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 1z4x_1_A DATA FIRST_RESID 118 DATA SEQUENCE INDNRYINGI NQFYFSIAEG RNLTLGPLLN MPSFIPTATT PEGcTRIPSF DATA SEQUENCE SLTKTHWcYT HNVILNGcQD HVSSNQFVSM GIIEPTSAGF PFFRTLKTLY DATA SEQUENCE LSDGVNRKSc SISTVPGGcM MYcFVSTQPE RDDYFSAAPP EQRIIIMYYN DATA SEQUENCE DTIVERIINP PGVLDVWATL NPGTGSGVYY LGWVLFPIYG GVIKGTSLWN DATA SEQUENCE NQANKYFIPQ MVAALCSQNQ ATQVQNAKSS YYSSWFGNRM IQSGILAcPL DATA SEQUENCE RQDLTNEcLV LPFSNDQVLM GAEGRLYMYG DSVYYYQRSN SWWPMTMLYK DATA SEQUENCE VTITFTNGQP SAISAQNVPT QQVPRPGTGD cSATNRCPGF cLTGVYADAW DATA SEQUENCE LLTNPSSTST FGSEATFTGS YLNTATQRIN PTMYIANNTQ IISSQQFGSS DATA SEQUENCE GQEAAYGHTT cFRDTGSVMV YcIYIIELSS SLLGQFQIVP FIRQVTLS 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 118 I HA 0.000 nan 4.170 nan 0.000 0.288 118 I C 0.000 176.058 176.117 -0.099 0.000 1.063 118 I CA 0.000 61.209 61.300 -0.152 0.000 1.566 118 I CB 0.000 37.940 38.000 -0.100 0.000 1.214 119 N N 4.049 122.711 118.700 -0.064 0.000 2.416 119 N HA 0.029 4.769 4.740 -0.000 0.000 0.246 119 N C -0.728 174.798 175.510 0.027 0.000 1.260 119 N CA 0.164 53.203 53.050 -0.018 0.000 0.897 119 N CB 0.393 38.881 38.487 0.001 0.000 1.110 119 N HN 0.559 nan 8.380 nan 0.000 0.439 120 D N 0.445 120.900 120.400 0.091 0.000 2.400 120 D HA -0.043 4.597 4.640 -0.000 0.000 0.238 120 D C 0.658 176.938 176.300 -0.033 0.000 1.157 120 D CA -0.209 53.808 54.000 0.028 0.000 0.889 120 D CB 0.690 41.509 40.800 0.032 0.000 1.199 120 D HN 0.273 nan 8.370 nan 0.000 0.436 121 N N 1.887 120.546 118.700 -0.068 0.000 2.348 121 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 121 N C 1.387 176.818 175.510 -0.132 0.000 1.019 121 N CA 0.625 53.634 53.050 -0.070 0.000 0.880 121 N CB -0.067 38.387 38.487 -0.055 0.000 0.965 121 N HN 0.402 nan 8.380 nan 0.000 0.437 122 R N -0.595 119.726 120.500 -0.299 0.000 2.280 122 R HA -0.029 4.311 4.340 -0.000 0.000 0.207 122 R C 0.520 176.490 176.300 -0.551 0.000 1.043 122 R CA 0.755 56.559 56.100 -0.494 0.000 1.006 122 R CB 0.093 29.932 30.300 -0.768 0.000 0.885 122 R HN 0.416 nan 8.270 nan 0.000 0.467 123 Y N -1.126 119.192 120.300 0.031 0.000 2.441 123 Y HA 0.128 4.678 4.550 -0.000 0.000 0.266 123 Y C 1.858 177.779 175.900 0.036 0.000 1.093 123 Y CA -0.727 57.400 58.100 0.044 0.000 1.246 123 Y CB -0.334 38.098 38.460 -0.046 0.000 1.262 123 Y HN -0.110 nan 8.280 nan 0.000 0.518 124 I N -1.053 119.596 120.570 0.131 0.000 2.399 124 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 124 I C 0.718 176.898 176.117 0.105 0.000 1.146 124 I CA 1.909 63.264 61.300 0.092 0.000 1.412 124 I CB -0.190 37.838 38.000 0.048 0.000 1.076 124 I HN 0.075 nan 8.210 nan 0.000 0.432 125 N N 1.156 119.923 118.700 0.112 0.000 2.214 125 N HA 0.189 4.929 4.740 -0.000 0.000 0.214 125 N C 1.050 176.667 175.510 0.179 0.000 1.132 125 N CA 0.688 53.811 53.050 0.121 0.000 0.856 125 N CB 1.194 39.733 38.487 0.087 0.000 1.020 125 N HN 0.557 nan 8.380 nan 0.000 0.509 126 G N 0.031 108.973 108.800 0.237 0.000 4.144 126 G HA2 0.371 4.331 3.960 -0.000 0.000 0.297 126 G HA3 0.371 4.331 3.960 -0.000 0.000 0.297 126 G C -0.057 175.120 174.900 0.461 0.000 1.090 126 G CA -0.100 45.200 45.100 0.334 0.000 0.870 126 G HN 0.068 nan 8.290 nan 0.000 0.532 127 I N 0.244 121.035 120.570 0.368 0.000 2.493 127 I HA 0.290 4.460 4.170 -0.000 0.000 0.298 127 I C -0.494 175.812 176.117 0.314 0.000 0.998 127 I CA -1.020 60.503 61.300 0.371 0.000 1.137 127 I CB 1.793 39.921 38.000 0.213 0.000 1.310 127 I HN -0.051 nan 8.210 nan 0.000 0.445 128 N N 4.571 123.501 118.700 0.384 0.000 2.671 128 N HA -0.197 4.543 4.740 -0.000 0.000 0.261 128 N C -0.994 174.504 175.510 -0.020 0.000 1.053 128 N CA 0.819 53.973 53.050 0.173 0.000 0.732 128 N CB -0.722 37.804 38.487 0.065 0.000 0.887 128 N HN 0.633 nan 8.380 nan 0.000 0.546 129 Q N -0.943 118.786 119.800 -0.119 0.000 2.565 129 Q HA 0.544 4.884 4.340 -0.000 0.000 0.294 129 Q C -0.909 174.701 176.000 -0.650 0.000 1.005 129 Q CA -0.730 54.872 55.803 -0.335 0.000 0.771 129 Q CB 1.015 29.653 28.738 -0.168 0.000 1.486 129 Q HN 0.137 nan 8.270 nan 0.000 0.422 130 F N 1.424 121.212 119.950 -0.270 0.000 2.421 130 F HA 0.233 4.760 4.527 0.000 0.000 0.358 130 F C 0.301 175.903 175.800 -0.330 0.000 1.115 130 F CA -0.149 57.674 58.000 -0.294 0.000 1.160 130 F CB 0.328 39.207 39.000 -0.202 0.000 1.123 130 F HN 0.564 nan 8.300 nan 0.000 0.508 131 Y N 1.495 121.887 120.300 0.153 0.000 2.475 131 Y HA 0.151 4.701 4.550 0.000 0.000 0.289 131 Y C 0.276 175.876 175.900 -0.501 0.000 1.121 131 Y CA 0.076 58.033 58.100 -0.238 0.000 1.257 131 Y CB -0.292 37.876 38.460 -0.487 0.000 1.026 131 Y HN 0.219 nan 8.280 nan 0.000 0.555 132 F N -1.032 119.072 119.950 0.257 0.000 2.579 132 F HA 0.467 4.994 4.527 -0.000 0.000 0.324 132 F C 0.476 176.325 175.800 0.081 0.000 1.058 132 F CA -1.937 56.155 58.000 0.153 0.000 0.944 132 F CB 1.085 40.162 39.000 0.129 0.000 1.245 132 F HN -0.343 nan 8.300 nan 0.000 0.477 133 S N 1.569 117.430 115.700 0.268 0.000 2.645 133 S HA 0.338 4.808 4.470 -0.000 0.000 0.266 133 S C 1.151 175.804 174.600 0.087 0.000 1.258 133 S CA -0.744 57.531 58.200 0.125 0.000 0.990 133 S CB 0.655 63.915 63.200 0.101 0.000 0.967 133 S HN 0.460 nan 8.310 nan 0.000 0.556 134 I N 1.153 121.735 120.570 0.020 0.000 2.163 134 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 134 I C 2.887 179.003 176.117 -0.001 0.000 1.085 134 I CA 1.964 63.259 61.300 -0.009 0.000 1.347 134 I CB -2.372 35.607 38.000 -0.034 0.000 1.044 134 I HN 0.869 nan 8.210 nan 0.000 0.408 135 A N 0.681 123.507 122.820 0.010 0.000 1.908 135 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 135 A C 2.231 179.813 177.584 -0.003 0.000 1.181 135 A CA 1.711 53.749 52.037 0.003 0.000 0.627 135 A CB -0.663 18.345 19.000 0.012 0.000 0.818 135 A HN 0.530 nan 8.150 nan 0.000 0.445 136 E N -0.722 119.492 120.200 0.025 0.000 2.150 136 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 136 E C 2.043 178.571 176.600 -0.120 0.000 0.985 136 E CA 0.532 56.924 56.400 -0.013 0.000 0.814 136 E CB -0.352 29.414 29.700 0.110 0.000 0.752 136 E HN 0.618 nan 8.360 nan 0.000 0.466 137 G N 1.444 110.209 108.800 -0.059 0.000 2.462 137 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 137 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 137 G C 1.515 176.346 174.900 -0.115 0.000 1.121 137 G CA 0.333 45.376 45.100 -0.095 0.000 0.758 137 G HN 0.128 nan 8.290 nan 0.000 0.559 138 R N -0.061 120.386 120.500 -0.088 0.000 2.189 138 R HA 0.036 4.376 4.340 -0.000 0.000 0.218 138 R C 0.633 176.875 176.300 -0.095 0.000 1.074 138 R CA 0.704 56.755 56.100 -0.082 0.000 0.991 138 R CB 0.050 30.316 30.300 -0.058 0.000 0.883 138 R HN 0.185 nan 8.270 nan 0.000 0.457 139 N N 0.494 119.122 118.700 -0.121 0.000 2.389 139 N HA 0.160 4.900 4.740 -0.000 0.000 0.260 139 N C -0.764 174.643 175.510 -0.172 0.000 1.191 139 N CA 0.095 53.072 53.050 -0.122 0.000 0.885 139 N CB 0.724 39.154 38.487 -0.095 0.000 1.162 139 N HN 0.072 nan 8.380 nan 0.000 0.512 140 L N -0.050 121.051 121.223 -0.204 0.000 2.325 140 L HA 0.491 4.831 4.340 -0.000 0.000 0.279 140 L C 0.614 177.395 176.870 -0.148 0.000 1.054 140 L CA -0.210 54.484 54.840 -0.243 0.000 0.804 140 L CB 1.839 43.704 42.059 -0.324 0.000 1.200 140 L HN -0.105 nan 8.230 nan 0.000 0.436 141 T N 2.877 117.354 114.554 -0.128 0.000 2.900 141 T HA 0.535 4.885 4.350 -0.000 0.000 0.303 141 T C -0.830 173.827 174.700 -0.072 0.000 1.142 141 T CA -0.578 61.471 62.100 -0.085 0.000 1.007 141 T CB 1.165 69.989 68.868 -0.073 0.000 1.156 141 T HN 0.339 nan 8.240 nan 0.000 0.490 142 L N 3.585 124.773 121.223 -0.058 0.000 2.290 142 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 142 L C 1.396 178.231 176.870 -0.058 0.000 1.078 142 L CA -0.696 54.111 54.840 -0.055 0.000 0.815 142 L CB 0.733 42.747 42.059 -0.075 0.000 1.162 142 L HN 0.814 nan 8.230 nan 0.000 0.435 143 G N 3.763 112.530 108.800 -0.055 0.000 2.580 143 G HA2 0.407 4.367 3.960 -0.000 0.000 0.278 143 G HA3 0.407 4.367 3.960 -0.000 0.000 0.278 143 G C -2.544 172.329 174.900 -0.045 0.000 1.212 143 G CA -1.128 43.944 45.100 -0.048 0.000 0.939 143 G HN 0.326 nan 8.290 nan 0.000 0.513 144 P HA 0.071 nan 4.420 nan 0.000 0.268 144 P C 0.082 177.359 177.300 -0.039 0.000 1.208 144 P CA 0.011 63.093 63.100 -0.031 0.000 0.777 144 P CB 0.495 32.187 31.700 -0.014 0.000 0.875 145 L N 2.194 123.399 121.223 -0.031 0.000 2.453 145 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 145 L C 0.427 177.263 176.870 -0.056 0.000 1.182 145 L CA 0.106 54.936 54.840 -0.017 0.000 0.858 145 L CB -0.185 41.894 42.059 0.034 0.000 1.120 145 L HN 0.168 nan 8.230 nan 0.000 0.474 146 L N 2.747 123.884 121.223 -0.143 0.000 2.331 146 L HA 0.377 4.717 4.340 -0.000 0.000 0.275 146 L C -0.194 176.532 176.870 -0.240 0.000 1.022 146 L CA -0.668 53.948 54.840 -0.372 0.000 0.812 146 L CB 1.736 43.234 42.059 -0.933 0.000 1.257 146 L HN 0.522 nan 8.230 nan 0.000 0.435 147 N N 3.611 122.238 118.700 -0.122 0.000 2.426 147 N HA 0.534 5.274 4.740 -0.000 0.000 0.257 147 N C -0.893 174.753 175.510 0.228 0.000 1.002 147 N CA -0.416 52.671 53.050 0.062 0.000 0.942 147 N CB 0.693 39.242 38.487 0.103 0.000 1.112 147 N HN 0.537 nan 8.380 nan 0.000 0.499 148 M N 1.348 121.061 119.600 0.188 0.000 2.619 148 M HA 0.711 5.191 4.480 -0.000 0.000 0.297 148 M C -2.681 173.730 176.300 0.185 0.000 1.229 148 M CA -2.045 53.429 55.300 0.290 0.000 0.860 148 M CB 1.682 34.520 32.600 0.396 0.000 1.741 148 M HN 0.141 nan 8.290 nan 0.000 0.462 149 P HA 0.164 nan 4.420 nan 0.000 0.271 149 P C -0.685 176.730 177.300 0.191 0.000 1.233 149 P CA 0.001 63.207 63.100 0.177 0.000 0.764 149 P CB 0.894 32.714 31.700 0.201 0.000 0.825 150 S N 2.600 118.309 115.700 0.014 0.000 2.549 150 S HA 0.097 4.567 4.470 -0.000 0.000 0.286 150 S C 0.738 175.284 174.600 -0.089 0.000 1.314 150 S CA -0.490 57.613 58.200 -0.161 0.000 1.062 150 S CB -0.261 62.758 63.200 -0.301 0.000 0.865 150 S HN 0.409 nan 8.310 nan 0.000 0.498 151 F N 3.684 123.518 119.950 -0.193 0.000 2.727 151 F HA 0.517 5.044 4.527 -0.000 0.000 0.302 151 F C 0.047 175.719 175.800 -0.214 0.000 1.097 151 F CA -0.721 57.204 58.000 -0.124 0.000 1.330 151 F CB -0.116 38.779 39.000 -0.176 0.000 1.084 151 F HN 0.281 nan 8.300 nan 0.000 0.578 152 I N 4.962 125.060 120.570 -0.787 0.000 2.312 152 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 152 I C -2.055 173.842 176.117 -0.366 0.000 1.008 152 I CA -2.258 58.635 61.300 -0.678 0.000 1.226 152 I CB 1.082 38.542 38.000 -0.901 0.000 1.371 152 I HN -0.127 nan 8.210 nan 0.000 0.468 153 P HA 0.080 nan 4.420 nan 0.000 0.268 153 P C -0.257 176.936 177.300 -0.178 0.000 1.205 153 P CA -0.032 62.866 63.100 -0.336 0.000 0.771 153 P CB 0.916 32.200 31.700 -0.693 0.000 0.858 154 T N 1.385 115.847 114.554 -0.153 0.000 2.902 154 T HA 0.507 4.857 4.350 -0.000 0.000 0.280 154 T C 0.280 174.927 174.700 -0.089 0.000 0.992 154 T CA -0.166 61.869 62.100 -0.109 0.000 1.015 154 T CB 0.841 69.650 68.868 -0.099 0.000 1.044 154 T HN 0.525 nan 8.240 nan 0.000 0.520 155 A N 0.984 123.765 122.820 -0.064 0.000 2.304 155 A HA 0.514 4.834 4.320 -0.000 0.000 0.271 155 A C 1.193 178.754 177.584 -0.038 0.000 1.091 155 A CA -0.307 51.704 52.037 -0.043 0.000 0.812 155 A CB 0.126 19.111 19.000 -0.024 0.000 1.056 155 A HN 0.914 nan 8.150 nan 0.000 0.489 156 T N -2.248 112.290 114.554 -0.027 0.000 3.132 156 T HA 0.376 4.726 4.350 -0.000 0.000 0.274 156 T C 0.273 174.965 174.700 -0.013 0.000 1.011 156 T CA 0.473 62.560 62.100 -0.023 0.000 0.899 156 T CB -0.817 68.038 68.868 -0.023 0.000 1.089 156 T HN 1.125 nan 8.240 nan 0.000 0.543 157 T N -1.828 112.721 114.554 -0.009 0.000 2.896 157 T HA 0.568 4.918 4.350 -0.000 0.000 0.297 157 T C -2.652 172.042 174.700 -0.009 0.000 1.108 157 T CA -1.770 60.327 62.100 -0.005 0.000 1.004 157 T CB 2.087 70.957 68.868 0.003 0.000 1.159 157 T HN -0.345 nan 8.240 nan 0.000 0.499 158 P HA -0.071 nan 4.420 nan 0.000 0.218 158 P C 1.374 178.665 177.300 -0.016 0.000 1.149 158 P CA 0.839 63.929 63.100 -0.017 0.000 0.817 158 P CB 0.192 31.882 31.700 -0.016 0.000 0.785 159 E N -0.204 119.993 120.200 -0.005 0.000 2.474 159 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 159 E C 0.982 177.591 176.600 0.015 0.000 1.041 159 E CA 0.094 56.495 56.400 0.002 0.000 0.874 159 E CB -0.823 28.880 29.700 0.006 0.000 0.914 159 E HN -0.018 nan 8.360 nan 0.000 0.498 160 G N 1.437 110.245 108.800 0.014 0.000 2.414 160 G HA2 0.105 4.065 3.960 -0.000 0.000 0.236 160 G HA3 0.105 4.065 3.960 -0.000 0.000 0.236 160 G C -0.623 174.297 174.900 0.034 0.000 1.293 160 G CA 0.041 45.156 45.100 0.024 0.000 0.869 160 G HN 0.301 nan 8.290 nan 0.000 0.556 161 c N 3.298 121.924 118.600 0.044 0.000 2.322 161 c HA 0.786 5.356 4.570 -0.000 0.000 0.324 161 c C 0.469 174.559 174.090 -0.001 0.000 1.249 161 c CA -0.385 55.980 56.329 0.061 0.000 1.453 161 c CB -0.028 42.531 42.510 0.081 0.000 2.145 161 c HN 0.954 nan 8.230 nan 0.000 0.466 162 T N 4.496 119.013 114.554 -0.061 0.000 2.772 162 T HA 0.731 5.081 4.350 -0.000 0.000 0.288 162 T C -0.467 174.044 174.700 -0.315 0.000 0.994 162 T CA -0.580 61.352 62.100 -0.281 0.000 0.951 162 T CB 0.873 69.450 68.868 -0.484 0.000 0.933 162 T HN 0.879 nan 8.240 nan 0.000 0.447 163 R N 1.969 122.287 120.500 -0.303 0.000 2.795 163 R HA 0.528 4.868 4.340 -0.000 0.000 0.268 163 R C -0.727 175.474 176.300 -0.165 0.000 1.041 163 R CA -1.261 54.652 56.100 -0.311 0.000 0.927 163 R CB 1.119 31.184 30.300 -0.391 0.000 1.235 163 R HN 0.564 nan 8.270 nan 0.000 0.463 164 I N 0.252 120.734 120.570 -0.146 0.000 7.179 164 I HA -0.146 4.024 4.170 -0.000 0.000 0.126 164 I C -2.291 173.827 176.117 0.001 0.000 1.827 164 I CA -0.067 61.244 61.300 0.017 0.000 2.067 164 I CB -2.251 35.781 38.000 0.053 0.000 3.592 164 I HN 0.494 nan 8.210 nan 0.000 0.178 165 P HA 0.390 nan 4.420 nan 0.000 0.276 165 P C -0.161 176.904 177.300 -0.392 0.000 1.252 165 P CA -0.193 62.810 63.100 -0.161 0.000 0.802 165 P CB 2.166 33.861 31.700 -0.008 0.000 1.035 166 S N 0.865 116.365 115.700 -0.332 0.000 2.572 166 S HA 0.641 5.111 4.470 -0.000 0.000 0.274 166 S C -1.919 172.721 174.600 0.067 0.000 1.150 166 S CA -0.498 57.613 58.200 -0.148 0.000 0.944 166 S CB 0.174 63.358 63.200 -0.026 0.000 1.071 166 S HN 0.345 nan 8.310 nan 0.000 0.479 167 F N 3.627 123.616 119.950 0.065 0.000 2.557 167 F HA 0.709 5.236 4.527 -0.000 0.000 0.316 167 F C -0.583 175.340 175.800 0.204 0.000 1.141 167 F CA -0.251 57.877 58.000 0.214 0.000 0.922 167 F CB 2.031 41.199 39.000 0.280 0.000 1.194 167 F HN 0.470 nan 8.300 nan 0.000 0.443 168 S N 6.698 122.121 115.700 -0.461 0.000 2.561 168 S HA 0.781 5.251 4.470 -0.000 0.000 0.303 168 S C -2.046 172.206 174.600 -0.580 0.000 1.110 168 S CA -0.542 57.450 58.200 -0.347 0.000 1.034 168 S CB 1.167 64.289 63.200 -0.130 0.000 1.010 168 S HN 0.748 nan 8.310 nan 0.000 0.482 169 L N 4.693 125.702 121.223 -0.356 0.000 2.381 169 L HA 0.799 5.139 4.340 -0.000 0.000 0.274 169 L C -0.274 176.532 176.870 -0.106 0.000 0.988 169 L CA 0.334 55.032 54.840 -0.237 0.000 0.824 169 L CB 1.925 43.937 42.059 -0.079 0.000 1.263 169 L HN 0.720 nan 8.230 nan 0.000 0.410 170 T N 2.399 116.856 114.554 -0.162 0.000 2.864 170 T HA 0.275 4.625 4.350 -0.000 0.000 0.289 170 T C 0.757 175.415 174.700 -0.071 0.000 