083 257 N CA -0.262 52.891 53.050 0.171 0.000 0.951 257 N CB 0.042 38.600 38.487 0.119 0.000 1.164 257 N HN 0.217 nan 8.380 nan 0.000 0.480 258 N N 0.983 119.762 118.700 0.132 0.000 2.714 258 N HA -0.160 4.580 4.740 -0.000 0.000 0.253 258 N C -1.135 174.455 175.510 0.132 0.000 1.024 258 N CA 0.410 53.520 53.050 0.101 0.000 0.726 258 N CB -1.253 37.272 38.487 0.063 0.000 0.908 258 N HN 0.288 nan 8.380 nan 0.000 0.542 259 V N 0.592 120.606 119.914 0.166 0.000 2.585 259 V HA 0.034 4.154 4.120 -0.000 0.000 0.296 259 V C 0.855 177.005 176.094 0.092 0.000 1.035 259 V CA 0.550 62.963 62.300 0.189 0.000 1.084 259 V CB 0.915 32.878 31.823 0.232 0.000 0.953 259 V HN 0.162 nan 8.190 nan 0.000 0.483 260 E N 3.536 123.800 120.200 0.106 0.000 2.281 260 E HA 0.462 4.812 4.350 -0.000 0.000 0.266 260 E C -1.560 175.064 176.600 0.041 0.000 0.893 260 E CA -0.539 55.893 56.400 0.054 0.000 0.798 260 E CB 2.469 32.187 29.700 0.030 0.000 1.245 260 E HN 0.423 nan 8.360 nan 0.000 0.410 261 V N 3.107 123.037 119.914 0.027 0.000 2.398 261 V HA 0.302 4.422 4.120 -0.000 0.000 0.286 261 V C -0.265 175.742 176.094 -0.145 0.000 1.026 261 V CA -0.552 61.703 62.300 -0.075 0.000 0.868 261 V CB 1.567 33.366 31.823 -0.041 0.000 0.982 261 V HN 0.626 nan 8.190 nan 0.000 0.443 262 E N 3.917 123.943 120.200 -0.291 0.000 2.210 262 E HA 0.533 4.883 4.350 -0.000 0.000 0.266 262 E C -1.641 174.691 176.600 -0.447 0.000 0.883 262 E CA -0.493 55.767 56.400 -0.234 0.000 0.761 262 E CB 2.334 31.964 29.700 -0.117 0.000 1.156 262 E HN 0.531 nan 8.360 nan 0.000 0.412 263 F N 3.029 122.947 119.950 -0.053 0.000 2.361 263 F HA 0.329 4.856 4.527 -0.000 0.000 0.364 263 F C -0.468 175.365 175.800 0.055 0.000 1.117 263 F CA -0.731 57.218 58.000 -0.085 0.000 1.071 263 F CB 0.533 39.368 39.000 -0.275 0.000 1.188 263 F HN 0.172 nan 8.300 nan 0.000 0.464 264 L N 4.101 125.453 121.223 0.216 0.000 2.334 264 L HA 0.658 4.998 4.340 -0.000 0.000 0.270 264 L C -0.967 176.031 176.870 0.214 0.000 1.018 264 L CA -0.888 54.053 54.840 0.168 0.000 0.811 264 L CB 1.638 43.744 42.059 0.079 0.000 1.271 264 L HN 0.429 nan 8.230 nan 0.000 0.443 265 L N 2.804 124.113 121.223 0.143 0.000 2.404 265 L HA 0.536 4.876 4.340 -0.000 0.000 0.272 265 L C -0.437 176.471 176.870 0.063 0.000 0.980 265 L CA -0.031 54.877 54.840 0.112 0.000 0.836 265 L CB 0.972 43.095 42.059 0.107 0.000 1.238 265 L HN 0.604 nan 8.230 nan 0.000 0.408 266 N N 4.247 122.975 118.700 0.046 0.000 2.727 266 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 266 N C 0.989 176.511 175.510 0.020 0.000 1.048 266 N CA 1.340 54.404 53.050 0.024 0.000 0.714 266 N CB -1.248 37.248 38.487 0.016 0.000 0.959 266 N HN 1.297 nan 8.380 nan 0.000 0.544 267 G N -1.702 107.113 108.800 0.024 0.000 2.225 267 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.254 267 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.254 267 G C -0.141 174.768 174.900 0.015 0.000 0.988 267 G CA 0.494 45.602 45.100 0.013 0.000 0.625 267 G HN 0.439 nan 8.290 nan 0.000 0.527 268 Q N 0.188 120.004 119.800 0.027 0.000 2.241 268 Q HA 0.588 4.928 4.340 -0.000 0.000 0.254 268 Q C 0.632 176.657 176.000 0.040 0.000 0.917 268 Q CA -0.619 55.199 55.803 0.026 0.000 0.919 268 Q CB 1.550 30.303 28.738 0.026 0.000 1.237 268 Q HN 0.496 nan 8.270 nan 0.000 0.434 269 I N 3.530 124.115 120.570 0.025 0.000 2.517 269 I HA -0.074 4.096 4.170 -0.000 0.000 0.285 269 I C 1.044 177.187 176.117 0.042 0.000 1.106 269 I CA -0.027 61.291 61.300 0.030 0.000 1.402 269 I CB 0.447 38.446 38.000 -0.001 0.000 1.399 269 I HN 0.509 nan 8.210 nan 0.000 0.535 270 I N 4.951 125.572 120.570 0.084 0.000 2.810 270 I HA 0.110 4.280 4.170 -0.000 0.000 0.262 270 I C 0.430 176.579 176.117 0.054 0.000 1.131 270 I CA 0.668 62.018 61.300 0.084 0.000 1.453 270 I CB -0.610 37.475 38.000 0.141 0.000 1.161 270 I HN 0.551 nan 8.210 nan 0.000 0.444 271 N N -0.436 118.318 118.700 0.089 0.000 2.235 271 N HA 0.435 5.175 4.740 -0.000 0.000 0.293 271 N C -0.717 174.772 175.510 -0.035 0.000 1.083 271 N CA -0.199 52.846 53.050 -0.010 0.000 0.801 271 N CB 2.649 41.183 38.487 0.078 0.000 1.559 271 N HN -0.123 nan 8.380 nan 0.000 0.472 272 T N 1.011 115.369 114.554 -0.326 0.000 2.952 272 T HA 0.553 4.903 4.350 -0.000 0.000 0.305 272 T C -1.997 172.380 174.700 -0.540 0.000 1.064 272 T CA -0.374 61.571 62.100 -0.259 0.000 1.008 272 T CB 0.373 69.159 68.868 -0.136 0.000 1.078 272 T HN 0.364 nan 8.240 nan 0.000 0.459 273 Y N 2.470 122.793 120.300 0.038 0.000 2.373 273 Y HA 0.540 5.090 4.550 -0.000 0.000 0.336 273 Y C -0.057 175.815 175.900 -0.046 0.000 0.979 273 Y CA -1.020 57.081 58.100 0.001 0.000 1.080 273 Y CB 2.288 40.764 38.460 0.026 0.000 1.190 273 Y HN 0.455 nan 8.280 nan 0.000 0.446 274 Q N 2.308 122.146 119.800 0.064 0.000 2.372 274 Q HA 0.614 4.954 4.340 -0.000 0.000 0.259 274 Q C 0.124 176.079 176.000 -0.074 0.000 0.993 274 Q CA 0.109 55.911 55.803 -0.002 0.000 0.854 274 Q CB 1.531 