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 1hgy_1_A DATA FIRST_RESID 85 DATA SEQUENCE TATYSGNPFV GVTPWANAYY ASEVSSLAIP SLTGAMATAA AAVAKVPSFM DATA SEQUENCE WLDTLDKTPL MEQTLADIRT ANKNGGNYAG QFVVYDLPDR DcAALASNGE DATA SEQUENCE YSIADGGVAK YKNYIDTIRQ IVVEYSDIRT LLVIEPASLA NLVTNLGTPK DATA SEQUENCE cANAQSAYLE CINYAVTQLN LPNVAMYLDA GHAGWLGWPA NQDPAAQLFA DATA SEQUENCE NVYKNASSPR ALRGLATNVA NYNGWNITSP PSYTQGNAVY NEKLYIHAIG DATA SEQUENCE PLLANHGWSN AFFITDQGRS GKQPTGQQQW GDWcNVIGTG FGIRPSANTG DATA SEQUENCE DSLLDSFVWV KPGGECDGTS DSSAPRFDSH cALPDALQPA PQAGAWFQAY DATA SEQUENCE FVQLLTNANP SFL 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 85 T HA 0.000 nan 4.350 nan 0.000 0.228 85 T C 0.000 174.715 174.700 0.025 0.000 1.109 85 T CA 0.000 62.107 62.100 0.012 0.000 1.349 85 T CB 0.000 68.876 68.868 0.013 0.000 0.612 86 A N 2.042 124.880 122.820 0.031 0.000 1.855 86 A HA 0.273 4.592 4.320 -0.001 0.000 0.215 86 A C 1.677 179.329 177.584 0.113 0.000 1.191 86 A CA 1.743 53.809 52.037 0.050 0.000 0.613 86 A CB -1.384 17.642 19.000 0.042 0.000 0.829 86 A HN 1.755 nan 8.150 nan 0.000 0.442 87 T N -1.709 112.901 114.554 0.093 0.000 2.856 87 T HA 0.408 4.757 4.350 -0.001 0.000 0.306 87 T C -0.197 174.602 174.700 0.166 0.000 1.062 87 T CA 0.366 62.531 62.100 0.108 0.000 1.083 87 T CB 0.346 69.210 68.868 -0.006 0.000 0.984 87 T HN 0.856 nan 8.240 nan 0.000 0.542 88 Y N -1.089 119.194 120.300 -0.028 0.000 2.715 88 Y HA 0.771 5.320 4.550 -0.001 0.000 0.331 88 Y C -0.831 175.053 175.900 -0.026 0.000 1.197 88 Y CA -1.440 56.643 58.100 -0.029 0.000 1.079 88 Y CB 0.993 39.432 38.460 -0.036 0.000 1.298 88 Y HN 0.937 nan 8.280 nan 0.000 0.477 89 S N 0.148 115.860 115.700 0.019 0.000 2.720 89 S HA 0.759 5.228 4.470 -0.001 0.000 0.278 89 S C -0.185 174.451 174.600 0.060 0.000 1.172 89 S CA -0.221 57.949 58.200 -0.050 0.000 1.019 89 S CB 0.812 63.986 63.200 -0.044 0.000 1.049 89 S HN 2.470 nan 8.310 nan 0.000 0.483 90 G N 2.969 111.802 108.800 0.054 0.000 2.508 90 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.220 90 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.220 90 G C -0.469 174.460 174.900 0.048 0.000 1.287 90 G CA -0.353 44.746 45.100 -0.002 0.000 0.916 90 G HN 1.202 nan 8.290 nan 0.000 0.574 91 N N 2.663 121.325 118.700 -0.062 0.000 2.418 91 N HA 0.161 4.900 4.740 -0.001 0.000 0.277 91 N C -0.136 175.413 175.510 0.065 0.000 1.317 91 N CA -0.838 52.204 53.050 -0.014 0.000 0.922 91 N CB 0.877 39.345 38.487 -0.032 0.000 1.194 91 N HN 0.321 nan 8.380 nan 0.000 0.485 92 P HA -0.146 nan 4.420 nan 0.000 0.224 92 P C 0.549 177.666 177.300 -0.304 0.000 1.142 92 P CA 1.069 63.922 63.100 -0.413 0.000 0.778 92 P CB -0.067 31.175 31.700 -0.763 0.000 0.764 93 F N -0.781 119.109 119.950 -0.100 0.000 2.765 93 F HA 0.082 4.608 4.527 -0.002 0.000 0.302 93 F C 1.298 177.064 175.800 -0.057 0.000 1.111 93 F CA 0.072 58.029 58.000 -0.073 0.000 1.359 93 F CB 0.010 38.975 39.000 -0.058 0.000 1.097 93 F HN -0.335 nan 8.300 nan 0.000 0.577 94 V N 0.281 120.249 119.914 0.089 0.000 2.383 94 V HA 0.537 4.656 4.120 -0.001 0.000 0.275 94 V C 0.820 176.924 176.094 0.018 0.000 1.036 94 V CA 0.170 62.500 62.300 0.051 0.000 0.889 94 V CB 0.590 32.438 31.823 0.042 0.000 0.985 94 V HN 0.469 nan 8.190 nan 0.000 0.459 95 G N 4.080 112.883 108.800 0.006 0.000 2.144 95 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.218 95 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.218 95 G C -0.160 174.719 174.900 -0.034 0.000 0.988 95 G CA 0.145 45.239 45.100 -0.010 0.000 0.659 95 G HN 1.594 nan 8.290 nan 0.000 0.522 96 V N -4.126 115.762 119.914 -0.043 0.000 3.232 96 V HA 0.949 5.068 4.120 -0.001 0.000 0.303 96 V C -0.355 175.707 176.094 -0.052 0.000 1.311 96 V CA -0.368 61.892 62.300 -0.068 0.000 1.061 96 V CB 1.742 33.511 31.823 -0.091 0.000 1.085 96 V HN 0.596 nan 8.190 nan 0.000 0.447 97 T N 2.587 117.104 114.554 -0.063 0.000 2.824 97 T HA 0.635 4.984 4.350 -0.001 0.000 0.282 97 T C -2.951 171.835 174.700 0.142 0.000 0.993 97 T CA -1.236 60.863 62.100 -0.002 0.000 0.967 97 T CB 1.780 70.565 68.868 -0.139 0.000 0.960 97 T HN 0.704 nan 8.240 nan 0.000 0.441 98 P HA 0.049 nan 4.420 nan 0.000 0.271 98 P C -0.555 176.865 177.300 0.199 0.000 1.233 98 P CA -0.516 62.647 63.100 0.106 0.000 0.764 98 P CB 0.439 32.188 31.700 0.081 0.000 0.825 99 W N 5.140 126.424 121.300 -0.027 0.000 2.287 99 W HA 0.437 5.096 4.660 -0.001 0.000 0.313 99 W C -0.719 175.731 176.519 -0.115 0.000 1.267 99 W CA -0.690 56.605 57.345 -0.085 0.000 1.201 99 W CB 0.774 30.137 29.460 -0.160 0.000 1.196 99 W HN 0.333 nan 8.180 nan 0.000 0.536 100 A N 5.900 128.297 122.820 -0.704 0.000 2.347 100 A HA 0.187 4.506 4.320 -0.001 0.000 0.287 100 A C -0.021 177.210 177.584 -0.588 0.000 1.199 100 A CA -0.461 51.287 52.037 -0.481 0.000 0.851 100 A CB -0.315 18.433 19.000 -0.419 0.000 1.118 100 A HN 0.697 nan 8.150 nan 0.000 0.525 101 N N 2.098 120.756 118.700 -0.070 0.000 2.503 101 N HA 0.423 5.162 4.740 -0.001 0.000 0.267 101 N C 0.924 176.542 175.510 0.180 0.000 1.214 101 N CA 0.058 53.225 53.050 0.195 0.000 0.959 101 N CB 1.086 39.753 38.487 0.300 0.000 1.142 101 N HN 0.419 nan 8.380 nan 0.000 0.455 102 A N 0.934 123.898 122.820 0.240 0.000 1.933 102 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 102 A C 1.874 179.560 177.584 0.170 0.000 1.175 102 A CA 1.065 53.200 52.037 0.162 0.000 0.628 102 A CB -1.397 17.701 19.000 0.164 0.000 0.814 102 A HN 0.816 nan 8.150 nan 0.000 0.444 103 Y N -1.162 119.223 120.300 0.142 0.000 2.030 103 Y HA -0.335 4.215 4.550 -0.001 0.000 0.274 103 Y C 2.305 178.294 175.900 0.147 0.000 1.153 103 Y CA 2.524 60.711 58.100 0.145 0.000 1.115 103 Y CB -0.735 37.849 38.460 0.207 0.000 0.969 103 Y HN 0.418 nan 8.280 nan 0.000 0.488 104 Y N 0.359 120.864 120.300 0.341 0.000 2.181 104 Y HA -0.231 4.318 4.550 -0.001 0.000 0.288 104 Y C 2.444 178.351 175.900 0.011 0.000 1.146 104 Y CA 1.383 59.617 58.100 0.224 0.000 1.164 104 Y CB -1.057 37.572 38.460 0.282 0.000 0.982 104 Y HN 0.233 nan 8.280 nan 0.000 0.515 105 A N -1.007 121.822 122.820 0.016 0.000 1.892 105 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 105 A C 2.560 179.989 177.584 -0.259 0.000 1.188 105 A CA 2.293 54.246 52.037 -0.139 0.000 0.631 105 A CB -1.522 17.437 19.000 -0.067 0.000 0.822 105 A HN 0.502 nan 8.150 nan 0.000 0.447 106 S N -0.642 114.923 115.700 -0.225 0.000 2.368 106 S HA -0.212 4.257 4.470 -0.001 0.000 0.225 106 S C 1.912 176.241 174.600 -0.452 0.000 1.030 106 S CA 1.711 59.738 58.200 -0.289 0.000 0.999 106 S CB -0.431 62.618 63.200 -0.252 0.000 0.844 106 S HN 0.649 nan 8.310 nan 0.000 0.459 107 E N -0.067 119.790 120.200 -0.571 0.000 2.085 107 E HA -0.110 4.240 4.350 -0.001 0.000 0.194 107 E C 2.093 177.943 176.600 -1.249 0.000 0.994 107 E CA 1.519 57.395 56.400 -0.873 0.000 0.801 107 E CB -0.165 29.073 29.700 -0.769 0.000 0.743 107 E HN 0.404 nan 8.360 nan 0.000 0.453 108 V N 0.485 119.766 119.914 -1.056 0.000 2.591 108 V HA -0.143 3.976 4.120 -0.001 0.000 0.249 108 V C 2.007 177.752 176.094 -0.582 0.000 1.053 108 V CA 1.524 63.261 62.300 -0.938 0.000 1.068 108 V CB 0.059 31.467 31.823 -0.691 0.000 0.689 108 V HN 0.154 nan 8.190 nan 0.000 0.462 109 S N -0.682 114.751 115.700 -0.445 0.000 2.501 109 S HA 0.023 4.492 4.470 -0.001 0.000 0.220 109 S C 1.586 176.024 174.600 -0.269 0.000 0.997 109 S CA 0.718 58.744 58.200 -0.291 0.000 0.919 109 S CB 0.222 63.292 63.200 -0.216 0.000 0.778 109 S HN 0.525 nan 8.310 nan 0.000 0.523 110 S N 0.345 115.840 115.700 -0.341 0.000 2.846 110 S HA 0.470 4.939 4.470 -0.001 0.000 0.249 110 S C 0.577 174.986 174.600 -0.319 0.000 1.028 110 S CA -0.257 57.778 58.200 -0.274 0.000 1.043 110 S CB 0.391 63.452 63.200 -0.232 0.000 0.990 110 S HN 0.276 nan 8.310 nan 0.000 0.564 111 L N -0.991 119.962 121.223 -0.450 0.000 3.503 111 L HA 0.429 4.768 4.340 -0.001 0.000 0.327 111 L C 1.655 178.312 176.870 -0.354 0.000 1.108 111 L CA 0.475 55.035 54.840 -0.467 0.000 1.214 111 L CB 0.028 41.593 42.059 -0.823 0.000 1.806 111 L HN 0.294 nan 8.230 nan 0.000 0.610 112 A N -0.063 122.511 122.820 -0.411 0.000 1.988 112 A HA 0.266 4.585 4.320 -0.001 0.000 0.198 112 A C 1.849 179.397 177.584 -0.060 0.000 1.507 112 A CA 0.071 52.026 52.037 -0.135 0.000 0.901 112 A CB 0.001 18.829 19.000 -0.287 0.000 1.007 112 A HN 0.094 nan 8.150 nan 0.000 0.502 113 I N 0.695 121.184 120.570 -0.136 0.000 2.127 113 I HA -0.162 4.007 4.170 -0.001 0.000 0.241 113 I C -0.810 175.287 176.117 -0.032 0.000 1.075 113 I CA 1.551 62.815 61.300 -0.059 0.000 1.334 113 I CB -0.954 36.990 38.000 -0.094 0.000 1.040 113 I HN 0.171 nan 8.210 nan 0.000 0.405 114 P HA -0.106 nan 4.420 nan 0.000 0.227 114 P C 0.878 178.177 177.300 -0.003 0.000 1.145 114 P CA 1.240 64.319 63.100 -0.034 0.000 0.769 114 P CB 0.032 31.700 31.700 -0.054 0.000 0.769 115 S N -1.617 114.093 115.700 0.018 0.000 2.593 115 S HA 0.265 4.734 4.470 -0.001 0.000 0.236 115 S C 0.367 175.008 174.600 0.068 0.000 0.991 115 S CA -0.146 58.084 58.200 0.050 0.000 0.963 115 S CB -0.046 63.202 63.200 0.079 0.000 0.865 115 S HN 0.026 nan 8.310 nan 0.000 0.488 116 L N 1.152 122.411 121.223 0.060 0.000 2.350 116 L HA 0.675 5.014 4.340 -0.001 0.000 0.260 116 L C -0.297 176.601 176.870 0.047 0.000 1.015 116 L CA -0.700 54.182 54.840 0.070 0.000 0.821 116 L CB 2.345 44.466 42.059 0.102 0.000 1.370 116 L HN 0.045 nan 8.230 nan 0.000 0.416 117 T N -1.973 112.609 114.554 0.046 0.000 2.912 117 T HA 0.732 5.081 4.350 -0.001 0.000 0.299 117 T C 0.223 174.944 174.700 0.035 0.000 1.052 117 T CA -0.060 62.060 62.100 0.034 0.000 0.996 117 T CB 1.873 70.758 68.868 0.028 0.000 1.070 117 T HN 1.144 nan 8.240 nan 0.000 0.465 118 G N 2.157 110.974 108.800 0.029 0.000 2.565 118 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.295 118 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.295 118 G C 1.259 176.180 174.900 0.035 0.000 1.165 118 G CA 1.234 46.351 45.100 0.028 0.000 0.977 118 G HN 1.775 nan 8.290 nan 0.000 0.546 119 A N -1.062 121.781 122.820 0.038 0.000 1.842 119 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 119 A C 2.681 180.300 177.584 0.059 0.000 1.206 119 A CA 3.968 56.033 52.037 0.047 0.000 0.630 119 A CB -0.607 18.420 19.000 0.046 0.000 0.839 119 A HN 0.934 nan 8.150 nan 0.000 0.447 120 M N -0.437 119.201 119.600 0.064 0.000 2.103 120 M HA -0.279 4.200 4.480 -0.001 0.000 0.255 120 M C 2.436 178.792 176.300 0.093 0.000 1.074 120 M CA 2.086 57.436 55.300 0.083 0.000 1.090 120 M CB -1.813 30.838 32.600 0.086 0.000 1.325 120 M HN 0.545 nan 8.290 nan 0.000 0.403 121 A N -0.959 121.905 122.820 0.074 0.000 2.019 121 A HA -0.108 4.211 4.320 -0.001 0.000 0.219 121 A C 2.308 179.918 177.584 0.044 0.000 1.164 121 A CA 2.082 54.155 52.037 0.060 0.000 0.644 121 A CB -0.860 18.163 19.000 0.038 0.000 0.805 121 A HN 0.545 nan 8.150 nan 0.000 0.449 122 T N -0.772 113.809 114.554 0.045 0.000 3.009 122 T HA 0.243 4.592 4.350 -0.001 0.000 0.258 122 T C 2.170 176.897 174.700 0.046 0.000 1.063 122 T CA 0.935 63.058 62.100 0.037 0.000 1.139 122 T CB -0.105 68.786 68.868 0.037 0.000 0.890 122 T HN 0.538 nan 8.240 nan 0.000 0.471 123 A N 1.511 124.369 122.820 0.064 0.000 1.872 123 A HA 0.326 4.646 4.320 -0.001 0.000 0.214 123 A C 2.606 180.184 177.584 -0.010 0.000 1.187 123 A CA 1.517 53.596 52.037 0.070 0.000 0.614 123 A CB -1.076 17.991 19.000 0.112 0.000 0.826 123 A HN 0.451 nan 8.150 nan 0.000 0.442 124 A N 0.118 122.974 122.820 0.061 0.000 1.917 124 A HA 0.075 4.394 4.320 -0.001 0.000 0.219 124 A C 2.445 180.048 177.584 0.032 0.000 1.182 124 A CA 2.222 54.349 52.037 0.149 0.000 0.633 124 A CB -1.016 18.164 19.000 0.299 0.000 0.819 124 A HN 1.133 nan 8.150 nan 0.000 0.448 125 A N -0.600 122.219 122.820 -0.002 0.000 2.070 125 A HA 0.213 4.532 4.320 -0.001 0.000 0.220 125 A C 2.347 179.901 177.584 -0.050 0.000 1.159 125 A CA 1.866 53.880 52.037 -0.038 0.000 0.656 125 A CB -0.682 18.301 19.000 -0.028 0.000 0.800 125 A HN 0.997 nan 8.150 nan 0.000 0.453 126 A N -0.689 122.098 122.820 -0.055 0.000 1.898 126 A HA 0.132 4.451 4.320 -0.001 0.000 0.214 126 A C 2.128 179.630 177.584 -0.137 0.000 1.183 126 A CA 1.284 53.296 52.037 -0.041 0.000 0.622 126 A CB -0.744 18.296 19.000 0.067 0.000 0.824 126 A HN 0.322 nan 8.150 nan 0.000 0.444 127 V N 0.262 119.952 119.914 -0.373 0.000 2.324 127 V HA -0.296 3.823 4.120 -0.001 0.000 0.250 127 V C 2.902 178.967 176.094 -0.048 0.000 1.060 127 V CA 1.952 63.961 62.300 -0.485 0.000 1.042 127 V CB -1.142 30.362 31.823 -0.532 0.000 0.650 127 V HN 0.584 nan 8.190 nan 0.000 0.450 128 A N -0.904 121.916 122.820 0.001 0.000 2.216 128 A HA -0.127 4.192 4.320 -0.001 0.000 0.214 128 A C 2.113 179.709 177.584 0.020 0.000 1.160 128 A CA 1.140 53.215 52.037 0.064 0.000 0.725 128 A CB -0.347 18.600 19.000 -0.088 0.000 0.784 128 A HN 0.592 