1.082 170 T CA -0.345 61.695 62.100 -0.099 0.000 1.009 170 T CB 1.903 70.680 68.868 -0.152 0.000 1.234 170 T HN 0.734 nan 8.240 nan 0.000 0.526 171 K N 0.138 120.534 120.400 -0.006 0.000 2.077 171 K HA -0.201 4.119 4.320 -0.000 0.000 0.213 171 K C 1.934 178.534 176.600 -0.001 0.000 1.051 171 K CA 2.733 59.033 56.287 0.021 0.000 0.929 171 K CB -0.482 32.045 32.500 0.046 0.000 0.715 171 K HN 0.724 nan 8.250 nan 0.000 0.451 172 T N -1.769 112.782 114.554 -0.006 0.000 2.937 172 T HA -0.037 4.313 4.350 -0.000 0.000 0.260 172 T C 0.878 175.603 174.700 0.041 0.000 1.051 172 T CA 0.702 62.821 62.100 0.032 0.000 1.141 172 T CB -0.263 68.668 68.868 0.106 0.000 0.879 172 T HN 0.546 nan 8.240 nan 0.000 0.459 173 H N -1.356 117.613 119.070 -0.169 0.000 2.863 173 H HA 0.399 4.955 4.556 -0.000 0.000 0.274 173 H C -1.625 173.603 175.328 -0.167 0.000 1.457 173 H CA -1.543 54.350 56.048 -0.258 0.000 1.151 173 H CB -0.249 29.275 29.762 -0.397 0.000 1.844 173 H HN 0.500 nan 8.280 nan 0.000 0.562 174 W N 0.171 121.332 121.300 -0.232 0.000 2.799 174 W HA 0.692 5.352 4.660 -0.000 0.000 0.349 174 W C -1.664 174.763 176.519 -0.153 0.000 1.100 174 W CA -1.148 55.995 57.345 -0.337 0.000 1.174 174 W CB 1.220 30.519 29.460 -0.269 0.000 1.427 174 W HN 0.512 nan 8.180 nan 0.000 0.547 175 c N 2.444 121.136 118.600 0.153 0.000 2.498 175 c HA 0.679 5.249 4.570 -0.000 0.000 0.316 175 c C -1.000 173.363 174.090 0.454 0.000 1.209 175 c CA -0.330 56.145 56.329 0.243 0.000 1.518 175 c CB 0.872 43.422 42.510 0.066 0.000 2.147 175 c HN 0.635 nan 8.230 nan 0.000 0.483 176 Y N 0.980 121.575 120.300 0.491 0.000 2.524 176 Y HA 0.755 5.305 4.550 -0.000 0.000 0.347 176 Y C -0.219 175.875 175.900 0.323 0.000 1.005 176 Y CA -0.077 58.344 58.100 0.535 0.000 1.025 176 Y CB 2.092 41.031 38.460 0.798 0.000 1.275 176 Y HN 0.701 nan 8.280 nan 0.000 0.460 177 T N 4.987 119.030 114.554 -0.852 0.000 2.885 177 T HA 0.515 4.865 4.350 -0.000 0.000 0.322 177 T C -2.091 172.271 174.700 -0.564 0.000 1.387 177 T CA -0.478 61.316 62.100 -0.510 0.000 1.041 177 T CB 0.846 69.605 68.868 -0.182 0.000 1.287 177 T HN 0.994 nan 8.240 nan 0.000 0.491 178 H N 1.607 120.604 119.070 -0.122 0.000 3.042 178 H HA 0.478 5.034 4.556 -0.000 0.000 0.346 178 H C -1.371 173.999 175.328 0.070 0.000 1.294 178 H CA -1.037 54.984 56.048 -0.044 0.000 1.141 178 H CB 1.189 30.965 29.762 0.024 0.000 1.872 178 H HN 0.528 nan 8.280 nan 0.000 0.541 179 N N 1.265 120.113 118.700 0.247 0.000 2.518 179 N HA 0.259 4.999 4.740 -0.000 0.000 0.283 179 N C -1.140 174.471 175.510 0.167 0.000 1.119 179 N CA -0.279 52.870 53.050 0.167 0.000 0.983 179 N CB 1.756 40.270 38.487 0.045 0.000 1.139 179 N HN 0.348 nan 8.380 nan 0.000 0.465 180 V N 4.946 124.978 119.914 0.197 0.000 2.483 180 V HA 0.482 4.602 4.120 -0.000 0.000 0.297 180 V C -0.046 176.115 176.094 0.111 0.000 1.027 180 V CA -0.644 61.764 62.300 0.180 0.000 0.855 180 V CB 1.384 33.422 31.823 0.357 0.000 0.995 180 V HN 0.525 nan 8.190 nan 0.000 0.424 181 I N 4.882 125.493 120.570 0.068 0.000 2.433 181 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 181 I C 0.984 177.134 176.117 0.054 0.000 1.001 181 I CA -0.564 60.764 61.300 0.048 0.000 1.119 181 I CB 2.254 40.271 38.000 0.029 0.000 1.289 181 I HN 0.515 nan 8.210 nan 0.000 0.438 182 L N 3.567 124.820 121.223 0.051 0.000 2.046 182 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 182 L C 0.785 177.675 176.870 0.034 0.000 1.077 182 L CA 1.311 56.181 54.840 0.049 0.000 0.747 182 L CB -0.375 41.711 42.059 0.045 0.000 0.896 182 L HN 0.620 nan 8.230 nan 0.000 0.432 183 N N -0.017 118.699 118.700 0.026 0.000 2.531 183 N HA 0.399 5.139 4.740 -0.000 0.000 0.268 183 N C -0.220 175.305 175.510 0.025 0.000 1.023 183 N CA 0.774 53.837 53.050 0.022 0.000 0.896 183 N CB 1.184 39.680 38.487 0.014 0.000 1.233 183 N HN 0.321 nan 8.380 nan 0.000 0.512 184 G N 1.685 110.505 108.800 0.033 0.000 2.855 184 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.352 184 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.352 184 G C 0.119 175.055 174.900 0.060 0.000 1.415 184 G CA -0.200 44.927 45.100 0.046 0.000 0.871 184 G HN 0.645 nan 8.290 nan 0.000 0.543 185 c N 0.534 119.184 118.600 0.083 0.000 2.492 185 c HA 0.574 5.144 4.570 -0.000 0.000 0.317 185 c C 0.616 174.748 174.090 0.069 0.000 1.347 185 c CA 0.112 56.491 56.329 0.084 0.000 1.759 185 c CB -1.124 41.468 42.510 0.137 0.000 2.127 185 c HN 0.683 nan 8.230 nan 0.000 0.579 186 Q N 1.526 121.361 119.800 0.059 0.000 2.274 186 Q HA 0.542 4.882 4.340 -0.000 0.000 0.268 186 Q C -1.441 174.575 176.000 0.026 0.000 1.015 186 Q CA 0.352 56.194 55.803 0.065 0.000 0.775 186 Q CB 0.920 29.707 28.738 0.082 0.000 1.256 186 Q HN 0.383 nan 8.270 nan 0.000 0.442 187 D N 1.532 121.945 120.400 0.022 0.000 2.795 187 D HA 0.092 4.732 4.640 -0.000 0.000 0.206 187 D C -0.973 175.319 176.300 -0.014 0.000 1.278 187 D CA -0.155 53.807 54.000 -0.064 0.000 0.839 187 D CB 0.824 41.592 40.800 -0.053 0.000 1.700 187 D HN 0.883 nan 8.370 nan 0.000 0.549 188 H N 1.440 120.529 119.070 0.032 0.000 2.467 188 H HA 0.415 4.971 4.556 0.000 0.000 0.275 188 H C -0.126 175.206 175.328 0.007 0.000 1.131 188 H CA -0.353 55.712 56.048 0.028 0.000 0.989 188 H CB 0.526 30.321 29.762 0.055 0.000 1.696 188 H HN 0.072 nan 8.280 nan 0.000 0.574 189 V N -0.517 119.379 119.914 -0.031 0.000 3.359 189 V HA 0.094 4.214 4.120 -0.000 0.000 0.204 189 V C 0.535 176.607 176.094 -0.036 0.000 1.410 189 V CA 0.456 62.743 62.300 -0.021 0.000 1.303 189 V CB 1.070 32.850 31.823 -0.071 0.000 1.198 189 V HN 0.328 nan 8.190 nan 0.000 0.531 190 S N 0.243 115.911 115.700 -0.052 0.000 2.542 190 S HA 0.796 5.266 4.470 -0.000 0.000 0.293 190 S C -0.788 173.786 174.600 -0.044 0.000 1.089 190 S CA 0.396 58.567 58.200 -0.047 0.000 0.961 190 S CB 1.766 64.943 63.200 -0.038 0.000 1.062 190 S HN 1.012 nan 8.310 nan 0.000 0.483 191 S N 3.174 118.843 115.700 -0.052 0.000 2.686 191 S HA 0.500 4.970 4.470 -0.000 0.000 0.273 191 S C -2.127 172.426 174.600 -0.078 0.000 1.060 191 S CA -1.044 57.132 58.200 -0.040 0.000 0.845 191 S CB 0.733 63.910 63.200 -0.038 0.000 1.086 191 S HN 0.641 nan 8.310 nan 0.000 0.461 192 N N 0.528 119.186 118.700 -0.069 0.000 2.381 192 N HA 0.636 5.376 4.740 -0.000 0.000 0.294 192 N C -1.450 174.027 175.510 -0.054 0.000 1.216 192 N CA -0.498 52.431 53.050 -0.202 0.000 0.803 192 N CB 1.781 39.958 38.487 -0.517 0.000 1.372 192 N HN 0.753 nan 8.380 nan 0.000 0.500 193 Q N 0.749 120.497 119.800 -0.086 0.000 2.309 193 Q HA 0.413 4.753 4.340 -0.000 0.000 0.270 193 Q C -1.764 174.354 176.000 0.197 0.000 1.023 193 Q CA -0.537 55.310 55.803 0.074 0.000 0.758 193 Q CB 0.874 29.602 28.738 -0.016 0.000 1.247 193 Q HN 0.504 nan 8.270 nan 0.000 0.455 194 F N 4.580 124.650 119.950 0.201 0.000 2.410 194 F HA 0.654 5.181 4.527 -0.000 0.000 0.348 194 F C -1.105 174.712 175.800 0.027 0.000 1.106 194 F CA -0.379 57.732 58.000 0.185 0.000 1.163 194 F CB 0.680 39.690 39.000 0.016 0.000 1.129 194 F HN 0.355 nan 8.300 nan 0.000 0.516 195 V N 4.939 124.457 119.914 -0.660 0.000 2.680 195 V HA 0.623 4.743 4.120 -0.000 0.000 0.309 195 V C -0.647 175.073 176.094 -0.624 0.000 1.052 195 V CA -0.656 61.384 62.300 -0.433 0.000 0.908 195 V CB 1.823 33.520 31.823 -0.211 0.000 1.001 195 V HN 0.828 nan 8.190 nan 0.000 0.431 196 S N 4.250 119.885 115.700 -0.109 0.000 2.541 196 S HA 0.906 5.376 4.470 -0.000 0.000 0.271 196 S C -1.016 173.693 174.600 0.182 0.000 1.133 196 S CA -0.670 57.600 58.200 0.115 0.000 0.876 196 S CB 1.582 65.155 63.200 0.621 0.000 1.105 196 S HN 0.857 nan 8.310 nan 0.000 0.470 197 M N 2.229 121.750 119.600 -0.131 0.000 2.520 197 M HA 0.916 5.396 4.480 -0.000 0.000 0.283 197 M C -0.326 175.342 176.300 -1.053 0.000 1.237 197 M CA -0.597 54.361 55.300 -0.569 0.000 0.885 197 M CB 1.492 33.952 32.600 -0.233 0.000 1.727 197 M HN 0.826 nan 8.290 nan 0.000 0.468 198 G N 1.655 109.372 108.800 -1.806 0.000 2.435 198 G HA2 0.629 4.589 3.960 -0.000 0.000 0.296 198 G HA3 0.629 4.589 3.960 -0.000 0.000 0.296 198 G C -1.822 172.335 174.900 -1.239 0.000 1.240 198 G CA -0.477 43.834 45.100 -1.315 0.000 0.872 198 G HN 1.275 nan 8.290 nan 0.000 0.480 199 I N -2.347 117.891 120.570 -0.552 0.000 3.322 199 I HA 0.830 5.000 4.170 -0.000 0.000 0.313 199 I C -1.116 174.929 176.117 -0.120 0.000 1.129 199 I CA -1.623 59.517 61.300 -0.266 0.000 0.963 199 I CB 2.299 40.171 38.000 -0.214 0.000 1.273 199 I HN 0.427 nan 8.210 nan 0.000 0.473 200 I N 1.602 122.007 120.570 -0.274 0.000 2.441 200 I HA 0.456 4.626 4.170 -0.000 0.000 0.295 200 I C -0.708 175.327 176.117 -0.137 0.000 0.994 200 I CA -0.291 60.670 61.300 -0.564 0.000 1.144 200 I CB 1.853 39.155 38.000 -1.163 0.000 1.314 200 I HN 0.742 nan 8.210 nan 0.000 0.445 201 E N 7.137 127.328 120.200 -0.015 0.000 2.356 201 E HA 0.550 4.900 4.350 -0.000 0.000 0.275 201 E C -2.982 173.802 176.600 0.306 0.000 0.904 201 E CA -2.190 54.357 56.400 0.245 0.000 0.757 201 E CB 2.575 32.373 29.700 0.163 0.000 1.232 201 E HN 0.159 nan 8.360 nan 0.000 0.442 202 P HA 0.036 nan 4.420 nan 0.000 0.275 202 P C -0.210 177.135 177.300 0.075 0.000 1.228 202 P CA -0.045 63.159 63.100 0.172 0.000 0.786 202 P CB 1.181 32.920 31.700 0.065 0.000 0.927 203 T N -2.238 112.299 114.554 -0.029 0.000 2.936 203 T HA 0.229 4.579 4.350 -0.000 0.000 0.282 203 T C 1.529 176.131 174.700 -0.163 0.000 1.003 203 T CA -0.190 61.828 62.100 -0.137 0.000 1.005 203 T CB 0.325 69.005 68.868 -0.314 0.000 1.097 203 T HN 0.382 nan 8.240 nan 0.000 0.532 204 S N 0.002 115.609 115.700 -0.155 0.000 2.469 204 S HA -0.031 4.439 4.470 -0.000 0.000 0.238 204 S C 2.005 176.525 174.600 -0.133 0.000 0.998 204 S CA 0.470 58.602 58.200 -0.113 0.000 0.957 204 S CB -0.931 62.218 63.200 -0.086 0.000 0.764 204 S HN 1.021 nan 8.310 nan 0.000 0.514 205 A N 0.482 123.146 122.820 -0.260 0.000 2.218 205 A HA 0.580 4.900 4.320 -0.000 0.000 0.209 205 A C 1.866 179.361 177.584 -0.148 0.000 1.168 205 A CA 0.693 52.588 52.037 -0.238 0.000 0.804 205 A CB -0.917 17.826 19.000 -0.428 0.000 0.834 205 A HN 1.431 nan 8.150 nan 0.000 0.482 206 G N -0.966 107.740 108.800 -0.157 0.000 2.279 206 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.223 206 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.223 206 G C 0.206 175.168 174.900 0.103 0.000 1.015 206 G CA 0.143 45.258 45.100 0.025 0.000 0.621 206 G HN 1.092 nan 8.290 nan 0.000 0.506 207 F N 1.058 121.058 119.950 0.084 0.000 2.370 207 F HA 0.820 5.347 4.527 0.000 0.000 0.319 207 F C -2.096 173.665 175.800 -0.066 0.000 1.129 207 F CA -3.313 54.623 58.000 -0.107 0.000 1.109 207 F CB -0.275 38.693 39.000 -0.054 0.000 1.262 207 F HN -0.035 nan 8.300 nan 0.000 0.534 208 P HA 0.094 nan 4.420 nan 0.000 0.269 208 P C -1.226 176.275 177.300 0.334 0.000 1.215 208 P CA 0.141 63.314 63.100 0.122 0.000 0.780 208 P CB 0.314 31.992 31.700 -0.038 0.000 0.898 209 F N 2.872 122.854 119.950 0.053 0.000 2.579 209 F HA 0.486 5.013 4.527 0.000 0.000 0.325 209 F C -1.707 174.126 175.800 0.055 0.000 1.162 209 F CA -1.716 56.371 58.000 0.144 0.000 0.946 209 F CB 0.513 39.572 39.000 0.098 0.000 1.211 209 F HN 0.041 nan 8.300 nan 0.000 0.447 210 F N 5.975 125.656 119.950 -0.448 0.000 2.439 210 F HA 0.368 4.895 4.527 -0.000 0.000 0.356 210 F C 0.876 176.202 175.800 -0.790 0.000 1.161 210 F CA -0.188 57.455 58.000 -0.595 0.000 1.151 210 F CB 0.363 38.773 39.000 -0.982 0.000 1.222 210 F HN 0.427 nan 8.300 nan 0.000 0.558 211 R N 2.504 122.580 120.500 -0.706 0.000 2.242 211 R HA 0.219 4.559 4.340 -0.000 0.000 0.334 211 R C -0.389 175.917 176.300 0.010 0.000 1.071 211 R CA -0.186 55.570 56.100 -0.574 0.000 0.922 211 R CB 0.373 30.452 30.300 -0.368 0.000 1.023 211 R HN 0.509 nan 8.270 nan 0.000 0.458 212 T N 6.166 120.829 114.554 0.181 0.000 2.814 212 T HA 0.142 4.492 4.350 -0.000 0.000 0.297 212 T C 1.201 175.940 174.700 0.065 0.000 0.956 212 T CA -0.112 62.107 62.100 0.197 0.000 1.123 212 T CB 0.719 69.794 68.868 0.345 0.000 0.902 212 T HN 0.569 nan 8.240 nan 0.000 0.528 213 L N 2.359 123.558 121.223 -0.039 0.000 2.731 213 L HA 0.420 4.760 4.340 -0.000 0.000 0.240 213 L C 0.820 177.720 176.870 0.050 0.000 1.120 213 L CA 0.161 55.028 54.840 0.044 0.000 0.913 213 L CB 0.260 42.378 42.059 0.098 0.000 1.213 213 L HN 0.494 nan 8.230 nan 0.000 0.515 214 K N -0.362 120.041 120.400 0.004 0.000 2.572 214 K HA 0.370 4.690 4.320 -0.000 0.000 0.263 214 K C -1.474 175.111 176.600 -0.025 0.000 0.932 214 K CA -0.290 55.980 56.287 -0.028 0.000 0.838 214 K CB 2.597 35.054 32.500 -0.071 0.000 1.366 214 K HN -0.309 nan 8.250 nan 0.000 0.425 215 T N 2.942 117.477 114.554 -0.032 0.000 2.893 215 T HA 0.716 5.066 4.350 -0.000 0.000 0.291 215 T C -1.582 173.040 174.700 -0.131 0.000 1.028 215 T CA -0.543 61.504 62.100 -0.088 0.000 0.995 215 T CB 0.929 69.840 68.868 0.072 0.000 1.051 215 T HN 0.373 nan 8.240 nan 0.000 0.470 216 L N 2.591 123.656 121.223 -0.264 0.000 2.434 216 L HA 0.566 4.906 4.340 -0.000 0.000 0.260 216 L C -1.627 175.202 176.870 -0.069 0.000 0.983 216 L CA -0.846 53.917 54.840 -0.129 0.000 0.820 216 L CB 1.984 43.968 42.059 -0.125 0.000 1.361 216 L HN 0.608 nan 8.230 nan 0.000 0.410 217 Y N 3.144 123.394 120.300 -0.083 0.000 2.402 217 Y HA 0.540 5.090 4.550 -0.000 0.000 0.325 217 Y C -1.035 174.865 175.900 -0.001 0.000 1.009 217 Y CA -1.099 57.003 58.100 0.004 0.000 1.278 217 Y CB 1.089 39.611 38.460 0.104 0.000 1.105 217 Y HN 0.416 nan 8.280 nan 0.000 0.476 218 L N 5.199 126.346 121.223 -0.127 0.000 2.433 218 L HA 0.273 4.613 4.340 -0.000 0.000 0.284 218 L C 0.342 177.008 176.870 -0.340 0.000 1.120 218 L CA 0.016 54.749 54.840 -0.179 0.000 0.879 218 L CB 0.205 42.190 42.059 -0.123 0.000 1.232 218 L HN 0.555 nan 8.230 nan 0.000 0.454 219 S N 2.638 118.154 115.700 -0.307 0.000 2.664 219 S HA 0.394 4.864 4.470 -0.000 0.000 0.262 219 S C -0.289 174.222 174.600 -0.148 0.000 1.229 219 S CA -0.696 57.316 58.200 -0.314 0.000 1.151 219 S CB 0.403 63.362 63.200 -0.402 0.000 1.054 219 S HN 0.744 nan 8.310 nan 0.000 0.483 220 D N 2.128 122.457 120.400 -0.118 0.000 2.583 220 D HA 0.217 4.857 4.640 -0.000 0.000 0.282 220 D C 1.044 177.308 176.300 -0.060 0.000 1.485 220 D CA 0.399 54.356 54.000 -0.073 0.000 0.834 220 D CB -0.359 40.404 40.800 -0.062 0.000 1.258 220 D HN 0.859 nan 8.370 nan 0.000 0.470 221 G N -0.194 108.565 108.800 -0.068 0.000 2.217 221 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 221 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 221 G C 0.074 174.940 174.900 -0.055 0.000 0.990 221 G CA 0.096 45.165 45.100 -0.052 0.000 0.627 221 G HN 0.446 nan 8.290 nan 0.000 0.522 222 V N 1.705 121.578 119.914 -0.068 0.000 2.408 222 V HA 0.385 4.505 4.120 -0.000 0.000 0.267 222 V C 0.660 176.697 176.094 -0.096 0.000 1.047 222 V CA -0.364 61.893 62.300 -0.071 0.000 0.937 222 V CB 1.354 33.136 31.823 -0.069 0.000 0.999 222 V HN 0.343 nan 8.190 nan 0.000 0.472 223 N N 5.139 123.779 118.700 -0.100 0.000 2.819 223 N HA 0.090 4.830 4.740 -0.000 0.000 0.284 223 N C 0.247 175.626 175.510 -0.219 0.000 1.196 223 N CA 0.054 53.025 53.050 -0.132 0.000 1.114 223 N CB -0.225 38.201 38.487 -0.102 0.000 1.437 223 N HN 0.521 nan 8.380 nan 0.000 0.518 224 R N 2.188 122.567 120.500 -0.201 0.000 2.296 224 R HA 0.199 4.539 4.340 -0.000 0.000 0.323 224 R C 0.033 176.162 176.300 -0.286 