30.265 28.738 -0.006 0.000 1.231 274 Q HN 0.822 nan 8.270 nan 0.000 0.462 275 A N 3.151 125.870 122.820 -0.168 0.000 2.783 275 A HA -0.279 4.041 4.320 -0.000 0.000 0.292 275 A C 0.115 177.299 177.584 -0.667 0.000 1.495 275 A CA 1.324 53.115 52.037 -0.410 0.000 0.787 275 A CB -1.364 17.549 19.000 -0.144 0.000 1.017 275 A HN 0.592 nan 8.150 nan 0.000 0.516 276 R N -0.344 119.821 120.500 -0.559 0.000 2.215 276 R HA 0.620 4.960 4.340 -0.000 0.000 0.337 276 R C -0.679 175.315 176.300 -0.508 0.000 1.010 276 R CA -0.448 55.406 56.100 -0.410 0.000 0.871 276 R CB 0.187 30.412 30.300 -0.125 0.000 1.134 276 R HN 0.318 nan 8.270 nan 0.000 0.477 277 F N 3.108 123.064 119.950 0.010 0.000 2.397 277 F HA 0.661 5.188 4.527 -0.000 0.000 0.331 277 F C 1.419 177.209 175.800 -0.016 0.000 1.090 277 F CA 0.501 58.499 58.000 -0.003 0.000 1.065 277 F CB 2.043 41.048 39.000 0.007 0.000 1.184 277 F HN 0.799 nan 8.300 nan 0.000 0.499 278 G N 0.931 109.831 108.800 0.166 0.000 2.358 278 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.198 278 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.198 278 G C -1.053 173.859 174.900 0.020 0.000 1.220 278 G CA -0.918 44.228 45.100 0.077 0.000 1.187 278 G HN 0.615 nan 8.290 nan 0.000 0.544 279 T N 1.875 116.421 114.554 -0.014 0.000 2.744 279 T HA 0.614 4.964 4.350 -0.000 0.000 0.291 279 T C 0.418 175.043 174.700 -0.126 0.000 0.957 279 T CA 0.482 62.555 62.100 -0.045 0.000 1.002 279 T CB 0.459 69.316 68.868 -0.018 0.000 0.919 279 T HN 1.078 nan 8.240 nan 0.000 0.468 280 I N 0.330 120.777 120.570 -0.205 0.000 2.828 280 I HA 0.663 4.833 4.170 -0.000 0.000 0.302 280 I C -1.241 174.705 176.117 -0.285 0.000 1.101 280 I CA -1.489 59.566 61.300 -0.407 0.000 1.031 280 I CB 1.883 39.333 38.000 -0.917 0.000 1.231 280 I HN 0.270 nan 8.210 nan 0.000 0.427 281 I N 3.609 124.058 120.570 -0.202 0.000 2.377 281 I HA 0.558 4.728 4.170 -0.000 0.000 0.293 281 I C 0.267 176.297 176.117 -0.144 0.000 0.987 281 I CA -0.618 60.617 61.300 -0.107 0.000 1.185 281 I CB 1.463 39.459 38.000 -0.005 0.000 1.341 281 I HN 0.815 nan 8.210 nan 0.000 0.455 282 A N 6.969 129.601 122.820 -0.313 0.000 2.293 282 A HA 0.490 4.810 4.320 -0.000 0.000 0.312 282 A C 1.002 178.570 177.584 -0.027 0.000 1.309 282 A CA -0.731 51.006 52.037 -0.500 0.000 0.839 282 A CB 0.472 18.576 19.000 -1.493 0.000 1.155 282 A HN 0.816 nan 8.150 nan 0.000 0.501 283 R N 1.815 122.349 120.500 0.056 0.000 2.240 283 R HA 0.128 4.468 4.340 -0.000 0.000 0.203 283 R C 0.137 176.528 176.300 0.152 0.000 1.011 283 R CA 1.176 57.337 56.100 0.102 0.000 1.007 283 R CB 0.143 30.484 30.300 0.069 0.000 0.911 283 R HN 0.635 nan 8.270 nan 0.000 0.468 284 N N -0.066 118.786 118.700 0.253 0.000 3.063 284 N HA 0.185 4.925 4.740 -0.000 0.000 0.242 284 N C -1.833 173.864 175.510 0.310 0.000 1.146 284 N CA -0.761 52.398 53.050 0.182 0.000 0.974 284 N CB 0.955 39.504 38.487 0.102 0.000 1.584 284 N HN 0.178 nan 8.380 nan 0.000 0.636 285 F N 1.470 121.471 119.950 0.085 0.000 2.678 285 F HA 0.502 5.029 4.527 -0.000 0.000 0.308 285 F C -0.879 174.990 175.800 0.115 0.000 1.118 285 F CA -0.827 57.252 58.000 0.132 0.000 0.959 285 F CB 1.050 40.206 39.000 0.259 0.000 1.305 285 F HN 0.143 nan 8.300 nan 0.000 0.443 286 D N -1.100 119.385 120.400 0.143 0.000 2.500 286 D HA 0.286 4.926 4.640 -0.000 0.000 0.217 286 D C -0.308 176.104 176.300 0.187 0.000 1.159 286 D CA -0.042 53.988 54.000 0.051 0.000 0.828 286 D CB 0.903 41.717 40.800 0.022 0.000 1.039 286 D HN 0.527 nan 8.370 nan 0.000 0.512 287 T N 0.319 115.082 114.554 0.348 0.000 2.982 287 T HA 0.525 4.875 4.350 -0.000 0.000 0.321 287 T C -0.837 174.019 174.700 0.259 0.000 1.229 287 T CA -0.574 61.677 62.100 0.251 0.000 1.044 287 T CB 1.944 70.876 68.868 0.107 0.000 1.184 287 T HN -0.004 nan 8.240 nan 0.000 0.477 288 I N 2.178 122.810 120.570 0.104 0.000 2.465 288 I HA 0.580 4.750 4.170 -0.000 0.000 0.291 288 I C -0.071 175.935 176.117 -0.185 0.000 1.014 288 I CA -0.882 60.333 61.300 -0.141 0.000 1.093 288 I CB 2.029 39.969 38.000 -0.101 0.000 1.267 288 I HN 0.269 nan 8.210 nan 0.000 0.431 289 R N 6.554 126.908 120.500 -0.243 0.000 2.476 289 R HA 0.612 4.952 4.340 -0.000 0.000 0.305 289 R C -2.070 174.159 176.300 -0.120 0.000 0.965 289 R CA -0.738 55.267 56.100 -0.157 0.000 0.867 289 R CB 1.349 31.577 30.300 -0.120 0.000 1.176 289 R HN 0.494 nan 8.270 nan 0.000 0.447 290 L N 2.897 124.117 121.223 -0.005 0.000 2.287 290 L HA 0.440 4.780 4.340 -0.000 0.000 0.287 290 L C -0.398 176.634 176.870 0.269 0.000 1.022 290 L CA -0.196 54.720 54.840 0.127 0.000 0.814 290 L CB 1.986 44.157 42.059 0.187 0.000 1.217 290 L HN 0.508 nan 8.230 nan 0.000 0.420 291 S N 3.642 119.487 115.700 0.242 0.000 2.482 291 S HA 0.897 5.367 4.470 -0.000 0.000 0.303 291 S C -0.764 174.040 174.600 0.340 0.000 1.091 291 S CA -0.555 57.751 58.200 0.176 0.000 1.057 291 S CB 1.145 64.371 63.200 0.043 0.000 1.031 291 S HN 0.433 nan 8.310 nan 0.000 