nan 8.150 nan 0.000 0.472 129 K N -0.461 119.917 120.400 -0.038 0.000 2.379 129 K HA 0.164 4.483 4.320 -0.001 0.000 0.194 129 K C -0.269 176.269 176.600 -0.104 0.000 1.031 129 K CA 0.011 56.246 56.287 -0.085 0.000 1.037 129 K CB 0.441 32.898 32.500 -0.071 0.000 0.824 129 K HN 0.285 nan 8.250 nan 0.000 0.516 130 V N 5.155 125.008 119.914 -0.100 0.000 2.488 130 V HA 0.083 4.202 4.120 -0.001 0.000 0.277 130 V C -2.037 173.948 176.094 -0.181 0.000 1.046 130 V CA -1.756 60.405 62.300 -0.231 0.000 0.986 130 V CB 0.572 32.097 31.823 -0.495 0.000 0.989 130 V HN 0.124 nan 8.190 nan 0.000 0.475 131 P HA 0.188 nan 4.420 nan 0.000 0.271 131 P C -0.525 176.771 177.300 -0.007 0.000 1.220 131 P CA 0.128 63.169 63.100 -0.098 0.000 0.768 131 P CB 0.982 32.638 31.700 -0.073 0.000 0.848 132 S N 2.236 117.981 115.700 0.075 0.000 2.588 132 S HA 0.603 5.072 4.470 -0.001 0.000 0.275 132 S C -0.582 174.148 174.600 0.217 0.000 1.130 132 S CA -0.795 57.552 58.200 0.244 0.000 0.855 132 S CB 0.709 64.022 63.200 0.189 0.000 1.116 132 S HN 0.097 nan 8.310 nan 0.000 0.472 133 F N 1.799 121.797 119.950 0.081 0.000 2.471 133 F HA 0.367 4.893 4.527 -0.002 0.000 0.353 133 F C 0.739 176.613 175.800 0.124 0.000 1.113 133 F CA -0.599 57.405 58.000 0.006 0.000 1.262 133 F CB 0.893 39.843 39.000 -0.083 0.000 1.146 133 F HN 0.583 nan 8.300 nan 0.000 0.578 134 M N 4.360 124.078 119.600 0.197 0.000 2.157 134 M HA 0.284 4.763 4.480 -0.001 0.000 0.354 134 M C -1.607 174.920 176.300 0.379 0.000 1.170 134 M CA -0.496 54.994 55.300 0.317 0.000 1.060 134 M CB 0.636 33.426 32.600 0.316 0.000 1.615 134 M HN 0.544 nan 8.290 nan 0.000 0.460 135 W N 5.923 127.306 121.300 0.138 0.000 2.316 135 W HA 0.352 5.011 4.660 -0.001 0.000 0.311 135 W C -0.619 175.988 176.519 0.147 0.000 1.217 135 W CA -0.380 57.063 57.345 0.164 0.000 1.199 135 W CB 0.447 29.979 29.460 0.120 0.000 1.202 135 W HN 0.534 nan 8.180 nan 0.000 0.528 136 L N 5.011 126.467 121.223 0.388 0.000 2.783 136 L HA 0.089 4.428 4.340 -0.001 0.000 0.235 136 L C 1.320 178.430 176.870 0.400 0.000 1.260 136 L CA -0.218 54.807 54.840 0.308 0.000 1.184 136 L CB -0.313 41.879 42.059 0.221 0.000 1.472 136 L HN 0.502 nan 8.230 nan 0.000 0.426 137 D N -0.484 120.154 120.400 0.396 0.000 2.378 137 D HA -0.066 4.573 4.640 -0.001 0.000 0.227 137 D C 0.506 176.885 176.300 0.132 0.000 1.012 137 D CA 0.418 54.629 54.000 0.352 0.000 0.905 137 D CB 0.103 41.147 40.800 0.406 0.000 0.895 137 D HN 0.427 nan 8.370 nan 0.000 0.532 138 T N -3.832 110.814 114.554 0.153 0.000 2.889 138 T HA 0.303 4.652 4.350 -0.001 0.000 0.315 138 T C 0.574 175.396 174.700 0.203 0.000 1.291 138 T CA -0.904 61.234 62.100 0.064 0.000 1.028 138 T CB 1.560 70.450 68.868 0.035 0.000 1.235 138 T HN -0.114 nan 8.240 nan 0.000 0.491 139 L N 1.541 122.887 121.223 0.206 0.000 2.042 139 L HA -0.001 4.338 4.340 -0.001 0.000 0.210 139 L C 2.070 179.031 176.870 0.152 0.000 1.076 139 L CA 2.458 57.478 54.840 0.300 0.000 0.749 139 L CB -0.828 41.424 42.059 0.322 0.000 0.893 139 L HN 0.920 nan 8.230 nan 0.000 0.432 140 D N -1.330 119.137 120.400 0.112 0.000 2.379 140 D HA -0.210 4.429 4.640 -0.001 0.000 0.243 140 D C 1.543 177.891 176.300 0.079 0.000 1.088 140 D CA 0.385 54.434 54.000 0.082 0.000 0.925 140 D CB -0.022 40.822 40.800 0.073 0.000 0.888 140 D HN 0.294 nan 8.370 nan 0.000 0.529 141 K N 0.500 120.954 120.400 0.089 0.000 2.361 141 K HA 0.005 4.324 4.320 -0.001 0.000 0.194 141 K C 1.988 178.601 176.600 0.023 0.000 1.032 141 K CA 0.611 56.944 56.287 0.076 0.000 1.048 141 K CB -0.017 32.546 32.500 0.105 0.000 0.842 141 K HN 0.171 nan 8.250 nan 0.000 0.526 142 T N -1.619 112.934 114.554 -0.002 0.000 2.833 142 T HA -0.023 4.327 4.350 -0.001 0.000 0.269 142 T C -1.139 173.514 174.700 -0.079 0.000 1.054 142 T CA 0.534 62.584 62.100 -0.083 0.000 1.135 142 T CB -1.087 67.720 68.868 -0.102 0.000 0.869 142 T HN 0.058 nan 8.240 nan 0.000 0.466 143 P HA 0.058 nan 4.420 nan 0.000 0.217 143 P C 1.655 178.943 177.300 -0.020 0.000 1.150 143 P CA 0.775 63.864 63.100 -0.017 0.000 0.832 143 P CB -0.263 31.447 31.700 0.016 0.000 0.787 144 L N -1.859 119.370 121.223 0.009 0.000 2.131 144 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 144 L C 2.615 179.477 176.870 -0.013 0.000 1.092 144 L CA 1.330 56.196 54.840 0.043 0.000 0.759 144 L CB -0.744 41.382 42.059 0.113 0.000 0.903 144 L HN 0.037 nan 8.230 nan 0.000 0.435 145 M N 0.066 119.591 119.600 -0.125 0.000 2.086 145 M HA -0.266 4.213 4.480 -0.001 0.000 0.261 145 M C 2.260 178.358 176.300 -0.336 0.000 1.067 145 M CA 1.939 57.031 55.300 -0.346 0.000 1.116 145 M CB -0.111 32.135 32.600 -0.590 0.000 1.348 145 M HN 0.234 nan 8.290 nan 0.000 0.407 146 E N -0.251 119.788 120.200 -0.268 0.000 2.118 146 E HA -0.272 4.077 4.350 -0.001 0.000 0.195 146 E C 1.912 178.357 176.600 -0.259 0.000 0.992 146 E CA 1.645 57.875 56.400 -0.284 0.000 0.804 146 E CB -0.033 29.593 29.700 -0.124 0.000 0.741 146 E HN 0.657 nan 8.360 nan 0.000 0.458 147 Q N -0.545 119.182 119.800 -0.122 0.000 2.079 147 Q HA -0.100 4.239 4.340 -0.001 0.000 0.200 147 Q C 2.198 178.152 176.000 -0.077 0.000 0.974 147 Q CA 1.889 57.654 55.803 -0.063 0.000 0.840 147 Q CB 0.099 28.841 28.738 0.006 0.000 0.898 147 Q HN 0.259 nan 8.270 nan 0.000 0.430 148 T N 1.270 115.801 114.554 -0.038 0.000 2.746 148 T HA -0.123 4.226 4.350 -0.001 0.000 0.267 148 T C 1.789 176.368 174.700 -0.202 0.000 1.039 148 T CA 0.907 63.011 62.100 0.006 0.000 1.142 148 T CB -0.188 68.807 68.868 0.212 0.000 0.866 148 T HN 0.176 nan 8.240 nan 0.000 0.444 149 L N 0.586 121.644 121.223 -0.275 0.000 2.141 149 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 149 L C 2.979 179.550 176.870 -0.499 0.000 1.094 149 L CA 0.967 55.525 54.840 -0.470 0.000 0.763 149 L CB -0.600 40.992 42.059 -0.780 0.000 0.908 149 L HN 0.250 nan 8.230 nan 0.000 0.437 150 A N -0.013 122.563 122.820 -0.407 0.000 1.908 150 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 150 A C 1.923 179.448 177.584 -0.098 0.000 1.181 150 A CA 2.048 54.031 52.037 -0.089 0.000 0.627 150 A CB -0.499 18.494 19.000 -0.012 0.000 0.818 150 A HN 0.358 nan 8.150 nan 0.000 0.445 151 D N 0.110 120.399 120.400 -0.186 0.000 2.084 151 D HA -0.125 4.514 4.640 -0.001 0.000 0.194 151 D C 1.946 177.964 176.300 -0.471 0.000 0.990 151 D CA 1.270 55.130 54.000 -0.233 0.000 0.826 151 D CB -0.457 40.249 40.800 -0.156 0.000 0.971 151 D HN 0.507 nan 8.370 nan 0.000 0.453 152 I N 0.925 121.036 120.570 -0.765 0.000 2.118 152 I HA -0.321 3.848 4.170 -0.001 0.000 0.241 152 I C 2.695 178.618 176.117 -0.323 0.000 1.070 152 I CA 1.230 62.032 61.300 -0.830 0.000 1.327 152 I CB -0.333 37.241 38.000 -0.709 0.000 1.034 152 I HN -0.009 nan 8.210 nan 0.000 0.405 153 R N 0.576 120.985 120.500 -0.152 0.000 2.133 153 R HA -0.208 4.131 4.340 -0.001 0.000 0.247 153 R C 2.180 178.468 176.300 -0.020 0.000 1.151 153 R CA 2.307 58.401 56.100 -0.010 0.000 0.971 153 R CB -0.431 29.941 30.300 0.120 0.000 0.866 153 R HN 0.305 nan 8.270 nan 0.000 0.447 154 T N 0.593 115.118 114.554 -0.048 0.000 2.614 154 T HA -0.107 4.242 4.350 -0.001 0.000 0.263 154 T C 1.857 176.558 174.700 0.003 0.000 1.055 154 T CA 1.646 63.734 62.100 -0.019 0.000 1.162 154 T CB -0.455 68.400 68.868 -0.022 0.000 0.863 154 T HN 0.521 nan 8.240 nan 0.000 0.414 155 A N 2.323 125.130 122.820 -0.022 0.000 1.948 155 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 155 A C 2.158 179.837 177.584 0.158 0.000 1.177 155 A CA 1.700 53.797 52.037 0.100 0.000 0.636 155 A CB -0.699 18.373 19.000 0.120 0.000 0.815 155 A HN 0.411 nan 8.150 nan 0.000 0.449 156 N N 0.115 118.882 118.700 0.110 0.000 2.381 156 N HA -0.121 4.618 4.740 -0.001 0.000 0.182 156 N C 1.570 177.113 175.510 0.054 0.000 1.025 156 N CA 1.497 54.605 53.050 0.097 0.000 0.888 156 N CB -0.236 38.287 38.487 0.060 0.000 0.965 156 N HN 0.854 nan 8.380 nan 0.000 0.438 157 K N -0.478 119.947 120.400 0.042 0.000 2.365 157 K HA 0.091 4.410 4.320 -0.001 0.000 0.197 157 K C -0.113 176.507 176.600 0.034 0.000 1.042 157 K CA 0.571 56.875 56.287 0.028 0.000 0.987 157 K CB 0.113 32.624 32.500 0.017 0.000 0.779 157 K HN -0.104 nan 8.250 nan 0.000 0.484 158 N N 1.390 120.121 118.700 0.053 0.000 3.025 158 N HA 0.184 4.923 4.740 -0.001 0.000 0.315 158 N C -0.760 174.788 175.510 0.063 0.000 1.511 158 N CA 0.321 53.404 53.050 0.054 0.000 1.097 158 N CB 1.150 39.676 38.487 0.064 0.000 1.395 158 N HN 0.422 nan 8.380 nan 0.000 0.511 159 G N -0.016 108.811 108.800 0.045 0.000 2.359 159 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.298 159 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.298 159 G C 0.220 175.145 174.900 0.041 0.000 1.030 159 G CA 0.171 45.291 45.100 0.034 0.000 1.149 159 G HN 0.625 nan 8.290 nan 0.000 0.512 160 G N -0.514 108.316 108.800 0.051 0.000 2.612 160 G HA2 0.594 4.553 3.960 -0.001 0.000 0.298 160 G HA3 0.594 4.553 3.960 -0.001 0.000 0.298 160 G C -0.755 174.114 174.900 -0.053 0.000 1.336 160 G CA -0.725 44.397 45.100 0.037 0.000 0.953 160 G HN 0.239 nan 8.290 nan 0.000 0.482 161 N N 0.627 119.155 118.700 -0.287 0.000 2.746 161 N HA 0.341 5.080 4.740 -0.001 0.000 0.250 161 N C -1.567 173.737 175.510 -0.344 0.000 1.146 161 N CA -0.164 52.749 53.050 -0.228 0.000 0.828 161 N CB 1.119 39.499 38.487 -0.177 0.000 1.158 161 N HN 0.408 nan 8.380 nan 0.000 0.519 162 Y N 0.155 120.472 120.300 0.029 0.000 2.509 162 Y HA 0.732 5.281 4.550 -0.002 0.000 0.341 162 Y C 0.250 176.127 175.900 -0.037 0.000 1.038 162 Y CA -0.924 57.206 58.100 0.051 0.000 1.089 162 Y CB 1.842 40.399 38.460 0.161 0.000 1.241 162 Y HN 0.290 nan 8.280 nan 0.000 0.468 163 A N 0.506 123.404 122.820 0.129 0.000 2.413 163 A HA 0.821 5.140 4.320 -0.001 0.000 0.307 163 A C -0.391 177.132 177.584 -0.101 0.000 1.087 163 A CA -0.453 51.559 52.037 -0.041 0.000 0.750 163 A CB 1.030 19.943 19.000 -0.144 0.000 1.296 163 A HN 0.894 nan 8.150 nan 0.000 0.423 164 G N -0.008 108.681 108.800 -0.184 0.000 2.367 164 G HA2 0.558 4.517 3.960 -0.001 0.000 0.314 164 G HA3 0.558 4.517 3.960 -0.001 0.000 0.314 164 G C -0.777 173.680 174.900 -0.739 0.000 1.130 164 G CA -0.399 44.465 45.100 -0.392 0.000 0.864 164 G HN 0.728 nan 8.290 nan 0.000 0.486 165 Q N 0.588 119.633 119.800 -1.258 0.000 2.330 165 Q HA 0.596 4.935 4.340 -0.001 0.000 0.269 165 Q C -1.579 173.526 176.000 -1.492 0.000 1.022 165 Q CA -0.406 54.518 55.803 -1.466 0.000 0.796 165 Q CB 2.546 29.991 28.738 -2.155 0.000 1.271 165 Q HN 0.486 nan 8.270 nan 0.000 0.450 166 F N -0.083 119.750 119.950 -0.196 0.000 2.613 166 F HA 0.529 5.055 4.527 -0.001 0.000 0.310 166 F C -0.501 175.393 175.800 0.157 0.000 1.085 166 F CA -1.163 56.852 58.000 0.026 0.000 0.945 166 F CB 1.477 40.467 39.000 -0.016 0.000 1.298 166 F HN 0.152 nan 8.300 nan 0.000 0.455 167 V N 2.691 122.702 119.914 0.162 0.000 2.398 167 V HA 0.440 4.559 4.120 -0.001 0.000 0.286 167 V C -0.509 175.624 176.094 0.064 0.000 1.026 167 V CA -0.880 61.338 62.300 -0.137 0.000 0.868 167 V CB 1.638 32.854 31.823 -1.011 0.000 0.982 167 V HN 0.533 nan 8.190 nan 0.000 0.443 168 V N 5.907 125.899 119.914 0.130 0.000 2.368 168 V HA 0.300 4.419 4.120 -0.001 0.000 0.266 168 V C -0.739 175.581 176.094 0.376 0.000 1.045 168 V CA -0.276 62.197 62.300 0.288 0.000 0.899 168 V CB 0.448 32.430 31.823 0.265 0.000 1.006 168 V HN 0.808 nan 8.190 nan 0.000 0.470 169 Y N 4.313 124.778 120.300 0.275 0.000 2.517 169 Y HA 0.506 5.056 4.550 -0.001 0.000 0.346 169 Y C -0.275 175.717 175.900 0.152 0.000 1.113 169 Y CA -0.899 57.337 58.100 0.226 0.000 1.295 169 Y CB 1.130 39.786 38.460 0.327 0.000 1.094 169 Y HN 0.649 nan 8.280 nan 0.000 0.608 170 D N 3.159 123.504 120.400 -0.091 0.000 2.783 170 D HA 0.107 4.746 4.640 -0.001 0.000 0.306 170 D C -1.067 175.192 176.300 -0.069 0.000 1.633 170 D CA -0.060 53.745 54.000 -0.325 0.000 0.796 170 D CB 0.250 40.548 40.800 -0.836 0.000 1.230 170 D HN 0.387 nan 8.370 nan 0.000 0.441 171 L N 1.622 122.784 121.223 -0.102 0.000 2.506 171 L HA 0.272 4.611 4.340 -0.001 0.000 0.281 171 L C -2.054 174.761 176.870 -0.093 0.000 1.228 171 L CA -0.716 53.955 54.840 -0.282 0.000 0.850 171 L CB 0.219 42.007 42.059 -0.452 0.000 1.110 171 L HN -0.022 nan 8.230 nan 0.000 0.496 172 P HA 0.113 nan 4.420 nan 0.000 0.271 172 P C -0.903 176.473 177.300 0.126 0.000 1.220 172 P CA 0.066 63.223 63.100 0.095 0.000 0.768 172 P CB 0.298 32.038 31.700 0.067 0.000 0.848 173 D N -0.343 120.114 120.400 0.096 0.000 2.705 173 D HA -0.195 4.444 4.640 -0.001 0.000 0.240 173 D C 0.211 176.600 176.300 0.149 0.000 1.137 173 D CA 0.784 54.842 54.000 0.097 0.000 0.677 173 D CB -0.976 39.870 40.800 0.076 0.000 1.049 173 D HN 0.395 nan 8.370 nan 0.000 0.427 174 R N 0.737 121.265 120.500 0.048 0.000 2.734 174 R HA 0.159 4.499 4.340 -0.001 0.000 0.266 174 R C 0.261 176.596 176.300 0.058 0.000 1.044 174 R CA 0.143 56.233 56.100 -0.017 