0.000 1.067 224 R CA 0.008 55.960 56.100 -0.247 0.000 0.946 224 R CB 0.581 30.784 30.300 -0.161 0.000 0.991 224 R HN 0.212 nan 8.270 nan 0.000 0.448 225 K N 0.368 120.478 120.400 -0.483 0.000 2.378 225 K HA 0.203 4.523 4.320 -0.000 0.000 0.244 225 K C 0.213 176.705 176.600 -0.180 0.000 1.039 225 K CA -0.914 55.144 56.287 -0.383 0.000 0.863 225 K CB 1.819 33.988 32.500 -0.552 0.000 1.326 225 K HN 0.470 nan 8.250 nan 0.000 0.460 226 S N 0.076 115.806 115.700 0.051 0.000 3.462 226 S HA -0.190 4.280 4.470 -0.000 0.000 0.370 226 S C 0.013 174.649 174.600 0.059 0.000 1.028 226 S CA 0.259 58.571 58.200 0.186 0.000 1.119 226 S CB -1.570 61.889 63.200 0.432 0.000 0.906 226 S HN 0.524 nan 8.310 nan 0.000 0.471 227 c N 2.123 120.708 118.600 -0.024 0.000 2.653 227 c HA 0.527 5.097 4.570 -0.000 0.000 0.421 227 c C 1.119 175.192 174.090 -0.029 0.000 1.334 227 c CA -0.445 55.833 56.329 -0.084 0.000 1.885 227 c CB 0.550 43.012 42.510 -0.081 0.000 2.645 227 c HN 0.656 nan 8.230 nan 0.000 0.601 228 S N 2.009 117.681 115.700 -0.047 0.000 2.503 228 S HA 0.720 5.190 4.470 -0.000 0.000 0.301 228 S C -0.565 174.131 174.600 0.160 0.000 1.087 228 S CA -0.361 57.908 58.200 0.117 0.000 1.042 228 S CB 1.141 64.499 63.200 0.263 0.000 1.043 228 S HN 0.674 nan 8.310 nan 0.000 0.489 229 I N 1.811 122.526 120.570 0.242 0.000 2.740 229 I HA 0.707 4.877 4.170 -0.000 0.000 0.303 229 I C -0.681 175.624 176.117 0.313 0.000 1.044 229 I CA -0.168 61.289 61.300 0.262 0.000 1.064 229 I CB 2.036 40.101 38.000 0.109 0.000 1.249 229 I HN 0.625 nan 8.210 nan 0.000 0.433 230 S N 3.306 119.174 115.700 0.280 0.000 2.536 230 S HA 0.464 4.934 4.470 -0.000 0.000 0.271 230 S C -0.704 173.913 174.600 0.029 0.000 1.134 230 S CA -0.404 57.861 58.200 0.108 0.000 0.897 230 S CB 1.827 65.013 63.200 -0.023 0.000 1.094 230 S HN 0.665 nan 8.310 nan 0.000 0.473 231 T N 2.961 117.480 114.554 -0.057 0.000 2.918 231 T HA 0.543 4.893 4.350 -0.000 0.000 0.302 231 T C -0.173 174.463 174.700 -0.106 0.000 1.045 231 T CA 0.142 62.159 62.100 -0.138 0.000 1.114 231 T CB 0.375 69.058 68.868 -0.307 0.000 0.965 231 T HN 1.106 nan 8.240 nan 0.000 0.540 232 V N 2.015 121.863 119.914 -0.110 0.000 3.114 232 V HA 0.662 4.782 4.120 -0.000 0.000 0.308 232 V C -3.061 172.923 176.094 -0.184 0.000 1.168 232 V CA -3.135 58.991 62.300 -0.291 0.000 1.015 232 V CB 1.563 33.236 31.823 -0.249 0.000 1.050 232 V HN 0.505 nan 8.190 nan 0.000 0.433 233 P HA 0.312 nan 4.420 nan 0.000 0.260 233 P C 0.953 178.253 177.300 -0.001 0.000 1.185 233 P CA 2.103 65.129 63.100 -0.124 0.000 0.763 233 P CB 0.495 32.097 31.700 -0.162 0.000 0.776 234 G N 2.118 110.918 108.800 -0.000 0.000 2.159 234 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.256 234 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.256 234 G C 0.445 175.381 174.900 0.060 0.000 0.977 234 G CA -0.030 45.082 45.100 0.020 0.000 0.652 234 G HN 0.970 nan 8.290 nan 0.000 0.531 235 G N -2.191 106.595 108.800 -0.024 0.000 2.441 235 G HA2 0.519 4.479 3.960 -0.000 0.000 0.225 235 G HA3 0.519 4.479 3.960 -0.000 0.000 0.225 235 G C -1.026 173.904 174.900 0.049 0.000 1.200 235 G CA 0.448 45.519 45.100 -0.048 0.000 0.947 235 G HN 1.257 nan 8.290 nan 0.000 0.484 236 c N -0.037 118.517 118.600 -0.076 0.000 2.698 236 c HA 0.846 5.416 4.570 -0.000 0.000 0.309 236 c C -0.065 173.980 174.090 -0.075 0.000 1.186 236 c CA -0.456 55.856 56.329 -0.029 0.000 1.474 236 c CB 1.090 43.600 42.510 -0.000 0.000 2.020 236 c HN 0.849 nan 8.230 nan 0.000 0.474 237 M N 3.917 123.535 119.600 0.030 0.000 2.243 237 M HA 0.657 5.137 4.480 -0.000 0.000 0.324 237 M C -1.166 175.271 176.300 0.229 0.000 1.031 237 M CA -0.308 55.053 55.300 0.102 0.000 0.949 237 M CB 1.292 34.008 32.600 0.193 0.000 1.615 237 M HN 0.926 nan 8.290 nan 0.000 0.430 238 M N 4.861 124.519 119.600 0.096 0.000 2.393 238 M HA 0.429 4.909 4.480 -0.000 0.000 0.316 238 M C -2.217 174.026 176.300 -0.095 0.000 1.087 238 M CA -0.684 54.631 55.300 0.025 0.000 0.937 238 M CB 1.816 34.409 32.600 -0.011 0.000 1.668 238 M HN 0.737 nan 8.290 nan 0.000 0.438 239 Y N 4.979 124.978 120.300 -0.501 0.000 2.328 239 Y HA 0.677 5.227 4.550 -0.000 0.000 0.336 239 Y C -1.621 174.114 175.900 -0.275 0.000 0.960 239 Y CA -1.296 56.472 58.100 -0.554 0.000 1.134 239 Y CB 0.909 38.651 38.460 -1.196 0.000 1.166 239 Y HN 0.868 nan 8.280 nan 0.000 0.464 240 c N 5.947 124.423 118.600 -0.207 0.000 3.213 240 c HA 0.760 5.330 4.570 -0.000 0.000 0.319 240 c C -0.721 173.290 174.090 -0.131 0.000 1.386 240 c CA -1.032 55.139 56.329 -0.263 0.000 1.494 240 c CB 1.281 43.692 42.510 -0.166 0.000 1.905 240 c HN 0.826 nan 8.230 nan 0.000 0.456 241 F N -0.831 118.986 119.950 -0.222 0.000 2.577 241 F HA 0.859 5.386 4.527 0.000 0.000 0.318 241 F C -1.019 174.733 175.800 -0.082 0.000 1.065 241 F CA -1.080 56.840 58.000 -0.132 0.000 0.929 241 F CB 0.806 39.710 39.000 -0.160 0.000 1.237 241 F HN 0.258 nan 8.300 nan 0.000 0.468 242 V N 2.826 122.682 119.914 -0.096 0.000 2.348 242 V HA 0.314 4.434 4.120 -0.000 0.000 0.270 242 V C 0.116 176.111 176.094 -0.165 0.000 1.037 242 V CA -0.459 61.712 62.300 -0.215 0.000 0.872 242 V CB 0.567 32.353 31.823 -0.061 0.000 1.002 242 V HN 0.903 nan 8.190 nan 0.000 0.464 243 S N 3.547 119.015 115.700 -0.387 0.000 2.545 243 S HA 0.399 4.869 4.470 -0.000 0.000 0.275 243 S C 0.955 175.569 174.600 0.024 0.000 1.299 243 S CA 0.217 58.365 58.200 -0.086 0.000 1.048 243 S CB 0.849 63.955 63.200 -0.157 0.000 0.938 243 S HN 1.017 nan 8.310 nan 0.000 0.496 244 T N 1.014 115.624 114.554 0.094 0.000 3.192 244 T HA 0.313 4.663 4.350 -0.000 0.000 0.295 244 T C -0.174 174.569 174.700 0.073 0.000 0.947 244 T CA -0.485 61.670 62.100 0.093 0.000 0.916 244 T CB -0.275 68.629 68.868 0.060 0.000 1.169 244 T HN 0.789 nan 8.240 nan 0.000 0.540 245 Q N -0.569 119.243 119.800 0.020 0.000 2.702 245 Q HA 0.530 4.870 4.340 -0.000 0.000 0.289 245 Q C -3.466 172.451 176.000 -0.138 0.000 0.923 245 Q CA -2.156 53.505 55.803 -0.237 0.000 0.787 245 Q CB 0.257 28.916 28.738 -0.132 0.000 1.476 245 Q HN -0.095 nan 8.270 nan 0.000 0.402 246 P HA -0.094 nan 4.420 nan 0.000 0.266 246 P C 0.186 177.545 177.300 0.098 0.000 1.193 246 P CA 0.332 63.443 63.100 0.019 0.000 0.770 246 P CB 0.557 32.268 31.700 0.017 0.000 0.836 247 E N 3.208 123.515 120.200 0.179 0.000 2.070 247 E HA -0.319 4.031 4.350 -0.000 0.000 0.197 247 E C 1.868 178.546 176.600 0.131 0.000 1.004 247 E CA 1.257 57.761 56.400 0.172 0.000 0.805 247 E CB -0.099 29.744 29.700 0.239 0.000 0.744 247 E HN 0.261 nan 8.360 nan 0.000 0.451 248 R N 0.165 120.775 120.500 0.183 0.000 2.105 248 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 248 R C 1.582 178.045 176.300 0.271 0.000 1.135 248 R CA 1.976 58.204 56.100 0.213 0.000 0.967 248 R CB -0.114 30.346 30.300 0.267 0.000 0.861 248 R HN 0.241 nan 8.270 nan 0.000 0.442 249 D N 0.525 121.017 120.400 0.154 0.000 2.178 249 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 249 D C 1.331 177.709 176.300 0.130 0.000 0.980 249 D CA 1.052 55.127 54.000 0.125 0.000 0.842 249 D CB -0.317 40.489 40.800 0.010 0.000 0.948 249 D HN 0.256 nan 8.370 nan 0.000 0.472 250 D N -0.412 120.024 120.400 0.060 0.000 2.144 250 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 250 D C 1.840 178.045 176.300 -0.158 0.000 0.984 250 D CA 0.779 54.731 54.000 -0.080 0.000 0.834 250 D CB -0.225 40.446 40.800 -0.215 0.000 0.955 250 D HN 0.349 nan 8.370 nan 0.000 0.465 251 Y N -0.557 119.675 120.300 -0.113 0.000 2.314 251 Y HA -0.069 4.481 4.550 -0.000 0.000 0.293 251 Y C 2.140 177.950 175.900 -0.149 0.000 1.129 251 Y CA 0.562 58.569 58.100 -0.154 0.000 1.201 251 Y CB -0.414 37.896 38.460 -0.251 0.000 0.999 251 Y HN -0.070 nan 8.280 nan 0.000 0.541 252 F N -0.083 119.916 119.950 0.082 0.000 2.234 252 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 252 F C 1.551 177.355 175.800 0.008 0.000 1.089 252 F CA 0.499 58.523 58.000 0.040 0.000 1.343 252 F CB -0.659 38.346 39.000 0.008 0.000 1.040 252 F HN -0.205 nan 8.300 nan 0.000 0.498 253 S N 0.704 116.497 115.700 0.155 0.000 2.549 253 S HA 0.365 4.835 4.470 -0.000 0.000 0.283 253 S C 1.048 175.663 174.600 0.026 0.000 1.320 253 S CA -0.272 57.971 58.200 0.072 0.000 1.058 253 S CB 1.502 64.727 63.200 0.042 0.000 0.882 253 S HN 0.266 nan 8.310 nan 0.000 0.498 254 A N 2.568 125.401 122.820 0.022 0.000 2.119 254 A HA 0.458 4.778 4.320 -0.000 0.000 0.217 254 A C 1.271 178.858 177.584 0.005 0.000 1.153 254 A CA 0.638 52.679 52.037 0.006 0.000 0.692 254 A CB -0.771 18.232 19.000 0.005 0.000 0.799 254 A HN 1.328 nan 8.150 nan 0.000 0.458 255 A N 1.298 124.121 122.820 0.005 0.000 2.301 255 A HA 0.597 4.917 4.320 -0.000 0.000 0.298 255 A C -2.402 175.177 177.584 -0.010 0.000 1.185 255 A CA -1.673 50.367 52.037 0.005 0.000 0.830 255 A CB 0.282 19.287 19.000 0.008 0.000 1.112 255 A HN 0.266 nan 8.150 nan 0.000 0.508 256 P HA 0.398 nan 4.420 nan 0.000 0.281 256 P C -2.726 174.561 177.300 -0.023 0.000 1.249 256 P CA -1.392 61.686 63.100 -0.037 0.000 0.810 256 P CB 0.139 31.829 31.700 -0.018 0.000 1.008 257 P HA 0.155 nan 4.420 nan 0.000 0.272 257 P C -0.069 177.276 177.300 0.075 0.000 1.240 257 P CA -0.139 62.998 63.100 0.062 0.000 0.791 257 P CB 0.313 32.111 31.700 0.164 0.000 0.978 258 E N 1.342 121.600 120.200 0.095 0.000 2.384 258 E HA 0.000 4.350 4.350 -0.000 0.000 0.266 258 E C -0.542 176.123 176.600 0.109 0.000 1.012 258 E CA -0.250 56.193 56.400 0.072 0.000 0.901 258 E CB 0.302 30.030 29.700 0.047 0.000 0.967 258 E HN 0.233 nan 8.360 nan 0.000 0.435 259 Q N 3.507 123.362 119.800 0.093 0.000 2.312 259 Q HA 0.465 4.805 4.340 -0.000 0.000 0.263 259 Q C -0.643 175.427 176.000 0.117 0.000 0.995 259 Q CA -0.418 55.478 55.803 0.154 0.000 0.853 259 Q CB 2.008 30.838 28.738 0.153 0.000 1.300 259 Q HN 0.514 nan 8.270 nan 0.000 0.448 260 R N 1.478 122.070 120.500 0.154 0.000 2.673 260 R HA 0.630 4.970 4.340 -0.000 0.000 0.281 260 R C -0.593 175.773 176.300 0.110 0.000 0.991 260 R CA -0.927 55.224 56.100 0.084 0.000 0.896 260 R CB 1.836 32.153 30.300 0.028 0.000 1.201 260 R HN 0.626 nan 8.270 nan 0.000 0.457 261 I N 0.358 120.948 120.570 0.034 0.000 2.466 261 I HA 0.502 4.672 4.170 -0.000 0.000 0.289 261 I C -1.291 174.822 176.117 -0.007 0.000 1.026 261 I CA -0.567 60.738 61.300 0.008 0.000 1.078 261 I CB 1.396 39.375 38.000 -0.034 0.000 1.249 261 I HN 0.430 nan 8.210 nan 0.000 0.429 262 I N 7.795 128.355 120.570 -0.017 0.000 2.378 262 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 262 I C -0.338 175.742 176.117 -0.063 0.000 0.992 262 I CA -0.296 60.981 61.300 -0.038 0.000 1.154 262 I CB 1.535 39.506 38.000 -0.047 0.000 1.315 262 I HN 0.487 nan 8.210 nan 0.000 0.448 263 I N 6.673 127.179 120.570 -0.106 0.000 2.354 263 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 263 I C -0.518 175.412 176.117 -0.311 0.000 0.989 263 I CA -0.444 60.711 61.300 -0.243 0.000 1.188 263 I CB 1.119 38.934 38.000 -0.309 0.000 1.342 263 I HN 0.423 nan 8.210 nan 0.000 0.457 264 M N 6.669 126.060 119.600 -0.347 0.000 2.046 264 M HA 0.401 4.881 4.480 -0.000 0.000 0.309 264 M C -1.207 174.913 176.300 -0.299 0.000 0.935 264 M CA -0.498 54.655 55.300 -0.245 0.000 0.915 264 M CB 1.165 33.684 32.600 -0.135 0.000 1.474 264 M HN 0.308 nan 8.290 nan 0.000 0.415 265 Y N 0.415 120.694 120.300 -0.035 0.000 2.301 265 Y HA 0.051 4.601 4.550 -0.000 0.000 0.328 265 Y C 0.979 176.861 175.900 -0.031 0.000 1.242 265 Y CA -0.068 58.013 58.100 -0.033 0.000 1.323 265 Y CB 0.399 38.836 38.460 -0.039 0.000 1.266 265 Y HN 0.549 nan 8.280 nan 0.000 0.527 266 Y N 2.427 122.733 120.300 0.011 0.000 2.483 266 Y HA -0.213 4.337 4.550 -0.000 0.000 0.291 266 Y C 1.482 177.350 175.900 -0.054 0.000 1.143 266 Y CA 1.532 59.577 58.100 -0.092 0.000 1.289 266 Y CB -0.279 38.073 38.460 -0.181 0.000 0.983 266 Y HN 0.716 nan 8.280 nan 0.000 0.556 267 N N -0.785 117.891 118.700 -0.040 0.000 2.362 267 N HA -0.011 4.729 4.740 -0.000 0.000 0.204 267 N C -0.061 175.387 175.510 -0.103 0.000 1.166 267 N CA 0.961 53.938 53.050 -0.121 0.000 0.831 267 N CB -0.494 37.957 38.487 -0.060 0.000 1.008 267 N HN 0.254 nan 8.380 nan 0.000 0.472 268 D N -2.281 118.061 120.400 -0.096 0.000 3.046 268 D HA -0.160 4.480 4.640 -0.000 0.000 0.210 268 D C -0.980 175.315 176.300 -0.009 0.000 1.124 268 D CA 1.351 55.310 54.000 -0.068 0.000 0.986 268 D CB -1.551 39.189 40.800 -0.099 0.000 1.118 268 D HN 0.374 nan 8.370 nan 0.000 0.416 269 T N 0.397 114.984 114.554 0.054 0.000 2.869 269 T HA 0.567 4.917 4.350 -0.000 0.000 0.295 269 T C 0.590 175.361 174.700 0.118 0.000 0.987 269 T CA -0.009 62.143 62.100 0.087 0.000 1.109 269 T CB 0.912 69.849 68.868 0.115 0.000 0.932 269 T HN 0.081 nan 8.240 nan 0.000 0.518 270 I N 2.957 123.564 120.570 0.061 0.000 2.499 270 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 270 I C -0.888 175.245 176.117 0.026 0.000 1.048 270 I CA -1.013 60.299 61.300 0.020 0.000 1.062 270 I CB 2.165 40.156 38.000 -0.015 0.000 1.238 270 I HN 0.248 nan 8.210 nan 0.000 0.426 271 V N 5.261 125.185 119.914 0.016 0.000 2.409 271 V HA 0.350 4.470 4.120 -0.000 0.000 0.290 271 V C -0.360 175.729 176.094 -0.008 0.000 1.017 271 V CA -0.572 61.740 62.300 0.020 0.000 0.841 271 V CB 1.760 33.620 31.823 0.061 0.000 1.003 271 V HN 0.758 nan 8.190 nan 0.000 0.426 272 E N 5.082 125.276 120.200 -0.010 0.000 2.179 272 E HA 0.675 5.025 4.350 -0.000 0.000 0.275 272 E C -0.935 175.659 176.600 -0.009 0.000 0.945 272 E CA -0.861 55.530 56.400 -0.016 0.000 0.792 272 E CB 1.273 30.960 29.700 -0.022 0.000 1.125 272 E HN 0.493 nan 8.360 nan 0.000 0.397 273 R N 3.761 124.256 120.500 -0.008 0.000 2.686 273 R HA 0.457 4.797 4.340 -0.000 0.000 0.283 273 R C -0.666 175.632 176.300 -0.003 0.000 0.978 273 R CA -0.813 55.283 56.100 -0.006 0.000 0.897 273 R CB 1.365 31.661 30.300 -0.007 0.000 1.192 273 R HN 0.651 nan 8.270 nan 0.000 0.457 274 I N 4.794 125.363 120.570 -0.002 0.000 2.325 274 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 274 I C 0.857 176.972 176.117 -0.003 0.000 1.019 274 I CA -0.459 60.843 61.300 0.003 0.000 1.302 274 I CB 0.680 38.682 38.000 0.003 0.000 1.401 274 I HN 0.447 nan 8.210 nan 0.000 0.485 275 I N 4.362 124.929 120.570 -0.006 0.000 2.525 275 I HA 0.515 4.685 4.170 -0.000 0.000 0.301 275 I C -0.491 175.613 176.117 -0.022 0.000 0.992 275 I CA -0.627 60.659 61.300 -0.023 0.000 1.162 275 I CB 1.642 39.609 38.000 -0.055 0.000 1.332 275 I HN 0.443 nan 8.210 nan 0.000 0.458 276 N N 5.208 123.893 118.700 -0.025 0.000 2.750 276 N HA 0.339 5.079 4.740 -0.000 0.000 0.253 276 N C -2.721 172.772 175.510 -0.028 0.000 1.408 276 N CA -0.818 52.218 53.050 -0.023 0.000 0.780 276 N CB 1.437 39.918 38.487 -0.010 0.000 1.191 276 N HN 0.538 nan 8.380 nan 0.000 0.511 277 P HA 0.286 nan 4.420 nan 0.000 0.271 277 P C -2.654 174.627 177.300 -0.031 0.000 1.218 277 P CA -0.956 62.115 63.100 -0.047 0.000 0.780 277 P CB 0.294 31.942 31.700 -0.088 0.000 0.901 278 P HA 0.122 nan 4.420 nan 0.000 0.270 278 P C 0.909 178.220 177.300 0.019 0.000 1.223 278 P CA 0.826 63.929 63.100 0.006 0.000 0.785 278 P CB -0.016 31.690 31.700 0.011 0.000 0.923 279 G N -0.006 108.825 108.800 0.050 0.000 2.153 279 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 279 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 279 G C 0.606 175.616 174.900 0.184 