0.485 292 F N -0.122 119.902 119.950 0.122 0.000 2.693 292 F HA 0.723 5.250 4.527 -0.000 0.000 0.309 292 F C -1.057 174.868 175.800 0.208 0.000 1.129 292 F CA -1.207 56.885 58.000 0.154 0.000 0.948 292 F CB 1.156 40.257 39.000 0.168 0.000 1.315 292 F HN 0.365 nan 8.300 nan 0.000 0.447 293 Q N 1.466 121.428 119.800 0.271 0.000 2.451 293 Q HA 0.680 5.020 4.340 -0.000 0.000 0.281 293 Q C -1.938 174.226 176.000 0.273 0.000 1.099 293 Q CA -1.346 54.548 55.803 0.153 0.000 0.806 293 Q CB 3.352 32.109 28.738 0.032 0.000 1.419 293 Q HN 0.759 nan 8.270 nan 0.000 0.427 294 L N 1.516 122.870 121.223 0.218 0.000 2.305 294 L HA 0.596 4.936 4.340 -0.000 0.000 0.284 294 L C -1.348 175.556 176.870 0.057 0.000 1.013 294 L CA -0.148 54.816 54.840 0.207 0.000 0.819 294 L CB 1.351 43.596 42.059 0.310 0.000 1.227 294 L HN 0.726 nan 8.230 nan 0.000 0.417 295 M N 5.363 124.984 119.600 0.036 0.000 2.167 295 M HA 0.464 4.944 4.480 -0.000 0.000 0.333 295 M C -0.407 175.866 176.300 -0.046 0.000 1.030 295 M CA -0.715 54.579 55.300 -0.010 0.000 0.963 295 M CB 1.147 33.751 32.600 0.008 0.000 1.589 295 M HN 0.800 nan 8.290 nan 0.000 0.431 296 R N 5.846 126.297 120.500 -0.083 0.000 2.502 296 R HA 0.201 4.541 4.340 -0.000 0.000 0.292 296 R C -2.392 173.863 176.300 -0.075 0.000 0.998 296 R CA -0.904 55.116 56.100 -0.134 0.000 1.056 296 R CB 0.144 30.369 30.300 -0.126 0.000 0.939 296 R HN 0.379 nan 8.270 nan 0.000 0.411 297 P HA 0.004 nan 4.420 nan 0.000 0.262 297 P C -2.035 175.270 177.300 0.008 0.000 1.199 297 P CA -0.895 62.200 63.100 -0.007 0.000 0.763 297 P CB 0.641 32.359 31.700 0.030 0.000 0.790 298 P HA -0.102 nan 4.420 nan 0.000 0.221 298 P C -0.171 177.144 177.300 0.026 0.000 1.150 298 P CA 1.377 64.486 63.100 0.015 0.000 0.800 298 P CB 0.509 32.216 31.700 0.012 0.000 0.787 299 N N 0.301 119.020 118.700 0.032 0.000 2.346 299 N HA 0.398 5.138 4.740 -0.000 0.000 0.289 299 N C -0.527 175.011 175.510 0.047 0.000 1.027 299 N CA -0.279 52.792 53.050 0.036 0.000 0.864 299 N CB 1.898 40.402 38.487 0.029 0.000 1.370 299 N HN -0.003 nan 8.380 nan 0.000 0.481 300 M N 0.959 120.590 119.600 0.053 0.000 2.327 300 M HA 0.260 4.740 4.480 -0.000 0.000 0.298 300 M C 0.363 176.689 176.300 0.043 0.000 1.065 300 M CA -0.823 54.515 55.300 0.064 0.000 0.916 300 M CB 2.225 34.886 32.600 0.101 0.000 1.630 300 M HN 0.437 nan 8.290 nan 0.000 0.442 301 T N -0.720 113.853 114.554 0.032 0.000 2.813 301 T HA 0.241 4.591 4.350 -0.000 0.000 0.297 301 T C -2.110 172.593 174.700 0.006 0.000 1.036 301 T CA -1.194 60.915 62.100 0.015 0.000 1.044 301 T CB 0.286 69.158 68.868 0.006 0.000 0.993 301 T HN 0.360 nan 8.240 nan 0.000 0.535 302 P HA -0.138 nan 4.420 nan 0.000 0.216 302 P C 1.759 179.037 177.300 -0.037 0.000 1.157 302 P CA 1.816 64.909 63.100 -0.011 0.000 0.880 302 P CB -0.380 31.314 31.700 -0.011 0.000 0.791 303 A N -0.934 121.858 122.820 -0.047 0.000 1.940 303 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 303 A C 2.319 179.824 177.584 -0.132 0.000 1.176 303 A CA 1.998 53.983 52.037 -0.085 0.000 0.631 303 A CB -1.658 17.298 19.000 -0.073 0.000 0.814 303 A HN 0.066 nan 8.150 nan 0.000 0.446 304 V N -0.464 119.399 119.914 -0.084 0.000 2.346 304 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 304 V C 3.041 179.074 176.094 -0.100 0.000 1.037 304 V CA 1.625 63.873 62.300 -0.087 0.000 1.029 304 V CB -1.250 30.601 31.823 0.047 0.000 0.663 304 V HN 0.597 nan 8.190 nan 0.000 0.454 305 A N 0.375 123.191 122.820 -0.008 0.000 1.948 305 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 305 A C 2.368 179.934 177.584 -0.031 0.000 1.177 305 A CA 2.257 54.315 52.037 0.036 0.000 0.636 305 A CB -0.801 18.223 19.000 0.040 0.000 0.815 305 A HN 0.609 nan 8.150 nan 0.000 0.449 306 A N -0.622 122.139 122.820 -0.099 0.000 2.070 306 A HA 0.053 4.373 4.320 -0.000 0.000 0.220 306 A C 2.025 179.485 177.584 -0.206 0.000 1.159 306 A CA 1.381 53.350 52.037 -0.113 0.000 0.656 306 A CB -0.494 18.438 19.000 -0.113 0.000 0.800 306 A HN 0.511 nan 8.150 nan 0.000 0.453 307 L N -2.404 118.537 121.223 -0.470 0.000 2.270 307 L HA 0.108 4.448 4.340 -0.000 0.000 0.210 307 L C 0.059 176.556 176.870 -0.623 0.000 1.104 307 L CA 0.360 54.739 54.840 -0.768 0.000 0.804 307 L CB -0.104 41.100 42.059 -1.425 0.000 0.937 307 L HN 0.371 nan 8.230 nan 0.000 0.450 308 F N 1.482 121.470 119.950 0.063 0.000 2.371 308 F HA 0.358 4.885 4.527 -0.000 0.000 0.343 308 F C -1.947 173.925 175.800 0.120 0.000 1.150 308 F CA -2.258 55.793 58.000 0.085 0.000 1.220 308 F CB 0.203 39.221 39.000 0.031 0.000 1.475 308 F HN -0.128 nan 8.300 nan 0.000 0.521 309 P HA 0.165 nan 4.420 nan 0.000 0.274 309 P C -0.301 177.196 177.300 0.328 0.000 1.256 309 P CA -0.192 63.072 63.100 0.272 0.000 0.795 309 P CB 1.311 33.163 31.700 0.252 0.000 1.038 310 N N -0.806 118.034 118.700 0.233 0.000 2.457 310 N HA 0.121 4.861 4.740 -0.000 0.000 0.180 310 N C 0.476 176.140 175.510 0.257 0.000 1.050 310 N CA 