0.000 1.128 174 R CB 0.412 30.575 30.300 -0.230 0.000 1.010 174 R HN 0.162 nan 8.270 nan 0.000 0.461 175 D N 1.542 122.005 120.400 0.104 0.000 2.737 175 D HA -0.176 4.463 4.640 -0.001 0.000 0.238 175 D C 1.008 177.370 176.300 0.103 0.000 1.157 175 D CA 0.967 55.035 54.000 0.113 0.000 0.694 175 D CB -1.007 39.838 40.800 0.076 0.000 1.021 175 D HN 0.647 nan 8.370 nan 0.000 0.420 176 c N -0.522 118.178 118.600 0.167 0.000 2.419 176 c HA 0.303 4.872 4.570 -0.001 0.000 0.283 176 c C 2.401 176.534 174.090 0.072 0.000 1.373 176 c CA 0.723 57.120 56.329 0.113 0.000 1.781 176 c CB -1.111 41.461 42.510 0.103 0.000 1.886 176 c HN 0.631 nan 8.230 nan 0.000 0.520 177 A N 0.155 123.018 122.820 0.072 0.000 2.275 177 A HA 0.726 5.045 4.320 -0.001 0.000 0.212 177 A C 1.111 178.697 177.584 0.004 0.000 1.201 177 A CA 0.806 52.866 52.037 0.038 0.000 0.843 177 A CB -0.395 18.630 19.000 0.042 0.000 0.873 177 A HN 1.007 nan 8.150 nan 0.000 0.492 178 A N -1.428 121.388 122.820 -0.006 0.000 2.504 178 A HA 0.755 5.075 4.320 -0.001 0.000 0.285 178 A C 0.161 177.774 177.584 0.048 0.000 1.261 178 A CA -0.371 51.674 52.037 0.013 0.000 0.741 178 A CB 0.326 19.259 19.000 -0.111 0.000 1.327 178 A HN 0.238 nan 8.150 nan 0.000 0.441 179 L N -1.021 120.253 121.223 0.084 0.000 2.685 179 L HA 0.240 4.579 4.340 -0.001 0.000 0.235 179 L C 2.432 179.353 176.870 0.084 0.000 1.070 179 L CA 0.950 55.835 54.840 0.074 0.000 0.888 179 L CB -0.268 41.832 42.059 0.067 0.000 1.203 179 L HN 0.756 nan 8.230 nan 0.000 0.499 180 A N 0.095 122.990 122.820 0.125 0.000 1.940 180 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 180 A C 1.939 179.584 177.584 0.102 0.000 1.176 180 A CA 1.984 54.106 52.037 0.142 0.000 0.631 180 A CB -0.384 18.786 19.000 0.283 0.000 0.814 180 A HN 0.324 nan 8.150 nan 0.000 0.446 181 S N 0.193 115.940 115.700 0.078 0.000 2.506 181 S HA 0.150 4.619 4.470 -0.001 0.000 0.245 181 S C 0.182 174.812 174.600 0.051 0.000 1.088 181 S CA -0.625 57.629 58.200 0.089 0.000 1.099 181 S CB -0.637 62.660 63.200 0.161 0.000 0.805 181 S HN 0.643 nan 8.310 nan 0.000 0.461 182 N N 1.474 120.196 118.700 0.036 0.000 2.356 182 N HA 0.109 4.848 4.740 -0.001 0.000 0.252 182 N C 0.623 176.116 175.510 -0.027 0.000 1.241 182 N CA 0.131 53.187 53.050 0.010 0.000 0.861 182 N CB 0.436 38.938 38.487 0.025 0.000 1.075 182 N HN 0.445 nan 8.380 nan 0.000 0.461 183 G N 1.046 109.805 108.800 -0.070 0.000 2.642 183 G HA2 0.085 4.045 3.960 -0.001 0.000 0.291 183 G HA3 0.085 4.045 3.960 -0.001 0.000 0.291 183 G C 0.503 175.322 174.900 -0.135 0.000 1.345 183 G CA -0.359 44.660 45.100 -0.135 0.000 1.043 183 G HN 0.815 nan 8.290 nan 0.000 0.528 184 E N -1.643 118.398 120.200 -0.266 0.000 2.435 184 E HA 0.039 4.388 4.350 -0.001 0.000 0.195 184 E C -0.701 175.762 176.600 -0.228 0.000 1.029 184 E CA 0.354 56.569 56.400 -0.308 0.000 0.865 184 E CB -0.004 29.405 29.700 -0.485 0.000 0.833 184 E HN 0.316 nan 8.360 nan 0.000 0.510 185 Y N 1.324 121.605 120.300 -0.031 0.000 2.393 185 Y HA 0.401 4.951 4.550 -0.001 0.000 0.341 185 Y C -0.066 175.828 175.900 -0.009 0.000 0.988 185 Y CA -1.927 56.164 58.100 -0.014 0.000 1.078 185 Y CB 2.121 40.576 38.460 -0.009 0.000 1.203 185 Y HN 0.017 nan 8.280 nan 0.000 0.453 186 S N 1.950 117.756 115.700 0.177 0.000 2.521 186 S HA 0.525 4.994 4.470 -0.001 0.000 0.295 186 S C 0.578 175.214 174.600 0.061 0.000 1.098 186 S CA -0.769 57.486 58.200 0.092 0.000 0.999 186 S CB 0.885 64.124 63.200 0.065 0.000 1.034 186 S HN 0.648 nan 8.310 nan 0.000 0.483 187 I N 2.103 122.697 120.570 0.040 0.000 2.151 187 I HA -0.255 3.914 4.170 -0.001 0.000 0.243 187 I C 2.893 179.013 176.117 0.005 0.000 1.080 187 I CA 1.921 63.229 61.300 0.013 0.000 1.339 187 I CB -0.743 37.256 38.000 -0.002 0.000 1.039 187 I HN 0.883 nan 8.210 nan 0.000 0.409 188 A N -0.149 122.676 122.820 0.009 0.000 1.902 188 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 188 A C 1.579 179.168 177.584 0.008 0.000 1.181 188 A CA 1.941 53.982 52.037 0.006 0.000 0.623 188 A CB -0.513 18.492 19.000 0.008 0.000 0.818 188 A HN 0.429 nan 8.150 nan 0.000 0.443 189 D N -0.702 119.710 120.400 0.019 0.000 3.134 189 D HA 0.379 5.018 4.640 -0.001 0.000 0.248 189 D C 0.897 177.202 176.300 0.008 0.000 1.273 189 D CA 0.542 54.554 54.000 0.021 0.000 0.904 189 D CB -1.048 39.775 40.800 0.040 0.000 1.089 189 D HN 0.527 nan 8.370 nan 0.000 0.478 190 G N 0.499 109.292 108.800 -0.010 0.000 2.323 190 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.292 190 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.292 190 G C 1.134 175.993 174.900 -0.068 0.000 1.040 190 G CA 0.225 45.304 45.100 -0.036 0.000 0.942 190 G HN 0.558 nan 8.290 nan 0.000 0.506 191 G N -0.986 107.789 108.800 -0.042 0.000 2.408 191 G HA2 0.028 3.987 3.960 -0.001 0.000 0.217 191 G HA3 0.028 3.987 3.960 -0.001 0.000 0.217 191 G C 1.769 176.621 174.900 -0.079 0.000 1.150 191 G CA 1.614 46.680 45.100 -0.056 0.000 0.776 191 G HN 0.819 nan 8.290 nan 0.000 0.542 192 V N 1.510 121.393 119.914 -0.051 0.000 2.343 192 V HA -0.116 4.003 4.120 -0.001 0.000 0.247 192 V C 3.297 179.346 176.094 -0.075 0.000 1.051 192 V CA 1.983 64.258 62.300 -0.042 0.000 1.036 192 V CB -0.751 31.044 31.823 -0.047 0.000 0.654 192 V HN 0.453 nan 8.190 nan 0.000 0.451 193 A N -0.295 122.461 122.820 -0.107 0.000 1.969 193 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 193 A C 2.268 179.756 177.584 -0.159 0.000 1.169 193 A CA 1.711 53.671 52.037 -0.129 0.000 0.635 193 A CB -0.366 18.573 19.000 -0.102 0.000 0.810 193 A HN 0.561 nan 8.150 nan 0.000 0.445 194 K N -1.927 118.324 120.400 -0.247 0.000 2.155 194 K HA -0.101 4.218 4.320 -0.001 0.000 0.203 194 K C 1.875 178.257 176.600 -0.364 0.000 1.052 194 K CA 1.431 57.449 56.287 -0.449 0.000 0.948 194 K CB -0.278 31.649 32.500 -0.954 0.000 0.728 194 K HN 0.598 nan 8.250 nan 0.000 0.448 195 Y N 2.209 122.322 120.300 -0.312 0.000 2.263 195 Y HA -0.128 4.421 4.550 -0.002 0.000 0.292 195 Y C 1.700 177.648 175.900 0.079 0.000 1.130 195 Y CA 1.410 59.481 58.100 -0.049 0.000 1.179 195 Y CB 0.216 38.664 38.460 -0.020 0.000 0.998 195 Y HN -0.123 nan 8.280 nan 0.000 0.532 196 K N -0.245 120.145 120.400 -0.017 0.000 2.147 196 K HA -0.207 4.112 4.320 -0.001 0.000 0.205 196 K C 1.774 178.391 176.600 0.029 0.000 1.049 196 K CA 1.471 57.659 56.287 -0.165 0.000 0.936 196 K CB -0.245 31.925 32.500 -0.550 0.000 0.722 196 K HN 0.299 nan 8.250 nan 0.000 0.446 197 N N 0.392 119.085 118.700 -0.011 0.000 2.250 197 N HA -0.174 4.566 4.740 -0.001 0.000 0.181 197 N C 1.694 177.230 175.510 0.044 0.000 1.017 197 N CA 0.719 53.781 53.050 0.019 0.000 0.866 197 N CB -0.119 38.365 38.487 -0.006 0.000 0.985 197 N HN 0.194 nan 8.380 nan 0.000 0.429 198 Y N 0.838 121.079 120.300 -0.097 0.000 2.128 198 Y HA -0.114 4.435 4.550 -0.002 0.000 0.284 198 Y C 1.820 177.633 175.900 -0.145 0.000 1.154 198 Y CA 1.575 59.615 58.100 -0.100 0.000 1.149 198 Y CB -0.217 38.164 38.460 -0.131 0.000 0.976 198 Y HN 0.067 nan 8.280 nan 0.000 0.505 199 I N 0.378 120.849 120.570 -0.164 0.000 2.286 199 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 199 I C 1.859 177.915 176.117 -0.102 0.000 1.104 199 I CA 1.413 62.606 61.300 -0.177 0.000 1.397 199 I CB -1.271 36.755 38.000 0.043 0.000 1.072 199 I HN 0.284 nan 8.210 nan 0.000 0.417 200 D N 1.059 121.472 120.400 0.021 0.000 2.106 200 D HA -0.172 4.467 4.640 -0.001 0.000 0.191 200 D C 2.139 178.401 176.300 -0.063 0.000 0.997 200 D CA 1.974 55.978 54.000 0.007 0.000 0.834 200 D CB -0.488 40.345 40.800 0.055 0.000 0.956 200 D HN 0.241 nan 8.370 nan 0.000 0.448 201 T N 1.423 115.926 114.554 -0.085 0.000 2.624 201 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 201 T C 2.246 176.853 174.700 -0.155 0.000 1.041 201 T CA 1.018 63.053 62.100 -0.107 0.000 1.159 201 T CB -0.430 68.370 68.868 -0.114 0.000 0.863 201 T HN 0.177 nan 8.240 nan 0.000 0.434 202 I N 0.563 120.985 120.570 -0.246 0.000 2.208 202 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 202 I C 2.859 178.875 176.117 -0.168 0.000 1.097 202 I CA 1.366 62.511 61.300 -0.259 0.000 1.363 202 I CB -0.411 37.377 38.000 -0.354 0.000 1.051 202 I HN 0.170 nan 8.210 nan 0.000 0.413 203 R N 0.708 121.125 120.500 -0.138 0.000 2.091 203 R HA -0.220 4.119 4.340 -0.001 0.000 0.238 203 R C 2.298 178.557 176.300 -0.069 0.000 1.136 203 R CA 1.468 57.510 56.100 -0.097 0.000 0.959 203 R CB -0.123 30.119 30.300 -0.096 0.000 0.856 203 R HN 0.342 nan 8.270 nan 0.000 0.437 204 Q N 0.282 120.043 119.800 -0.065 0.000 2.226 204 Q HA -0.130 4.209 4.340 -0.001 0.000 0.204 204 Q C 2.071 178.059 176.000 -0.020 0.000 0.975 204 Q CA 1.256 57.035 55.803 -0.040 0.000 0.866 204 Q CB -0.001 28.715 28.738 -0.036 0.000 0.915 204 Q HN 0.522 nan 8.270 nan 0.000 0.440 205 I N -0.770 119.776 120.570 -0.040 0.000 2.400 205 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 205 I C 2.092 178.233 176.117 0.039 0.000 1.109 205 I CA 0.419 61.715 61.300 -0.007 0.000 1.425 205 I CB -0.009 37.919 38.000 -0.120 0.000 1.094 205 I HN -0.078 nan 8.210 nan 0.000 0.425 206 V N 0.323 120.225 119.914 -0.019 0.000 2.548 206 V HA -0.170 3.950 4.120 -0.001 0.000 0.249 206 V C 2.368 178.484 176.094 0.037 0.000 1.055 206 V CA 1.089 63.396 62.300 0.011 0.000 1.065 206 V CB -0.041 31.773 31.823 -0.015 0.000 0.681 206 V HN 0.206 nan 8.190 nan 0.000 0.462 207 V N 0.200 120.120 119.914 0.010 0.000 2.270 207 V HA -0.288 3.831 4.120 -0.001 0.000 0.245 207 V C 2.494 178.587 176.094 -0.001 0.000 1.043 207 V CA 2.423 64.721 62.300 -0.003 0.000 1.014 207 V CB -0.509 31.301 31.823 -0.021 0.000 0.645 207 V HN 0.706 nan 8.190 nan 0.000 0.447 208 E N -0.485 119.723 120.200 0.013 0.000 2.130 208 E HA -0.246 4.103 4.350 -0.001 0.000 0.196 208 E C 0.802 177.311 176.600 -0.153 0.000 0.998 208 E CA 1.619 57.988 56.400 -0.053 0.000 0.806 208 E CB -0.079 29.622 29.700 0.002 0.000 0.738 208 E HN 0.729 nan 8.360 nan 0.000 0.459 209 Y N 0.690 120.959 120.300 -0.051 0.000 2.764 209 Y HA 0.179 4.728 4.550 -0.002 0.000 0.350 209 Y C 1.244 177.122 175.900 -0.036 0.000 0.982 209 Y CA 0.021 58.093 58.100 -0.046 0.000 1.431 209 Y CB 0.543 38.971 38.460 -0.055 0.000 1.326 209 Y HN 0.088 nan 8.280 nan 0.000 0.550 210 S N -1.732 113.996 115.700 0.047 0.000 2.584 210 S HA -0.172 4.297 4.470 -0.001 0.000 0.240 210 S C 1.113 175.732 174.600 0.031 0.000 0.975 210 S CA 1.099 59.318 58.200 0.032 0.000 0.949 210 S CB -0.242 62.959 63.200 0.001 0.000 0.761 210 S HN 0.619 nan 8.310 nan 0.000 0.536 211 D N 0.898 121.318 120.400 0.032 0.000 2.319 211 D HA 0.166 4.805 4.640 -0.001 0.000 0.230 211 D C 0.248 176.573 176.300 0.041 0.000 1.094 211 D CA -0.128 53.886 54.000 0.024 0.000 0.856 211 D CB -0.116 40.686 40.800 0.003 0.000 0.915 211 D HN 0.466 nan 8.370 nan 0.000 0.517 212 I N 0.438 121.043 120.570 0.058 0.000 2.534 212 I HA 0.232 4.402 4.170 -0.001 0.000 0.288 212 I C -0.140 175.990 176.117 0.021 0.000 1.077 212 I CA -1.270 60.053 61.300 0.038 0.000 1.051 212 I CB 2.502 40.529 38.000 0.045 0.000 1.234 212 I HN -0.306 nan 8.210 nan 0.000 0.425 213 R N 3.426 123.919 120.500 -0.012 0.000 2.458 213 R HA 0.194 4.534 4.340 -0.001 0.000 0.303 213 R C -0.813 175.441 176.300 -0.076 0.000 1.013 213 R CA 0.624 56.691 56.100 -0.054 0.000 1.026 213 R CB 0.348 30.574 30.300 -0.123 0.000 0.948 213 R HN 0.559 nan 8.270 nan 0.000 0.417 214 T N 6.611 121.137 114.554 -0.047 0.000 2.809 214 T HA 0.327 4.676 4.350 -0.001 0.000 0.296 214 T C -0.381 174.293 174.700 -0.043 0.000 1.015 214 T CA -0.639 61.456 62.100 -0.008 0.000 0.954 214 T CB 0.528 69.448 68.868 0.087 0.000 0.950 214 T HN 0.372 nan 8.240 nan 0.000 0.450 215 L N 4.558 125.704 121.223 -0.128 0.000 2.275 215 L HA 0.597 4.936 4.340 -0.001 0.000 0.288 215 L C -0.383 176.570 176.870 0.138 0.000 1.046 215 L CA -0.751 54.052 54.840 -0.062 0.000 0.805 215 L CB 0.691 42.593 42.059 -0.262 0.000 1.193 215 L HN 0.376 nan 8.230 nan 0.000 0.426 216 L N 3.969 125.362 121.223 0.282 0.000 2.381 216 L HA 0.617 4.956 4.340 -0.001 0.000 0.268 216 L C -0.623 176.452 176.870 0.341 0.000 0.997 216 L CA -0.902 54.131 54.840 0.321 0.000 0.818 216 L CB 2.637 44.824 42.059 0.214 0.000 1.310 216 L HN 0.245 nan 8.230 nan 0.000 0.416 217 V N 4.100 124.153 119.914 0.231 0.000 2.398 217 V HA 0.386 4.505 4.120 -0.001 0.000 0.286 217 V C -0.005 176.119 176.094 0.049 0.000 1.026 217 V CA -0.519 61.814 62.300 0.056 0.000 0.868 217 V CB 1.957 33.637 31.823 -0.238 0.000 0.982 217 V HN 0.389 nan 8.190 nan 0.000 0.443 218 I N 4.731 125.347 120.570 0.077 0.000 2.304 218 I HA 0.361 4.531 4.170 -0.001 0.000 0.291 218 I C 0.517 176.683 176.117 0.082 0.000 1.018 218 I CA -0.547 60.815 61.300 0.103 0.000 1.260 218 I CB 0.617 38.690 38.000 0.122 0.000 1.390 218 I HN 0.681 nan 8.210 nan 0.000 0.475 219 E N 4.384 124.661 120.200 0.127 0.000 2.452 219 E HA -0.189 4.160 4.350 -0.001 0.000 0.155 219 E C -2.312 174.355 176.600 0.112 0.000 1.746 219 E CA 0.068 56.561 56.400 0.155 0.000 0.636 219 E CB -1.144 28.597 29.700 0.067 0.000 1.069 219 E HN 0.410 nan 8.360 nan 0.000 0.335 220 P HA 0.063 nan 4.420 nan 0.000 0.269 220 P C -0.052 177.339 177.300 0.151 0.000 1.217 220 P CA 0.989 64.126 63.100 0.060 0.000 0.783 220 P CB 0.625 32.326 31.700 0.002 0.000 0.898 221 A N 0.948 123.846 122.820 0.131 0.000 2.466 221 A HA -0.146 4.173 4.320 -0.001 0.000 0.295 221 A C 1.095 178.772 177.584 0.155 0.000 1.465 221 A CA 1.299 53.463 52.037 0.210 0.000 0.744 221 A CB -2.318 16.863 19.000 0.301 0.000 1.098 221 A HN 0.626 nan 8.150 nan 0.000 0.402 222 S N -1.122 114.604 115.700 0.043 0.000 3.730 222 S HA 0.281 4.750 4.470 -0.001 0.000 0.218 222 S C 1.504 176.163 174.600 0.098 0.000 1.053 222 S CA 0.552 58.745 58.200 -0.011 0.000 0.878 222 S CB -0.399 62.627 63.200 -0.291 0.000 1.064 222 S HN 0.603 nan 8.310 nan 0.000 0.583 223 L N 2.341 123.603 121.223 0.066 0.000 2.131 223 L HA 0.089 4.428 4.340 -0.001 0.000 0.210 223 L C 3.124 179.993 176.870 -0.002 0.000 1.092 223 L CA 1.295 56.200 54.840 0.110 0.000 0.759 223 L CB -0.768 41.435 42.059 0.240 0.000 0.903 223 L HN 0.589 nan 8.230 nan 0.000 0.435 224 A N 0.203 122.933 122.820 -0.150 0.000 1.978 224 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 224 A C 2.061 179.464 177.584 -0.302 0.000 1.170 224 A CA 1.823 53.534 52.037 -0.543 0.000 0.636 224 A CB -0.505 17.634 19.000 -1.436 0.000 0.810 224 A HN 0.437 nan 8.150 nan 0.000 0.448 225 N N 0.005 118.719 118.700 0.022 0.000 2.270 225 N HA -0.030 4.709 4.740 -0.001 0.000 0.181 225 N C 1.580 177.172 175.510 0.136 0.000 1.016 225 N CA 0.981 54.179 53.050 0.246 0.000 0.870 225 N CB -0.365 38.305 38.487 0.304 0.000 0.979 225 N HN 0.520 nan 8.380 nan 0.000 0.431 226 L N 0.280 121.555 121.223 0.086 0.000 2.201 226 L HA -0.076 4.263 4.340 -0.001 0.000 0.212 226 L C 2.050 178.918 176.870 -0.004 0.000 1.105 226 L CA 0.526 55.388 54.840 0.036 0.000 0.775 226 L CB -0.199 41.882 42.059 0.036 0.000 0.913 226 L HN -0.030 nan 8.230 nan 0.000 0.440 227 V N -0.480 119.413 119.914 -0.034 0.000 2.346 227 V HA -0.195 3.924 4.120 -0.001 0.000 0.244 227 V C 2.447 178.552 176.094 0.018 0.000 1.037 227 V CA 2.316 64.585 62.300 -0.053 0.000 1.029 227 V CB -0.528 31.221 31.823 -0.124 0.000 0.663 227 V HN 0.633 nan 8.190 nan 0.000 0.454 228 T N -3.871 110.741 114.554 0.097 0.000 3.001 228 T HA 0.127 4.476 4.350 -0.001 0.000 0.251 228 T C 0.905 175.679 174.700 0.123 0.000 1.040 228 T CA 0.127 62.313 62.100 0.143 0.000 0.985 228 T CB -0.062 68.976 68.868 0.283 0.000 1.011 228 T HN 0.345 nan 8.240 nan 0.000 0.509 229 N N 0.977 119.751 118.700 0.124 0.000 2.480 229 N HA 0.371 5.110 4.740 -0.001 0.000 0.281 229 N C 0.783 176.320 175.510 0.045 0.000 1.381 229 N CA -0.080 53.022 53.050 0.087 0.000 0.903 229 N CB 0.706 39.262 38.487 0.116 0.000 1.274 229 N HN 0.336 nan 8.380 nan 0.000 0.505 230 L N -0.318 120.920 121.223 0.026 0.000 2.456 230 L HA 0.014 4.354 4.340 -0.001 0.000 0.224 230 L C 2.100 178.970 176.870 -0.000 0.000 1.148 230 L CA 0.714 55.555 54.840 0.001 0.000 0.825 230 L CB -0.134 41.921 42.059 -0.007 0.000 0.937 230 L HN 0.236 nan 8.230 nan 0.000 0.450 231 G N -1.017 107.789 108.800 0.009 0.000 2.679 231 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.212 231 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.212 231 G C 0.604 175.508 174.900 0.007 0.000 1.137 231 G CA 0.155 45.259 45.100 0.006 0.000 0.787 231 G HN 0.213 nan 8.290 nan 0.000 0.534 232 T N 1.897 116.456 114.554 0.010 0.000 2.743 232 T HA 0.360 4.709 4.350 -0.001 0.000 0.292 232 T C -1.551 173.146 174.700 -0.006 0.000 0.972 232 T CA -1.075 61.031 62.100 0.010 0.000 0.967 232 T CB 2.227 71.108 68.868 0.022 0.000 0.926 232 T HN -0.139 nan 8.240 nan 0.000 0.459 233 P HA -0.196 nan 4.420 nan 0.000 0.218 233 P C 1.531 178.811 177.300 -0.033 0.000 1.154 233 P CA 1.058 64.147 63.100 -0.019 0.000 0.872 233 P CB 0.288 31.982 31.700 -0.010 0.000 0.790 234 K N -0.978 119.407 120.400 -0.024 0.000 2.097 234 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 234 K C 1.754 178.303 176.600 -0.085 0.000 1.049 234 K CA 1.550 57.815 56.287 -0.037 0.000 0.933 234 K CB -0.501 31.995 32.500 -0.008 0.000 0.717 234 K HN 0.144 nan 8.250 nan 0.000 0.442 235 c N 0.007 118.563 118.600 -0.073 0.000 2.500 235 c HA 0.091 4.660 4.570 -0.001 0.000 0.279 235 c C 2.836 176.821 174.090 -0.176 0.000 1.288 235 c CA 0.671 56.922 56.329 -0.129 0.000 1.710 235 c CB -0.672 41.819 42.510 -0.032 0.000 2.052 235 c HN 0.640 nan 8.230 nan 0.000 0.488 236 A N 1.285 124.044 122.820 -0.102 0.000 1.902 236 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 236 A C 1.761 179.279 177.584 -0.110 0.000 1.181 236 A CA 2.015 53.998 52.037 -0.090 0.000 0.623 236 A CB -0.885 18.084 19.000 -0.052 0.000 0.818 236 A HN 0.794 nan 8.150 nan 0.000 0.443 237 N N -0.461 118.175 118.700 -0.107 0.000 2.494 237 N HA 0.133 4.872 4.740 -0.001 0.000 0.182 237 N C 1.308 176.730 175.510 -0.146 0.000 1.076 237 N CA 0.567 53.557 53.050 -0.099 0.000 0.908 237 N CB -0.052 38.394 38.487 -0.070 0.000 0.967 237 N HN 0.503 nan 8.380 nan 0.000 0.449 238 A N 0.262 122.932 122.820 -0.250 0.000 2.348 238 A HA 0.022 4.341 4.320 -0.001 0.000 0.224 238 A C 1.910 179.202 177.584 -0.487 0.000 1.227 238 A CA -0.161 51.638 52.037 -0.398 0.000 0.885 238 A CB -0.043 18.580 19.000 -0.629 0.000 0.933 238 A HN 0.219 nan 8.150 nan 0.000 0.506 239 Q N 0.476 120.081 119.800 -0.324 0.000 2.077 239 Q HA -0.206 4.133 4.340 -0.001 0.000 0.206 239 Q C 1.960 177.907 176.000 -0.088 0.000 0.989 239 Q CA 2.387 58.070 55.803 -0.199 0.000 0.853 239 Q CB -0.185 28.485 28.738 -0.113 0.000 0.907 239 Q HN 0.567 nan 8.270 nan 0.000 0.418 240 S N 0.431 116.088 115.700 -0.073 0.000 2.359 240 S HA -0.186 4.284 4.470 -0.001 0.000 0.224 240 S C 1.996 176.595 174.600 -0.002 0.000 1.035 240 S CA 1.111 59.294 58.200 -0.028 0.000 1.018 240 S CB -0.513 62.668 63.200 -0.032 0.000 0.876 240 S HN 0.607 nan 8.310 nan 0.000 0.448 241 A N 0.935 123.746 122.820 -0.015 0.000 1.877 241 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 241 A C 1.950 179.603 177.584 0.115 0.000 1.186 241 A CA 1.385 53.438 52.037 0.027 0.000 0.620 241 A CB -0.982 18.027 19.000 0.016 0.000 0.822 241 A HN 0.463 nan 8.150 nan 0.000 0.443 242 Y N 0.195 120.449 120.300 -0.077 0.000 2.053 242 Y HA -0.218 4.331 4.550 -0.002 0.000 0.277 242 Y C 2.346 178.217 175.900 -0.049 0.000 1.159 242 Y CA 1.123 59.173 58.100 -0.083 0.000 1.125 242 Y CB -1.147 37.286 38.460 -0.045 0.000 0.969 242 Y HN 0.203 nan 8.280 nan 0.000 0.492 243 L N -0.260 121.061 121.223 0.165 0.000 1.970 243 L HA -0.272 4.068 4.340 -0.001 0.000 0.212 243 L C 2.505 179.422 176.870 0.078 0.000 1.071 243 L CA 2.058 56.956 54.840 0.098 0.000 0.751 243 L CB -0.771 41.328 42.059 0.067 0.000 0.889 243 L HN 0.232 nan 8.230 nan 0.000 0.432 244 E N -0.228 120.010 120.200 0.063 0.000 2.049 244 E HA -0.283 4.066 4.350 -0.001 0.000 0.198 244 E C 2.345 179.004 176.600 0.098 0.000 1.007 244 E CA 2.293 58.731 56.400 0.064 0.000 0.809 244 E CB -0.157 29.563 29.700 0.033 0.000 0.749 244 E HN 0.531 nan 8.360 nan 0.000 0.450 245 C N 0.403 119.737 119.300 0.056 0.000 2.413 245 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 245 C C 2.671 177.765 174.990 0.173 0.000 1.228 245 C CA 0.810 59.862 59.018 0.058 0.000 1.731 245 C CB -0.951 26.596 27.740 -0.321 0.000 2.042 245 C HN 0.523 nan 8.230 nan 0.000 0.468 246 I N 1.378 121.995 120.570 0.079 0.000 2.286 246 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 246 I C 2.586 178.792 176.117 0.149 0.000 1.115 246 I CA 1.601 62.974 61.300 0.122 0.000 1.392 246 I CB -0.728 37.316 38.000 0.074 0.000 1.065 246 I HN 0.548 nan 8.210 nan 0.000 0.418 247 N N 0.686 119.466 118.700 0.132 0.000 2.244 247 N HA -0.269 4.470 4.740 -0.001 0.000 0.183 247 N C 2.111 177.707 175.510 0.143 0.000 1.016 247 N CA 1.361 54.474 53.050 0.105 0.000 0.866 247 N CB -0.100 38.435 38.487 0.081 0.000 0.980 247 N HN 0.356 nan 8.380 nan 0.000 0.430 248 Y N 1.285 121.637 120.300 0.088 0.000 2.314 248 Y HA 0.030 4.578 4.550 -0.002 0.000 0.293 248 Y C 2.425 178.390 175.900 0.107 0.000 1.129 248 Y CA 1.424 59.582 58.100 0.095 0.000 1.201 248 Y CB -0.395 38.146 38.460 0.135 0.000 0.999 248 Y HN 0.180 nan 8.280 nan 0.000 0.541 249 A N -0.779 122.197 122.820 0.260 0.000 1.855 249 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 249 A C 2.269 179.881 177.584 0.046 0.000 1.191 249 A CA 1.889 54.032 52.037 0.176 0.000 0.613 249 A CB -1.267 17.926 19.000 0.322 0.000 0.829 249 A HN 0.251 nan 8.150 nan 0.000 0.442 250 V N 0.859 120.808 119.914 0.058 0.000 2.594 250 V HA -0.210 3.909 4.120 -0.001 0.000 0.253 250 V C 2.883 178.951 176.094 -0.044 0.000 1.069 250 V CA 2.364 64.672 62.300 0.014 0.000 1.082 250 V CB -1.201 30.633 31.823 0.018 0.000 0.680 250 V HN 0.879 nan 8.190 nan 0.000 0.469 251 T N -3.664 110.845 114.554 -0.076 0.000 2.976 251 T HA -0.093 4.256 4.350 -0.001 0.000 0.257 251 T C 1.790 176.392 174.700 -0.162 0.000 1.051 251 T CA 0.403 62.434 62.100 -0.115 0.000 1.141 251 T CB -0.145 68.657 68.868 -0.110 0.000 0.881 251 T HN 0.284 nan 8.240 nan 0.000 0.461 252 Q N 0.786 120.434 119.800 -0.254 0.000 2.297 252 Q HA 0.253 4.592 4.340 -0.001 0.000 0.204 252 Q C 1.849 177.743 176.000 -0.175 0.000 0.962 252 Q CA 0.742 56.361 55.803 -0.307 0.000 0.879 252 Q CB -0.198 28.191 28.738 -0.583 0.000 0.947 252 Q HN 0.561 nan 8.270 nan 0.000 0.462 253 L N 0.416 121.570 121.223 -0.115 0.000 2.728 253 L HA 0.159 4.498 4.340 -0.001 0.000 0.238 253 L C 0.511 177.358 176.870 -0.038 0.000 1.143 253 L CA -0.358 54.444 54.840 -0.063 0.000 0.937 253 L CB 0.094 42.135 42.059 -0.030 0.000 1.225 253 L HN -0.041 nan 8.230 nan 0.000 0.507 254 N N 2.057 120.724 118.700 -0.055 0.000 2.549 254 N HA 0.244 4.984 4.740 -0.001 0.000 0.267 254 N C -0.968 174.519 175.510 -0.037 0.000 1.182 254 N CA 0.398 53.423 53.050 -0.042 0.000 1.019 254 N CB -0.100 38.348 38.487 -0.065 0.000 1.380 254 N HN 0.190 nan 8.380 nan 0.000 0.505 255 L N 3.107 124.323 121.223 -0.012 0.000 2.333 255 L HA 0.551 4.890 4.340 -0.001 0.000 0.263 255 L C -1.170 175.708 176.870 0.013 0.000 1.014 255 L CA -2.026 52.809 54.840 -0.009 0.000 0.820 255 L CB 2.285 44.340 42.059 -0.007 0.000 1.352 255 L HN 0.195 nan 8.230 nan 0.000 0.421 256 P HA -0.156 nan 4.420 nan 0.000 0.219 256 P C 0.380 177.723 177.300 0.072 0.000 1.146 256 P CA 1.411 64.505 63.100 -0.010 0.000 0.808 256 P CB 0.003 31.686 31.700 -0.030 0.000 0.779 257 N N -0.587 118.170 118.700 0.095 0.000 2.270 257 N HA 0.054 4.793 4.740 -0.001 0.000 0.198 257 N C -0.116 175.483 175.510 0.148 0.000 1.117 257 N CA -0.109 53.023 53.050 0.138 0.000 0.845 257 N CB -0.035 38.497 38.487 0.074 0.000 0.980 257 N HN -0.006 nan 8.380 nan 0.000 0.486 258 V N 0.843 120.859 119.914 0.171 0.000 2.547 258 V HA 0.735 4.854 4.120 -0.001 0.000 0.299 258 V C -0.222 175.981 176.094 0.181 0.000 1.040 258 V CA -1.012 61.363 62.300 0.126 0.000 0.913 258 V CB 1.401 33.270 31.823 0.077 0.000 0.992 258 V HN 0.372 nan 8.190 nan 0.000 0.449 259 A N 6.204 129.058 122.820 0.057 0.000 2.410 259 A HA 0.821 5.141 4.320 -0.001 0.000 0.289 259 A C -0.636 176.981 177.584 0.055 0.000 1.200 259 A CA -0.516 51.531 52.037 0.016 0.000 0.751 259 A CB 0.789 19.662 19.000 -0.213 0.000 1.161 259 A HN 0.784 nan 8.150 nan 0.000 0.459 260 M N 1.588 121.179 119.600 -0.016 0.000 2.423 260 M HA 0.539 5.018 4.480 -0.001 0.000 0.335 260 M C -1.520 174.686 176.300 -0.157 0.000 1.177 260 M CA -0.287 55.037 55.300 0.039 0.000 1.038 260 M CB 1.600 34.237 32.600 0.061 0.000 1.641 260 M HN 0.650 nan 8.290 nan 0.000 0.455 261 Y N 2.123 122.474 120.300 0.085 0.000 2.327 261 Y HA 0.432 4.981 4.550 -0.001 0.000 0.325 261 Y C -0.687 175.211 175.900 -0.003 0.000 0.999 261 Y CA -0.647 57.474 58.100 0.033 0.000 1.195 261 Y CB 1.140 39.607 38.460 0.011 0.000 1.132 261 Y HN 0.495 nan 8.280 nan 0.000 0.455 262 L N 3.472 124.751 121.223 0.093 0.000 2.360 262 L HA 0.132 4.471 4.340 -0.001 0.000 0.276 262 L C 0.292 177.115 176.870 -0.078 0.000 1.121 262 L CA -0.083 54.775 54.840 0.030 0.000 0.845 262 L CB 0.529 42.618 42.059 0.049 0.000 1.143 262 L HN 0.656 nan 8.230 nan 0.000 0.452 263 D N 2.773 123.141 120.400 -0.053 0.000 2.455 263 D HA 0.214 4.853 4.640 -0.001 0.000 0.241 263 D C 0.191 176.390 176.300 -0.168 0.000 1.138 263 D CA 0.307 54.258 54.000 -0.082 0.000 0.877 263 D CB 1.070 41.845 40.800 -0.041 0.000 1.187 263 D HN 0.599 nan 8.370 nan 0.000 0.451 264 A N 3.276 126.003 122.820 -0.156 0.000 2.674 264 A HA 0.628 4.947 4.320 -0.001 0.000 0.286 264 A C 1.035 178.607 177.584 -0.019 0.000 0.980 264 A CA 0.312 52.244 52.037 -0.174 0.000 1.028 264 A CB -0.304 18.473 19.000 -0.372 0.000 1.199 264 A HN 0.964 