0.000 0.994 279 G CA 0.285 45.449 45.100 0.107 0.000 0.698 279 G HN 0.398 nan 8.290 nan 0.000 0.521 280 V N -0.470 119.508 119.914 0.105 0.000 2.743 280 V HA 0.363 4.483 4.120 -0.000 0.000 0.237 280 V C 1.439 177.624 176.094 0.151 0.000 1.113 280 V CA 0.862 63.227 62.300 0.109 0.000 1.141 280 V CB -0.150 31.629 31.823 -0.074 0.000 0.873 280 V HN 0.418 nan 8.190 nan 0.000 0.486 281 L N 1.974 123.244 121.223 0.078 0.000 2.513 281 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 281 L C 0.576 177.490 176.870 0.073 0.000 1.187 281 L CA 0.704 55.582 54.840 0.063 0.000 0.895 281 L CB -0.666 41.414 42.059 0.035 0.000 1.147 281 L HN 0.450 nan 8.230 nan 0.000 0.483 282 D N 2.161 122.599 120.400 0.063 0.000 3.077 282 D HA -0.195 4.445 4.640 -0.000 0.000 0.212 282 D C 0.724 177.056 176.300 0.053 0.000 1.125 282 D CA 1.114 55.140 54.000 0.044 0.000 0.970 282 D CB -1.170 39.646 40.800 0.027 0.000 1.110 282 D HN 0.422 nan 8.370 nan 0.000 0.419 283 V N -2.174 117.806 119.914 0.110 0.000 3.102 283 V HA 0.135 4.255 4.120 -0.000 0.000 0.225 283 V C 0.200 176.322 176.094 0.048 0.000 1.301 283 V CA 0.283 62.639 62.300 0.093 0.000 1.308 283 V CB 0.329 32.272 31.823 0.199 0.000 1.129 283 V HN 0.064 nan 8.190 nan 0.000 0.502 284 W N 0.255 121.551 121.300 -0.006 0.000 2.349 284 W HA 0.692 5.352 4.660 0.000 0.000 0.309 284 W C 1.031 177.503 176.519 -0.079 0.000 1.083 284 W CA 0.114 57.440 57.345 -0.032 0.000 1.224 284 W CB 1.196 30.625 29.460 -0.052 0.000 1.256 284 W HN 0.140 nan 8.180 nan 0.000 0.461 285 A N 2.396 125.258 122.820 0.069 0.000 1.968 285 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 285 A C 0.711 178.216 177.584 -0.132 0.000 1.169 285 A CA 1.287 53.303 52.037 -0.034 0.000 0.638 285 A CB -0.314 18.645 19.000 -0.068 0.000 0.812 285 A HN 0.474 nan 8.150 nan 0.000 0.446 286 T N -1.913 112.529 114.554 -0.186 0.000 2.868 286 T HA 0.581 4.931 4.350 -0.000 0.000 0.306 286 T C -1.422 173.157 174.700 -0.202 0.000 1.224 286 T CA -0.492 61.392 62.100 -0.361 0.000 1.012 286 T CB 1.746 70.110 68.868 -0.839 0.000 1.221 286 T HN 0.427 nan 8.240 nan 0.000 0.499 287 L N 2.025 123.032 121.223 -0.362 0.000 2.543 287 L HA 0.722 5.062 4.340 -0.000 0.000 0.265 287 L C -2.020 174.542 176.870 -0.512 0.000 0.945 287 L CA -0.399 54.225 54.840 -0.360 0.000 0.869 287 L CB 1.950 43.795 42.059 -0.356 0.000 1.294 287 L HN 0.667 nan 8.230 nan 0.000 0.405 288 N N 4.358 122.749 118.700 -0.515 0.000 2.262 288 N HA 0.690 5.430 4.740 -0.000 0.000 0.295 288 N C -2.889 172.528 175.510 -0.154 0.000 1.161 288 N CA -1.778 50.981 53.050 -0.486 0.000 0.767 288 N CB 2.340 40.447 38.487 -0.633 0.000 1.499 288 N HN 0.296 nan 8.380 nan 0.000 0.476 289 P HA 0.214 nan 4.420 nan 0.000 0.277 289 P C 0.672 178.126 177.300 0.257 0.000 1.240 289 P CA -0.268 62.760 63.100 -0.120 0.000 0.798 289 P CB 0.674 32.032 31.700 -0.571 0.000 0.979 290 G N 0.494 109.516 108.800 0.371 0.000 2.776 290 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.209 290 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.209 290 G C 0.798 175.875 174.900 0.295 0.000 1.145 290 G CA 1.066 46.397 45.100 0.385 0.000 0.791 290 G HN 0.719 nan 8.290 nan 0.000 0.530 291 T N -4.145 110.553 114.554 0.241 0.000 10.376 291 T HA -0.224 4.126 4.350 -0.000 0.000 0.366 291 T C 1.391 176.222 174.700 0.218 0.000 1.790 291 T CA 1.663 63.864 62.100 0.169 0.000 2.837 291 T CB -1.880 67.059 68.868 0.118 0.000 2.485 291 T HN 1.499 nan 8.240 nan 0.000 0.947 292 G N 1.869 110.858 108.800 0.315 0.000 2.569 292 G HA2 0.477 4.437 3.960 -0.000 0.000 0.249 292 G HA3 0.477 4.437 3.960 -0.000 0.000 0.249 292 G C 0.278 175.382 174.900 0.339 0.000 1.216 292 G CA 0.212 45.560 45.100 0.413 0.000 0.845 292 G HN 1.694 nan 8.290 nan 0.000 0.568 293 S N -0.064 115.805 115.700 0.281 0.000 2.566 293 S HA 0.469 4.939 4.470 -0.000 0.000 0.280 293 S C 0.806 175.526 174.600 0.200 0.000 1.343 293 S CA 0.042 58.370 58.200 0.214 0.000 1.036 293 S CB 1.091 64.362 63.200 0.120 0.000 0.866 293 S HN 1.069 nan 8.310 nan 0.000 0.526 294 G N -0.006 108.912 108.800 0.197 0.000 2.557 294 G HA2 0.680 4.640 3.960 -0.000 0.000 0.302 294 G HA3 0.680 4.640 3.960 -0.000 0.000 0.302 294 G C -0.402 174.444 174.900 -0.090 0.000 1.311 294 G CA -0.420 44.664 45.100 -0.027 0.000 1.030 294 G HN 1.758 nan 8.290 nan 0.000 0.509 295 V N -3.291 116.537 119.914 -0.145 0.000 3.049 295 V HA 0.637 4.757 4.120 -0.000 0.000 0.309 295 V C -1.491 174.637 176.094 0.057 0.000 1.148 295 V CA -1.390 60.901 62.300 -0.015 0.000 0.990 295 V CB 1.597 33.439 31.823 0.031 0.000 1.039 295 V HN 0.751 nan 8.190 nan 0.000 0.430 296 Y N 4.069 124.369 120.300 0.001 0.000 2.383 296 Y HA 0.705 5.255 4.550 0.000 0.000 0.344 296 Y C -1.183 174.823 175.900 0.177 0.000 0.986 296 Y CA -1.260 56.873 58.100 0.056 0.000 1.175 296 Y CB 1.031 39.506 38.460 0.025 0.000 1.152 296 Y HN 0.835 nan 8.280 nan 0.000 0.511 297 Y N 6.748 126.880 120.300 -0.281 0.000 2.346 297 Y HA 0.393 4.943 4.550 -0.000 0.000 0.332 297 Y C -0.188 175.587 175.900 -0.209 0.000 0.985 297 Y CA -1.575 56.399 58.100 -0.210 0.000 1.112 297 Y CB 0.789 39.237 38.460 -0.020 0.000 1.170 297 Y HN 0.671 nan 8.280 nan 0.000 0.447 298 L N 6.572 127.374 121.223 -0.701 0.000 3.833 298 L HA -0.350 3.990 4.340 -0.000 0.000 0.447 298 L C 1.145 177.890 176.870 -0.209 0.000 1.213 298 L CA 1.305 55.819 54.840 -0.542 0.000 0.801 298 L CB -1.554 40.051 42.059 -0.757 0.000 1.676 298 L HN 1.198 nan 8.230 nan 0.000 0.883 299 G N -2.914 105.635 108.800 -0.418 0.000 2.179 299 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 299 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 299 G C -0.256 174.648 174.900 0.006 0.000 0.977 299 G CA 0.251 45.281 45.100 -0.117 0.000 0.641 299 G HN 0.385 nan 8.290 nan 0.000 0.533 300 W N -0.619 120.632 121.300 -0.080 0.000 2.689 300 W HA 0.673 5.333 4.660 0.000 0.000 0.340 300 W C -0.052 176.526 176.519 0.098 0.000 1.060 300 W CA -0.951 56.442 57.345 0.079 0.000 1.218 300 W CB 1.821 31.353 29.460 0.120 0.000 1.410 300 W HN 0.152 nan 8.180 nan 0.000 0.528 301 V N 4.494 124.589 119.914 0.303 0.000 2.370 301 V HA 0.406 4.526 4.120 -0.000 0.000 0.279 301 V C -0.139 175.907 176.094 -0.080 0.000 1.029 301 V CA -0.912 61.435 62.300 0.079 0.000 0.870 301 V CB 0.455 32.272 31.823 -0.010 0.000 0.984 301 V HN 0.318 nan 8.190 nan 0.000 0.451 302 L N 5.495 126.604 121.223 -0.191 0.000 2.307 302 L HA 0.660 5.000 4.340 -0.000 0.000 0.284 302 L C -0.912 175.757 176.870 -0.335 0.000 1.023 302 L CA -0.196 54.549 54.840 -0.158 0.000 0.810 302 L CB 1.264 43.289 42.059 -0.057 0.000 1.231 302 L HN 0.427 nan 8.230 nan 0.000 0.423 303 F N 2.828 122.852 119.950 0.122 0.000 2.551 303 F HA 0.552 5.079 4.527 -0.000 0.000 0.316 303 F C -2.174 173.755 175.800 0.215 0.000 1.089 303 F CA -2.361 55.761 58.000 0.204 0.000 0.915 303 F CB 1.924 41.112 39.000 0.314 0.000 1.186 303 F HN 0.257 nan 8.300 nan 0.000 0.456 304 P HA 0.428 nan 4.420 nan 0.000 0.279 304 P C -0.963 176.607 177.300 0.450 0.000 1.239 304 P CA -0.040 63.334 63.100 0.456 0.000 0.789 304 P CB 1.664 33.716 31.700 0.587 0.000 0.933 305 I N 0.464 121.267 120.570 0.388 0.000 3.174 305 I HA 0.808 4.978 4.170 -0.000 0.000 0.313 305 I C -1.381 175.032 176.117 0.493 0.000 1.155 305 I CA -1.499 60.023 61.300 0.370 0.000 0.977 305 I CB 2.409 40.509 38.000 0.166 0.000 1.248 305 I HN 0.404 nan 8.210 nan 0.000 0.453 306 Y N 0.750 121.175 120.300 0.208 0.000 2.702 306 Y HA 0.925 5.475 4.550 -0.000 0.000 0.336 306 Y C -0.567 175.540 175.900 0.346 0.000 1.203 306 Y CA -0.373 57.925 58.100 0.330 0.000 1.072 306 Y CB 0.847 39.487 38.460 0.300 0.000 1.327 306 Y HN 1.166 nan 8.280 nan 0.000 0.456 307 G N -0.457 108.579 108.800 0.394 0.000 2.356 307 G HA2 0.520 4.480 3.960 -0.000 0.000 0.281 307 G HA3 0.520 4.480 3.960 -0.000 0.000 0.281 307 G C -1.383 173.734 174.900 0.361 0.000 1.246 307 G CA -0.255 44.972 45.100 0.213 0.000 0.889 307 G HN 1.456 nan 8.290 nan 0.000 0.486 308 G N -0.841 108.074 108.800 0.191 0.000 2.530 308 G HA2 0.663 4.623 3.960 -0.000 0.000 0.316 308 G HA3 0.663 4.623 3.960 -0.000 0.000 0.316 308 G C -0.828 174.059 174.900 -0.022 0.000 1.298 308 G CA -0.337 44.884 45.100 0.203 0.000 0.948 308 G HN 0.960 nan 8.290 nan 0.000 0.486 309 V N 3.276 123.119 119.914 -0.118 0.000 2.617 309 V HA 0.371 4.491 4.120 -0.000 0.000 0.298 309 V C 0.480 176.627 176.094 0.089 0.000 1.048 309 V CA -0.645 61.524 62.300 -0.217 0.000 0.964 309 V CB 1.649 33.253 31.823 -0.365 0.000 1.004 309 V HN 0.606 nan 8.190 nan 0.000 0.466 310 I N 3.575 124.154 120.570 0.015 0.000 2.474 310 I HA 0.214 4.384 4.170 -0.000 0.000 0.287 310 I C 0.736 176.756 176.117 -0.163 0.000 1.048 310 I CA -0.122 61.160 61.300 -0.031 0.000 1.383 310 I CB 0.572 38.531 38.000 -0.068 0.000 1.412 310 I HN 0.612 nan 8.210 nan 0.000 0.531 311 K N 4.706 124.755 120.400 -0.584 0.000 2.489 311 K HA 0.104 4.424 4.320 -0.000 0.000 0.278 311 K C 0.990 177.029 176.600 -0.934 0.000 1.000 311 K CA 1.019 56.337 56.287 -1.615 0.000 1.012 311 K CB 0.323 31.956 32.500 -1.446 0.000 0.903 311 K HN 0.937 nan 8.250 nan 0.000 0.485 312 G N 2.248 110.433 108.800 -1.025 0.000 2.195 312 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 312 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 312 G C 0.206 175.010 174.900 -0.161 0.000 0.984 312 G CA 0.478 45.332 45.100 -0.411 0.000 0.633 312 G HN 0.874 nan 8.290 nan 0.000 0.525 313 T N -1.059 113.437 114.554 -0.096 0.000 2.828 313 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 313 T C 1.588 176.340 174.700 0.087 0.000 1.019 313 T CA 0.729 62.835 62.100 0.011 0.000 1.031 313 T CB 1.563 70.444 68.868 0.021 0.000 1.001 313 T HN 0.309 nan 8.240 nan 0.000 0.531 314 S N 0.496 116.233 115.700 0.062 0.000 2.359 314 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 314 S C 1.868 176.518 174.600 0.083 0.000 1.035 314 S CA 1.162 59.403 58.200 0.067 0.000 1.018 314 S CB -0.692 62.534 63.200 0.043 0.000 0.876 314 S HN 0.650 nan 8.310 nan 0.000 0.448 315 L N 1.955 123.220 121.223 0.069 0.000 2.012 315 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 315 L C 2.061 178.978 176.870 0.080 0.000 1.073 315 L CA 1.827 56.690 54.840 0.038 0.000 0.748 315 L CB -1.042 41.000 42.059 -0.029 0.000 0.891 315 L HN 0.571 nan 8.230 nan 0.000 0.431 316 W N 0.808 122.070 121.300 -0.062 0.000 2.335 316 W HA -0.273 4.387 4.660 -0.000 0.000 0.311 316 W C 2.215 178.744 176.519 0.017 0.000 1.213 316 W CA 2.022 59.361 57.345 -0.010 0.000 1.274 316 W CB -0.654 28.810 29.460 0.008 0.000 1.148 316 W HN 0.360 nan 8.180 nan 0.000 0.498 317 N N 0.757 119.691 118.700 0.390 0.000 2.120 317 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 317 N C 1.209 176.772 175.510 0.089 0.000 1.024 317 N CA 1.661 54.863 53.050 0.253 0.000 0.852 317 N CB -1.154 37.444 38.487 0.185 0.000 1.003 317 N HN 0.235 nan 8.380 nan 0.000 0.424 318 N N 0.815 119.547 118.700 0.053 0.000 2.453 318 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 318 N C 1.331 176.814 175.510 -0.044 0.000 1.041 318 N CA 0.624 53.675 53.050 0.003 0.000 0.900 318 N CB 0.028 38.513 38.487 -0.003 0.000 0.961 318 N HN 0.341 nan 8.380 nan 0.000 0.443 319 Q N 0.299 120.053 119.800 -0.076 0.000 2.352 319 Q HA 0.329 4.669 4.340 -0.000 0.000 0.212 319 Q C -0.138 175.754 176.000 -0.180 0.000 0.888 319 Q CA -0.202 55.506 55.803 -0.158 0.000 0.934 319 Q CB 0.313 28.922 28.738 -0.214 0.000 1.093 319 Q HN 0.239 nan 8.270 nan 0.000 0.523 320 A N 1.288 124.030 122.820 -0.129 0.000 2.567 320 A HA 0.000 4.320 4.320 -0.000 0.000 0.240 320 A C 0.424 177.988 177.584 -0.033 0.000 1.053 320 A CA 0.845 52.832 52.037 -0.084 0.000 0.755 320 A CB -0.348 18.650 19.000 -0.002 0.000 0.978 320 A HN 0.682 nan 8.150 nan 0.000 0.507 321 N N -0.556 118.149 118.700 0.008 0.000 2.909 321 N HA -0.148 4.592 4.740 -0.000 0.000 0.242 321 N C -0.253 175.309 175.510 0.088 0.000 0.975 321 N CA 1.496 54.583 53.050 0.061 0.000 0.921 321 N CB -0.676 37.845 38.487 0.056 0.000 1.112 321 N HN 0.829 nan 8.380 nan 0.000 0.581 322 K N 0.199 120.575 120.400 -0.040 0.000 2.098 322 K HA 0.429 4.749 4.320 -0.000 0.000 0.261 322 K C -0.450 176.065 176.600 -0.142 0.000 0.987 322 K CA -0.174 56.036 56.287 -0.130 0.000 0.916 322 K CB 0.921 33.280 32.500 -0.235 0.000 1.039 322 K HN 0.255 nan 8.250 nan 0.000 0.455 323 Y N -1.047 119.174 120.300 -0.133 0.000 2.677 323 Y HA 0.588 5.138 4.550 -0.000 0.000 0.334 323 Y C -1.950 174.107 175.900 0.262 0.000 1.196 323 Y CA -1.601 56.517 58.100 0.031 0.000 1.059 323 Y CB 0.862 39.412 38.460 0.150 0.000 1.315 323 Y HN 0.444 nan 8.280 nan 0.000 0.455 324 F N 3.154 123.316 119.950 0.354 0.000 2.547 324 F HA 0.797 5.324 4.527 -0.000 0.000 0.316 324 F C -1.795 174.228 175.800 0.372 0.000 1.121 324 F CA -1.897 56.228 58.000 0.208 0.000 0.911 324 F CB 1.453 40.552 39.000 0.164 0.000 1.179 324 F HN 0.554 nan 8.300 nan 0.000 0.443 325 I N 7.303 127.561 120.570 -0.519 0.000 2.439 325 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 325 I C -2.382 173.202 176.117 -0.888 0.000 1.021 325 I CA -2.031 59.044 61.300 -0.374 0.000 1.091 325 I CB 1.897 39.867 38.000 -0.050 0.000 1.242 325 I HN 0.419 nan 8.210 nan 0.000 0.439 326 P HA -0.017 nan 4.420 nan 0.000 0.262 326 P C 0.585 177.588 177.300 -0.495 0.000 1.182 326 P CA 0.142 62.775 63.100 -0.778 0.000 0.761 326 P CB 0.614 31.712 31.700 -1.004 0.000 0.795 327 Q N 2.624 122.256 119.800 -0.280 0.000 2.242 327 Q HA -0.223 4.117 4.340 -0.000 0.000 0.211 327 Q C 1.069 176.989 176.000 -0.133 0.000 0.992 327 Q CA 1.738 57.454 55.803 -0.146 0.000 0.889 327 Q CB -0.182 28.532 28.738 -0.041 0.000 0.913 327 Q HN 0.512 nan 8.270 nan 0.000 0.422 328 M N -0.925 118.581 119.600 -0.156 0.000 2.453 328 M HA 0.014 4.494 4.480 -0.000 0.000 0.239 328 M C 1.159 177.393 176.300 -0.110 0.000 1.151 328 M CA -0.256 55.000 55.300 -0.073 0.000 0.989 328 M CB 0.850 33.479 32.600 0.047 0.000 1.548 328 M HN 0.028 nan 8.290 nan 0.000 0.479 329 V N 0.050 119.787 119.914 -0.295 0.000 2.407 329 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 329 V C 2.568 178.618 176.094 -0.073 0.000 1.041 329 V CA 1.918 64.064 62.300 -0.257 0.000 1.040 329 V CB -0.840 30.782 31.823 -0.336 0.000 0.671 329 V HN 0.552 nan 8.190 nan 0.000 0.455 330 A N 0.654 123.424 122.820 -0.085 0.000 1.881 330 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 330 A C 2.379 179.954 177.584 -0.015 0.000 1.215 330 A CA 2.715 54.722 52.037 -0.049 0.000 0.648 330 A CB -1.087 17.884 19.000 -0.048 0.000 0.832 330 A HN 0.646 nan 8.150 nan 0.000 0.455 331 A N -1.448 121.371 122.820 -0.003 0.000 2.125 331 A HA 0.149 4.469 4.320 -0.000 0.000 0.219 331 A C 1.917 179.524 177.584 0.038 0.000 1.156 331 A CA 1.471 53.517 52.037 0.016 0.000 0.671 331 A CB -0.396 18.615 19.000 0.019 0.000 0.794 331 A HN 0.507 nan 8.150 nan 0.000 0.459 332 L N -2.148 119.113 121.223 0.064 0.000 2.672 332 L HA 0.178 4.518 4.340 -0.000 0.000 0.236 332 L C 0.753 177.682 176.870 0.097 0.000 1.092 332 L CA -0.389 54.512 54.840 0.102 0.000 0.887 332 L CB 0.439 42.614 42.059 0.192 0.000 1.168 332 L HN 0.375 nan 8.230 nan 0.000 0.502 333 C N 0.398 119.738 119.300 0.066 0.000 2.388 333 C HA 0.281 4.741 4.460 -0.000 0.000 0.362 333 C C 2.053 177.047 174.990 0.007 0.000 1.266 333 C CA -0.143 58.900 59.018 0.041 0.000 2.028 333 C CB 