0.366 53.548 53.050 0.220 0.000 0.906 310 N CB 0.043 38.611 38.487 0.135 0.000 0.968 310 N HN 0.490 nan 8.380 nan 0.000 0.445 311 A N 0.020 122.967 122.820 0.211 0.000 2.469 311 A HA 0.416 4.736 4.320 -0.000 0.000 0.299 311 A C -0.703 176.779 177.584 -0.170 0.000 1.098 311 A CA -0.754 51.316 52.037 0.056 0.000 0.737 311 A CB 1.196 20.205 19.000 0.015 0.000 1.312 311 A HN 0.035 nan 8.150 nan 0.000 0.414 312 Q N 1.266 120.726 119.800 -0.567 0.000 2.524 312 Q HA 0.289 4.629 4.340 -0.000 0.000 0.246 312 Q C -1.865 173.972 176.000 -0.272 0.000 1.063 312 Q CA -1.152 54.179 55.803 -0.786 0.000 0.945 312 Q CB -0.020 28.314 28.738 -0.674 0.000 1.292 312 Q HN 0.600 nan 8.270 nan 0.000 0.518 313 P HA 0.037 nan 4.420 nan 0.000 0.271 313 P C -1.236 176.067 177.300 0.005 0.000 1.216 313 P CA 0.357 63.386 63.100 -0.118 0.000 0.771 313 P CB 0.322 32.029 31.700 0.012 0.000 0.864 314 F N 1.521 121.594 119.950 0.205 0.000 2.350 314 F HA 0.192 4.719 4.527 -0.000 0.000 0.365 314 F C 1.577 177.510 175.800 0.223 0.000 1.122 314 F CA -0.404 57.746 58.000 0.249 0.000 1.139 314 F CB 1.082 40.287 39.000 0.341 0.000 1.220 314 F HN 0.342 nan 8.300 nan 0.000 0.499 315 E N 1.474 121.801 120.200 0.212 0.000 2.431 315 E HA 0.049 4.399 4.350 -0.000 0.000 0.200 315 E C -0.113 176.025 176.600 -0.769 0.000 0.995 315 E CA 0.270 56.569 56.400 -0.169 0.000 0.915 315 E CB 0.480 30.073 29.700 -0.178 0.000 0.930 315 E HN 0.521 nan 8.360 nan 0.000 0.496 316 H N 0.477 119.377 119.070 -0.283 0.000 2.589 316 H HA 0.281 4.837 4.556 -0.000 0.000 0.335 316 H C -0.848 174.356 175.328 -0.206 0.000 1.019 316 H CA -0.436 55.380 56.048 -0.387 0.000 1.213 316 H CB 0.774 30.372 29.762 -0.274 0.000 1.472 316 H HN 0.144 nan 8.280 nan 0.000 0.508 317 H N 1.220 120.221 119.070 -0.114 0.000 2.641 317 H HA 0.372 4.928 4.556 -0.000 0.000 0.295 317 H C 0.246 175.643 175.328 0.115 0.000 1.070 317 H CA -0.832 55.152 56.048 -0.108 0.000 1.257 317 H CB 0.880 30.321 29.762 -0.534 0.000 1.393 317 H HN 0.673 nan 8.280 nan 0.000 0.464 318 A N 3.913 126.932 122.820 0.331 0.000 2.566 318 A HA 0.179 4.499 4.320 -0.000 0.000 0.245 318 A C 0.149 177.907 177.584 0.290 0.000 1.056 318 A CA 0.290 52.467 52.037 0.234 0.000 0.757 318 A CB -0.088 18.922 19.000 0.016 0.000 0.979 318 A HN 0.707 nan 8.150 nan 0.000 0.508 319 T N 2.021 116.717 114.554 0.237 0.000 2.916 319 T HA 0.572 4.922 4.350 -0.000 0.000 0.298 319 T C -0.387 174.417 174.700 0.174 0.000 1.031 319 T CA -0.178 62.078 62.100 0.261 0.000 0.993 319 T CB 1.443 70.492 68.868 0.303 0.000 1.045 319 T HN 1.354 nan 8.240 nan 0.000 0.454 320 V N 0.028 120.038 119.914 0.159 0.000 2.823 320 V HA 1.106 5.226 4.120 -0.000 0.000 0.312 320 V C -0.028 176.097 176.094 0.052 0.000 1.072 320 V CA -0.598 61.788 62.300 0.144 0.000 0.937 320 V CB 1.602 33.594 31.823 0.282 0.000 1.013 320 V HN 1.128 nan 8.190 nan 0.000 0.430 321 G N 1.949 110.688 108.800 -0.102 0.000 2.687 321 G HA2 0.772 4.732 3.960 -0.000 0.000 0.291 321 G HA3 0.772 4.732 3.960 -0.000 0.000 0.291 321 G C -1.896 172.774 174.900 -0.384 0.000 1.420 321 G CA -0.921 44.000 45.100 -0.298 0.000 0.796 321 G HN 0.899 nan 8.290 nan 0.000 0.485 322 L N -0.527 120.466 121.223 -0.384 0.000 2.424 322 L HA 0.705 5.045 4.340 -0.000 0.000 0.258 322 L C -0.668 176.139 176.870 -0.106 0.000 0.995 322 L CA -0.810 53.885 54.840 -0.241 0.000 0.821 322 L CB 2.933 44.822 42.059 -0.283 0.000 1.383 322 L HN 0.533 nan 8.230 nan 0.000 0.410 323 T N 2.672 117.204 114.554 -0.036 0.000 2.879 323 T HA 0.601 4.950 4.350 -0.000 0.000 0.290 323 T C -1.140 173.599 174.700 0.065 0.000 0.993 323 T CA -0.343 61.767 62.100 0.016 0.000 0.975 323 T CB 1.778 70.650 68.868 0.007 0.000 0.981 323 T HN 0.387 nan 8.240 nan 0.000 0.439 324 L N 3.921 125.203 121.223 0.098 0.000 2.409 324 L HA 0.705 5.045 4.340 -0.000 0.000 0.272 324 L C -1.027 175.953 176.870 0.183 0.000 0.980 324 L CA -0.668 54.258 54.840 0.144 0.000 0.826 324 L CB 1.155 43.307 42.059 0.156 0.000 1.268 324 L HN 0.530 nan 8.230 nan 0.000 0.407 325 R N 5.944 126.551 120.500 0.177 0.000 2.513 325 R HA 0.515 4.855 4.340 -0.000 0.000 0.301 325 R C -1.146 175.266 176.300 0.186 0.000 0.968 325 R CA -0.755 55.458 56.100 0.188 0.000 0.872 325 R CB 2.275 32.660 30.300 0.141 0.000 1.177 325 R HN 0.597 nan 8.270 nan 0.000 0.444 326 I N 3.800 124.496 120.570 0.209 0.000 2.294 326 I HA 0.019 4.189 4.170 -0.000 0.000 0.295 326 I C 1.234 177.434 176.117 0.138 0.000 1.098 326 I CA -0.138 61.269 61.300 0.178 0.000 1.277 326 I CB 0.868 38.980 38.000 0.187 0.000 1.434 326 I HN 0.527 nan 8.210 nan 0.000 0.498 327 E N 3.740 124.025 120.200 0.141 0.000 2.047 327 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 327 E C 0.600 177.329 176.600 0.215 0.000 0.987 327 E CA 0.859 57.366 56.400 0.179 0.000 0.799 327 E CB 0.075 29.873 29.700 0.163 0.000 0.752 327 E HN 0.701 nan 8.360 nan 0.000 0.449 328 S N -1.198 114.606 115.700 0.172 0.000 2.570 328 S HA 0.810 