nan 8.150 nan 0.000 0.499 265 G N 0.772 109.504 108.800 -0.113 0.000 2.591 265 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.298 265 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.298 265 G C 0.031 174.992 174.900 0.102 0.000 1.195 265 G CA 1.173 46.210 45.100 -0.105 0.000 0.989 265 G HN 2.420 nan 8.290 nan 0.000 0.551 266 H N -4.200 114.828 119.070 -0.070 0.000 2.887 266 H HA 0.752 5.308 4.556 -0.001 0.000 0.290 266 H C 1.156 176.063 175.328 -0.701 0.000 1.429 266 H CA 0.602 56.483 56.048 -0.277 0.000 1.137 266 H CB 0.577 30.321 29.762 -0.030 0.000 1.824 266 H HN 1.510 nan 8.280 nan 0.000 0.520 267 A N 0.280 122.835 122.820 -0.442 0.000 1.903 267 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 267 A C 2.261 179.547 177.584 -0.496 0.000 1.191 267 A CA 2.537 54.332 52.037 -0.403 0.000 0.638 267 A CB -1.703 17.353 19.000 0.093 0.000 0.823 267 A HN 0.997 nan 8.150 nan 0.000 0.451 268 G N -3.032 105.413 108.800 -0.591 0.000 2.650 268 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.214 268 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.214 268 G C 1.234 175.799 174.900 -0.558 0.000 1.136 268 G CA 0.790 44.999 45.100 -1.487 0.000 0.789 268 G HN 0.568 nan 8.290 nan 0.000 0.536 269 W N 0.526 121.338 121.300 -0.812 0.000 2.720 269 W HA 0.306 4.965 4.660 -0.001 0.000 0.301 269 W C 1.722 178.141 176.519 -0.166 0.000 1.097 269 W CA 0.669 57.709 57.345 -0.508 0.000 1.573 269 W CB -0.429 28.562 29.460 -0.783 0.000 1.160 269 W HN 0.070 nan 8.180 nan 0.000 0.520 270 L N 0.265 121.467 121.223 -0.035 0.000 2.693 270 L HA 0.316 4.655 4.340 -0.001 0.000 0.235 270 L C 2.182 179.126 176.870 0.123 0.000 1.127 270 L CA 0.493 55.373 54.840 0.067 0.000 0.914 270 L CB -0.678 41.418 42.059 0.062 0.000 1.193 270 L HN 0.019 nan 8.230 nan 0.000 0.502 271 G N -0.213 108.508 108.800 -0.130 0.000 2.484 271 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.218 271 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.218 271 G C 0.206 175.133 174.900 0.045 0.000 1.130 271 G CA -0.352 44.736 45.100 -0.020 0.000 0.784 271 G HN 0.188 nan 8.290 nan 0.000 0.543 272 W N 0.656 122.001 121.300 0.076 0.000 2.231 272 W HA 0.295 4.954 4.660 -0.002 0.000 0.341 272 W C -1.150 175.430 176.519 0.101 0.000 1.298 272 W CA -1.770 55.636 57.345 0.101 0.000 1.266 272 W CB 0.331 29.838 29.460 0.079 0.000 1.172 272 W HN 0.009 nan 8.180 nan 0.000 0.568 273 P HA -0.306 nan 4.420 nan 0.000 0.215 273 P C 1.366 178.778 177.300 0.187 0.000 1.163 273 P CA 3.026 66.258 63.100 0.220 0.000 0.894 273 P CB -0.058 31.763 31.700 0.202 0.000 0.791 274 A N -1.360 121.575 122.820 0.191 0.000 2.216 274 A HA -0.128 4.191 4.320 -0.001 0.000 0.214 274 A C 1.836 179.487 177.584 0.111 0.000 1.160 274 A CA 1.392 53.504 52.037 0.125 0.000 0.725 274 A CB -0.972 18.082 19.000 0.090 0.000 0.784 274 A HN 0.149 nan 8.150 nan 0.000 0.472 275 N N -0.840 117.955 118.700 0.158 0.000 2.368 275 N HA 0.013 4.753 4.740 -0.001 0.000 0.178 275 N C 1.633 177.206 175.510 0.104 0.000 1.076 275 N CA 0.430 53.555 53.050 0.126 0.000 0.889 275 N CB -0.187 38.410 38.487 0.183 0.000 1.040 275 N HN 0.602 nan 8.380 nan 0.000 0.463 276 Q N 0.937 120.819 119.800 0.137 0.000 1.956 276 Q HA -0.202 4.138 4.340 -0.001 0.000 0.208 276 Q C 1.234 177.266 176.000 0.055 0.000 0.998 276 Q CA 2.005 57.882 55.803 0.123 0.000 0.855 276 Q CB -0.230 28.586 28.738 0.131 0.000 0.928 276 Q HN 0.266 nan 8.270 nan 0.000 0.418 277 D N -0.436 119.992 120.400 0.046 0.000 2.104 277 D HA -0.127 4.512 4.640 -0.001 0.000 0.194 277 D C -0.980 175.258 176.300 -0.104 0.000 0.994 277 D CA 1.334 55.339 54.000 0.008 0.000 0.830 277 D CB -0.634 40.208 40.800 0.070 0.000 0.959 277 D HN 0.118 nan 8.370 nan 0.000 0.452 278 P HA -0.113 nan 4.420 nan 0.000 0.216 278 P C 0.985 178.147 177.300 -0.230 0.000 1.150 278 P CA 2.018 65.045 63.100 -0.123 0.000 0.837 278 P CB -0.127 31.533 31.700 -0.066 0.000 0.786 279 A N -0.012 122.675 122.820 -0.222 0.000 1.873 279 A HA -0.071 4.249 4.320 -0.001 0.000 0.215 279 A C 2.340 179.592 177.584 -0.553 0.000 1.186 279 A CA 1.996 53.767 52.037 -0.442 0.000 0.616 279 A CB -1.639 17.269 19.000 -0.152 0.000 0.823 279 A HN 0.171 nan 8.150 nan 0.000 0.442 280 A N -0.435 122.253 122.820 -0.220 0.000 1.892 280 A HA -0.298 4.021 4.320 -0.001 0.000 0.218 280 A C 2.131 179.533 177.584 -0.302 0.000 1.188 280 A CA 1.959 53.913 52.037 -0.137 0.000 0.631 280 A CB -0.760 18.165 19.000 -0.125 0.000 0.822 280 A HN 0.674 nan 8.150 nan 0.000 0.447 281 Q N -1.297 118.188 119.800 -0.525 0.000 2.096 281 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 281 Q C 2.112 177.992 176.000 -0.201 0.000 0.982 281 Q CA 1.435 56.985 55.803 -0.422 0.000 0.850 281 Q CB -0.369 28.178 28.738 -0.319 0.000 0.901 281 Q HN 0.580 nan 8.270 nan 0.000 0.422 282 L N 0.039 121.075 121.223 -0.312 0.000 2.017 282 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 282 L C 1.828 178.603 176.870 -0.159 0.000 1.073 282 L CA 1.791 56.452 54.840 -0.298 0.000 0.745 282 L CB -0.526 41.242 42.059 -0.485 0.000 0.894 282 L HN 0.085 nan 8.230 nan 0.000 0.432 283 F N -0.128 119.873 119.950 0.084 0.000 2.206 283 F HA 0.033 4.560 4.527 -0.001 0.000 0.298 283 F C 2.560 178.535 175.800 0.292 0.000 1.090 283 F CA 0.808 58.929 58.000 0.202 0.000 1.323 283 F CB -1.730 37.410 39.000 0.233 0.000 1.028 283 F HN 0.162 nan 8.300 nan 0.000 0.492 284 A N 0.436 123.503 122.820 0.411 0.000 1.908 284 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 284 A C 2.097 179.823 177.584 0.237 0.000 1.181 284 A CA 2.100 54.370 52.037 0.387 0.000 0.627 284 A CB -1.201 17.990 19.000 0.318 0.000 0.818 284 A HN 0.501 nan 8.150 nan 0.000 0.445 285 N N -0.346 118.440 118.700 0.145 0.000 2.120 285 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 285 N C 1.629 177.180 175.510 0.067 0.000 1.024 285 N CA 1.288 54.388 53.050 0.084 0.000 0.852 285 N CB -0.184 38.328 38.487 0.042 0.000 1.003 285 N HN 0.282 nan 8.380 nan 0.000 0.424 286 V N 0.742 120.716 119.914 0.101 0.000 2.343 286 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 286 V C 1.910 178.013 176.094 0.014 0.000 1.051 286 V CA 1.604 63.953 62.300 0.082 0.000 1.036 286 V CB -0.753 31.164 31.823 0.157 0.000 0.654 286 V HN 0.371 nan 8.190 nan 0.000 0.451 287 Y N 1.292 121.481 120.300 -0.185 0.000 2.114 287 Y HA -0.242 4.308 4.550 -0.001 0.000 0.284 287 Y C 2.551 178.264 175.900 -0.311 0.000 1.143 287 Y CA 1.983 59.812 58.100 -0.452 0.000 1.135 287 Y CB -0.279 37.559 38.460 -1.035 0.000 0.980 287 Y HN 0.128 nan 8.280 nan 0.000 0.499 288 K N -0.179 120.108 120.400 -0.189 0.000 2.057 288 K HA -0.213 4.106 4.320 -0.001 0.000 0.207 288 K C 1.943 178.432 176.600 -0.184 0.000 1.049 288 K CA 1.462 57.620 56.287 -0.215 0.000 0.931 288 K CB -0.377 32.109 32.500 -0.022 0.000 0.714 288 K HN 0.270 nan 8.250 nan 0.000 0.440 289 N N 0.889 119.525 118.700 -0.106 0.000 2.364 289 N HA -0.121 4.619 4.740 -0.001 0.000 0.183 289 N C 0.997 176.445 175.510 -0.104 0.000 1.022 289 N CA 1.031 54.036 53.050 -0.075 0.000 0.883 289 N CB 0.051 38.520 38.487 -0.028 0.000 0.965 289 N HN 0.172 nan 8.380 nan 0.000 0.438 290 A N -1.143 121.577 122.820 -0.167 0.000 2.337 290 A HA 0.351 4.670 4.320 -0.001 0.000 0.227 290 A C 0.650 178.093 177.584 -0.236 0.000 1.259 290 A CA 0.217 52.151 52.037 -0.172 0.000 0.870 290 A CB -0.211 18.686 19.000 -0.171 0.000 0.927 290 A HN 0.107 nan 8.150 nan 0.000 0.497 291 S N -0.450 115.094 115.700 -0.260 0.000 3.812 291 S HA -0.161 4.308 4.470 -0.001 0.000 0.341 291 S C 0.476 174.845 174.600 -0.385 0.000 1.057 291 S CA 0.663 58.707 58.200 -0.260 0.000 1.015 291 S CB -2.279 60.820 63.200 -0.168 0.000 0.893 291 S HN 1.436 nan 8.310 nan 0.000 0.476 292 S N 0.001 115.274 115.700 -0.711 0.000 3.524 292 S HA -0.149 4.320 4.470 -0.001 0.000 0.377 292 S C -1.332 172.924 174.600 -0.573 0.000 0.949 292 S CA 0.777 58.321 58.200 -1.093 0.000 1.264 292 S CB -1.004 61.816 63.200 -0.634 0.000 0.918 292 S HN 0.707 nan 8.310 nan 0.000 0.517 293 P HA 0.039 nan 4.420 nan 0.000 0.265 293 P C 0.985 178.236 177.300 -0.083 0.000 1.193 293 P CA -0.280 62.697 63.100 -0.204 0.000 0.765 293 P CB 0.634 32.235 31.700 -0.164 0.000 0.823 294 R N 3.735 124.202 120.500 -0.055 0.000 2.092 294 R HA -0.107 4.233 4.340 -0.001 0.000 0.231 294 R C 1.921 178.233 176.300 0.020 0.000 1.119 294 R CA 1.909 58.000 56.100 -0.015 0.000 0.970 294 R CB -1.227 29.038 30.300 -0.057 0.000 0.864 294 R HN 0.575 nan 8.270 nan 0.000 0.440 295 A N 0.809 123.640 122.820 0.018 0.000 2.121 295 A HA -0.087 4.232 4.320 -0.001 0.000 0.218 295 A C 1.099 178.726 177.584 0.072 0.000 1.154 295 A CA 0.254 52.337 52.037 0.077 0.000 0.679 295 A CB -0.316 18.721 19.000 0.061 0.000 0.795 295 A HN 0.230 nan 8.150 nan 0.000 0.458 296 L N 0.695 121.959 121.223 0.068 0.000 2.401 296 L HA 0.358 4.697 4.340 -0.001 0.000 0.283 296 L C 1.222 178.181 176.870 0.148 0.000 1.151 296 L CA -0.135 54.757 54.840 0.087 0.000 0.942 296 L CB 0.171 42.299 42.059 0.115 0.000 1.283 296 L HN 0.326 nan 8.230 nan 0.000 0.442 297 R N 2.942 123.408 120.500 -0.057 0.000 2.240 297 R HA 0.427 4.766 4.340 -0.001 0.000 0.203 297 R C 0.608 176.856 176.300 -0.086 0.000 1.011 297 R CA 0.894 56.950 56.100 -0.072 0.000 1.007 297 R CB 0.085 30.237 30.300 -0.247 0.000 0.911 297 R HN 0.698 nan 8.270 nan 0.000 0.468 298 G N -1.159 107.544 108.800 -0.161 0.000 2.455 298 G HA2 0.176 4.135 3.960 -0.001 0.000 0.223 298 G HA3 0.176 4.135 3.960 -0.001 0.000 0.223 298 G C -1.774 172.943 174.900 -0.305 0.000 1.226 298 G CA -0.549 44.343 45.100 -0.347 0.000 0.948 298 G HN 0.045 nan 8.290 nan 0.000 0.478 299 L N 0.392 121.266 121.223 -0.582 0.000 2.333 299 L HA 0.813 5.153 4.340 -0.001 0.000 0.269 299 L C 0.297 177.118 176.870 -0.082 0.000 1.010 299 L CA -1.051 53.556 54.840 -0.389 0.000 0.818 299 L CB 2.128 43.795 42.059 -0.653 0.000 1.306 299 L HN 0.926 nan 8.230 nan 0.000 0.430 300 A N 0.824 123.633 122.820 -0.019 0.000 2.318 300 A HA 0.745 5.064 4.320 -0.001 0.000 0.324 300 A C -0.204 177.412 177.584 0.054 0.000 1.170 300 A CA -0.411 51.626 52.037 -0.001 0.000 0.810 300 A CB 1.274 20.229 19.000 -0.075 0.000 1.198 300 A HN 0.712 nan 8.150 nan 0.000 0.484 301 T N -0.587 114.044 114.554 0.128 0.000 2.942 301 T HA 0.517 4.866 4.350 -0.001 0.000 0.289 301 T C 0.401 175.198 174.700 0.162 0.000 1.044 301 T CA -0.136 62.094 62.100 0.217 0.000 1.023 301 T CB 1.201 70.297 68.868 0.380 0.000 1.123 301 T HN 1.132 nan 8.240 nan 0.000 0.512 302 N N -0.382 118.444 118.700 0.209 0.000 2.778 302 N HA -0.162 4.577 4.740 -0.001 0.000 0.249 302 N C -0.258 175.275 175.510 0.038 0.000 1.069 302 N CA 0.885 54.013 53.050 0.131 0.000 0.831 302 N CB -1.694 36.867 38.487 0.123 0.000 1.142 302 N HN 0.680 nan 8.380 nan 0.000 0.573 303 V N 0.613 120.558 119.914 0.052 0.000 2.475 303 V HA 0.256 4.375 4.120 -0.001 0.000 0.292 303 V C 1.667 177.779 176.094 0.031 0.000 1.003 303 V CA 1.046 63.358 62.300 0.020 0.000 1.120 303 V CB -0.090 31.731 31.823 -0.004 0.000 0.937 303 V HN 0.660 nan 8.190 nan 0.000 0.476 304 A N 3.227 126.034 122.820 -0.022 0.000 3.021 304 A HA -0.253 4.066 4.320 -0.001 0.000 0.257 304 A C 0.501 177.876 177.584 -0.347 0.000 1.277 304 A CA 1.548 53.510 52.037 -0.126 0.000 1.012 304 A CB -2.141 16.829 19.000 -0.050 0.000 1.147 304 A HN 0.884 nan 8.150 nan 0.000 0.861 305 N N -2.827 115.644 118.700 -0.381 0.000 2.906 305 N HA 0.770 5.509 4.740 -0.001 0.000 0.327 305 N C 0.242 175.331 175.510 -0.701 0.000 1.344 305 N CA -0.256 52.437 53.050 -0.594 0.000 0.823 305 N CB 0.582 38.795 38.487 -0.457 0.000 1.351 305 N HN 0.204 nan 8.380 nan 0.000 0.604 306 Y N -1.545 118.720 120.300 -0.059 0.000 2.626 306 Y HA 0.441 4.990 4.550 -0.001 0.000 0.248 306 Y C -0.234 175.716 175.900 0.083 0.000 1.147 306 Y CA -0.792 57.314 58.100 0.009 0.000 1.219 306 Y CB -0.441 38.023 38.460 0.007 0.000 1.279 306 Y HN 0.234 nan 8.280 nan 0.000 0.541 307 N N 1.776 120.609 118.700 0.223 0.000 2.345 307 N HA 0.063 4.802 4.740 -0.001 0.000 0.243 307 N C 0.650 176.320 175.510 0.267 0.000 1.246 307 N CA 0.850 54.085 53.050 0.308 0.000 0.863 307 N CB 0.928 39.607 38.487 0.320 0.000 1.096 307 N HN 0.468 nan 8.380 nan 0.000 0.446 308 G N 0.110 109.069 108.800 0.264 0.000 2.537 308 G HA2 0.066 4.025 3.960 -0.001 0.000 0.273 308 G HA3 0.066 4.025 3.960 -0.001 0.000 0.273 308 G C 0.731 175.805 174.900 0.290 0.000 1.189 308 G CA -0.740 44.506 45.100 0.244 0.000 0.881 308 G HN 0.757 nan 8.290 nan 0.000 0.535 309 W N 1.443 122.823 121.300 0.135 0.000 2.474 309 W HA -0.052 4.607 4.660 -0.002 0.000 0.319 309 W C 0.742 177.325 176.519 0.108 0.000 1.165 309 W CA 1.248 58.687 57.345 0.155 0.000 1.356 309 W CB 0.245 29.852 29.460 0.246 0.000 1.172 309 W HN 0.594 nan 8.180 nan 0.000 0.478 310 N N 0.914 119.444 118.700 -0.283 0.000 2.451 310 N HA 0.096 4.835 4.740 -0.001 0.000 0.271 