0.973 28.713 27.740 -0.001 0.000 2.440 333 C HN 0.513 nan 8.230 nan 0.000 0.547 334 S N 3.687 119.389 115.700 0.003 0.000 2.527 334 S HA 0.037 4.507 4.470 -0.000 0.000 0.222 334 S C 0.481 175.066 174.600 -0.025 0.000 0.985 334 S CA 0.192 58.387 58.200 -0.007 0.000 0.921 334 S CB -0.201 62.998 63.200 -0.002 0.000 0.772 334 S HN 0.910 nan 8.310 nan 0.000 0.529 335 Q N 2.329 122.103 119.800 -0.043 0.000 2.368 335 Q HA 0.323 4.663 4.340 -0.000 0.000 0.237 335 Q C -0.260 175.701 176.000 -0.064 0.000 0.987 335 Q CA -0.607 55.159 55.803 -0.062 0.000 0.896 335 Q CB 0.340 29.022 28.738 -0.093 0.000 1.241 335 Q HN 0.646 nan 8.270 nan 0.000 0.485 336 N N 0.085 118.747 118.700 -0.063 0.000 2.445 336 N HA -0.060 4.680 4.740 -0.000 0.000 0.264 336 N C 0.477 175.940 175.510 -0.078 0.000 1.227 336 N CA -0.304 52.711 53.050 -0.059 0.000 0.963 336 N CB 0.597 39.056 38.487 -0.048 0.000 1.188 336 N HN 0.452 nan 8.380 nan 0.000 0.491 337 Q N 0.626 120.386 119.800 -0.067 0.000 2.077 337 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 337 Q C 1.848 177.789 176.000 -0.099 0.000 0.989 337 Q CA 2.622 58.379 55.803 -0.076 0.000 0.853 337 Q CB -0.937 27.772 28.738 -0.049 0.000 0.907 337 Q HN 0.823 nan 8.270 nan 0.000 0.418 338 A N -1.234 121.536 122.820 -0.083 0.000 1.933 338 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 338 A C 2.280 179.792 177.584 -0.120 0.000 1.175 338 A CA 1.977 53.958 52.037 -0.093 0.000 0.628 338 A CB -0.863 18.098 19.000 -0.065 0.000 0.814 338 A HN 0.466 nan 8.150 nan 0.000 0.444 339 T N -0.160 114.326 114.554 -0.112 0.000 2.857 339 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 339 T C 2.069 176.664 174.700 -0.175 0.000 1.048 339 T CA 1.545 63.571 62.100 -0.122 0.000 1.139 339 T CB -0.199 68.609 68.868 -0.100 0.000 0.874 339 T HN 0.606 nan 8.240 nan 0.000 0.455 340 Q N 0.334 120.015 119.800 -0.198 0.000 2.050 340 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 340 Q C 2.566 178.368 176.000 -0.330 0.000 0.980 340 Q CA 1.171 56.807 55.803 -0.278 0.000 0.840 340 Q CB -0.409 28.180 28.738 -0.247 0.000 0.898 340 Q HN 0.325 nan 8.270 nan 0.000 0.424 341 V N 1.194 120.905 119.914 -0.337 0.000 2.332 341 V HA -0.327 3.792 4.120 -0.000 0.000 0.248 341 V C 2.363 178.177 176.094 -0.468 0.000 1.055 341 V CA 2.243 64.201 62.300 -0.570 0.000 1.038 341 V CB -0.676 30.846 31.823 -0.502 0.000 0.651 341 V HN 0.444 nan 8.190 nan 0.000 0.450 342 Q N 0.010 119.646 119.800 -0.273 0.000 2.050 342 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 342 Q C 2.126 178.050 176.000 -0.126 0.000 0.980 342 Q CA 1.931 57.633 55.803 -0.167 0.000 0.840 342 Q CB -0.114 28.555 28.738 -0.114 0.000 0.898 342 Q HN 0.649 nan 8.270 nan 0.000 0.424 343 N N 0.309 118.910 118.700 -0.165 0.000 2.216 343 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 343 N C 1.615 177.046 175.510 -0.132 0.000 1.017 343 N CA 1.195 54.158 53.050 -0.144 0.000 0.861 343 N CB -0.308 38.045 38.487 -0.224 0.000 0.986 343 N HN 0.353 nan 8.380 nan 0.000 0.428 344 A N 1.804 124.505 122.820 -0.198 0.000 1.902 344 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 344 A C 2.127 179.888 177.584 0.294 0.000 1.181 344 A CA 1.285 53.327 52.037 0.008 0.000 0.623 344 A CB -0.354 18.676 19.000 0.051 0.000 0.818 344 A HN 0.230 nan 8.150 nan 0.000 0.443 345 K N 0.400 120.895 120.400 0.158 0.000 2.103 345 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 345 K C 2.241 179.082 176.600 0.401 0.000 1.048 345 K CA 1.665 58.119 56.287 0.278 0.000 0.930 345 K CB -0.229 32.346 32.500 0.124 0.000 0.716 345 K HN 0.669 nan 8.250 nan 0.000 0.444 346 S N 0.506 116.389 115.700 0.305 0.000 2.489 346 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 346 S C 1.869 176.742 174.600 0.455 0.000 0.995 346 S CA 0.942 59.373 58.200 0.386 0.000 0.934 346 S CB -0.131 63.206 63.200 0.227 0.000 0.771 346 S HN 0.268 nan 8.310 nan 0.000 0.522 347 S N 0.061 115.966 115.700 0.341 0.000 2.555 347 S HA 0.032 4.502 4.470 -0.000 0.000 0.230 347 S C 0.983 175.571 174.600 -0.022 0.000 0.978 347 S CA 0.063 58.380 58.200 0.196 0.000 0.934 347 S CB -0.863 62.414 63.200 0.130 0.000 0.766 347 S HN 0.639 nan 8.310 nan 0.000 0.533 348 Y N 0.326 120.636 120.300 0.017 0.000 2.466 348 Y HA 0.397 4.947 4.550 -0.000 0.000 0.272 348 Y C -0.206 175.464 175.900 -0.383 0.000 1.169 348 Y CA -0.856 57.090 58.100 -0.256 0.000 1.285 348 Y CB -0.162 37.997 38.460 -0.502 0.000 1.078 348 Y HN 0.263 nan 8.280 nan 0.000 0.523 349 Y N -0.940 119.588 120.300 0.381 0.000 2.376 349 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 349 Y C 0.014 176.167 175.900 0.421 0.000 0.965 349 Y CA -1.506 56.784 58.100 0.318 0.000 1.078 349 Y CB 1.961 40.533 38.460 0.186 0.000 1.193 349 Y HN -0.313 nan 8.280 nan 0.000 0.452 350 S N 1.165 117.156 115.700 0.485 0.000 2.530 350 S HA 0.271 4.741 4.470 -0.000 0.000 0.322 350 S C 0.785 175.458 174.600 0.121 0.000 1.085 350 S CA -0.220 58.151 58.200 0.285 0.000 1.096 350 S CB 0.545 64.071 63.200 0.544 0.000 0.988 350 S HN 0.788 nan 8.310 nan 0.000 0.466 351 S N 5.280 120.947 115.700 -0.055 0.000 2.436 351 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 351 S C 1.574 176.264 174.600 0.149 0.000 1.014 351 S CA -0.064 58.158 58.200 0.037 0.000 0.950 351 S CB -0.528 62.672 63.200 -0.000 0.000 0.784 351 S HN 0.917 nan 8.310 nan 0.000 0.504 352 W N 1.285 122.573 121.300 -0.020 0.000 2.402 352 W HA 0.121 4.781 4.660 -0.000 0.000 0.286 352 W C -0.543 176.147 176.519 0.284 0.000 1.221 352 W CA 0.346 57.742 57.345 0.085 0.000 1.257 352 W CB 0.004 29.421 29.460 -0.073 0.000 1.120 352 W HN 0.209 nan 8.180 nan 0.000 0.551 353 F N 1.724 121.708 119.950 0.056 0.000 2.508 353 F HA 0.348 4.875 4.527 -0.000 0.000 0.329 353 F C 1.368 176.984 175.800 -0.308 0.000 1.198 353 F CA -0.523 57.361 58.000 -0.193 0.000 1.268 353 F CB -0.351 38.369 39.000 -0.466 0.000 1.584 353 F HN 0.108 nan 8.300 nan 0.000 0.570 354 G N 2.080 110.411 108.800 -0.780 0.000 2.296 354 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.282 354 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.282 354 G C 0.682 175.336 174.900 -0.411 0.000 1.014 354 G CA 0.621 44.924 45.100 -1.329 0.000 0.812 354 G HN 0.749 nan 8.290 nan 0.000 0.508 355 N N -1.796 116.834 118.700 -0.118 0.000 2.740 355 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 355 N C 0.631 176.273 175.510 0.220 0.000 1.062 355 N CA 1.187 54.283 53.050 0.076 0.000 0.704 355 N CB -0.134 38.368 38.487 0.025 0.000 0.968 355 N HN 0.610 nan 8.380 nan 0.000 0.547 356 R N 0.480 121.148 120.500 0.279 0.000 2.643 356 R HA 0.427 4.767 4.340 -0.000 0.000 0.272 356 R C 0.391 176.971 176.300 0.467 0.000 0.995 356 R CA -0.759 55.571 56.100 0.384 0.000 1.032 356 R CB 0.677 31.178 30.300 0.334 0.000 1.126 356 R HN 0.281 nan 8.270 nan 0.000 0.505 357 M N 3.097 122.956 119.600 0.432 0.000 2.108 357 M HA 0.212 4.692 4.480 -0.000 0.000 0.347 357 M C -0.541 175.830 176.300 0.118 0.000 1.326 357 M CA -0.456 54.921 55.300 0.128 0.000 1.126 357 M CB 0.366 32.907 32.600 -0.098 0.000 1.606 357 M HN 0.277 nan 8.290 nan 0.000 0.462 358 I N 4.863 125.537 120.570 0.173 0.000 2.494 358 I HA 0.116 4.286 4.170 -0.000 0.000 0.289 358 I C 0.004 176.243 176.117 0.203 0.000 1.106 358 I CA 0.273 61.730 61.300 0.260 0.000 1.369 358 I CB -0.258 37.913 38.000 0.286 0.000 1.410 358 I HN 0.712 nan 8.210 nan 0.000 0.523 359 Q N 4.590 124.516 119.800 0.210 0.000 2.309 359 Q HA 0.504 4.844 4.340 -0.000 0.000 0.264 359 Q C -0.848 175.411 176.000 0.430 0.000 1.008 359 Q CA -0.284 55.646 55.803 0.211 0.000 0.853 359 Q CB 1.948 30.636 28.738 -0.083 0.000 1.314 359 Q HN 0.643 nan 8.270 nan 0.000 0.448 360 S N 0.887 116.824 115.700 0.395 0.000 2.593 360 S HA 0.996 5.466 4.470 -0.000 0.000 0.297 360 S C -0.656 174.227 174.600 0.471 0.000 1.112 360 S CA 0.135 58.611 58.200 0.461 0.000 1.043 360 S CB 1.415 64.840 63.200 0.375 0.000 1.054 360 S HN 0.832 nan 8.310 nan 0.000 0.516 361 G N 0.830 109.859 108.800 0.382 0.000 2.490 361 G HA2 0.556 4.516 3.960 -0.000 0.000 0.308 361 G HA3 0.556 4.516 3.960 -0.000 0.000 0.308 361 G C -2.043 172.788 174.900 -0.114 0.000 1.286 361 G CA -0.613 44.505 45.100 0.030 0.000 0.825 361 G HN 0.634 nan 8.290 nan 0.000 0.479 362 I N 0.112 120.512 120.570 -0.283 0.000 2.582 362 I HA 0.455 4.625 4.170 -0.000 0.000 0.292 362 I C -1.250 174.795 176.117 -0.120 0.000 1.066 362 I CA -0.820 60.371 61.300 -0.182 0.000 1.053 362 I CB 2.358 40.159 38.000 -0.333 0.000 1.241 362 I HN 0.404 nan 8.210 nan 0.000 0.421 363 L N 6.302 127.528 121.223 0.004 0.000 2.287 363 L HA 0.753 5.093 4.340 -0.000 0.000 0.287 363 L C -0.277 176.621 176.870 0.046 0.000 1.022 363 L CA -0.037 54.792 54.840 -0.018 0.000 0.814 363 L CB 1.256 43.285 42.059 -0.050 0.000 1.217 363 L HN 0.662 nan 8.230 nan 0.000 0.420 364 A N 4.975 127.809 122.820 0.022 0.000 2.271 364 A HA 0.666 4.986 4.320 -0.000 0.000 0.317 364 A C -0.806 176.997 177.584 0.365 0.000 1.245 364 A CA -0.426 51.701 52.037 0.150 0.000 0.857 364 A CB 0.453 19.420 19.000 -0.054 0.000 1.175 364 A HN 0.765 nan 8.150 nan 0.000 0.512 365 c N 5.027 123.861 118.600 0.390 0.000 2.369 365 c HA 0.655 5.225 4.570 -0.000 0.000 0.322 365 c C -2.332 171.777 174.090 0.032 0.000 1.258 365 c CA -1.092 55.377 56.329 0.235 0.000 1.487 365 c CB 1.638 44.238 42.510 0.149 0.000 2.165 365 c HN 0.741 nan 8.230 nan 0.000 0.483 366 P HA 0.093 nan 4.420 nan 0.000 0.275 366 P C -0.604 176.491 177.300 -0.342 0.000 1.227 366 P CA -0.281 62.270 63.100 -0.915 0.000 0.781 366 P CB 0.809 31.837 31.700 -1.120 0.000 0.906 367 L N 5.026 126.113 121.223 -0.226 0.000 2.536 367 L HA 0.130 4.470 4.340 -0.000 0.000 0.282 367 L C 0.310 177.141 176.870 -0.064 0.000 1.174 367 L CA 0.724 55.530 54.840 -0.058 0.000 0.989 367 L CB -1.265 40.819 42.059 0.042 0.000 1.311 367 L HN 0.344 nan 8.230 nan 0.000 0.455 368 R N 2.684 123.153 120.500 -0.051 0.000 2.836 368 R HA 0.380 4.720 4.340 -0.000 0.000 0.269 368 R C 0.054 176.361 176.300 0.011 0.000 1.010 368 R CA -0.662 55.419 56.100 -0.032 0.000 0.930 368 R CB 1.334 31.593 30.300 -0.069 0.000 1.218 368 R HN 0.433 nan 8.270 nan 0.000 0.473 369 Q N 0.586 120.400 119.800 0.024 0.000 2.282 369 Q HA 0.018 4.358 4.340 -0.000 0.000 0.206 369 Q C -0.360 175.650 176.000 0.017 0.000 0.878 369 Q CA 0.346 56.177 55.803 0.046 0.000 0.944 369 Q CB 0.630 29.410 28.738 0.070 0.000 1.100 369 Q HN 0.510 nan 8.270 nan 0.000 0.509 370 D N -0.292 120.107 120.400 -0.002 0.000 2.696 370 D HA 0.083 4.723 4.640 -0.000 0.000 0.269 370 D C -0.115 176.177 176.300 -0.014 0.000 1.319 370 D CA -0.294 53.702 54.000 -0.007 0.000 0.826 370 D CB -0.149 40.645 40.800 -0.010 0.000 1.086 370 D HN 0.092 nan 8.370 nan 0.000 0.481 371 L N 1.175 122.388 121.223 -0.017 0.000 2.559 371 L HA 0.058 4.398 4.340 -0.000 0.000 0.282 371 L C 1.655 178.514 176.870 -0.017 0.000 1.232 371 L CA 0.808 55.634 54.840 -0.023 0.000 0.885 371 L CB 0.628 42.672 42.059 -0.025 0.000 1.131 371 L HN 0.246 nan 8.230 nan 0.000 0.498 372 T N -2.313 112.231 114.554 -0.017 0.000 3.464 372 T HA 0.072 4.422 4.350 -0.000 0.000 0.222 372 T C 0.706 175.398 174.700 -0.013 0.000 0.982 372 T CA 0.164 62.257 62.100 -0.012 0.000 1.132 372 T CB 0.143 69.006 68.868 -0.008 0.000 1.226 372 T HN 0.564 nan 8.240 nan 0.000 0.346 373 N N 0.941 119.636 118.700 -0.007 0.000 2.377 373 N HA 0.296 5.036 4.740 -0.000 0.000 0.259 373 N C 0.044 175.561 175.510 0.011 0.000 1.332 373 N CA -0.217 52.831 53.050 -0.003 0.000 0.877 373 N CB 0.566 39.054 38.487 0.001 0.000 1.299 373 N HN 0.444 nan 8.380 nan 0.000 0.501 374 E N -0.108 120.099 120.200 0.012 0.000 2.400 374 E HA 0.199 4.549 4.350 -0.000 0.000 0.195 374 E C -0.090 176.570 176.600 0.099 0.000 1.012 374 E CA 0.134 56.559 56.400 0.043 0.000 0.875 374 E CB 0.192 29.890 29.700 -0.004 0.000 0.859 374 E HN 0.340 nan 8.360 nan 0.000 0.498 375 c N 1.415 120.049 118.600 0.056 0.000 2.644 375 c HA 0.275 4.845 4.570 -0.000 0.000 0.417 375 c C 0.309 174.432 174.090 0.055 0.000 1.304 375 c CA -0.651 55.729 56.329 0.084 0.000 2.035 375 c CB -0.606 41.893 42.510 -0.018 0.000 2.673 375 c HN 0.297 nan 8.230 nan 0.000 0.602 376 L N 3.091 124.350 121.223 0.061 0.000 2.341 376 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 376 L C -0.381 176.432 176.870 -0.096 0.000 1.005 376 L CA -0.505 54.317 54.840 -0.029 0.000 0.818 376 L CB 1.194 43.213 42.059 -0.068 0.000 1.259 376 L HN 0.354 nan 8.230 nan 0.000 0.418 377 V N 5.123 124.970 119.914 -0.112 0.000 2.385 377 V HA 0.277 4.397 4.120 -0.000 0.000 0.269 377 V C 0.097 176.126 176.094 -0.108 0.000 1.043 377 V CA -0.126 62.085 62.300 -0.148 0.000 0.906 377 V CB 1.125 32.824 31.823 -0.207 0.000 0.995 377 V HN 0.485 nan 8.190 nan 0.000 0.467 378 L N 8.997 130.123 121.223 -0.162 0.000 2.324 378 L HA 0.459 4.799 4.340 -0.000 0.000 0.274 378 L C -2.263 174.463 176.870 -0.241 0.000 1.012 378 L CA -1.546 53.165 54.840 -0.215 0.000 0.859 378 L CB 2.022 43.883 42.059 -0.331 0.000 1.224 378 L HN 0.428 nan 8.230 nan 0.000 0.429 379 P HA 0.208 nan 4.420 nan 0.000 0.282 379 P C -0.756 176.434 177.300 -0.183 0.000 1.249 379 P CA -0.383 62.705 63.100 -0.019 0.000 0.806 379 P CB 1.014 32.812 31.700 0.165 0.000 0.984 380 F N 0.290 120.187 119.950 -0.088 0.000 2.389 380 F HA 0.177 4.704 4.527 -0.000 0.000 0.337 380 F C 1.750 177.462 175.800 -0.147 0.000 1.112 380 F CA 0.299 58.193 58.000 -0.177 0.000 1.192 380 F CB 0.667 39.512 39.000 -0.257 0.000 1.185 380 F HN 0.197 nan 8.300 nan 0.000 0.552 381 S N 1.862 117.587 115.700 0.040 0.000 2.531 381 S HA 0.065 4.535 4.470 -0.000 0.000 0.279 381 S C 0.939 175.487 174.600 -0.086 0.000 1.305 381 S CA -0.733 57.434 58.200 -0.055 0.000 1.058 381 S CB 0.157 63.304 63.200 -0.087 0.000 0.899 381 S HN 0.577 nan 8.310 nan 0.000 0.493 382 N N 3.483 122.093 118.700 -0.149 0.000 2.571 382 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 382 N C 0.325 175.712 175.510 -0.204 0.000 1.154 382 N CA 0.328 53.239 53.050 -0.231 0.000 0.907 382 N CB -0.003 38.123 38.487 -0.600 0.000 0.977 382 N HN 0.596 nan 8.380 nan 0.000 0.449 383 D N -0.012 120.283 120.400 -0.175 0.000 2.350 383 D HA 0.056 4.696 4.640 -0.000 0.000 0.213 383 D C 0.926 177.162 176.300 -0.105 0.000 1.031 383 D CA 0.514 54.420 54.000 -0.157 0.000 0.861 383 D CB 0.462 41.157 40.800 -0.175 0.000 0.926 383 D HN 0.439 nan 8.370 nan 0.000 0.520 384 Q N -0.624 119.011 119.800 -0.275 0.000 2.185 384 Q HA 0.233 4.573 4.340 -0.000 0.000 0.234 384 Q C -0.079 175.304 176.000 -1.028 0.000 0.819 384 Q CA 0.054 55.457 55.803 -0.666 0.000 0.961 384 Q CB 2.580 31.069 28.738 -0.415 0.000 1.140 384 Q HN -0.093 nan 8.270 nan 0.000 0.492 385 V N 0.999 120.607 119.914 -0.511 0.000 3.078 385 V HA 0.376 4.496 4.120 -0.000 0.000 0.311 385 V C -0.391 175.819 176.094 0.195 0.000 1.138 385 V CA -0.856 61.243 62.300 -0.334 0.000 1.007 385 V CB 2.567 34.071 31.823 -0.530 0.000 1.045 385 V HN 0.125 nan 8.190 nan 0.000 0.432 386 L N 1.953 123.311 121.223 0.226 0.000 2.543 386 L HA 0.450 4.790 4.340 -0.000 0.000 0.231 386 L C 0.707 177.565 176.870 -0.020 0.000 1.194 386 L CA -0.439 54.480 54.840 0.132 0.000 0.823 386 L CB 0.397 42.439 42.059 -0.028 0.000 1.374 386 L HN 0.649 nan 8.230 nan 0.000 0.507 387 M N 0.880 120.242 119.600 -0.397 0.000 2.240 387 M HA 0.031 4.511 4.480 -0.000 0.000 0.346 387 M C 