5.280 4.470 -0.000 0.000 0.270 328 S C -0.798 173.895 174.600 0.155 0.000 1.149 328 S CA -0.393 57.919 58.200 0.188 0.000 0.837 328 S CB 2.635 65.941 63.200 0.177 0.000 1.124 328 S HN 0.276 nan 8.310 nan 0.000 0.465 329 A N 0.520 123.447 122.820 0.179 0.000 2.566 329 A HA 0.750 5.070 4.320 -0.000 0.000 0.290 329 A C -1.704 176.001 177.584 0.202 0.000 1.071 329 A CA -0.698 51.421 52.037 0.137 0.000 0.658 329 A CB 0.799 19.837 19.000 0.062 0.000 1.285 329 A HN 1.348 nan 8.150 nan 0.000 0.427 330 V N -0.272 119.727 119.914 0.143 0.000 2.628 330 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 330 V C -0.350 175.793 176.094 0.082 0.000 1.045 330 V CA -0.465 61.965 62.300 0.218 0.000 0.905 330 V CB 1.369 33.294 31.823 0.171 0.000 0.997 330 V HN 1.258 nan 8.190 nan 0.000 0.436 331 C N 2.889 122.269 119.300 0.134 0.000 2.626 331 C HA 0.456 4.916 4.460 -0.000 0.000 0.310 331 C C 1.361 176.446 174.990 0.159 0.000 1.191 331 C CA -0.354 58.657 59.018 -0.010 0.000 1.517 331 C CB 1.734 29.315 27.740 -0.265 0.000 2.102 331 C HN 1.082 nan 8.230 nan 0.000 0.479 332 E N 1.160 121.410 120.200 0.082 0.000 2.358 332 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 332 E C 0.301 176.940 176.600 0.065 0.000 1.010 332 E CA 0.584 57.061 56.400 0.130 0.000 0.856 332 E CB 0.358 30.086 29.700 0.047 0.000 0.795 332 E HN 0.680 nan 8.360 nan 0.000 0.504 333 S N 0.159 115.833 115.700 -0.044 0.000 2.537 333 S HA 0.282 4.752 4.470 -0.000 0.000 0.301 333 S C -0.373 174.114 174.600 -0.188 0.000 1.092 333 S CA -0.927 57.206 58.200 -0.111 0.000 1.048 333 S CB 1.939 65.104 63.200 -0.058 0.000 1.053 333 S HN 0.168 nan 8.310 nan 0.000 0.501 334 V N 1.908 121.687 119.914 -0.226 0.000 2.843 334 V HA 0.542 4.662 4.120 -0.000 0.000 0.305 334 V C -0.402 175.792 176.094 0.167 0.000 1.065 334 V CA -0.012 62.220 62.300 -0.113 0.000 1.116 334 V CB -0.439 31.372 31.823 -0.019 0.000 0.968 334 V HN 0.723 nan 8.190 nan 0.000 0.487 335 L N 2.464 123.870 121.223 0.306 0.000 2.479 335 L HA 0.823 5.163 4.340 -0.000 0.000 0.255 335 L C 0.162 177.147 176.870 0.192 0.000 1.026 335 L CA -0.737 54.243 54.840 0.233 0.000 0.842 335 L CB 2.082 44.104 42.059 -0.061 0.000 1.444 335 L HN 0.953 nan 8.230 nan 0.000 0.409 336 A N 0.613 123.187 122.820 -0.411 0.000 2.322 336 A HA 0.640 4.960 4.320 -0.000 0.000 0.269 336 A C -0.984 176.457 177.584 -0.238 0.000 1.094 336 A CA -0.079 51.641 52.037 -0.529 0.000 0.807 336 A CB 0.480 18.685 19.000 -1.325 0.000 1.047 336 A HN 0.781 nan 8.150 nan 0.000 0.487 337 D N -1.016 119.319 120.400 -0.109 0.000 2.812 337 D HA 0.492 5.132 4.640 -0.000 0.000 0.318 337 D C 0.166 176.412 176.300 -0.089 0.000 1.234 337 D CA 0.160 54.150 54.000 -0.017 0.000 0.989 337 D CB 0.970 41.914 40.800 0.239 0.000 1.442 337 D HN 0.484 nan 8.370 nan 0.000 0.537 338 A N -0.679 122.080 122.820 -0.101 0.000 2.251 338 A HA 0.291 4.611 4.320 -0.000 0.000 0.209 338 A C 1.257 178.804 177.584 -0.062 0.000 1.187 338 A CA 0.722 52.684 52.037 -0.125 0.000 0.823 338 A CB -0.338 18.524 19.000 -0.229 0.000 0.846 338 A HN 0.358 nan 8.150 nan 0.000 0.486 339 S N -0.845 114.841 115.700 -0.022 0.000 2.741 339 S HA 0.121 4.591 4.470 -0.000 0.000 0.245 339 S C 0.442 175.020 174.600 -0.037 0.000 1.083 339 S CA -0.330 57.877 58.200 0.013 0.000 0.873 339 S CB 0.218 63.469 63.200 0.086 0.000 0.814 339 S HN 0.639 nan 8.310 nan 0.000 0.476 340 E N 1.962 122.124 120.200 -0.064 0.000 2.354 340 E HA 0.162 4.512 4.350 -0.000 0.000 0.269 340 E C 0.443 176.937 176.600 -0.177 0.000 1.036 340 E CA 0.179 56.506 56.400 -0.121 0.000 0.876 340 E CB 0.774 30.400 29.700 -0.124 0.000 1.009 340 E HN 0.361 nan 8.360 nan 0.000 0.416 341 T N -0.133 114.300 114.554 -0.203 0.000 3.086 341 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 341 T C 1.400 175.918 174.700 -0.303 0.000 1.074 341 T CA -0.126 61.848 62.100 -0.210 0.000 0.988 341 T CB 0.054 68.831 68.868 -0.152 0.000 0.988 341 T HN 0.223 nan 8.240 nan 0.000 0.530 342 M N 1.209 120.529 119.600 -0.467 0.000 2.082 342 M HA 0.045 4.525 4.480 -0.000 0.000 0.258 342 M C 1.969 177.831 176.300 -0.731 0.000 1.071 342 M CA 1.475 56.337 55.300 -0.730 0.000 1.103 342 M CB -1.020 30.819 32.600 -1.269 0.000 1.307 342 M HN 0.352 nan 8.290 nan 0.000 0.409 343 L N 0.019 120.785 121.223 -0.761 0.000 2.012 343 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 343 L C 2.336 179.117 176.870 -0.148 0.000 1.073 343 L CA 2.323 57.000 54.840 -0.271 0.000 0.748 343 L CB -1.141 40.813 42.059 -0.176 0.000 0.891 343 L HN 0.293 nan 8.230 nan 0.000 0.431 344 A N -0.588 122.126 122.820 -0.178 0.000 1.933 344 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 344 A C 2.123 179.654 177.584 -0.088 0.000 1.175 344 A CA 1.831 53.802 52.037 -0.110 0.000 0.628 344 A CB -0.781 18.153 19.000 -0.110 0.000 0.814 344 A HN 0.649 nan 8.150 nan 0.000 0.444 345 N N 0.170 118.799 118.700 -0.119 0.000 2.080 345 N HA -0.120 4.620 4.740 -0.000 0.000 0.189 