310 N C -0.132 175.300 175.510 -0.130 0.000 1.410 310 N CA -0.230 52.547 53.050 -0.455 0.000 0.884 310 N CB -1.413 36.722 38.487 -0.587 0.000 1.332 310 N HN 0.259 nan 8.380 nan 0.000 0.498 311 I N -1.429 119.135 120.570 -0.010 0.000 2.880 311 I HA 0.044 4.213 4.170 -0.001 0.000 0.296 311 I C 1.229 177.397 176.117 0.085 0.000 1.220 311 I CA 0.020 61.354 61.300 0.056 0.000 1.435 311 I CB 0.454 38.511 38.000 0.096 0.000 1.339 311 I HN 0.139 nan 8.210 nan 0.000 0.583 312 T N 0.347 114.935 114.554 0.057 0.000 3.107 312 T HA 0.146 4.495 4.350 -0.001 0.000 0.249 312 T C 0.659 175.384 174.700 0.042 0.000 1.096 312 T CA -0.150 61.987 62.100 0.062 0.000 1.012 312 T CB -0.122 68.754 68.868 0.013 0.000 0.977 312 T HN 0.581 nan 8.240 nan 0.000 0.527 313 S N 4.198 119.898 115.700 -0.001 0.000 2.566 313 S HA 0.477 4.946 4.470 -0.001 0.000 0.324 313 S C -2.725 171.709 174.600 -0.277 0.000 1.081 313 S CA -1.179 56.943 58.200 -0.131 0.000 1.105 313 S CB 1.467 64.599 63.200 -0.113 0.000 0.981 313 S HN 0.334 nan 8.310 nan 0.000 0.464 314 P HA 0.233 nan 4.420 nan 0.000 0.266 314 P C -2.717 174.222 177.300 -0.602 0.000 1.215 314 P CA -1.098 61.401 63.100 -1.003 0.000 0.763 314 P CB -0.398 30.503 31.700 -1.332 0.000 0.806 315 P HA 0.001 nan 4.420 nan 0.000 0.270 315 P C 1.366 178.191 177.300 -0.791 0.000 1.223 315 P CA -0.082 62.571 63.100 -0.746 0.000 0.785 315 P CB 0.278 31.318 31.700 -1.100 0.000 0.923 316 S N 1.115 116.402 115.700 -0.689 0.000 2.370 316 S HA -0.266 4.203 4.470 -0.001 0.000 0.226 316 S C 1.757 176.129 174.600 -0.381 0.000 1.033 316 S CA 1.576 59.514 58.200 -0.436 0.000 1.011 316 S CB -1.724 61.317 63.200 -0.265 0.000 0.852 316 S HN 0.582 nan 8.310 nan 0.000 0.457 317 Y N 2.856 123.026 120.300 -0.216 0.000 2.574 317 Y HA 0.160 4.709 4.550 -0.001 0.000 0.294 317 Y C 2.260 177.976 175.900 -0.306 0.000 1.142 317 Y CA 0.580 58.571 58.100 -0.182 0.000 1.314 317 Y CB -1.921 36.457 38.460 -0.136 0.000 0.991 317 Y HN 0.442 nan 8.280 nan 0.000 0.555 318 T N -2.653 111.596 114.554 -0.508 0.000 3.107 318 T HA 0.018 4.368 4.350 -0.001 0.000 0.249 318 T C 0.567 175.146 174.700 -0.202 0.000 1.096 318 T CA -0.402 61.282 62.100 -0.693 0.000 1.012 318 T CB -0.354 67.927 68.868 -0.978 0.000 0.977 318 T HN 0.481 nan 8.240 nan 0.000 0.527 319 Q N 0.858 120.601 119.800 -0.096 0.000 2.262 319 Q HA 0.322 4.661 4.340 -0.001 0.000 0.298 319 Q C 1.231 177.337 176.000 0.178 0.000 1.083 319 Q CA 1.325 57.128 55.803 0.001 0.000 0.962 319 Q CB -0.424 28.316 28.738 0.003 0.000 1.104 319 Q HN 0.709 nan 8.270 nan 0.000 0.376 320 G N 3.290 112.189 108.800 0.165 0.000 2.211 320 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.201 320 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.201 320 G C -0.290 174.814 174.900 0.340 0.000 0.997 320 G CA -0.067 45.224 45.100 0.318 0.000 0.652 320 G HN 0.632 nan 8.290 nan 0.000 0.500 321 N N 0.226 118.962 118.700 0.061 0.000 2.346 321 N HA 0.706 5.445 4.740 -0.001 0.000 0.289 321 N C 0.881 176.404 175.510 0.021 0.000 1.027 321 N CA 0.353 53.313 53.050 -0.149 0.000 0.864 321 N CB 1.578 39.615 38.487 -0.749 0.000 1.370 321 N HN 0.458 nan 8.380 nan 0.000 0.481 322 A N 2.543 125.402 122.820 0.065 0.000 2.167 322 A HA 0.127 4.446 4.320 -0.001 0.000 0.214 322 A C 0.349 177.999 177.584 0.110 0.000 1.151 322 A CA 0.491 52.603 52.037 0.125 0.000 0.735 322 A CB 0.146 19.198 19.000 0.087 0.000 0.802 322 A HN 0.394 nan 8.150 nan 0.000 0.467 323 V N 1.694 121.630 119.914 0.036 0.000 2.247 323 V HA 0.141 4.260 4.120 -0.001 0.000 0.262 323 V C 0.099 176.225 176.094 0.053 0.000 1.096 323 V CA -0.293 61.991 62.300 -0.027 0.000 0.895 323 V CB -0.730 31.105 31.823 0.020 0.000 1.141 323 V HN 0.657 nan 8.190 nan 0.000 0.478 324 Y N 2.379 122.703 120.300 0.040 0.000 2.555 324 Y HA 0.527 5.076 4.550 -0.001 0.000 0.259 324 Y C 0.309 176.268 175.900 0.098 0.000 1.179 324 Y CA -1.238 56.893 58.100 0.052 0.000 1.230 324 Y CB -0.209 38.151 38.460 -0.167 0.000 1.146 324 Y HN 0.644 nan 8.280 nan 0.000 0.526 325 N N -2.068 116.512 118.700 -0.199 0.000 2.708 325 N HA 0.183 4.923 4.740 -0.001 0.000 0.257 325 N C 0.080 175.587 175.510 -0.006 0.000 1.373 325 N CA -0.746 52.258 53.050 -0.076 0.000 0.843 325 N CB 0.804 39.136 38.487 -0.259 0.000 1.503 325 N HN -0.124 nan 8.380 nan 0.000 0.504 326 E N 0.320 120.588 120.200 0.113 0.000 2.150 326 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 326 E C 1.059 177.705 176.600 0.077 0.000 0.985 326 E CA 0.969 57.516 56.400 0.244 0.000 0.814 326 E CB -0.103 29.874 29.700 0.461 0.000 0.752 326 E HN 0.725 nan 8.360 nan 0.000 0.466 327 K N 0.896 121.057 120.400 -0.398 0.000 2.009 327 K HA -0.105 4.215 4.320 -0.001 0.000 0.210 327 K C 2.308 178.781 176.600 -0.213 0.000 1.049 327 K CA 0.965 56.854 56.287 -0.663 0.000 0.929 327 K CB -0.195 31.569 32.500 -1.227 0.000 0.714 327 K HN 0.056 nan 8.250 nan 0.000 0.440 328 L N 0.280 121.348 121.223 -0.260 0.000 2.127 328 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 328 L C 2.531 179.370 176.870 -0.052 0.000 1.089 328 L CA 1.168 55.905 54.840 -0.172 0.000 0.757 328 L CB -0.479 41.418 42.059 -0.269 0.000 0.899 328 L HN 0.335 nan 8.230 nan 0.000 0.434 329 Y N 1.254 121.467 120.300 -0.145 0.000 2.163 329 Y HA -0.222 4.327 4.550 -0.002 0.000 0.288 329 Y C 2.374 178.152 175.900 -0.204 0.000 1.136 329 Y CA 1.760 59.792 58.100 -0.112 0.000 1.147 329 Y CB -0.268 38.166 38.460 -0.044 0.000 0.987 329 Y HN 0.209 nan 8.280 nan 0.000 0.509 330 I N -2.870 117.375 120.570 -0.542 0.000 2.546 330 I HA -0.185 3.984 4.170 -0.001 0.000 0.255 330 I C 1.842 177.438 176.117 -0.869 0.000 1.163 330 I CA 1.526 62.167 61.300 -1.098 0.000 1.457 330 I CB -0.764 36.379 38.000 -1.427 0.000 1.092 330 I HN 0.140 nan 8.210 nan 0.000 0.434 331 H N 1.370 120.178 119.070 -0.436 0.000 2.547 331 H HA 0.228 4.783 4.556 -0.001 0.000 0.272 331 H C 2.262 177.453 175.328 -0.227 0.000 0.989 331 H CA 1.153 57.026 56.048 -0.292 0.000 1.214 331 H CB 0.518 30.152 29.762 -0.214 0.000 1.389 331 H HN 0.543 nan 8.280 nan 0.000 0.577 332 A N 0.323 123.052 122.820 -0.151 0.000 1.956 332 A HA 0.016 4.335 4.320 -0.001 0.000 0.212 332 A C 2.154 179.665 177.584 -0.121 0.000 1.188 332 A CA 0.342 52.324 52.037 -0.091 0.000 0.675 332 A CB 0.010 18.989 19.000 -0.034 0.000 0.845 332 A HN 0.156 nan 8.150 nan 0.000 0.455 333 I N -0.092 120.324 120.570 -0.257 0.000 2.852 333 I HA 0.090 4.259 4.170 -0.001 0.000 0.264 333 I C 2.302 178.358 176.117 -0.102 0.000 1.179 333 I CA 0.756 61.949 61.300 -0.178 0.000 1.480 333 I CB -0.402 37.421 38.000 -0.295 0.000 1.111 333 I HN 0.248 nan 8.210 nan 0.000 0.441 334 G N 2.233 110.929 108.800 -0.173 0.000 2.480 334 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 334 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 334 G C -0.385 174.458 174.900 -0.094 0.000 1.200 334 G CA 1.033 46.073 45.100 -0.100 0.000 0.782 334 G HN 0.311 nan 8.290 nan 0.000 0.554 335 P HA -0.039 nan 4.420 nan 0.000 0.221 335 P C 1.903 179.210 177.300 0.011 0.000 1.145 335 P CA 0.818 63.896 63.100 -0.037 0.000 0.795 335 P CB -0.118 31.567 31.700 -0.025 0.000 0.775 336 L N -1.406 119.838 121.223 0.035 0.000 2.179 336 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 336 L C 2.728 179.724 176.870 0.211 0.000 1.096 336 L CA 0.756 55.674 54.840 0.130 0.000 0.779 336 L CB -0.780 41.346 42.059 0.112 0.000 0.922 336 L HN -0.090 nan 8.230 nan 0.000 0.443 337 L N -0.159 121.118 121.223 0.091 0.000 2.093 337 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 337 L C 2.887 179.843 176.870 0.144 0.000 1.085 337 L CA 0.998 55.898 54.840 0.099 0.000 0.755 337 L CB -0.611 41.361 42.059 -0.144 0.000 0.904 337 L HN 0.226 nan 8.230 nan 0.000 0.435 338 A N 0.219 123.071 122.820 0.054 0.000 1.902 338 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 338 A C 2.004 179.635 177.584 0.078 0.000 1.181 338 A CA 1.763 53.834 52.037 0.056 0.000 0.623 338 A CB -0.524 18.475 19.000 -0.001 0.000 0.818 338 A HN 0.404 nan 8.150 nan 0.000 0.443 339 N N -0.100 118.641 118.700 0.068 0.000 2.149 339 N HA -0.132 4.607 4.740 -0.001 0.000 0.188 339 N C 0.714 176.154 175.510 -0.118 0.000 1.019 339 N CA 1.491 54.518 53.050 -0.039 0.000 0.857 339 N CB -0.508 37.923 38.487 -0.093 0.000 0.997 339 N HN 0.716 nan 8.380 nan 0.000 0.426 340 H N -1.521 117.596 119.070 0.079 0.000 2.519 340 H HA 0.423 4.978 4.556 -0.002 0.000 0.289 340 H C 1.080 176.487 175.328 0.132 0.000 1.040 340 H CA 0.397 56.502 56.048 0.095 0.000 1.165 340 H CB 0.114 29.933 29.762 0.095 0.000 1.462 340 H HN 0.260 nan 8.280 nan 0.000 0.555 341 G N -0.279 108.654 108.800 0.220 0.000 2.154 341 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.186 341 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.186 341 G C -0.607 174.482 174.900 0.316 0.000 1.000 341 G CA -0.330 44.905 45.100 0.226 0.000 0.664 341 G HN 0.316 nan 8.290 nan 0.000 0.513 342 W N 2.537 123.860 121.300 0.039 0.000 2.517 342 W HA 0.762 5.422 4.660 -0.000 0.000 0.301 342 W C -0.282 176.155 176.519 -0.136 0.000 1.002 342 W CA -1.216 56.049 57.345 -0.134 0.000 1.415 342 W CB 0.982 30.256 29.460 -0.310 0.000 1.275 342 W HN 0.077 nan 8.180 nan 0.000 0.413 343 S N 4.216 120.088 115.700 0.286 0.000 2.654 343 S HA 0.309 4.779 4.470 -0.001 0.000 0.283 343 S C 0.225 174.877 174.600 0.087 0.000 1.180 343 S CA -0.410 57.852 58.200 0.104 0.000 1.021 343 S CB 1.128 64.391 63.200 0.105 0.000 1.018 343 S HN 0.442 nan 8.310 nan 0.000 0.532 344 N N 0.231 118.903 118.700 -0.048 0.000 2.756 344 N HA -0.161 4.578 4.740 -0.001 0.000 0.248 344 N C -0.571 174.887 175.510 -0.088 0.000 1.062 344 N CA 0.778 53.823 53.050 -0.009 0.000 0.696 344 N CB -1.246 37.386 38.487 0.241 0.000 0.946 344 N HN 0.718 nan 8.380 nan 0.000 0.548 345 A N 0.211 122.710 122.820 -0.534 0.000 2.290 345 A HA 0.756 5.075 4.320 -0.001 0.000 0.310 345 A C -0.079 177.048 177.584 -0.762 0.000 1.202 345 A CA -0.224 51.343 52.037 -0.783 0.000 0.837 345 A CB 0.562 18.641 19.000 -1.536 0.000 1.139 345 A HN 0.181 nan 8.150 nan 0.000 0.509 346 F N 0.394 120.080 119.950 -0.440 0.000 2.613 346 F HA 0.824 5.350 4.527 -0.002 0.000 0.342 346 F C -0.382 175.198 175.800 -0.367 0.000 1.066 346 F CA -0.684 57.208 58.000 -0.180 0.000 1.002 346 F CB 1.651 40.661 39.000 0.016 0.000 1.319 346 F HN 0.474 nan 8.300 nan 0.000 0.495 347 F N 0.929 120.955 119.950 0.127 0.000 2.603 347 F HA 0.715 5.242 4.527 -0.001 0.000 0.317 347 F C -0.378 175.369 175.800 -0.088 0.000 1.066 347 F CA -1.433 56.582 58.000 0.026 0.000 0.941 347 F CB 1.770 40.710 39.000 -0.101 0.000 1.291 347 F HN 0.245 nan 8.300 nan 0.000 0.472 348 I N -1.106 119.450 120.570 -0.024 0.000 2.647 348 I HA 0.834 5.003 4.170 -0.001 0.000 0.295 348 I C -1.134 174.889 176.117 -0.157 0.000 1.078 348 I CA -0.559 60.561 61.300 -0.300 0.000 1.048 348 I CB 2.351 39.981 38.000 -0.618 0.000 1.239 348 I HN 0.432 nan 8.210 nan 0.000 0.421 349 T N 2.665 117.115 114.554 -0.173 0.000 2.861 349 T HA 0.263 4.612 4.350 -0.001 0.000 0.287 349 T C -0.904 173.804 174.700 0.014 0.000 1.003 349 T CA -0.293 61.791 62.100 -0.026 0.000 0.977 349 T CB 1.591 70.489 68.868 0.050 0.000 0.996 349 T HN 0.658 nan 8.240 nan 0.000 0.448 350 D N 2.029 122.447 120.400 0.030 0.000 2.348 350 D HA 0.153 4.792 4.640 -0.001 0.000 0.253 350 D C 0.341 176.690 176.300 0.081 0.000 1.161 350 D CA -0.024 54.001 54.000 0.042 0.000 0.876 350 D CB 0.887 41.678 40.800 -0.016 0.000 1.160 350 D HN 0.287 nan 8.370 nan 0.000 0.459 351 Q N 2.374 122.245 119.800 0.118 0.000 2.118 351 Q HA 0.184 4.523 4.340 -0.001 0.000 0.219 351 Q C 1.573 177.487 176.000 -0.143 0.000 0.794 351 Q CA -0.099 55.758 55.803 0.090 0.000 1.035 351 Q CB 1.283 30.138 28.738 0.195 0.000 1.177 351 Q HN 0.678 nan 8.270 nan 0.000 0.478 352 G N 1.124 109.651 108.800 -0.454 0.000 2.479 352 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 352 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 352 G C 1.181 175.744 174.900 -0.562 0.000 1.115 352 G CA 0.397 44.854 45.100 -1.071 0.000 0.757 352 G HN 0.151 nan 8.290 nan 0.000 0.560 353 R N -0.453 119.887 120.500 -0.268 0.000 2.637 353 R HA 0.260 4.600 4.340 -0.001 0.000 0.446 353 R C 0.612 176.947 176.300 0.058 0.000 1.024 353 R CA -0.049 55.983 56.100 -0.113 0.000 1.080 353 R CB 0.814 31.111 30.300 -0.003 0.000 1.421 353 R HN 0.154 nan 8.270 nan 0.000 0.593 354 S N -0.514 115.200 115.700 0.023 0.000 2.512 354 S HA 0.044 4.513 4.470 -0.001 0.000 0.216 354 S C 1.820 176.472 174.600 0.087 0.000 1.006 354 S CA 0.351 58.612 58.200 0.103 0.000 0.915 354 S CB 0.921 64.197 63.200 0.127 0.000 0.824 354 S HN 0.584 nan 8.310 nan 0.000 0.497 355 G N 2.197 111.031 108.800 0.057 0.000 2.550 355 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.222 355 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.222 355 G C 0.584 175.507 174.900 0.037 0.000 