0.576 176.858 176.300 -0.031 0.000 1.236 387 M CA 0.229 55.335 55.300 -0.324 0.000 0.986 387 M CB 0.391 32.756 32.600 -0.392 0.000 1.786 387 M HN 0.619 nan 8.290 nan 0.000 0.457 388 G N 3.657 112.532 108.800 0.127 0.000 2.368 388 G HA2 0.400 4.360 3.960 -0.000 0.000 0.233 388 G HA3 0.400 4.360 3.960 -0.000 0.000 0.233 388 G C -0.536 174.478 174.900 0.190 0.000 1.267 388 G CA 0.088 45.334 45.100 0.244 0.000 0.873 388 G HN 1.143 nan 8.290 nan 0.000 0.539 389 A N 1.724 124.586 122.820 0.070 0.000 2.493 389 A HA 0.686 5.006 4.320 -0.000 0.000 0.300 389 A C -0.191 176.979 177.584 -0.690 0.000 1.152 389 A CA -0.733 51.119 52.037 -0.309 0.000 0.643 389 A CB 0.492 19.368 19.000 -0.208 0.000 1.316 389 A HN 0.679 nan 8.150 nan 0.000 0.469 390 E N -0.783 118.950 120.200 -0.779 0.000 2.428 390 E HA 0.432 4.782 4.350 -0.000 0.000 0.257 390 E C 0.409 176.951 176.600 -0.097 0.000 1.197 390 E CA 0.818 56.970 56.400 -0.413 0.000 0.974 390 E CB 0.598 30.256 29.700 -0.071 0.000 0.976 390 E HN 1.082 nan 8.360 nan 0.000 0.463 391 G N -0.119 108.788 108.800 0.179 0.000 2.488 391 G HA2 0.492 4.452 3.960 -0.000 0.000 0.301 391 G HA3 0.492 4.452 3.960 -0.000 0.000 0.301 391 G C -1.618 173.535 174.900 0.421 0.000 1.339 391 G CA -0.792 44.391 45.100 0.139 0.000 0.803 391 G HN 0.420 nan 8.290 nan 0.000 0.482 392 R N -0.855 119.864 120.500 0.364 0.000 2.643 392 R HA 0.642 4.982 4.340 -0.000 0.000 0.269 392 R C -1.667 174.837 176.300 0.339 0.000 1.037 392 R CA -0.750 55.556 56.100 0.343 0.000 0.894 392 R CB 1.631 32.083 30.300 0.252 0.000 1.238 392 R HN 0.471 nan 8.270 nan 0.000 0.459 393 L N 3.499 124.838 121.223 0.193 0.000 2.334 393 L HA 0.602 4.942 4.340 -0.000 0.000 0.276 393 L C -1.173 175.691 176.870 -0.011 0.000 1.014 393 L CA -0.839 54.151 54.840 0.249 0.000 0.815 393 L CB 1.512 43.699 42.059 0.213 0.000 1.268 393 L HN 0.612 nan 8.230 nan 0.000 0.428 394 Y N 1.513 121.898 120.300 0.142 0.000 2.634 394 Y HA 0.649 5.199 4.550 -0.000 0.000 0.340 394 Y C -0.359 175.465 175.900 -0.127 0.000 1.058 394 Y CA -0.986 57.073 58.100 -0.069 0.000 1.081 394 Y CB 2.074 40.358 38.460 -0.294 0.000 1.295 394 Y HN 0.380 nan 8.280 nan 0.000 0.487 395 M N 1.636 121.140 119.600 -0.160 0.000 2.204 395 M HA 0.460 4.940 4.480 -0.000 0.000 0.293 395 M C -2.280 173.742 176.300 -0.463 0.000 0.994 395 M CA -0.621 54.597 55.300 -0.136 0.000 0.925 395 M CB 0.922 33.515 32.600 -0.012 0.000 1.577 395 M HN 0.517 nan 8.290 nan 0.000 0.439 396 Y N 4.171 124.357 120.300 -0.189 0.000 2.447 396 Y HA 0.623 5.173 4.550 -0.000 0.000 0.325 396 Y C 0.947 176.707 175.900 -0.233 0.000 0.976 396 Y CA 0.096 57.871 58.100 -0.542 0.000 1.280 396 Y CB 1.102 38.788 38.460 -1.289 0.000 1.104 396 Y HN 0.965 nan 8.280 nan 0.000 0.486 397 G N 2.420 111.205 108.800 -0.024 0.000 2.561 397 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.289 397 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.289 397 G C 0.534 175.505 174.900 0.119 0.000 1.169 397 G CA 0.590 45.733 45.100 0.072 0.000 0.980 397 G HN 0.522 nan 8.290 nan 0.000 0.550 398 D N 1.281 121.779 120.400 0.162 0.000 2.349 398 D HA 0.306 4.946 4.640 -0.000 0.000 0.214 398 D C 0.741 177.197 176.300 0.259 0.000 1.063 398 D CA 0.746 54.867 54.000 0.201 0.000 0.847 398 D CB 0.409 41.305 40.800 0.160 0.000 0.933 398 D HN 0.261 nan 8.370 nan 0.000 0.513 399 S N 0.403 116.257 115.700 0.257 0.000 2.508 399 S HA 0.371 4.841 4.470 -0.000 0.000 0.284 399 S C 0.214 174.985 174.600 0.285 0.000 1.192 399 S CA -0.644 57.727 58.200 0.286 0.000 1.070 399 S CB 2.551 66.020 63.200 0.449 0.000 1.004 399 S HN -0.141 nan 8.310 nan 0.000 0.493 400 V N 3.906 123.893 119.914 0.122 0.000 2.509 400 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 400 V C -0.972 175.266 176.094 0.240 0.000 1.047 400 V CA -0.380 61.975 62.300 0.092 0.000 0.952 400 V CB 0.421 32.128 31.823 -0.194 0.000 0.988 400 V HN 0.772 nan 8.190 nan 0.000 0.469 401 Y N 3.190 123.641 120.300 0.253 0.000 2.562 401 Y HA 0.634 5.184 4.550 -0.000 0.000 0.343 401 Y C -0.675 175.523 175.900 0.497 0.000 1.025 401 Y CA -0.903 57.409 58.100 0.354 0.000 1.082 401 Y CB 2.078 40.762 38.460 0.373 0.000 1.264 401 Y HN 0.616 nan 8.280 nan 0.000 0.478 402 Y N 2.587 123.151 120.300 0.441 0.000 2.442 402 Y HA 0.458 5.008 4.550 -0.000 0.000 0.344 402 Y C -1.926 174.254 175.900 0.467 0.000 0.976 402 Y CA -1.752 56.600 58.100 0.420 0.000 1.040 402 Y CB 1.091 39.683 38.460 0.221 0.000 1.228 402 Y HN 0.550 nan 8.280 nan 0.000 0.451 403 Y N 6.032 126.250 120.300 -0.137 0.000 2.335 403 Y HA 0.504 5.054 4.550 0.000 0.000 0.338 403 Y C -1.039 174.396 175.900 -0.775 0.000 0.977 403 Y CA -0.680 57.259 58.100 -0.268 0.000 1.114 403 Y CB 1.297 39.771 38.460 0.023 0.000 1.182 403 Y HN 0.718 nan 8.280 nan 0.000 0.463 404 Q N 7.197 126.170 119.800 -1.379 0.000 2.341 404 Q HA 0.329 4.669 4.340 -0.000 0.000 0.268 404 Q C -0.674 174.599 176.000 -1.211 0.000 1.013 404 Q CA -1.065 54.057 55.803 -1.135 0.000 0.798 404 Q CB 1.012 29.496 28.738 -0.423 0.000 1.253 404 Q HN 0.924 nan 8.270 nan 0.000 0.457 405 R N 2.329 122.221 120.500 -1.014 0.000 2.638 405 R HA 0.053 4.393 4.340 -0.000 0.000 0.268 405 R C -0.856 175.220 176.300 -0.374 0.000 1.006 405 R CA 0.451 56.187 56.100 -0.606 0.000 1.088 405 R CB 0.529 30.645 30.300 -0.307 0.000 0.950 405 R HN 0.506 nan 8.270 nan 0.000 0.419 406 S N 3.689 119.232 115.700 -0.261 0.000 2.955 406 S HA 0.072 4.542 4.470 -0.000 0.000 0.294 406 S C 0.091 174.594 174.600 -0.162 0.000 1.198 406 S CA -0.442 57.630 58.200 -0.214 0.000 1.008 406 S CB 0.268 63.339 63.200 -0.213 0.000 1.279 406 S HN 0.629 nan 8.310 nan 0.000 0.508 407 N N 1.327 119.931 118.700 -0.159 0.000 2.230 407 N HA 0.194 4.934 4.740 -0.000 0.000 0.202 407 N C 0.579 175.990 175.510 -0.165 0.000 1.119 407 N CA 0.026 53.008 53.050 -0.115 0.000 0.851 407 N CB 0.487 38.933 38.487 -0.068 0.000 0.990 407 N HN 0.421 nan 8.380 nan 0.000 0.497 408 S N -1.473 114.100 115.700 -0.211 0.000 2.702 408 S HA 0.261 4.731 4.470 -0.000 0.000 0.272 408 S C 0.962 175.477 174.600 -0.141 0.000 1.068 408 S CA -0.717 57.339 58.200 -0.241 0.000 0.964 408 S CB -0.190 62.814 63.200 -0.326 0.000 1.307 408 S HN 0.357 nan 8.310 nan 0.000 0.567 409 W N 0.410 121.661 121.300 -0.082 0.000 2.418 409 W HA 0.092 4.752 4.660 0.000 0.000 0.292 409 W C 0.877 177.465 176.519 0.115 0.000 1.213 409 W CA -0.260 57.088 57.345 0.005 0.000 1.283 409 W CB -0.949 28.523 29.460 0.019 0.000 1.119 409 W HN 0.477 nan 8.180 nan 0.000 0.542 410 W N 6.576 127.383 121.300 -0.821 0.000 2.437 410 W HA 0.106 4.766 4.660 0.000 0.000 0.312 410 W C -1.590 174.721 176.519 -0.347 0.000 1.242 410 W CA -1.907 55.049 57.345 -0.648 0.000 1.340 410 W CB 0.872 29.658 29.460 -1.123 0.000 1.327 410 W HN -0.212 nan 8.180 nan 0.000 0.476 411 P HA -0.032 nan 4.420 nan 0.000 0.253 411 P C 0.300 177.241 177.300 -0.598 0.000 1.260 411 P CA 0.590 63.403 63.100 -0.477 0.000 0.800 411 P CB 0.291 31.795 31.700 -0.327 0.000 1.162 412 M N -0.234 118.751 119.600 -1.026 0.000 2.444 412 M HA 0.236 4.716 4.480 -0.000 0.000 0.319 412 M C 0.558 176.663 176.300 -0.326 0.000 1.183 412 M CA -0.486 54.410 55.300 -0.674 0.000 1.032 412 M CB -0.055 32.087 32.600 -0.764 0.000 1.569 412 M HN -0.312 nan 8.290 nan 0.000 0.468 413 T N 3.571 118.012 114.554 -0.189 0.000 2.822 413 T HA 0.093 4.443 4.350 -0.000 0.000 0.288 413 T C 0.271 174.870 174.700 -0.168 0.000 0.991 413 T CA 0.262 62.288 62.100 -0.123 0.000 1.176 413 T CB -0.207 68.546 68.868 -0.192 0.000 0.951 413 T HN 0.315 nan 8.240 nan 0.000 0.526 414 M N 5.064 124.558 119.600 -0.177 0.000 2.066 414 M HA 0.416 4.896 4.480 -0.000 0.000 0.340 414 M C -0.632 175.429 176.300 -0.398 0.000 1.053 414 M CA -0.333 54.767 55.300 -0.334 0.000 0.983 414 M CB 0.616 33.038 32.600 -0.297 0.000 1.520 414 M HN 0.451 nan 8.290 nan 0.000 0.428 415 L N 4.400 125.339 121.223 -0.474 0.000 2.365 415 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 415 L C -1.412 175.276 176.870 -0.304 0.000 1.000 415 L CA -0.834 53.867 54.840 -0.232 0.000 0.819 415 L CB 1.913 43.887 42.059 -0.141 0.000 1.284 415 L HN 0.500 nan 8.230 nan 0.000 0.418 416 Y N 0.595 120.953 120.300 0.096 0.000 2.492 416 Y HA 0.401 4.951 4.550 -0.000 0.000 0.346 416 Y C -0.270 175.514 175.900 -0.194 0.000 0.997 416 Y CA -1.101 57.002 58.100 0.005 0.000 1.025 416 Y CB 1.842 40.245 38.460 -0.096 0.000 1.263 416 Y HN 0.392 nan 8.280 nan 0.000 0.454 417 K N 2.150 122.394 120.400 -0.260 0.000 2.258 417 K HA 0.611 4.931 4.320 -0.000 0.000 0.284 417 K C -1.395 175.002 176.600 -0.338 0.000 1.051 417 K CA -0.350 55.441 56.287 -0.826 0.000 0.923 417 K CB 0.633 32.741 32.500 -0.654 0.000 1.046 417 K HN 0.581 nan 8.250 nan 0.000 0.474 418 V N 3.865 123.634 119.914 -0.241 0.000 2.427 418 V HA 0.228 4.348 4.120 -0.000 0.000 0.286 418 V C -0.214 175.809 176.094 -0.118 0.000 1.034 418 V CA -0.682 61.564 62.300 -0.091 0.000 0.893 418 V CB 1.664 33.497 31.823 0.016 0.000 0.982 418 V HN 0.828 nan 8.190 nan 0.000 0.452 419 T N 6.518 121.009 114.554 -0.104 0.000 2.756 419 T HA 0.609 4.959 4.350 -0.000 0.000 0.290 419 T C -0.200 174.445 174.700 -0.092 0.000 0.985 419 T CA -0.067 61.983 62.100 -0.083 0.000 0.955 419 T CB 0.494 69.314 68.868 -0.080 0.000 0.930 419 T HN 0.385 nan 8.240 nan 0.000 0.451 420 I N 3.046 123.581 120.570 -0.059 0.000 2.354 420 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 420 I C 0.417 176.541 176.117 0.012 0.000 0.989 420 I CA -0.652 60.594 61.300 -0.090 0.000 1.188 420 I CB 1.607 39.548 38.000 -0.098 0.000 1.342 420 I HN 0.451 nan 8.210 nan 0.000 0.457 421 T N 6.073 120.558 114.554 -0.115 0.000 2.795 421 T HA 0.511 4.861 4.350 -0.000 0.000 0.282 421 T C -0.551 174.057 174.700 -0.154 0.000 0.980 421 T CA -0.241 61.836 62.100 -0.038 0.000 1.012 421 T CB 0.552 69.376 68.868 -0.074 0.000 0.936 421 T HN 0.095 nan 8.240 nan 0.000 0.457 422 F N 1.722 121.609 119.950 -0.104 0.000 2.443 422 F HA 0.468 4.995 4.527 -0.000 0.000 0.335 422 F C 0.887 176.633 175.800 -0.089 0.000 1.104 422 F CA -0.742 57.182 58.000 -0.127 0.000 1.013 422 F CB 1.873 40.801 39.000 -0.120 0.000 1.136 422 F HN 0.348 nan 8.300 nan 0.000 0.470 423 T N 3.083 117.663 114.554 0.042 0.000 2.892 423 T HA 0.269 4.619 4.350 -0.000 0.000 0.311 423 T C -0.330 174.398 174.700 0.047 0.000 1.033 423 T CA -0.874 61.242 62.100 0.027 0.000 0.991 423 T CB 0.032 68.886 68.868 -0.023 0.000 0.981 423 T HN 0.726 nan 8.240 nan 0.000 0.457 424 N N 2.158 120.899 118.700 0.068 0.000 2.816 424 N HA -0.205 4.535 4.740 -0.000 0.000 0.247 424 N C 0.980 176.563 175.510 0.121 0.000 1.100 424 N CA 0.400 53.494 53.050 0.073 0.000 0.687 424 N CB -1.011 37.508 38.487 0.053 0.000 1.003 424 N HN 1.127 nan 8.380 nan 0.000 0.554 425 G N -0.657 108.243 108.800 0.166 0.000 2.168 425 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 425 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 425 G C -0.204 174.935 174.900 0.398 0.000 0.977 425 G CA 0.758 46.011 45.100 0.255 0.000 0.659 425 G HN 0.512 nan 8.290 nan 0.000 0.533 426 Q N -0.168 119.759 119.800 0.212 0.000 2.356 426 Q HA 0.396 4.736 4.340 -0.000 0.000 0.270 426 Q C -2.840 172.823 176.000 -0.562 0.000 1.058 426 Q CA -2.158 53.569 55.803 -0.126 0.000 0.802 426 Q CB 2.697 31.418 28.738 -0.027 0.000 1.303 426 Q HN 0.066 nan 8.270 nan 0.000 0.444 427 P HA -0.078 nan 4.420 nan 0.000 0.263 427 P C 0.075 176.984 177.300 -0.651 0.000 1.195 427 P CA 0.647 62.982 63.100 -1.275 0.000 0.762 427 P CB 0.672 31.650 31.700 -1.203 0.000 0.799 428 S N 2.612 118.019 115.700 -0.489 0.000 2.554 428 S HA 0.574 5.044 4.470 -0.000 0.000 0.227 428 S C 0.467 174.919 174.600 -0.247 0.000 1.050 428 S CA 0.165 58.193 58.200 -0.287 0.000 0.927 428 S CB 0.333 63.421 63.200 -0.186 0.000 0.859 428 S HN 0.533 nan 8.310 nan 0.000 0.494 429 A N 1.210 123.861 122.820 -0.281 0.000 2.599 429 A HA 0.697 5.018 4.320 -0.000 0.000 0.294 429 A C -1.308 176.116 177.584 -0.266 0.000 1.055 429 A CA -0.969 50.924 52.037 -0.239 0.000 0.683 429 A CB 0.727 19.627 19.000 -0.165 0.000 1.278 429 A HN 0.874 nan 8.150 nan 0.000 0.412 430 I N -1.348 119.053 120.570 -0.281 0.000 2.689 430 I HA 0.895 5.065 4.170 -0.000 0.000 0.299 430 I C -0.455 175.555 176.117 -0.178 0.000 1.059 430 I CA -0.646 60.483 61.300 -0.286 0.000 1.055 430 I CB 2.235 39.937 38.000 -0.498 0.000 1.243 430 I HN 0.544 nan 8.210 nan 0.000 0.425 431 S N 3.428 119.066 115.700 -0.103 0.000 2.536 431 S HA 0.888 5.358 4.470 -0.000 0.000 0.287 431 S C -0.842 173.737 174.600 -0.036 0.000 1.101 431 S CA -0.378 57.784 58.200 -0.065 0.000 0.950 431 S CB 1.721 64.865 63.200 -0.094 0.000 1.056 431 S HN 1.053 nan 8.310 nan 0.000 0.481 432 A N 3.378 126.153 122.820 -0.075 0.000 2.343 432 A HA 0.710 5.030 4.320 -0.000 0.000 0.316 432 A C -0.767 176.725 177.584 -0.152 0.000 1.104 432 A CA -0.621 51.326 52.037 -0.151 0.000 0.768 432 A CB 1.387 20.116 19.000 -0.451 0.000 1.213 432 A HN 0.777 nan 8.150 nan 0.000 0.456 433 Q N 2.565 122.296 119.800 -0.114 0.000 2.341 433 Q HA 0.241 4.581 4.340 -0.000 0.000 0.268 433 Q C -0.661 175.396 176.000 0.094 0.000 1.013 433 Q CA -0.494 55.230 55.803 -0.132 0.000 0.798 433 Q CB 0.853 29.312 28.738 -0.465 0.000 1.253 433 Q HN 0.892 nan 8.270 nan 0.000 0.457 434 N N 2.808 121.616 118.700 0.180 0.000 2.518 434 N HA 0.098 4.838 4.740 -0.000 0.000 0.266 434 N C -0.888 174.770 175.510 0.247 0.000 1.196 434 N CA -0.136 52.974 53.050 0.101 0.000 0.947 434 N CB 0.950 39.506 38.487 0.116 0.000 1.098 434 N HN 0.356 nan 8.380 nan 0.000 0.450 435 V N 5.966 125.933 119.914 0.088 0.000 2.339 435 V HA 0.218 4.338 4.120 -0.000 0.000 0.261 435 V C -1.841 174.236 176.094 -0.027 0.000 1.058 435 V CA -1.403 60.904 62.300 0.012 0.000 0.897 435 V CB 0.707 32.467 31.823 -0.104 0.000 1.052 435 V HN 0.668 nan 8.190 nan 0.000 0.480 436 P HA 0.125 nan 4.420 nan 0.000 0.261 436 P C -0.103 177.223 177.300 0.044 0.000 1.203 436 P CA 0.570 63.690 63.100 0.033 0.000 0.767 436 P CB 0.617 32.342 31.700 0.042 0.000 0.785 437 T N 0.126 114.736 114.554 0.093 0.000 2.812 437 T HA 0.467 4.817 4.350 -0.000 0.000 0.294 437 T C -0.031 174.820 174.700 0.251 0.000 1.159 437 T CA -0.615 61.571 62.100 0.143 0.000 1.008 437 T CB 1.933 70.882 68.868 0.135 0.000 1.289 437 T HN 0.454 nan 8.240 nan 0.000 0.514 438 Q N -0.159 119.757 119.800 0.193 0.000 2.023 438 Q HA 0.363 4.703 4.340 -0.000 0.000 0.221 438 Q C -0.616 175.385 176.000 0.000 0.000 0.806 438 Q CA -0.771 55.141 55.803 0.183 0.000 1.052 438 Q CB 0.618 29.478 28.738 0.204 0.000 1.229 438 Q HN 0.365 nan 8.270 nan 0.000 0.440 439 Q N 0.762 120.578 119.800 0.027 0.000 2.345 439 Q HA 0.496 4.836 4.340 -0.000 0.000 0.268 439 Q C -0.567 175.376 176.000 -0.096 0.000 1.054 439 Q CA -0.753 55.020 55.803 -0.049 0.000 0.835 439 Q CB 2.371 31.098 28.738 -0.019 0.000 1.339 439 Q HN 0.251 nan 8.270 nan 0.000 0.447 440 V N 2.693 122.395 119.914 -0.353 0.000 3.765 440 V HA -0.149 3.971 4.120 -0.000 0.000 0.447 440 V C -2.241 173.648 176.094 -0.341 0.000 0.680 440 V CA 0.013 61.966 62.300 -0.578 0.000 1.894 440 V CB -0.845 30.650 31.823 -0.548 0.000 2.321 440 V HN 0.675 nan 8.190 nan 0.000 0.492 441 P HA 0.605 nan 4.420 nan 0.000 0.281 441 P C -0.959 176.329 177.300 -0.020 0.000 1.281 441 P CA -0.519 62.467 63.100 -0.190 0.000 0.811 441 P CB 1.548 33.147 31.700 -0.168 0.000 1.154 442 R N 