345 N C 1.821 177.316 175.510 -0.026 0.000 1.036 345 N CA 1.724 54.728 53.050 -0.076 0.000 0.846 345 N CB -0.519 37.907 38.487 -0.103 0.000 1.015 345 N HN 0.266 nan 8.380 nan 0.000 0.423 346 V N 1.408 121.311 119.914 -0.017 0.000 2.295 346 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 346 V C 2.279 178.398 176.094 0.040 0.000 1.049 346 V CA 1.843 64.172 62.300 0.048 0.000 1.024 346 V CB -1.026 30.865 31.823 0.113 0.000 0.648 346 V HN 0.350 nan 8.190 nan 0.000 0.447 347 T N -0.357 114.207 114.554 0.016 0.000 2.746 347 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 347 T C 2.130 176.840 174.700 0.016 0.000 1.039 347 T CA 1.830 63.940 62.100 0.017 0.000 1.142 347 T CB -0.261 68.612 68.868 0.009 0.000 0.866 347 T HN 0.481 nan 8.240 nan 0.000 0.444 348 S N 0.765 116.465 115.700 0.001 0.000 2.368 348 S HA -0.054 4.416 4.470 -0.000 0.000 0.224 348 S C 2.333 176.936 174.600 0.005 0.000 1.029 348 S CA 0.680 58.875 58.200 -0.009 0.000 0.988 348 S CB -0.431 62.754 63.200 -0.025 0.000 0.838 348 S HN 0.266 nan 8.310 nan 0.000 0.462 349 V N 2.016 121.961 119.914 0.051 0.000 2.343 349 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 349 V C 2.429 178.630 176.094 0.178 0.000 1.051 349 V CA 1.642 64.023 62.300 0.136 0.000 1.036 349 V CB -0.597 31.328 31.823 0.169 0.000 0.654 349 V HN 0.367 nan 8.190 nan 0.000 0.451 350 R N -0.419 120.159 120.500 0.129 0.000 2.081 350 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 350 R C 2.429 178.785 176.300 0.092 0.000 1.131 350 R CA 1.682 57.861 56.100 0.131 0.000 0.960 350 R CB -0.321 30.044 30.300 0.108 0.000 0.856 350 R HN 0.607 nan 8.270 nan 0.000 0.436 351 Q N 0.176 120.000 119.800 0.041 0.000 2.046 351 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 351 Q C 2.084 178.056 176.000 -0.045 0.000 0.975 351 Q CA 1.372 57.179 55.803 0.006 0.000 0.836 351 Q CB -0.034 28.699 28.738 -0.009 0.000 0.896 351 Q HN 0.389 nan 8.270 nan 0.000 0.428 352 E N 0.144 120.269 120.200 -0.125 0.000 2.085 352 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 352 E C 0.659 177.014 176.600 -0.408 0.000 0.994 352 E CA 1.017 57.229 56.400 -0.312 0.000 0.801 352 E CB 0.052 29.459 29.700 -0.489 0.000 0.743 352 E HN 0.453 nan 8.360 nan 0.000 0.453 353 Y N -0.541 119.774 120.300 0.024 0.000 2.495 353 Y HA 0.370 4.920 4.550 -0.000 0.000 0.293 353 Y C 0.696 176.613 175.900 0.029 0.000 1.186 353 Y CA 0.002 58.118 58.100 0.027 0.000 1.266 353 Y CB 0.482 38.961 38.460 0.030 0.000 1.101 353 Y HN 0.124 nan 8.280 nan 0.000 0.517 354 A N 0.536 123.416 122.820 0.100 0.000 2.704 354 A HA -0.230 4.090 4.320 -0.000 0.000 0.299 354 A C 0.113 177.756 177.584 0.100 0.000 1.507 354 A CA 0.209 52.295 52.037 0.081 0.000 0.776 354 A CB -2.324 16.715 19.000 0.065 0.000 1.027 354 A HN 0.320 nan 8.150 nan 0.000 0.475 355 I N 0.543 121.184 120.570 0.118 0.000 2.598 355 I HA 0.152 4.322 4.170 -0.000 0.000 0.284 355 I C -1.337 174.834 176.117 0.088 0.000 1.140 355 I CA -1.583 59.783 61.300 0.110 0.000 1.420 355 I CB -0.321 37.755 38.000 0.126 0.000 1.387 355 I HN 0.189 nan 8.210 nan 0.000 0.553 356 P HA 0.094 nan 4.420 nan 0.000 0.269 356 P C -0.344 177.001 177.300 0.074 0.000 1.215 356 P CA -0.415 62.724 63.100 0.065 0.000 0.780 356 P CB 0.464 32.196 31.700 0.054 0.000 0.898 357 V N 1.899 121.854 119.914 0.069 0.000 2.673 357 V HA 0.282 4.402 4.120 -0.000 0.000 0.303 357 V C 1.261 177.397 176.094 0.070 0.000 1.046 357 V CA 0.900 63.248 62.300 0.079 0.000 1.126 357 V CB 0.107 31.970 31.823 0.067 0.000 0.934 357 V HN 0.834 nan 8.190 nan 0.000 0.487 358 G N 4.532 113.381 108.800 0.082 0.000 2.795 358 G HA2 0.556 4.516 3.960 -0.000 0.000 0.267 358 G HA3 0.556 4.516 3.960 -0.000 0.000 0.267 358 G C -1.537 173.377 174.900 0.023 0.000 1.362 358 G CA -0.555 44.575 45.100 0.050 0.000 1.048 358 G HN 0.571 nan 8.290 nan 0.000 0.547 359 P HA 0.077 nan 4.420 nan 0.000 0.240 359 P C 1.237 178.497 177.300 -0.066 0.000 1.190 359 P CA 0.349 63.431 63.100 -0.028 0.000 0.781 359 P CB 0.574 32.254 31.700 -0.034 0.000 0.931 360 V N -0.953 118.880 119.914 -0.135 0.000 2.599 360 V HA 0.114 4.234 4.120 -0.000 0.000 0.237 360 V C 1.292 177.271 176.094 -0.191 0.000 1.081 360 V CA 0.624 62.766 62.300 -0.262 0.000 1.107 360 V CB -0.797 30.698 31.823 -0.546 0.000 0.808 360 V HN -0.119 nan 8.190 nan 0.000 0.486 361 F N 2.401 122.375 119.950 0.038 0.000 2.389 361 F HA 0.378 4.905 4.527 -0.000 0.000 0.337 361 F C -1.677 174.143 175.800 0.035 0.000 1.112 361 F CA -2.345 55.680 58.000 0.041 0.000 1.192 361 F CB 0.292 39.330 39.000 0.062 0.000 1.185 361 F HN 0.078 nan 8.300 nan 0.000 0.552 362 P HA 0.114 nan 4.420 nan 0.000 0.272 362 P C -2.694 174.682 177.300 0.127 0.000 1.230 362 P CA -1.396 61.784 63.100 0.134 0.000 0.788 362 P CB -0.081 31.672 31.700 0.088 0.000 0.949 363 P HA 0.011 nan 4.420 nan 0.000 0.262 363 P C 1.045 178.389 177.300 0.074 0.000 1.182 363 P CA 1.494 64.641 63.100 0.079 0.000 0.761 