1.113 355 G CA 0.895 46.030 45.100 0.058 0.000 0.748 355 G HN 0.446 nan 8.290 nan 0.000 0.585 356 K N 0.591 121.002 120.400 0.019 0.000 2.293 356 K HA 0.351 4.671 4.320 -0.001 0.000 0.267 356 K C -0.879 175.738 176.600 0.029 0.000 1.010 356 K CA -0.527 55.763 56.287 0.004 0.000 0.875 356 K CB 0.646 33.124 32.500 -0.037 0.000 1.106 356 K HN -0.027 nan 8.250 nan 0.000 0.450 357 Q N 4.397 124.215 119.800 0.030 0.000 2.323 357 Q HA 0.390 4.729 4.340 -0.001 0.000 0.271 357 Q C -2.135 173.865 176.000 -0.001 0.000 1.048 357 Q CA -1.779 54.048 55.803 0.041 0.000 0.792 357 Q CB 1.708 30.481 28.738 0.058 0.000 1.280 357 Q HN 0.728 nan 8.270 nan 0.000 0.441 358 P HA 0.242 nan 4.420 nan 0.000 0.279 358 P C -0.170 177.184 177.300 0.090 0.000 1.282 358 P CA -0.209 62.909 63.100 0.031 0.000 0.788 358 P CB 0.634 32.274 31.700 -0.100 0.000 1.139 359 T N -4.493 110.184 114.554 0.205 0.000 2.880 359 T HA 0.459 4.808 4.350 -0.001 0.000 0.279 359 T C 1.200 175.930 174.700 0.050 0.000 0.990 359 T CA -0.185 61.946 62.100 0.052 0.000 0.938 359 T CB 0.452 69.274 68.868 -0.077 0.000 1.206 359 T HN 0.456 nan 8.240 nan 0.000 0.573 360 G N -0.517 108.243 108.800 -0.067 0.000 3.314 360 G HA2 0.159 4.118 3.960 -0.001 0.000 0.238 360 G HA3 0.159 4.118 3.960 -0.001 0.000 0.238 360 G C 0.303 175.156 174.900 -0.078 0.000 1.184 360 G CA -0.417 44.650 45.100 -0.056 0.000 0.806 360 G HN 0.707 nan 8.290 nan 0.000 0.536 361 Q N 0.384 120.097 119.800 -0.144 0.000 2.274 361 Q HA 0.079 4.418 4.340 -0.001 0.000 0.280 361 Q C 1.078 177.039 176.000 -0.064 0.000 1.047 361 Q CA 0.014 55.685 55.803 -0.220 0.000 0.907 361 Q CB 0.824 29.246 28.738 -0.526 0.000 1.171 361 Q HN 0.323 nan 8.270 nan 0.000 0.381 362 Q N 1.487 121.266 119.800 -0.035 0.000 2.137 362 Q HA -0.058 4.281 4.340 -0.001 0.000 0.198 362 Q C 0.067 176.108 176.000 0.070 0.000 0.960 362 Q CA 1.215 57.033 55.803 0.025 0.000 0.847 362 Q CB 0.448 29.186 28.738 -0.001 0.000 0.915 362 Q HN 0.623 nan 8.270 nan 0.000 0.448 363 Q N -1.567 118.260 119.800 0.044 0.000 2.451 363 Q HA 0.095 4.434 4.340 -0.001 0.000 0.281 363 Q C -0.155 175.925 176.000 0.133 0.000 1.099 363 Q CA -0.614 55.263 55.803 0.124 0.000 0.806 363 Q CB 1.253 30.058 28.738 0.112 0.000 1.419 363 Q HN 0.131 nan 8.270 nan 0.000 0.427 364 W N 1.437 122.761 121.300 0.039 0.000 2.519 364 W HA 0.093 4.752 4.660 -0.001 0.000 0.266 364 W C 1.313 177.870 176.519 0.064 0.000 1.253 364 W CA 1.243 58.590 57.345 0.003 0.000 1.274 364 W CB -0.028 29.566 29.460 0.223 0.000 1.114 364 W HN 0.847 nan 8.180 nan 0.000 0.596 365 G N -0.268 108.687 108.800 0.259 0.000 2.985 365 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.209 365 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.209 365 G C -0.066 174.940 174.900 0.177 0.000 1.165 365 G CA -0.149 45.045 45.100 0.157 0.000 0.776 365 G HN -0.035 nan 8.290 nan 0.000 0.541 366 D N 0.844 121.317 120.400 0.121 0.000 2.316 366 D HA 0.123 4.762 4.640 -0.001 0.000 0.245 366 D C 0.942 177.267 176.300 0.041 0.000 1.171 366 D CA -0.539 53.475 54.000 0.023 0.000 0.856 366 D CB 0.710 41.480 40.800 -0.051 0.000 1.090 366 D HN 0.574 nan 8.370 nan 0.000 0.476 367 W N 0.895 122.207 121.300 0.020 0.000 2.975 367 W HA 0.183 4.843 4.660 -0.001 0.000 0.316 367 W C -0.007 176.565 176.519 0.088 0.000 1.131 367 W CA -0.528 56.852 57.345 0.057 0.000 1.624 367 W CB -0.438 28.983 29.460 -0.065 0.000 1.038 367 W HN 0.188 nan 8.180 nan 0.000 0.571 368 c N 5.605 123.909 118.600 -0.493 0.000 2.464 368 c HA 0.173 4.742 4.570 -0.001 0.000 0.370 368 c C 1.123 175.123 174.090 -0.150 0.000 1.267 368 c CA -0.249 55.852 56.329 -0.379 0.000 1.781 368 c CB -1.513 40.520 42.510 -0.796 0.000 2.431 368 c HN 0.342 nan 8.230 nan 0.000 0.556 369 N N 3.885 122.537 118.700 -0.080 0.000 2.702 369 N HA -0.160 4.579 4.740 -0.001 0.000 0.261 369 N C 0.004 175.510 175.510 -0.007 0.000 0.965 369 N CA 0.587 53.494 53.050 -0.239 0.000 0.795 369 N CB -0.931 37.438 38.487 -0.197 0.000 0.909 369 N HN 0.614 nan 8.380 nan 0.000 0.546 370 V N 1.284 121.154 119.914 -0.074 0.000 2.720 370 V HA -0.071 4.048 4.120 -0.001 0.000 0.307 370 V C 1.655 177.695 176.094 -0.090 0.000 1.071 370 V CA 0.043 62.208 62.300 -0.226 0.000 1.199 370 V CB 0.236 31.629 31.823 -0.717 0.000 0.900 370 V HN 0.343 nan 8.190 nan 0.000 0.494 371 I N 1.684 122.183 120.570 -0.119 0.000 2.886 371 I HA 0.705 4.875 4.170 -0.001 0.000 0.299 371 I C 1.065 177.067 176.117 -0.190 0.000 1.044 371 I CA 0.012 61.229 61.300 -0.137 0.000 1.310 371 I CB 0.569 38.509 38.000 -0.100 0.000 1.441 371 I HN 0.853 nan 8.210 nan 0.000 0.578 372 G N 2.545 111.222 108.800 -0.204 0.000 2.295 372 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.287 372 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.287 372 G C 0.046 174.834 174.900 -0.187 0.000 1.055 372 G CA 0.405 45.400 45.100 -0.175 0.000 0.922 372 G HN 1.373 nan 8.290 nan 0.000 0.503 373 T N -2.377 112.021 114.554 -0.259 0.000 2.893 373 T HA 0.882 5.231 4.350 -0.001 0.000 0.291 373 T C 0.238 174.766 174.700 -0.287 0.000 1.028 373 T CA 0.145 62.116 62.100 -0.216 0.000 0.995 373 T CB 2.880 71.650 68.868 -0.163 0.000 1.051 373 T HN 1.616 nan 8.240 nan 0.000 0.470 374 G N 0.899 109.572 108.800 -0.212 0.000 2.680 374 G HA2 0.625 4.584 3.960 -0.001 0.000 0.290 374 G HA3 0.625 4.584 3.960 -0.001 0.000 0.290 374 G C -1.179 173.586 174.900 -0.225 0.000 1.355 374 G CA -1.025 43.916 45.100 -0.264 0.000 0.903 374 G HN 0.605 nan 8.290 nan 0.000 0.474 375 F N 0.462 120.394 119.950 -0.030 0.000 2.563 375 F HA 0.429 4.955 4.527 -0.002 0.000 0.363 375 F C 1.346 177.176 175.800 0.051 0.000 1.123 375 F CA 1.271 59.249 58.000 -0.036 0.000 1.307 375 F CB 1.042 40.225 39.000 0.305 0.000 1.115 375 F HN 0.562 nan 8.300 nan 0.000 0.592 376 G N 2.253 111.187 108.800 0.224 0.000 3.039 376 G HA2 0.490 4.449 3.960 -0.001 0.000 0.159 376 G HA3 0.490 4.449 3.960 -0.001 0.000 0.159 376 G C -0.371 174.714 174.900 0.307 0.000 1.284 376 G CA -1.094 44.129 45.100 0.204 0.000 0.996 376 G HN 0.526 nan 8.290 nan 0.000 0.592 377 I N 1.850 122.504 120.570 0.140 0.000 2.906 377 I HA -0.046 4.123 4.170 -0.001 0.000 0.301 377 I C 0.643 176.849 176.117 0.149 0.000 1.221 377 I CA 0.127 61.405 61.300 -0.037 0.000 1.435 377 I CB 0.220 37.971 38.000 -0.415 0.000 1.345 377 I HN 0.177 nan 8.210 nan 0.000 0.558 378 R N 6.824 127.303 120.500 -0.034 0.000 2.582 378 R HA 0.296 4.635 4.340 -0.001 0.000 0.271 378 R C -2.287 173.894 176.300 -0.199 0.000 1.078 378 R CA -1.982 54.009 56.100 -0.181 0.000 1.127 378 R CB -0.321 29.838 30.300 -0.236 0.000 1.038 378 R HN 0.271 nan 8.270 nan 0.000 0.500 379 P HA -0.033 nan 4.420 nan 0.000 0.261 379 P C -0.661 176.620 177.300 -0.032 0.000 1.183 379 P CA 0.719 63.752 63.100 -0.112 0.000 0.761 379 P CB 0.604 32.200 31.700 -0.174 0.000 0.785 380 S N 1.372 117.106 115.700 0.056 0.000 2.614 380 S HA 0.561 5.030 4.470 -0.001 0.000 0.280 380 S C 0.041 174.647 174.600 0.011 0.000 1.111 380 S CA -0.345 57.890 58.200 0.058 0.000 0.847 380 S CB 1.028 64.273 63.200 0.076 0.000 1.079 380 S HN 0.284 nan 8.310 nan 0.000 0.452 381 A N 0.854 123.661 122.820 -0.021 0.000 2.275 381 A HA 0.331 4.650 4.320 -0.001 0.000 0.212 381 A C 0.591 178.138 177.584 -0.062 0.000 1.201 381 A CA -0.159 51.824 52.037 -0.090 0.000 0.843 381 A CB -0.696 18.302 19.000 -0.003 0.000 0.873 381 A HN 0.811 nan 8.150 nan 0.000 0.492 382 N N 1.196 119.901 118.700 0.009 0.000 3.124 382 N HA 0.082 4.822 4.740 -0.001 0.000 0.284 382 N C 0.990 176.540 175.510 0.066 0.000 1.209 382 N CA 0.373 53.444 53.050 0.034 0.000 1.149 382 N CB 0.486 39.008 38.487 0.058 0.000 1.434 382 N HN 0.486 nan 8.380 nan 0.000 0.529 383 T N -2.462 112.050 114.554 -0.071 0.000 3.043 383 T HA 0.093 4.442 4.350 -0.001 0.000 0.263 383 T C 1.621 176.347 174.700 0.044 0.000 1.094 383 T CA 0.559 62.538 62.100 -0.201 0.000 1.127 383 T CB 0.102 68.566 68.868 -0.674 0.000 0.905 383 T HN 0.420 nan 8.240 nan 0.000 0.490 384 G N 1.056 109.902 108.800 0.076 0.000 2.153 384 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.252 384 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.252 384 G C -0.296 174.701 174.900 0.162 0.000 0.994 384 G CA 0.281 45.460 45.100 0.131 0.000 0.698 384 G HN 0.844 nan 8.290 nan 0.000 0.521 385 D N -1.434 119.049 120.400 0.139 0.000 2.738 385 D HA 0.625 5.265 4.640 -0.001 0.000 0.237 385 D C 1.508 177.906 176.300 0.163 0.000 1.123 385 D CA 0.239 54.368 54.000 0.214 0.000 0.856 385 D CB 1.202 42.202 40.800 0.333 0.000 1.552 385 D HN 0.186 nan 8.370 nan 0.000 0.480 386 S N 2.305 118.124 115.700 0.197 0.000 2.453 386 S HA -0.051 4.418 4.470 -0.001 0.000 0.231 386 S C 1.493 176.189 174.600 0.159 0.000 1.005 386 S CA 0.473 58.775 58.200 0.170 0.000 0.949 386 S CB -0.149 63.144 63.200 0.156 0.000 0.774 386 S HN 0.579 nan 8.310 nan 0.000 0.510 387 L N -0.255 121.007 121.223 0.066 0.000 2.638 387 L HA 0.457 4.796 4.340 -0.001 0.000 0.232 387 L C 0.094 177.076 176.870 0.187 0.000 1.099 387 L CA -0.151 54.690 54.840 0.001 0.000 0.883 387 L CB 0.217 42.070 42.059 -0.344 0.000 1.136 387 L HN 0.251 nan 8.230 nan 0.000 0.492 388 L N 0.599 121.871 121.223 0.082 0.000 2.259 388 L HA 0.207 4.546 4.340 -0.001 0.000 0.288 388 L C 0.882 177.684 176.870 -0.114 0.000 1.051 388 L CA 0.280 55.082 54.840 -0.063 0.000 0.824 388 L CB 0.538 42.370 42.059 -0.379 0.000 1.206 388 L HN -0.044 nan 8.230 nan 0.000 0.429 389 D N 1.378 121.752 120.400 -0.044 0.000 2.144 389 D HA -0.055 4.584 4.640 -0.001 0.000 0.199 389 D C 0.385 176.454 176.300 -0.386 0.000 0.984 389 D CA 0.999 54.930 54.000 -0.116 0.000 0.834 389 D CB 0.445 41.267 40.800 0.037 0.000 0.955 389 D HN 0.461 nan 8.370 nan 0.000 0.465 390 S N -1.703 113.624 115.700 -0.621 0.000 2.586 390 S HA 0.344 4.813 4.470 -0.001 0.000 0.277 390 S C -1.676 172.511 174.600 -0.688 0.000 1.131 390 S CA -0.806 56.938 58.200 -0.760 0.000 0.848 390 S CB 0.116 62.573 63.200 -1.239 0.000 1.091 390 S HN -0.132 nan 8.310 nan 0.000 0.453 391 F N 2.447 122.151 119.950 -0.411 0.000 2.399 391 F HA 0.626 5.152 4.527 -0.001 0.000 0.342 391 F C 0.776 176.454 175.800 -0.204 0.000 1.106 391 F CA -0.007 57.811 58.000 -0.304 0.000 1.196 391 F CB 1.575 40.438 39.000 -0.229 0.000 1.163 391 F HN 0.511 nan 8.300 nan 0.000 0.547 392 V N -0.992 118.996 119.914 0.124 0.000 3.181 392 V HA 0.571 4.690 4.120 -0.001 0.000 0.308 392 V C -2.015 174.334 176.094 0.425 0.000 1.214 392 V CA -1.116 61.297 62.300 0.188 0.000 1.053 392 V CB 2.183 34.036 31.823 0.051 0.000 1.069 392 V HN 0.643 nan 8.190 nan 0.000 0.441 393 W N 1.595 122.962 121.300 0.113 0.000 2.443 393 W HA 0.755 5.414 4.660 -0.002 0.000 0.303 393 W C 0.428 177.028 176.519 0.134 0.000 0.991 393 W CA -1.066 56.350 57.345 0.119 0.000 1.522 393 W CB 1.229 30.772 29.460 0.138 0.000 1.315 393 W HN 0.489 nan 8.180 nan 0.000 0.419 394 V N 1.555 121.567 119.914 0.163 0.000 2.374 394 V HA -0.065 4.054 4.120 -0.001 0.000 0.241 394 V C 0.992 177.318 176.094 0.387 0.000 1.034 394 V CA 0.922 63.254 62.300 0.054 0.000 1.037 394 V CB -0.429 31.238 31.823 -0.260 0.000 0.682 394 V HN 0.092 nan 8.190 nan 0.000 0.463 395 K N 2.627 123.209 120.400 0.303 0.000 2.285 395 K HA 0.249 4.568 4.320 -0.001 0.000 0.286 395 K C -2.826 173.865 176.600 0.151 0.000 1.072 395 K CA -2.187 54.264 56.287 0.272 0.000 0.913 395 K CB 0.831 33.369 32.500 0.063 0.000 1.067 395 K HN 0.145 nan 8.250 nan 0.000 0.479 396 P HA 0.124 nan 4.420 nan 0.000 0.269 396 P C -0.247 177.201 177.300 0.247 0.000 1.263 396 P CA -0.273 62.882 63.100 0.091 0.000 0.813 396 P CB 0.931 32.671 31.700 0.066 0.000 0.868 397 G N 2.673 111.660 108.800 0.311 0.000 2.265 397 G HA2 0.283 4.242 3.960 -0.001 0.000 0.240 397 G HA3 0.283 4.242 3.960 -0.001 0.000 0.240 397 G C 1.089 176.293 174.900 0.507 0.000 1.270 397 G CA 0.400 45.701 45.100 0.336 0.000 0.901 397 G HN 0.791 nan 8.290 nan 0.000 0.507 398 G N 1.583 110.514 108.800 0.218 0.000 2.307 398 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.210 398 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.210 398 G C 0.295 174.978 174.900 -0.361 0.000 1.005 398 G CA 0.161 45.130 45.100 -0.219 0.000 0.634 398 G HN 0.749 nan 8.290 nan 0.000 0.496 399 E N 1.062 121.280 120.200 0.030 0.000 2.052 399 E HA 0.424 4.773 4.350 -0.001 0.000 0.283 399 E C 0.770 177.368 176.600 -0.003 0.000 1.071 399 E CA -0.405 56.054 56.400 0.098 0.000 0.851 399 E CB 1.076 30.893 29.700 0.195 0.000 1.066 399 E HN 0.381 nan 8.360 nan 0.000 0.396 400 C N 3.330 122.647 119.300 0.029 0.000 2.740 400 C HA -0.109 4.351 4.460 -0.001 0.000 0.399 400 C C 1.198 176.173 174.990 -0.026 0.000 1.257 400 C CA 0.129 59.165 59.018 0.029 0.000 1.844 400 C CB -0.112 27.638 27.740 0.018 0.000 2.682 400 C HN 0.756 nan 8.230 nan 0.000 0.661 401 D N 0.942 121.333 120.400 -0.014 0.000 2.389 401 D HA 0.293 4.932 4.640 -0.001 0.000 0.206 401 D C 0.584 176.969 176.300 0.142 0.000 1.055 401 D CA 1.226 55.260 54.000 0.056 0.000 0.856 401 D CB 0.497 41.383 40.800 0.142 0.000 0.957 401 D HN 0.944 nan 8.370 nan 0.000 0.509 402 G N -0.329 108.517 108.800 0.076 0.000 2.376 402 G HA2 0.139 4.099 3.960 -0.001 0.000 0.302 402 G HA3 0.139 4.099 3.960 -0.001 0.000 0.302 402 G C -0.869 174.050 174.900 0.032 0.000 1.586 402 G CA -0.781 44.370 45.100 0.084 0.000 0.907 402 G HN -0.116 nan 8.290 nan 0.000 0.655 403 T N -0.833 113.755 114.554 0.057 0.000 2.898 403 T HA 0.479 4.828 4.350 -0.001 0.000 0.301 403 T C 1.567 176.366 174.700 0.165 0.000 1.049 403 T CA 0.876 63.015 62.100 0.065 0.000 1.095 403 T CB 0.690 69.615 68.868 0.095 0.000 0.976 403 T HN 1.743 nan 8.240 nan 0.000 0.539 404 S N 1.847 117.630 115.700 0.138 0.000 2.650 404 S HA 0.192 4.661 4.470 -0.001 0.000 0.240 404 S C 0.040 174.715 174.600 0.125 0.000 1.007 404 S CA -0.574 57.771 58.200 0.241 0.000 0.984 404 S CB 0.231 63.498 63.200 0.111 0.000 0.910 404 S HN 0.701 nan 8.310 nan 0.000 0.509 405 D N 3.012 123.440 120.400 0.047 0.000 2.468 405 D HA 0.223 4.863 4.640 -0.001 0.000 0.218 405 D C 1.425 177.515 176.300 -0.350 0.000 1.155 405 D CA 0.223 54.150 54.000 -0.121 0.000 0.924 405 D CB 1.275 42.036 40.800 -0.066 0.000 1.029 405 D HN 0.349 nan 8.370 nan 0.000 0.515 406 S N 2.033 117.275 115.700 -0.764 0.000 2.413 406 S HA -0.316 4.154 4.470 -0.001 0.000 0.237 406 S C 1.868 176.157 174.600 -0.519 0.000 1.044 406 S CA 1.789 59.274 58.200 -1.191 0.000 1.024 406 S CB -0.436 62.278 63.200 -0.810 0.000 0.829 406 S HN 0.463 nan 8.310 nan 0.000 0.475 407 S N 2.178 117.710 115.700 -0.281 0.000 2.436 407 S HA 0.466 4.936 4.470 -0.001 0.000 0.228 407 S C 0.983 175.541 174.600 -0.070 0.000 1.014 407 S CA 0.115 58.232 58.200 -0.138 0.000 0.950 407 S CB -0.749 62.391 63.200 -0.101 0.000 0.784 407 S HN 0.887 nan 8.310 nan 0.000 0.504 408 A N 2.889 125.674 122.820 -0.057 0.000 2.386 408 A HA 0.598 4.917 4.320 -0.001 0.000 0.246 408 A C -2.341 175.279 177.584 0.060 0.000 1.089 408 A CA -1.288 50.753 52.037 0.006 0.000 0.790 408 A CB -0.593 18.417 19.000 0.017 0.000 1.042 408 A HN 0.346 nan 8.150 nan 0.000 0.497 409 P HA 0.315 nan 4.420 nan 0.000 0.274 409 P C -0.464 176.904 177.300 0.115 0.000 1.237 409 P CA -0.240 62.908 63.100 0.080 0.000 0.793 409 P CB 0.316 32.050 31.700 0.055 0.000 0.977 410 R N -1.046 119.525 120.500 0.118 0.000 3.336 410 R HA -0.211 4.128 4.340 -0.001 0.000 0.260 410 R C -0.590 175.807 176.300 0.162 0.000 1.032 410 R CA 0.097 56.269 56.100 0.119 0.000 0.693 410 R CB -2.418 27.937 30.300 0.092 0.000 1.134 410 R HN 0.392 nan 8.270 nan 0.000 0.433 411 F N 1.956 121.935 119.950 0.049 0.000 2.421 411 F HA 0.255 4.782 4.527 -0.001 0.000 0.358 411 F C 0.296 176.140 175.800 0.072 0.000 1.115 411 F CA -1.133 56.895 58.000 0.046 0.000 1.160 411 F CB 0.696 39.709 39.000 0.023 0.000 1.123 411 F HN 0.013 nan 8.300 nan 0.000 0.508 412 D N 3.918 123.927 120.400 -0.651 0.000 2.303 412 D HA 0.089 4.728 4.640 -0.001 0.000 0.236 412 D C 1.012 176.741 176.300 -0.953 0.000 1.068 412 D CA 0.099 53.792 54.000 -0.511 0.000 0.830 412 D CB 1.940 42.733 40.800 -0.012 0.000 1.109 412 D HN 0.675 nan 8.370 nan 0.000 0.496 413 S N 3.296 118.520 115.700 -0.795 0.000 2.440 413 S HA -0.266 4.203 4.470 -0.001 0.000 0.240 413 S C 1.410 175.772 174.600 -0.398 0.000 1.014 413 S CA 1.155 59.019 58.200 -0.561 0.000 0.980 413 S CB -0.522 62.533 63.200 -0.242 0.000 0.775 413 S HN 0.622 nan 8.310 nan 0.000 0.499 414 H N 0.177 118.994 119.070 -0.421 0.000 2.489 414 H HA 0.088 4.643 4.556 -0.001 0.000 0.293 414 H C 1.645 176.659 175.328 -0.524 0.000 1.066 414 H CA 1.349 57.089 56.048 -0.513 0.000 1.305 414 H CB -0.458 28.783 29.762 -0.869 0.000 1.386 414 H HN 0.511 nan 8.280 nan 0.000 0.551 415 c N -0.138 118.247 118.600 -0.358 0.000 2.578 415 c HA 0.461 5.031 4.570 -0.001 0.000 0.285 415 c C 2.041 176.102 174.090 -0.049 0.000 1.297 415 c CA 0.502 56.696 56.329 -0.226 0.000 1.690 415 c CB -1.159 41.247 42.510 -0.172 0.000 1.773 415 c HN 0.605 nan 8.230 nan 0.000 0.594 416 A N -0.432 122.370 122.820 -0.029 0.000 2.545 416 A HA 0.461 4.780 4.320 -0.001 0.000 0.263 416 A C 0.399 177.981 177.584 -0.004 0.000 1.202 416 A CA -0.109 51.970 52.037 0.070 0.000 0.959 416 A CB 0.041 19.184 19.000 0.238 0.000 1.124 416 A HN 0.493 nan 8.150 nan 0.000 0.543 417 L N -0.076 121.103 121.223 -0.073 0.000 2.452 417 L HA 0.192 4.532 4.340 -0.001 0.000 0.267 417 L C -1.376 175.460 176.870 -0.057 0.000 1.188 417 L CA -1.691 53.098 54.840 -0.085 0.000 0.821 417 L CB 0.590 42.566 42.059 -0.139 0.000 1.102 417 L HN 0.025 nan 8.230 nan 0.000 0.470 418 P HA -0.200 nan 4.420 nan 0.000 0.217 418 P C 0.429 177.705 177.300 -0.041 0.000 1.148 418 P CA 1.269 64.348 63.100 -0.034 0.000 0.834 418 P CB 0.010 31.691 31.700 -0.031 0.000 0.783 419 D N -1.691 118.673 120.400 -0.059 0.000 2.340 419 D HA 0.153 4.793 4.640 -0.001 0.000 0.220 419 D C 0.411 176.664 176.300 -0.079 0.000 1.039 419 D CA -0.109 53.847 54.000 -0.073 0.000 0.866 419 D CB -0.610 40.136 40.800 -0.091 0.000 0.913 419 D HN 0.063 nan 8.370 nan 0.000 0.523 420 A N 0.533 123.316 122.820 -0.062 0.000 2.305 420 A HA 0.519 4.838 4.320 -0.001 0.000 0.322 420 A C -0.471 177.132 177.584 0.031 0.000 1.187 420 A CA -0.807 51.206 52.037 -0.040 0.000 0.825 420 A CB 0.702 19.656 19.000 -0.077 0.000 1.164 420 A HN 0.231 nan 8.150 nan 0.000 0.498 421 L N 1.922 123.204 121.223 0.098 0.000 2.410 421 L HA 0.305 4.644 4.340 -0.001 0.000 0.273 421 L C 0.160 177.191 176.870 0.269 0.000 1.152 421 L CA 1.257 56.196 54.840 0.165 0.000 0.855 421 L CB 0.307 42.473 42.059 0.178 0.000 1.129 421 L HN 0.792 nan 8.230 nan 0.000 0.463 422 Q N 5.198 125.127 119.800 0.215 0.000 2.421 422 Q HA 0.582 4.921 4.340 -0.001 0.000 0.280 422 Q C -2.307 173.790 176.000 0.161 0.000 1.085 422 Q CA -1.731 54.178 55.803 0.177 0.000 0.807 422 Q CB 1.725 30.515 28.738 0.088 0.000 1.405 422 Q HN 0.574 nan 8.270 nan 0.000 0.419 423 P HA 0.460 nan 4.420 nan 0.000 0.281 423 P C -1.585 175.630 177.300 -0.142 0.000 1.249 423 P CA -0.425 62.681 63.100 0.010 0.000 0.810 423 P CB 1.151 32.838 31.700 -0.021 0.000 1.008 424 A N 3.619 126.305 122.820 -0.224 0.000 2.330 424 A HA 0.703 5.022 4.320 -0.001 0.000 0.327 424 A C -2.329 175.014 177.584 -0.402 0.000 1.155 424 A CA -1.674 50.025 52.037 -0.563 0.000 0.803 424 A CB 0.964 19.822 19.000 -0.237 0.000 1.208 424 A HN 0.440 nan 8.150 nan 0.000 0.477 425 P HA 0.215 nan 4.420 nan 0.000 0.297 425 P C -0.371 176.853 177.300 -0.126 0.000 1.303 425 P CA -0.278 62.677 63.100 -0.243 0.000 0.753 425 P CB 0.442 32.005 31.700 -0.228 0.000 1.281 426 Q N -0.472 119.300 119.800 -0.047 0.000 2.443 426 Q HA 0.409 4.748 4.340 -0.001 0.000 0.232 426 Q C -0.277 175.730 176.000 0.011 0.000 1.026 426 Q CA -0.239 55.567 55.803 0.004 0.000 0.924 426 Q CB -0.067 28.688 28.738 0.027 0.000 1.256 426 Q HN 0.536 nan 8.270 nan 0.000 0.519 427 A N 1.315 124.156 122.820 0.035 0.000 2.498 427 A HA 0.438 4.757 4.320 -0.001 0.000 0.239 427 A C 1.133 178.738 177.584 0.035 0.000 1.068 427 A CA 0.576 52.632 52.037 0.032 0.000 0.766 427 A CB -0.840 18.189 19.000 0.049 0.000 1.003 427 A HN 1.361 nan 8.150 nan 0.000 0.497 428 G N 0.491 109.302 108.800 0.018 0.000 2.284 428 G HA2 0.103 4.063 3.960 -0.001 0.000 0.247 428 G HA3 0.103 4.063 3.960 -0.001 0.000 0.247 428 G C 0.717 175.702 174.900 0.142 0.000 1.012 428 G CA 0.607 45.742 45.100 0.058 0.000 0.618 428 G HN 2.235 nan 8.290 nan 0.000 0.521 429 A N 0.567 123.457 122.820 0.116 0.000 2.351 429 A HA 0.493 4.812 4.320 -0.001 0.000 0.257 429 A C 0.426 178.138 177.584 0.214 0.000 1.087 429 A CA 0.161 52.291 52.037 0.155 0.000 0.798 429 A CB 0.258 19.306 19.000 0.081 0.000 1.033 429 A HN 0.954 nan 8.150 nan 0.000 0.488 430 W N 2.448 123.801 121.300 0.087 0.000 2.216 430 W HA 0.359 5.018 4.660 -0.002 0.000 0.326 430 W C -1.575 175.064 176.519 0.200 0.000 1.319 430 W CA 0.075 57.497 57.345 0.127 0.000 1.213 430 W CB 0.747 30.237 29.460 0.049 0.000 1.171 430 W HN 0.463 nan 8.180 nan 0.000 0.557 431 F N 6.565 126.129 119.950 -0.644 0.000 2.564 431 F HA 0.115 4.641 4.527 -0.002 0.000 0.368 431 F C 1.033 176.577 175.800 -0.426 0.000 1.127 431 F CA -1.294 56.500 58.000 -0.344 0.000 1.170 431 F CB 0.509 39.383 39.000 -0.210 0.000 1.397 431 F HN 0.477 nan 8.300 nan 0.000 0.493 432 Q N 4.260 124.141 119.800 0.134 0.000 2.112 432 Q HA -0.145 4.195 4.340 -0.001 0.000 0.206 432 Q C 1.902 178.021 176.000 0.199 0.000 0.987 432 Q CA 2.607 58.554 55.803 0.240 0.000 0.858 432 Q CB -0.022 28.935 28.738 0.365 0.000 0.905 432 Q HN 0.690 nan 8.270 nan 0.000 0.420 433 A N -0.992 121.942 122.820 0.190 0.000 1.898 433 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 433 A C 2.008 179.427 177.584 -0.274 0.000 1.181 433 A CA 1.428 53.470 52.037 0.007 0.000 0.620 433 A CB -1.031 18.034 19.000 0.108 0.000 0.819 433 A HN 0.598 nan 8.150 nan 0.000 0.442 434 Y N -1.096 118.721 120.300 -0.805 0.000 2.163 434 Y HA -0.188 4.362 4.550 -0.001 0.000 0.288 434 Y C 2.026 177.678 175.900 -0.414 0.000 1.136 434 Y CA 1.970 59.591 58.100 -0.798 0.000 1.147 434 Y CB -0.483 37.290 38.460 -1.145 0.000 0.987 434 Y HN 0.387 nan 8.280 nan 0.000 0.509 435 F N -0.587 119.184 119.950 -0.298 0.000 2.202 435 F HA -0.213 4.313 4.527 -0.002 0.000 0.301 435 F C 1.936 177.689 175.800 -0.078 0.000 1.082 435 F CA 1.514 59.420 58.000 -0.157 0.000 1.313 435 F CB -0.536 38.414 39.000 -0.083 0.000 1.024 435 F HN -0.122 nan 8.300 nan 0.000 0.495 436 V N 0.562 120.419 119.914 -0.094 0.000 2.453 436 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 436 V C 2.425 178.362 176.094 -0.260 0.000 1.048 436 V CA 2.042 64.269 62.300 -0.122 0.000 1.049 436 V CB -0.770 31.067 31.823 0.023 0.000 0.672 436 V HN 0.479 nan 8.190 nan 0.000 0.457 437 Q N -0.117 119.465 119.800 -0.363 0.000 2.124 437 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 437 Q C 2.244 177.966 176.000 -0.463 0.000 0.977 437 Q CA 1.779 57.336 55.803 -0.411 0.000 0.850 437 Q CB -0.142 28.260 28.738 -0.560 0.000 0.901 437 Q HN 0.595 nan 8.270 nan 0.000 0.429 438 L N 0.293 121.126 121.223 -0.650 0.000 2.093 438 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 438 L C 2.420 178.998 176.870 -0.487 0.000 1.085 438 L CA 0.394 54.756 54.840 -0.797 0.000 0.755 438 L CB -0.292 40.962 42.059 -1.342 0.000 0.904 438 L HN 0.304 nan 8.230 nan 0.000 0.435 439 L N -0.774 120.267 121.223 -0.304 0.000 2.109 439 L HA -0.112 4.228 4.340 -0.001 0.000 0.207 439 L C 2.375 179.277 176.870 0.053 0.000 1.086 439 L CA 1.859 56.714 54.840 0.024 0.000 0.760 439 L CB -0.571 41.401 42.059 -0.145 0.000 0.910 439 L HN 0.088 nan 8.230 nan 0.000 0.437 440 T N -0.544 113.973 114.554 -0.061 0.000 2.995 440 T HA -0.060 4.289 4.350 -0.001 0.000 0.269 440 T C 1.241 175.922 174.700 -0.032 0.000 1.091 440 T CA 1.420 63.499 62.100 -0.035 0.000 1.128 440 T CB -0.368 68.457 68.868 -0.072 0.000 0.891 440 T HN 0.472 nan 8.240 nan 0.000 0.492 441 N N 0.708 119.366 118.700 -0.070 0.000 2.238 441 N HA 0.393 5.132 4.740 -0.001 0.000 0.222 441 N C 0.019 175.527 175.510 -0.003 0.000 1.133 441 N CA -0.522 52.490 53.050 -0.063 0.000 0.854 441 N CB 0.522 38.930 38.487 -0.133 0.000 1.041 441 N HN 0.217 nan 8.380 nan 0.000 0.510 442 A N 1.593 124.474 122.820 0.100 0.000 2.511 442 A HA 0.164 4.483 4.320 -0.001 0.000 0.242 442 A C 0.174 177.815 177.584 0.095 0.000 1.069 442 A CA 0.496 52.667 52.037 0.223 0.000 0.763 442 A CB 0.071 19.376 19.000 0.509 0.000 1.001 442 A HN 0.364 nan 8.150 nan 0.000 0.498 443 N N 1.996 120.743 118.700 0.078 0.000 2.655 443 N HA 0.380 5.120 4.740 -0.001 0.000 0.277 443 N C -3.334 172.185 175.510 0.016 0.000 1.177 443 N CA -1.283 51.777 53.050 0.017 0.000 0.882 443 N CB 1.498 39.995 38.487 0.016 0.000 1.481 443 N HN 0.216 nan 8.380 nan 0.000 0.547 444 P HA -0.009 nan 4.420 nan 0.000 0.263 444 P C -0.303 176.880 177.300 -0.195 0.000 1.175 444 P CA 0.196 63.222 63.100 -0.122 0.000 0.761 444 P CB 0.571 32.166 31.700 -0.174 0.000 0.794 445 S N 1.997 117.613 115.700 -0.141 0.000 2.585 445 S HA 0.231 4.700 4.470 -0.001 0.000 0.273 445 S C 0.433 174.907 174.600 -0.209 0.000 1.339 445 S CA -0.209 57.934 58.200 -0.094 0.000 1.028 445 S CB -0.143 63.051 63.200 -0.010 0.000 0.906 445 S HN 0.251 nan 8.310 nan 0.000 0.528 446 F N 1.672 121.663 119.950 0.068 0.000 2.717 446 F HA 0.408 4.934 4.527 -0.002 0.000 0.295 446 F C 0.798 176.622 175.800 0.040 0.000 1.117 446 F CA -0.150 57.882 58.000 0.052 0.000 1.361 446 F CB 0.080 39.119 39.000 0.065 0.000 1.112 446 F HN 0.319 nan 8.300 nan 0.000 0.594 447 L N 0.000 121.335 121.223 0.186 0.000 2.949 447 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 447 L CA 0.000 54.910 54.840 0.117 0.000 0.813 447 L CB 0.000 42.114 42.059 0.091 0.000 0.961 447 L HN 0.000 nan 8.230 nan 0.000 0.502