363 P CB -0.305 31.430 31.700 0.059 0.000 0.795 364 G N 3.827 112.671 108.800 0.073 0.000 2.166 364 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 364 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 364 G C 0.617 175.553 174.900 0.060 0.000 0.986 364 G CA 0.133 45.269 45.100 0.060 0.000 0.683 364 G HN 0.525 nan 8.290 nan 0.000 0.527 365 M N -0.793 118.846 119.600 0.064 0.000 2.576 365 M HA -0.159 4.321 4.480 -0.000 0.000 0.200 365 M C 0.516 176.866 176.300 0.084 0.000 0.487 365 M CA 0.881 56.197 55.300 0.026 0.000 0.553 365 M CB -2.552 30.035 32.600 -0.021 0.000 2.042 365 M HN 0.772 nan 8.290 nan 0.000 0.758 366 N N 1.053 119.803 118.700 0.084 0.000 2.374 366 N HA -0.120 4.620 4.740 -0.000 0.000 0.269 366 N C 1.103 176.684 175.510 0.118 0.000 1.310 366 N CA 0.488 53.597 53.050 0.099 0.000 0.877 366 N CB 0.227 38.752 38.487 0.064 0.000 1.096 366 N HN 0.621 nan 8.380 nan 0.000 0.484 367 W N 4.206 125.501 121.300 -0.008 0.000 2.355 367 W HA -0.202 4.458 4.660 -0.000 0.000 0.309 367 W C 1.400 177.916 176.519 -0.005 0.000 1.206 367 W CA 1.279 58.612 57.345 -0.020 0.000 1.284 367 W CB -0.280 29.176 29.460 -0.008 0.000 1.145 367 W HN 0.519 nan 8.180 nan 0.000 0.502 368 T N 1.196 115.746 114.554 -0.007 0.000 2.665 368 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 368 T C 1.077 175.683 174.700 -0.156 0.000 1.035 368 T CA 2.170 64.226 62.100 -0.073 0.000 1.151 368 T CB -0.589 68.338 68.868 0.098 0.000 0.862 368 T HN 0.072 nan 8.240 nan 0.000 0.438 369 D N 0.733 121.079 120.400 -0.090 0.000 2.117 369 D HA -0.016 4.624 4.640 -0.000 0.000 0.197 369 D C 2.097 178.305 176.300 -0.152 0.000 0.987 369 D CA 0.548 54.504 54.000 -0.075 0.000 0.829 369 D CB -0.497 40.296 40.800 -0.012 0.000 0.961 369 D HN 0.270 nan 8.370 nan 0.000 0.460 370 L N 0.094 121.161 121.223 -0.259 0.000 1.994 370 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 370 L C 2.265 178.790 176.870 -0.575 0.000 1.071 370 L CA 0.865 55.491 54.840 -0.357 0.000 0.745 370 L CB -0.108 41.696 42.059 -0.426 0.000 0.892 370 L HN -0.024 nan 8.230 nan 0.000 0.431 371 I N -0.831 119.167 120.570 -0.953 0.000 2.493 371 I HA -0.235 3.935 4.170 -0.000 0.000 0.254 371 I C 2.207 178.136 176.117 -0.312 0.000 1.160 371 I CA 1.534 62.338 61.300 -0.826 0.000 1.445 371 I CB -0.234 37.167 38.000 -0.999 0.000 1.086 371 I HN 0.190 nan 8.210 nan 0.000 0.433 372 T N 1.264 115.684 114.554 -0.223 0.000 2.777 372 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 372 T C 0.907 175.587 174.700 -0.033 0.000 1.040 372 T CA 1.190 63.243 62.100 -0.079 0.000 1.141 372 T CB -0.191 68.651 68.868 -0.043 0.000 0.868 372 T HN 0.272 nan 8.240 nan 0.000 0.444 373 N N 0.842 119.521 118.700 -0.034 0.000 2.886 373 N HA 0.142 4.882 4.740 -0.000 0.000 0.285 373 N C -1.333 174.221 175.510 0.073 0.000 1.706 373 N CA -0.153 52.906 53.050 0.015 0.000 0.904 373 N CB 0.313 38.805 38.487 0.008 0.000 1.224 373 N HN 0.487 nan 8.380 nan 0.000 0.488 374 Y N 2.223 122.463 120.300 -0.099 0.000 2.623 374 Y HA -0.015 4.535 4.550 -0.000 0.000 0.341 374 Y C 0.916 176.775 175.900 -0.068 0.000 1.292 374 Y CA -0.639 57.400 58.100 -0.101 0.000 1.840 374 Y CB -0.016 38.367 38.460 -0.129 0.000 1.865 374 Y HN 0.221 nan 8.280 nan 0.000 0.440 375 S N 2.678 118.408 115.700 0.050 0.000 2.589 375 S HA 0.140 4.610 4.470 -0.000 0.000 0.265 375 S C -1.821 172.691 174.600 -0.147 0.000 1.342 375 S CA -1.201 56.966 58.200 -0.055 0.000 1.005 375 S CB 1.240 64.423 63.200 -0.029 0.000 0.909 375 S HN 0.390 nan 8.310 nan 0.000 0.555 376 P HA -0.080 nan 4.420 nan 0.000 0.215 376 P C 1.844 179.066 177.300 -0.130 0.000 1.153 376 P CA 1.395 64.397 63.100 -0.165 0.000 0.853 376 P CB -0.121 31.506 31.700 -0.120 0.000 0.788 377 S N -0.809 114.833 115.700 -0.097 0.000 2.356 377 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 377 S C 1.993 176.536 174.600 -0.096 0.000 1.032 377 S CA 1.105 59.249 58.200 -0.094 0.000 1.005 377 S CB -0.541 62.601 63.200 -0.097 0.000 0.867 377 S HN -0.007 nan 8.310 nan 0.000 0.449 378 R N 0.757 121.228 120.500 -0.049 0.000 2.096 378 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 378 R C 2.448 178.879 176.300 0.218 0.000 1.127 378 R CA 1.527 57.673 56.100 0.077 0.000 0.968 378 R CB -0.647 29.801 30.300 0.247 0.000 0.861 378 R HN 0.667 nan 8.270 nan 0.000 0.440 379 E N 1.018 121.234 120.200 0.026 0.000 2.072 379 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 379 E C 1.119 177.712 176.600 -0.011 0.000 0.985 379 E CA 1.342 57.703 56.400 -0.064 0.000 0.801 379 E CB 0.119 29.512 29.700 -0.511 0.000 0.750 379 E HN 0.178 nan 8.360 nan 0.000 0.452 380 D N 0.442 120.817 120.400 -0.041 0.000 2.117 380 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 380 D C 1.706 178.049 176.300 0.071 0.000 0.982 380 D CA 0.718 54.711 54.000 -0.012 0.000 0.828 380 D CB -0.399 40.377 40.800 -0.040 0.000 0.967 380 D HN 0.215 nan 8.370 nan 0.000 0.464 381 N N 0.616 119.356 118.700 0.067 0.000 2.120 381 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 381 N C 2.025 177.751 175.510 0.360 0.000 1.024 381 N CA 0.300 53.433 53.050 0.138 0.000 0.852 381 N CB -0.176 38.220 38.487 -0.150 0.000 1.003 381 N HN 0.201 nan 8.380 nan 0.000 0.424 382 L N 1.490 122.943 121.223 0.384 0.000 2.046 382 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 382 L C 2.596 179.419 176.870 -0.077 0.000 1.077 382 L CA 1.435 56.330 54.840 0.092 0.000 0.747 382 L CB -0.383 41.639 42.059 -0.061 0.000 0.896 382 L HN 0.294 nan 8.230 nan 0.000 0.432 383 Q N -0.179 119.652 119.800 0.052 0.000 2.079 383 Q HA -0.270 4.070 4.340 -0.000 0.000 0.200 383 Q C 2.313 178.527 176.000 0.356 0.000 0.974 383 Q CA 1.569 57.471 55.803 0.166 0.000 0.840 383 Q CB -0.027 28.782 28.738 0.118 0.000 0.898 383 Q HN 0.339 nan 8.270 nan 0.000 0.430 384 R N -0.411 120.301 120.500 0.352 0.000 2.073 384 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 384 R C 2.142 178.644 176.300 0.337 0.000 1.134 384 R CA 1.504 57.859 56.100 0.426 0.000 0.952 384 R CB -0.305 30.203 30.300 0.346 0.000 0.850 384 R HN 0.229 nan 8.270 nan 0.000 0.433 385 V N 0.428 120.537 119.914 0.325 0.000 2.427 385 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 385 V C 1.965 178.312 176.094 0.421 0.000 1.051 385 V CA 1.679 64.173 62.300 0.324 0.000 1.048 385 V CB -0.368 31.659 31.823 0.341 0.000 0.666 385 V HN 0.345 nan 8.190 nan 0.000 0.456 386 F N -0.169 119.899 119.950 0.196 0.000 2.163 386 F HA -0.175 4.352 4.527 -0.000 0.000 0.297 386 F C 2.539 178.443 175.800 0.173 0.000 1.094 386 F CA 1.393 59.495 58.000 0.168 0.000 1.290 386 F CB -0.313 38.843 39.000 0.261 0.000 1.017 386 F HN 0.147 nan 8.300 nan 0.000 0.483 387 T N -0.210 114.650 114.554 0.510 0.000 2.746 387 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 387 T C 2.022 176.844 174.700 0.203 0.000 1.039 387 T CA 1.137 63.495 62.100 0.430 0.000 1.142 387 T CB -0.499 68.667 68.868 0.496 0.000 0.866 387 T HN 0.019 nan 8.240 nan 0.000 0.444 388 V N 1.636 121.651 119.914 0.169 0.000 2.358 388 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 388 V C 2.884 179.007 176.094 0.048 0.000 1.047 388 V CA 1.561 63.912 62.300 0.085 0.000 1.035 388 V CB -1.174 30.695 31.823 0.076 0.000 0.658 388 V HN 0.524 nan 8.190 nan 0.000 0.452 389 A N -0.684 122.164 122.820 0.048 0.000 1.933 389 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 389 A C 2.548 180.076 177.584 -0.094 0.000 1.175 389 A CA 2.244 54.262 52.037 -0.031 0.000 0.628 389 A CB -0.731 18.226 19.000 -0.073 0.000 0.814 389 A HN 0.485 nan 8.150 nan 0.000 0.444 390 S N -0.771 114.845 115.700 -0.141 0.000 2.402 390 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 390 S C 1.835 176.408 174.600 -0.045 0.000 1.021 390 S CA 1.122 59.197 58.200 -0.208 0.000 0.974 390 S CB -0.507 62.421 63.200 -0.453 0.000 0.800 390 S HN 0.493 nan 8.310 nan 0.000 0.484 391 I N 0.938 121.526 120.570 0.029 0.000 2.286 391 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 391 I C 2.751 178.879 176.117 0.019 0.000 1.104 391 I CA 1.128 62.478 61.300 0.083 0.000 1.397 391 I CB -0.315 37.747 38.000 0.104 0.000 1.072 391 I HN 0.287 nan 8.210 nan 0.000 0.417 392 R N 0.523 121.019 120.500 -0.007 0.000 2.081 392 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 392 R C 2.333 178.617 176.300 -0.028 0.000 1.131 392 R CA 1.791 57.878 56.100 -0.023 0.000 0.960 392 R CB -0.278 30.008 30.300 -0.025 0.000 0.856 392 R HN 0.148 nan 8.270 nan 0.000 0.436 393 S N -0.295 115.380 115.700 -0.042 0.000 2.595 393 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 393 S C 1.627 176.208 174.600 -0.031 0.000 0.974 393 S CA 0.690 58.861 58.200 -0.047 0.000 0.942 393 S CB -0.071 63.080 63.200 -0.081 0.000 0.766 393 S HN 0.370 nan 8.310 nan 0.000 0.536 394 M N -0.189 119.401 119.600 -0.017 0.000 2.447 394 M HA 0.173 4.653 4.480 -0.000 0.000 0.264 394 M C 1.350 177.641 176.300 -0.015 0.000 1.095 394 M CA 0.969 56.265 55.300 -0.007 0.000 1.125 394 M CB 0.111 32.714 32.600 0.004 0.000 1.389 394 M HN 0.346 nan 8.290 nan 0.000 0.459 395 L N -2.112 119.101 121.223 -0.018 0.000 2.694 395 L HA 0.250 4.590 4.340 -0.000 0.000 0.228 395 L C 0.026 176.889 176.870 -0.012 0.000 1.048 395 L CA -0.145 54.685 54.840 -0.015 0.000 0.887 395 L CB 0.973 43.023 42.059 -0.015 0.000 1.265 395 L HN -0.181 nan 8.230 nan 0.000 0.492 396 V N 1.370 121.276 119.914 -0.014 0.000 2.407 396 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 396 V C -0.359 175.726 176.094 -0.016 0.000 1.018 396 V CA -0.652 61.643 62.300 -0.009 0.000 0.842 396 V CB 1.744 33.564 31.823 -0.005 0.000 0.996 396 V HN 0.125 nan 8.190 nan 0.000 0.426 397 K N 0.000 120.391 120.400 -0.015 0.000 2.780 397 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 397 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 397 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 397 K HN 0.000 nan 8.250 nan 0.000 0.543