0.470 120.950 120.500 -0.033 0.000 2.795 442 R HA 0.508 4.848 4.340 -0.000 0.000 0.275 442 R C -2.997 173.317 176.300 0.024 0.000 0.981 442 R CA -2.510 53.618 56.100 0.046 0.000 0.917 442 R CB 1.022 31.342 30.300 0.034 0.000 1.202 442 R HN 0.264 nan 8.270 nan 0.000 0.469 443 P HA 0.234 nan 4.420 nan 0.000 0.271 443 P C -0.434 176.882 177.300 0.028 0.000 1.216 443 P CA 0.140 63.261 63.100 0.035 0.000 0.771 443 P CB 1.090 32.819 31.700 0.048 0.000 0.864 444 G N 0.661 109.468 108.800 0.013 0.000 2.725 444 G HA2 0.501 4.461 3.960 -0.000 0.000 0.288 444 G HA3 0.501 4.461 3.960 -0.000 0.000 0.288 444 G C -1.354 173.551 174.900 0.007 0.000 1.399 444 G CA -0.440 44.664 45.100 0.008 0.000 0.859 444 G HN 0.487 nan 8.290 nan 0.000 0.479 445 T N -0.891 113.664 114.554 0.002 0.000 2.907 445 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 445 T C 1.342 176.040 174.700 -0.003 0.000 1.004 445 T CA 1.635 63.733 62.100 -0.003 0.000 1.063 445 T CB 0.493 69.352 68.868 -0.016 0.000 0.992 445 T HN 2.195 nan 8.240 nan 0.000 0.483 446 G N 3.983 112.781 108.800 -0.002 0.000 2.629 446 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.313 446 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.313 446 G C 0.407 175.315 174.900 0.013 0.000 1.217 446 G CA 0.601 45.703 45.100 0.003 0.000 0.994 446 G HN 0.769 nan 8.290 nan 0.000 0.549 447 D N 0.726 121.139 120.400 0.023 0.000 2.325 447 D HA 0.214 4.854 4.640 -0.000 0.000 0.234 447 D C 0.915 177.246 176.300 0.050 0.000 1.122 447 D CA 0.912 54.932 54.000 0.034 0.000 0.850 447 D CB -0.362 40.461 40.800 0.038 0.000 0.921 447 D HN 0.429 nan 8.370 nan 0.000 0.513 448 c N 1.073 119.696 118.600 0.038 0.000 2.778 448 c HA 0.237 4.807 4.570 -0.000 0.000 0.252 448 c C 1.354 175.452 174.090 0.013 0.000 1.693 448 c CA -0.998 55.356 56.329 0.042 0.000 1.724 448 c CB -1.302 41.225 42.510 0.027 0.000 3.153 448 c HN 0.169 nan 8.230 nan 0.000 0.493 449 S N 1.317 117.023 115.700 0.011 0.000 2.632 449 S HA 0.611 5.081 4.470 -0.000 0.000 0.267 449 S C 1.388 175.973 174.600 -0.025 0.000 1.193 449 S CA 0.384 58.582 58.200 -0.003 0.000 1.003 449 S CB 0.596 63.797 63.200 0.001 0.000 1.073 449 S HN 0.545 nan 8.310 nan 0.000 0.553 450 A N 0.334 123.136 122.820 -0.030 0.000 2.121 450 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 450 A C 2.146 179.686 177.584 -0.074 0.000 1.154 450 A CA 1.637 53.637 52.037 -0.062 0.000 0.679 450 A CB -1.588 17.395 19.000 -0.029 0.000 0.795 450 A HN 1.086 nan 8.150 nan 0.000 0.458 451 T N -2.724 111.809 114.554 -0.035 0.000 3.081 451 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 451 T C 0.645 175.347 174.700 0.004 0.000 1.100 451 T CA 0.170 62.257 62.100 -0.021 0.000 1.038 451 T CB -0.565 68.301 68.868 -0.004 0.000 0.962 451 T HN 0.334 nan 8.240 nan 0.000 0.516 452 N N 1.188 119.897 118.700 0.015 0.000 2.482 452 N HA 0.213 4.953 4.740 -0.000 0.000 0.260 452 N C 0.856 176.458 175.510 0.153 0.000 1.236 452 N CA -0.296 52.804 53.050 0.084 0.000 0.938 452 N CB 0.521 39.074 38.487 0.110 0.000 1.128 452 N HN 0.023 nan 8.380 nan 0.000 0.448 453 R N 1.103 121.757 120.500 0.256 0.000 2.551 453 R HA 0.222 4.562 4.340 -0.000 0.000 0.316 453 R C -0.733 175.825 176.300 0.430 0.000 0.934 453 R CA -0.130 56.240 56.100 0.450 0.000 1.117 453 R CB -0.649 29.845 30.300 0.323 0.000 1.626 453 R HN 0.454 nan 8.270 nan 0.000 0.513 454 C N 2.914 122.356 119.300 0.238 0.000 2.329 454 C HA 0.516 4.976 4.460 -0.000 0.000 0.329 454 C C -2.196 172.642 174.990 -0.254 0.000 1.275 454 C CA -1.768 57.240 59.018 -0.017 0.000 1.726 454 C CB 1.910 29.624 27.740 -0.043 0.000 2.291 454 C HN 0.026 nan 8.230 nan 0.000 0.514 455 P HA 0.383 nan 4.420 nan 0.000 0.267 455 P C 0.397 177.320 177.300 -0.629 0.000 1.201 455 P CA 1.336 63.504 63.100 -1.553 0.000 0.775 455 P CB 0.480 31.307 31.700 -1.456 0.000 0.854 456 G N 0.937 109.458 108.800 -0.465 0.000 2.325 456 G HA2 0.277 4.237 3.960 -0.000 0.000 0.295 456 G HA3 0.277 4.237 3.960 -0.000 0.000 0.295 456 G C -2.062 172.903 174.900 0.109 0.000 1.274 456 G CA -0.625 44.428 45.100 -0.079 0.000 0.857 456 G HN 0.323 nan 8.290 nan 0.000 0.499 457 F N 1.630 121.611 119.950 0.051 0.000 2.293 457 F HA 0.655 5.182 4.527 -0.000 0.000 0.370 457 F C 0.149 175.991 175.800 0.069 0.000 1.090 457 F CA -0.987 57.061 58.000 0.081 0.000 1.133 457 F CB 0.219 39.259 39.000 0.067 0.000 1.360 457 F HN 0.506 nan 8.300 nan 0.000 0.489 458 c N 5.372 123.770 118.600 -0.336 0.000 2.470 458 c HA 0.672 5.242 4.570 -0.000 0.000 0.341 458 c C -0.232 173.542 174.090 -0.526 0.000 1.190 458 c CA -0.877 55.307 56.329 -0.242 0.000 1.904 458 c CB 1.473 43.947 42.510 -0.060 0.000 2.354 458 c HN 0.768 nan 8.230 nan 0.000 0.509 459 L N 2.543 123.605 121.223 -0.268 0.000 2.574 459 L HA 0.518 4.858 4.340 -0.000 0.000 0.258 459 L C -0.196 176.607 176.870 -0.112 0.000 1.520 459 L CA 0.705 55.410 54.840 -0.225 0.000 0.775 459 L CB 0.356 42.310 42.059 -0.174 0.000 1.028 459 L HN 0.887 nan 8.230 nan 0.000 0.516 460 T N -0.289 114.217 114.554 -0.079 0.000 2.885 460 T HA 0.863 5.213 4.350 -0.000 0.000 0.322 460 T C -0.513 174.181 174.700 -0.010 0.000 1.387 460 T CA 0.170 62.255 62.100 -0.024 0.000 1.041 460 T CB 1.557 70.409 68.868 -0.026 0.000 1.287 460 T HN 0.890 nan 8.240 nan 0.000 0.491 461 G N 0.864 109.686 108.800 0.036 0.000 2.339 461 G HA2 0.461 4.421 3.960 -0.000 0.000 0.275 461 G HA3 0.461 4.421 3.960 -0.000 0.000 0.275 461 G C -1.741 173.230 174.900 0.118 0.000 1.323 461 G CA 0.126 45.252 45.100 0.043 0.000 0.927 461 G HN 1.601 nan 8.290 nan 0.000 0.486 462 V N -1.811 118.178 119.914 0.126 0.000 3.147 462 V HA 0.697 4.817 4.120 -0.000 0.000 0.306 462 V C -0.964 175.215 176.094 0.142 0.000 1.209 462 V CA -1.152 61.290 62.300 0.237 0.000 1.023 462 V CB 1.699 33.692 31.823 0.284 0.000 1.059 462 V HN 1.392 nan 8.190 nan 0.000 0.435 463 Y N 1.789 122.021 120.300 -0.112 0.000 2.359 463 Y HA 0.685 5.235 4.550 0.000 0.000 0.334 463 Y C 0.255 176.117 175.900 -0.062 0.000 1.058 463 Y CA -0.061 57.863 58.100 -0.294 0.000 1.244 463 Y CB 0.945 38.770 38.460 -1.059 0.000 1.187 463 Y HN 1.058 nan 8.280 nan 0.000 0.510 464 A N 5.927 128.573 122.820 -0.290 0.000 2.839 464 A HA 0.303 4.623 4.320 -0.000 0.000 0.303 464 A C -1.119 176.082 177.584 -0.639 0.000 1.181 464 A CA -0.747 51.194 52.037 -0.160 0.000 0.808 464 A CB -0.382 18.679 19.000 0.100 0.000 1.391 464 A HN 0.825 nan 8.150 nan 0.000 0.433 465 D N 1.500 121.237 120.400 -1.106 0.000 2.384 465 D HA 0.681 5.321 4.640 -0.000 0.000 0.244 465 D C 0.256 176.254 176.300 -0.504 0.000 1.251 465 D CA 0.267 53.322 54.000 -1.575 0.000 0.961 465 D CB 1.016 41.196 40.800 -1.032 0.000 1.116 465 D HN 0.862 nan 8.370 nan 0.000 0.484 466 A N -0.688 121.946 122.820 -0.310 0.000 2.515 466 A HA 0.466 4.786 4.320 -0.000 0.000 0.298 466 A C -1.759 175.863 177.584 0.064 0.000 1.059 466 A CA -0.979 51.066 52.037 0.013 0.000 0.698 466 A CB 1.333 20.355 19.000 0.038 0.000 1.289 466 A HN 0.596 nan 8.150 nan 0.000 0.404 467 W N 4.206 125.529 121.300 0.039 0.000 2.429 467 W HA 0.557 5.217 4.660 0.000 0.000 0.314 467 W C -1.769 174.822 176.519 0.120 0.000 1.062 467 W CA -0.763 56.626 57.345 0.073 0.000 1.211 467 W CB 1.165 30.719 29.460 0.155 0.000 1.305 467 W HN 0.593 nan 8.180 nan 0.000 0.476 468 L N 7.419 128.446 121.223 -0.328 0.000 2.315 468 L HA 0.078 4.418 4.340 -0.000 0.000 0.283 468 L C 1.237 178.135 176.870 0.047 0.000 1.089 468 L CA -0.145 54.575 54.840 -0.199 0.000 0.833 468 L CB 0.885 42.600 42.059 -0.573 0.000 1.170 468 L HN 0.468 nan 8.230 nan 0.000 0.442 469 L N 2.040 123.458 121.223 0.324 0.000 2.509 469 L HA 0.112 4.452 4.340 -0.000 0.000 0.222 469 L C 0.703 177.798 176.870 0.375 0.000 1.123 469 L CA 0.592 55.732 54.840 0.500 0.000 0.856 469 L CB -0.000 42.383 42.059 0.540 0.000 0.985 469 L HN 0.585 nan 8.230 nan 0.000 0.456 470 T N -0.837 113.812 114.554 0.159 0.000 2.906 470 T HA 0.239 4.589 4.350 -0.000 0.000 0.295 470 T C -0.624 173.772 174.700 -0.507 0.000 1.061 470 T CA -0.571 61.508 62.100 -0.035 0.000 1.000 470 T CB 2.029 70.882 68.868 -0.026 0.000 1.103 470 T HN -0.140 nan 8.240 nan 0.000 0.486 471 N N 2.543 120.739 118.700 -0.840 0.000 2.411 471 N HA 0.266 5.006 4.740 -0.000 0.000 0.259 471 N C -1.927 173.122 175.510 -0.769 0.000 1.103 471 N CA -1.976 50.152 53.050 -1.537 0.000 0.954 471 N CB 1.565 39.355 38.487 -1.163 0.000 1.085 471 N HN 0.192 nan 8.380 nan 0.000 0.485 472 P HA 0.004 nan 4.420 nan 0.000 0.222 472 P C 0.546 177.582 177.300 -0.440 0.000 1.147 472 P CA 0.945 63.679 63.100 -0.609 0.000 0.790 472 P CB 0.403 31.606 31.700 -0.829 0.000 0.780 473 S N -1.497 114.109 115.700 -0.156 0.000 2.562 473 S HA 0.029 4.499 4.470 -0.000 0.000 0.221 473 S C 1.685 176.277 174.600 -0.013 0.000 0.975 473 S CA 0.460 58.717 58.200 0.095 0.000 0.918 473 S CB -0.565 62.753 63.200 0.197 0.000 0.772 473 S HN 0.124 nan 8.310 nan 0.000 0.531 474 S N 1.786 117.412 115.700 -0.124 0.000 2.561 474 S HA 0.016 4.486 4.470 -0.000 0.000 0.225 474 S C 1.039 175.602 174.600 -0.061 0.000 0.977 474 S CA 0.320 58.466 58.200 -0.090 0.000 0.926 474 S CB -0.048 63.073 63.200 -0.131 0.000 0.769 474 S HN 0.760 nan 8.310 nan 0.000 0.533 475 T N -0.353 114.160 114.554 -0.068 0.000 2.859 475 T HA 0.398 4.748 4.350 -0.000 0.000 0.281 475 T C 1.297 175.995 174.700 -0.003 0.000 1.005 475 T CA -0.265 61.808 62.100 -0.045 0.000 1.025 475 T CB 1.709 70.532 68.868 -0.074 0.000 0.977 475 T HN 0.063 nan 8.240 nan 0.000 0.458 476 S N 2.209 117.912 115.700 0.005 0.000 2.380 476 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 476 S C 0.954 175.580 174.600 0.043 0.000 1.043 476 S CA 0.922 59.136 58.200 0.023 0.000 1.038 476 S CB -0.896 62.313 63.200 0.015 0.000 0.872 476 S HN 0.824 nan 8.310 nan 0.000 0.456 477 T N 2.987 117.563 114.554 0.037 0.000 2.770 477 T HA 0.435 4.785 4.350 -0.000 0.000 0.297 477 T C -0.551 174.198 174.700 0.081 0.000 0.997 477 T CA -0.686 61.454 62.100 0.066 0.000 0.949 477 T CB 0.310 69.204 68.868 0.043 0.000 0.941 477 T HN 0.303 nan 8.240 nan 0.000 0.457 478 F N 3.414 123.359 119.950 -0.007 0.000 2.500 478 F HA 0.243 4.770 4.527 -0.000 0.000 0.409 478 F C 1.444 177.240 175.800 -0.007 0.000 0.982 478 F CA 1.418 59.412 58.000 -0.009 0.000 1.163 478 F CB -0.134 38.866 39.000 -0.001 0.000 0.942 478 F HN 0.891 nan 8.300 nan 0.000 0.535 479 G N 3.445 111.799 108.800 -0.743 0.000 2.166 479 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.260 479 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.260 479 G C 1.210 175.978 174.900 -0.220 0.000 0.986 479 G CA 1.031 45.796 45.100 -0.558 0.000 0.683 479 G HN 1.330 nan 8.290 nan 0.000 0.527 480 S N -0.983 114.634 115.700 -0.138 0.000 2.400 480 S HA -0.007 4.463 4.470 -0.000 0.000 0.232 480 S C 0.872 175.434 174.600 -0.064 0.000 1.025 480 S CA 1.744 59.905 58.200 -0.065 0.000 0.993 480 S CB 0.214 63.392 63.200 -0.038 0.000 0.808 480 S HN 0.751 nan 8.310 nan 0.000 0.478 481 E N 0.491 120.637 120.200 -0.090 0.000 2.580 481 E HA 0.605 4.955 4.350 -0.000 0.000 0.248 481 E C -1.302 175.244 176.600 -0.091 0.000 1.018 481 E CA -0.371 55.986 56.400 -0.070 0.000 0.775 481 E CB 1.293 30.957 29.700 -0.059 0.000 1.378 481 E HN 0.509 nan 8.360 nan 0.000 0.401 482 A N 2.523 125.307 122.820 -0.061 0.000 2.337 482 A HA 0.754 5.074 4.320 -0.000 0.000 0.329 482 A C -0.390 177.226 177.584 0.054 0.000 1.146 482 A CA -0.492 51.520 52.037 -0.041 0.000 0.800 482 A CB 1.758 20.722 19.000 -0.061 0.000 1.220 482 A HN 0.375 nan 8.150 nan 0.000 0.472 483 T N 2.150 116.737 114.554 0.056 0.000 2.824 483 T HA 0.700 5.050 4.350 -0.000 0.000 0.282 483 T C -0.808 173.997 174.700 0.174 0.000 0.993 483 T CA -0.070 62.045 62.100 0.025 0.000 0.967 483 T CB 0.539 69.404 68.868 -0.005 0.000 0.960 483 T HN 0.715 nan 8.240 nan 0.000 0.441 484 F N -0.785 119.207 119.950 0.070 0.000 2.643 484 F HA 0.896 5.423 4.527 -0.000 0.000 0.314 484 F C -0.441 175.426 175.800 0.111 0.000 1.096 484 F CA -1.098 56.961 58.000 0.099 0.000 0.953 484 F CB 1.583 40.618 39.000 0.058 0.000 1.345 484 F HN 0.500 nan 8.300 nan 0.000 0.468 485 T N -0.388 114.326 114.554 0.266 0.000 2.903 485 T HA 0.843 5.193 4.350 -0.000 0.000 0.299 485 T C -0.536 174.105 174.700 -0.098 0.000 1.093 485 T CA 0.099 62.164 62.100 -0.058 0.000 1.002 485 T CB 1.477 70.399 68.868 0.091 0.000 1.127 485 T HN 1.725 nan 8.240 nan 0.000 0.488 486 G N 1.479 110.005 108.800 -0.456 0.000 2.356 486 G HA2 0.519 4.479 3.960 -0.000 0.000 0.281 486 G HA3 0.519 4.479 3.960 -0.000 0.000 0.281 486 G C -1.113 173.772 174.900 -0.025 0.000 1.246 486 G CA 0.023 45.088 45.100 -0.057 0.000 0.889 486 G HN 1.365 nan 8.290 nan 0.000 0.486 487 S N -1.147 114.731 115.700 0.296 0.000 2.599 487 S HA 0.902 5.372 4.470 -0.000 0.000 0.294 487 S C -0.971 173.978 174.600 0.581 0.000 1.094 487 S CA -0.489 57.947 58.200 0.394 0.000 0.931 487 S CB 2.143 65.510 63.200 0.278 0.000 1.093 487 S HN 2.171 nan 8.310 nan 0.000 0.488 488 Y N -0.811 119.666 120.300 0.294 0.000 2.592 488 Y HA 0.642 5.192 4.550 -0.000 0.000 0.334 488 Y C -2.163 173.814 175.900 0.129 0.000 1.136 488 Y CA -1.699 56.521 58.100 0.200 0.000 1.042 488 Y CB 0.620 39.163 38.460 0.138 0.000 1.325 488 Y HN 0.685 nan 8.280 nan 0.000 0.457 489 L N 3.743 124.946 121.223 -0.034 0.000 2.268 489 L HA 0.299 4.639 4.340 -0.000 0.000 0.289 489 L C 0.048 176.748 176.870 -0.284 0.000 1.064 489 L CA -0.408 54.344 54.840 -0.147 0.000 0.824 489 L CB 0.391 42.465 42.059 0.024 0.000 1.202 489 L HN 0.626 nan 8.230 nan 0.000 0.433 490 N N 2.690 121.071 118.700 -0.532 0.000 2.671 490 N HA 0.156 4.896 4.740 -0.000 0.000 0.274 490 N C -0.683 174.751 175.510 -0.127 0.000 1.188 490 N CA 0.391 53.207 53.050 -0.391 0.000 1.065 490 N CB 0.230 38.440 38.487 -0.461 0.000 1.415 490 N HN 0.629 nan 8.380 nan 0.000 0.511 491 T N -0.244 114.284 114.554 -0.044 0.000 2.770 491 T HA 0.493 4.843 4.350 -0.000 0.000 0.323 491 T C 0.467 175.170 174.700 0.005 0.000 1.683 491 T CA -0.031 62.059 62.100 -0.018 0.000 1.024 491 T CB 0.637 69.492 68.868 -0.022 0.000 1.557 491 T HN 0.214 nan 8.240 nan 0.000 0.494 492 A N 0.612 123.434 122.820 0.003 0.000 1.874 492 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 492 A C 1.916 179.504 177.584 0.007 0.000 1.189 492 A CA 2.303 54.342 52.037 0.003 0.000 0.615 492 A CB -0.634 18.366 19.000 -0.000 0.000 0.830 492 A HN 1.042 nan 8.150 nan 0.000 0.443 493 T N -4.146 110.413 114.554 0.009 0.000 2.986 493 T HA 0.292 4.642 4.350 -0.000 0.000 0.264 493 T C 0.533 175.247 174.700 0.023 0.000 0.964 493 T CA -0.229 61.879 62.100 0.014 0.000 0.895 493 T CB 0.025 68.899 68.868 0.010 0.000 1.163 493 T HN 0.380 nan 8.240 nan 0.000 0.517 494 Q N 1.006 120.819 119.800 0.021 0.000 2.214 494 Q HA 0.500 4.840 4.340 -0.000 0.000 0.251 494 Q C -0.432 175.592 176.000 0.041 0.000 0.936 494 Q CA -0.776 55.044 55.803 0.028 0.000 0.894 494 Q CB 1.698 30.446 28.738 0.017 0.000 1.252 494 Q HN 0.187 nan 8.270 nan 0.000 0.448 495 R N 1.852 122.389 120.500 0.061 0.000 3.266 495 R HA 0.285 4.625 4.340 -0.000 0.000 0.224 495 R C -0.832 175.509 176.300 0.069 0.000 1.525 495 R CA 0.023 56.175 56.100 0.087 0.000 1.364 495 R CB -0.327 30.049 30.300 0.128 0.000 1.276 495 R HN 0.379 nan 8.270 nan 0.000 0.660 496 I N 0.525 121.115 120.570 0.034 0.000 3.095 496 I HA 0.203 4.373 4.170 -0.000 0.000 0.310 496 I C -0.721 175.379 176.117 -0.027 0.000 1.196 496 I CA -0.686 60.621 61.300 0.011 0.000 0.985 496 I CB 1.903 39.902 38.000 -0.002 0.000 1.250 496 I HN 0.403 nan 8.210 nan 0.000 0.446 497 N N 1.901 120.580 118.700 -0.034 0.000 2.699 497 N HA -0.107 4.633 4.740 -0.000 0.000 0.257 497 N C -2.506 172.939 175.510 -0.108 0.000 1.077 497 N CA 0.155 53.159 53.050 -0.077 0.000 0.702 497 N CB -1.468 36.950 38.487 -0.114 0.000 0.886 497 N HN 0.302 nan 8.380 nan 0.000 0.549 498 P HA 0.054 nan 4.420 nan 0.000 0.263 498 P C -0.439 176.818 177.300 -0.071 0.000 1.195 498 P CA 0.633 63.727 63.100 -0.011 0.000 0.762 498 P CB 0.698 32.462 31.700 0.107 0.000 0.799 499 T N 4.541 119.015 114.554 -0.134 0.000 2.928 499 T HA 0.421 4.771 4.350 -0.000 0.000 0.296 499 T C 0.195 174.954 174.700 0.099 0.000 1.000 499 T CA -0.459 61.589 62.100 -0.088 0.000 0.989 499 T CB 0.908 69.646 68.868 -0.217 0.000 1.005 499 T HN 0.288 nan 8.240 nan 0.000 0.442 500 M N 3.745 123.319 119.600 -0.043 0.000 2.249 500 M HA 0.576 5.056 4.480 -0.000 0.000 0.351 500 M C -0.591 175.726 176.300 0.029 0.000 1.180 500 M CA -0.459 54.739 55.300 -0.171 0.000 1.127 500 M CB 0.661 32.862 32.600 -0.664 0.000 1.546 500 M HN 0.823 nan 8.290 nan 0.000 0.461 501 Y N 0.602 120.901 120.300 -0.001 0.000 2.829 501 Y HA 0.894 5.444 4.550 -0.000 0.000 0.322 501 Y C -1.676 174.232 175.900 0.013 0.000 1.357 501 Y CA -1.575 56.530 58.100 0.008 0.000 1.081 501 Y CB 1.333 39.808 38.460 0.025 0.000 1.339 501 Y HN 0.548 nan 8.280 nan 0.000 0.469 502 I N 1.466 122.141 120.570 0.175 0.000 2.607 502 I HA 0.786 4.956 4.170 -0.000 0.000 0.290 502 I C -0.973 175.173 176.117 0.048 0.000 1.129 502 I CA -1.034 60.284 61.300 0.029 0.000 1.042 502 I CB 2.109 40.092 38.000 -0.029 0.000 1.242 502 I HN 0.983 nan 8.210 nan 0.000 0.421 503 A N 4.335 127.021 122.820 -0.224 0.000 2.594 503 A HA 0.846 5.166 4.320 -0.000 0.000 0.291 503 A C -1.381 175.803 177.584 -0.668 0.000 1.105 503 A CA -0.654 51.109 52.037 -0.457 0.000 0.694 503 A CB 1.992 20.635 19.000 -0.594 0.000 1.291 503 A HN 0.777 nan 8.150 nan 0.000 0.410 504 N N -0.510 117.955 118.700 -0.391 0.000 2.813 504 N HA 0.288 5.028 4.740 -0.000 0.000 0.320 504 N C 0.107 175.584 175.510 -0.055 0.000 1.315 504 N CA -0.391 52.538 53.050 -0.203 0.000 0.871 504 N CB -0.195 38.228 38.487 -0.108 0.000 1.241 504 N HN 0.437 nan 8.380 nan 0.000 0.602 505 N N -1.741 116.997 118.700 0.065 0.000 2.272 505 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 505 N C 0.789 176.343 175.510 0.073 0.000 1.014 505 N CA 2.231 55.354 53.050 0.122 0.000 0.870 505 N CB -0.283 38.245 38.487 0.067 0.000 0.975 505 N HN 0.855 nan 8.380 nan 0.000 0.433 506 T N -5.013 109.547 114.554 0.010 0.000 2.958 506 T HA 0.258 4.608 4.350 -0.000 0.000 0.256 506 T C 0.328 174.998 174.700 -0.051 0.000 0.983 506 T CA -0.310 61.786 62.100 -0.006 0.000 0.924 506 T CB 0.563 69.429 68.868 -0.003 0.000 1.136 506 T HN -0.040 nan 8.240 nan 0.000 0.506 507 Q N 0.009 119.758 119.800 -0.085 0.000 2.456 507 Q HA 0.604 4.944 4.340 -0.000 0.000 0.284 507 Q C -1.503 174.396 176.000 -0.169 0.000 1.061 507 Q CA -0.897 54.838 55.803 -0.113 0.000 0.799 507 Q CB 2.857 31.545 28.738 -0.083 0.000 1.445 507 Q HN 0.294 nan 8.270 nan 0.000 0.411 508 I N 3.147 123.614 120.570 -0.173 0.000 2.312 508 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 508 I C 1.045 177.100 176.117 -0.104 0.000 1.031 508 I CA 0.022 61.214 61.300 -0.179 0.000 1.293 508 I CB 0.614 38.496 38.000 -0.197 0.000 1.403 508 I HN 0.653 nan 8.210 nan 0.000 0.484 509 I N 1.986 122.500 120.570 -0.093 0.000 3.883 509 I HA 0.303 4.473 4.170 -0.000 0.000 0.326 509 I C 0.451 176.538 176.117 -0.051 0.000 1.283 509 I CA 0.226 61.482 61.300 -0.073 0.000 1.161 509 I CB 0.412 38.360 38.000 -0.086 0.000 1.012 509 I HN 0.462 nan 8.210 nan 0.000 0.421 510 S N 0.633 116.318 115.700 -0.026 0.000 2.583 510 S HA 0.561 5.031 4.470 -0.000 0.000 0.294 510 S C -0.753 173.868 174.600 0.035 0.000 1.121 510 S CA -0.000 58.193 58.200 -0.012 0.000 0.910 510 S CB 1.222 64.403 63.200 -0.031 0.000 1.102 510 S HN 0.607 nan 8.310 nan 0.000 0.451 511 S N 3.504 119.220 115.700 0.026 0.000 2.565 511 S HA 0.755 5.225 4.470 -0.000 0.000 0.269 511 S C -1.620 172.984 174.600 0.006 0.000 1.153 511 S CA -0.688 57.550 58.200 0.062 0.000 0.835 511 S CB 1.958 65.235 63.200 0.129 0.000 1.122 511 S HN 0.856 nan 8.310 nan 0.000 0.462 512 Q N 1.126 120.917 119.800 -0.014 0.000 2.371 512 Q HA 0.288 4.628 4.340 -0.000 0.000 0.244 512 Q C -1.387 174.572 176.000 -0.069 0.000 0.882 512 Q CA -0.194 55.577 55.803 -0.054 0.000 0.866 512 Q CB 1.847 30.535 28.738 -0.083 0.000 1.399 512 Q HN 0.846 nan 8.270 nan 0.000 0.432 513 Q N 2.925 122.687 119.800 -0.064 0.000 2.373 513 Q HA 0.240 4.580 4.340 -0.000 0.000 0.255 513 Q C -1.364 174.593 176.000 -0.072 0.000 0.980 513 Q CA -0.080 55.677 55.803 -0.076 0.000 0.882 513 Q CB 0.667 29.351 28.738 -0.091 0.000 1.249 513 Q HN 0.561 nan 8.270 nan 0.000 0.438 514 F N 3.284 123.115 119.950 -0.199 0.000 2.436 514 F HA 0.583 5.110 4.527 -0.000 0.000 0.340 514 F C 0.373 176.103 175.800 -0.118 0.000 1.113 514 F CA 0.916 58.787 58.000 -0.214 0.000 1.022 514 F CB 0.932 39.713 39.000 -0.365 0.000 1.128 514 F HN 0.807 nan 8.300 nan 0.000 0.466 515 G N 3.280 111.394 108.800 -1.144 0.000 2.741 515 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.222 515 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.222 515 G C -0.874 173.813 174.900 -0.354 0.000 1.364 515 G CA -0.524 44.115 45.100 -0.768 0.000 0.866 515 G HN 1.370 nan 8.290 nan 0.000 0.555 516 S N -0.703 114.855 115.700 -0.237 0.000 2.616 516 S HA 0.725 5.195 4.470 -0.000 0.000 0.277 516 S C 0.566 175.099 174.600 -0.111 0.000 1.234 516 S CA 0.265 58.374 58.200 -0.152 0.000 1.028 516 S CB 1.727 64.856 63.200 -0.120 0.000 0.988 516 S HN 1.630 nan 8.310 nan 0.000 0.522 517 S N 1.093 116.739 115.700 -0.089 0.000 2.573 517 S HA 0.416 4.886 4.470 -0.000 0.000 0.297 517 S C 1.497 176.063 174.600 -0.056 0.000 1.280 517 S CA 0.724 58.883 58.200 -0.069 0.000 1.061 517 S CB -0.120 63.045 63.200 -0.059 0.000 0.812 517 S HN 1.714 nan 8.310 nan 0.000 0.500 518 G N 1.860 110.633 108.800 -0.046 0.000 2.232 518 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 518 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 518 G C 0.057 174.940 174.900 -0.028 0.000 0.996 518 G CA 0.135 45.215 45.100 -0.034 0.000 0.626 518 G HN 0.747 nan 8.290 nan 0.000 0.509 519 Q N 2.233 122.013 119.800 -0.032 0.000 2.239 519 Q HA 0.405 4.745 4.340 -0.000 0.000 0.286 519 Q C 0.390 176.402 176.000 0.020 0.000 1.102 519 Q CA 0.549 56.346 55.803 -0.010 0.000 0.936 519 Q CB 0.023 28.756 28.738 -0.009 0.000 1.127 519 Q HN 0.577 nan 8.270 nan 0.000 0.380 520 E N 1.921 122.129 120.200 0.015 0.000 2.366 520 E HA 0.541 4.891 4.350 -0.000 0.000 0.266 520 E C -0.937 175.722 176.600 0.098 0.000 1.051 520 E CA 0.121 56.542 56.400 0.035 0.000 0.884 520 E CB 0.991 30.679 29.700 -0.020 0.000 1.006 520 E HN 0.763 nan 8.360 nan 0.000 0.417 521 A N 1.105 124.025 122.820 0.167 0.000 2.557 521 A HA 0.812 5.132 4.320 -0.000 0.000 0.292 521 A C -1.133 176.628 177.584 0.296 0.000 1.139 521 A CA 0.139 52.330 52.037 0.257 0.000 0.665 521 A CB 1.223 20.347 19.000 0.208 0.000 1.285 521 A HN 0.638 nan 8.150 nan 0.000 0.433 522 A N -1.181 121.802 122.820 0.273 0.000 2.497 522 A HA 0.719 5.039 4.320 -0.000 0.000 0.186 522 A C -0.830 176.957 177.584 0.339 0.000 1.242 522 A CA -0.167 51.988 52.037 0.196 0.000 1.625 522 A CB -0.410 18.521 19.000 -0.114 0.000 2.054 522 A HN 0.953 nan 8.150 nan 0.000 0.753 523 Y N 0.464 120.852 120.300 0.146 0.000 2.426 523 Y HA 0.458 5.008 4.550 -0.000 0.000 0.344 523 Y C 1.008 177.086 175.900 0.297 0.000 1.256 523 Y CA -0.369 57.884 58.100 0.255 0.000 1.451 523 Y CB -0.026 38.562 38.460 0.213 0.000 1.342 523 Y HN 0.661 nan 8.280 nan 0.000 0.600 524 G N 1.668 110.799 108.800 0.552 0.000 2.744 524 G HA2 0.329 4.289 3.960 -0.000 0.000 0.286 524 G HA3 0.329 4.289 3.960 -0.000 0.000 0.286 524 G C -1.661 173.495 174.900 0.427 0.000 1.497 524 G CA -0.611 44.750 45.100 0.436 0.000 1.070 524 G HN 0.696 nan 8.290 nan 0.000 0.539 525 H N 1.783 121.034 119.070 0.301 0.000 2.511 525 H HA 0.451 5.007 4.556 0.000 0.000 0.328 525 H C -0.486 174.954 175.328 0.187 0.000 1.044 525 H CA -0.242 55.985 56.048 0.299 0.000 1.212 525 H CB 2.145 32.065 29.762 0.263 0.000 1.428 525 H HN 0.357 nan 8.280 nan 0.000 0.483 526 T N 3.023 117.730 114.554 0.254 0.000 2.823 526 T HA 0.357 4.707 4.350 -0.000 0.000 0.279 526 T C -0.025 174.789 174.700 0.189 0.000 0.998 526 T CA -0.517 61.620 62.100 0.063 0.000 0.994 526 T CB 1.598 70.456 68.868 -0.018 0.000 0.960 526 T HN 0.509 nan 8.240 nan 0.000 0.448 527 T N 1.953 116.477 114.554 -0.051 0.000 2.971 527 T HA 0.510 4.860 4.350 -0.000 0.000 0.304 527 T C -0.714 173.671 174.700 -0.525 0.000 1.038 527 T CA -0.508 61.523 62.100 -0.115 0.000 1.007 527 T CB 0.725 69.751 68.868 0.264 0.000 1.055 527 T HN 0.723 nan 8.240 nan 0.000 0.451 528 c N 3.222 121.015 118.600 -1.344 0.000 2.614 528 c HA 1.002 5.572 4.570 -0.000 0.000 0.320 528 c C -0.855 172.982 174.090 -0.422 0.000 1.200 528 c CA -1.025 54.745 56.329 -0.932 0.000 1.700 528 c CB 0.218 42.128 42.510 -1.000 0.000 2.275 528 c HN 0.961 nan 8.230 nan 0.000 0.492 529 F N -0.688 119.068 119.950 -0.323 0.000 2.693 529 F HA 0.742 5.269 4.527 -0.000 0.000 0.309 529 F C -0.916 174.645 175.800 -0.398 0.000 1.129 529 F CA -1.173 56.696 58.000 -0.217 0.000 0.948 529 F CB 1.118 40.100 39.000 -0.030 0.000 1.315 529 F HN 0.620 nan 8.300 nan 0.000 0.447 530 R N 1.264 121.609 120.500 -0.259 0.000 2.589 530 R HA 0.353 4.693 4.340 -0.000 0.000 0.293 530 R C -1.549 174.899 176.300 0.247 0.000 0.963 530 R CA -0.583 55.401 56.100 -0.194 0.000 0.905 530 R CB 1.551 31.630 30.300 -0.368 0.000 1.144 530 R HN 0.852 nan 8.270 nan 0.000 0.459 531 D N 2.675 123.240 120.400 0.276 0.000 2.339 531 D HA 0.021 4.661 4.640 -0.000 0.000 0.241 531 D C 0.632 176.998 176.300 0.110 0.000 1.183 531 D CA -0.087 54.085 54.000 0.287 0.000 0.859 531 D CB 1.621 42.653 40.800 0.386 0.000 1.067 531 D HN 0.680 nan 8.370 nan 0.000 0.484 532 T N 0.254 114.842 114.554 0.057 0.000 3.160 532 T HA 0.111 4.461 4.350 -0.000 0.000 0.257 532 T C 1.536 176.244 174.700 0.012 0.000 1.147 532 T CA 0.389 62.512 62.100 0.040 0.000 1.064 532 T CB 0.308 69.203 68.868 0.045 0.000 0.949 532 T HN 0.315 nan 8.240 nan 0.000 0.526 533 G N 1.961 110.755 108.800 -0.011 0.000 2.497 533 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.210 533 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.210 533 G C 1.764 176.678 174.900 0.023 0.000 1.177 533 G CA 0.551 45.644 45.100 -0.013 0.000 0.822 533 G HN 0.635 nan 8.290 nan 0.000 0.550 534 S N -0.451 115.281 115.700 0.053 0.000 2.528 534 S HA 0.207 4.677 4.470 -0.000 0.000 0.219 534 S C 0.978 175.617 174.600 0.066 0.000 0.985 534 S CA 0.621 58.865 58.200 0.074 0.000 0.914 534 S CB 0.367 63.642 63.200 0.124 0.000 0.776 534 S HN 0.823 nan 8.310 nan 0.000 0.526 535 V N 1.817 121.767 119.914 0.060 0.000 5.658 535 V HA -0.211 3.909 4.120 -0.000 0.000 0.312 535 V C -0.182 175.928 176.094 0.026 0.000 0.480 535 V CA 1.622 63.949 62.300 0.044 0.000 0.684 535 V CB -2.645 29.206 31.823 0.047 0.000 0.426 535 V HN 0.843 nan 8.190 nan 0.000 1.241 536 M N -1.879 117.729 119.600 0.013 0.000 2.535 536 M HA 0.874 5.354 4.480 -0.000 0.000 0.314 536 M C -0.677 175.494 176.300 -0.214 0.000 1.153 536 M CA -0.955 54.288 55.300 -0.095 0.000 0.924 536 M CB 2.337 34.833 32.600 -0.173 0.000 1.710 536 M HN -0.125 nan 8.290 nan 0.000 0.451 537 V N 2.285 122.021 119.914 -0.296 0.000 2.439 537 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 537 V C -1.138 174.615 176.094 -0.568 0.000 1.039 537 V CA -0.274 61.780 62.300 -0.411 0.000 0.913 537 V CB 0.920 32.587 31.823 -0.260 0.000 0.983 537 V HN 0.676 nan 8.190 nan 0.000 0.460 538 Y N 2.217 122.169 120.300 -0.581 0.000 2.468 538 Y HA 0.643 5.193 4.550 0.000 0.000 0.342 538 Y C 0.164 175.640 175.900 -0.707 0.000 1.021 538 Y CA -0.535 57.220 58.100 -0.576 0.000 1.079 538 Y CB 2.013 40.072 38.460 -0.667 0.000 1.226 538 Y HN 0.561 nan 8.280 nan 0.000 0.460 539 c N 3.838 122.292 118.600 -0.244 0.000 2.563 539 c HA 0.603 5.173 4.570 -0.000 0.000 0.314 539 c C -0.377 173.554 174.090 -0.265 0.000 1.199 539 c CA -1.160 54.946 56.329 -0.371 0.000 1.564 539 c CB 1.112 43.349 42.510 -0.456 0.000 2.173 539 c HN 0.809 nan 8.230 nan 0.000 0.485 540 I N 2.503 122.878 120.570 -0.325 0.000 2.378 540 I HA 0.504 4.674 4.170 -0.000 0.000 0.291 540 I C -1.543 174.357 176.117 -0.362 0.000 0.992 540 I CA -0.356 60.815 61.300 -0.216 0.000 1.154 540 I CB 0.798 38.648 38.000 -0.250 0.000 1.315 540 I HN 0.696 nan 8.210 nan 0.000 0.448 541 Y N 7.526 127.819 120.300 -0.011 0.000 2.478 541 Y HA 0.442 4.992 4.550 -0.000 0.000 0.329 541 Y C 0.032 175.962 175.900 0.051 0.000 0.967 541 Y CA -0.748 57.386 58.100 0.056 0.000 1.255 541 Y CB 0.845 39.352 38.460 0.079 0.000 1.103 541 Y HN 0.361 nan 8.280 nan 0.000 0.497 542 I N 5.722 126.356 120.570 0.107 0.000 2.308 542 I HA 0.226 4.396 4.170 -0.000 0.000 0.293 542 I C -0.294 175.923 176.117 0.166 0.000 1.078 542 I CA 0.161 61.473 61.300 0.019 0.000 1.292 542 I CB 0.116 38.094 38.000 -0.036 0.000 1.423 542 I HN 0.476 nan 8.210 nan 0.000 0.493 543 I N 6.242 126.896 120.570 0.140 0.000 2.433 543 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 543 I C 0.070 176.268 176.117 0.136 0.000 1.001 543 I CA -0.709 60.716 61.300 0.208 0.000 1.119 543 I CB 1.770 39.947 38.000 0.295 0.000 1.289 543 I HN 0.489 nan 8.210 nan 0.000 0.438 544 E N 6.795 127.093 120.200 0.163 0.000 2.070 544 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 544 E C -0.976 175.810 176.600 0.310 0.000 1.104 544 E CA -0.181 56.303 56.400 0.141 0.000 0.876 544 E CB 0.816 30.476 29.700 -0.067 0.000 1.055 544 E HN 0.375 nan 8.360 nan 0.000 0.401 545 L N 2.285 123.672 121.223 0.274 0.000 2.309 545 L HA 0.231 4.571 4.340 -0.000 0.000 0.282 545 L C 0.484 177.445 176.870 0.151 0.000 1.036 545 L CA -0.654 54.331 54.840 0.241 0.000 0.806 545 L CB 1.779 43.947 42.059 0.183 0.000 1.220 545 L HN 0.391 nan 8.230 nan 0.000 0.429 546 S N 1.989 117.683 115.700 -0.011 0.000 2.510 546 S HA 0.280 4.750 4.470 -0.000 0.000 0.279 546 S C 0.009 174.520 174.600 -0.147 0.000 1.284 546 S CA -0.681 57.325 58.200 -0.324 0.000 1.059 546 S CB 0.347 63.356 63.200 -0.317 0.000 0.901 546 S HN 0.651 nan 8.310 nan 0.000 0.491 547 S N 3.345 118.943 115.700 -0.169 0.000 2.537 547 S HA 0.519 4.989 4.470 -0.000 0.000 0.301 547 S C 0.773 175.318 174.600 -0.092 0.000 1.092 547 S CA -0.224 57.927 58.200 -0.081 0.000 1.048 547 S CB 1.666 64.835 63.200 -0.051 0.000 1.053 547 S HN 0.834 nan 8.310 nan 0.000 0.501 548 S N 1.383 117.048 115.700 -0.057 0.000 2.503 548 S HA 0.121 4.591 4.470 -0.000 0.000 0.215 548 S C 1.144 175.719 174.600 -0.041 0.000 1.003 548 S CA -0.156 58.013 58.200 -0.053 0.000 0.910 548 S CB -0.445 62.731 63.200 -0.041 0.000 0.790 548 S HN 0.529 nan 8.310 nan 0.000 0.514 549 L N 0.823 122.025 121.223 -0.034 0.000 2.228 549 L HA 0.486 4.826 4.340 -0.000 0.000 0.196 549 L C 0.036 176.888 176.870 -0.030 0.000 1.162 549 L CA 1.080 55.904 54.840 -0.027 0.000 0.801 549 L CB -0.248 41.799 42.059 -0.021 0.000 0.983 549 L HN 0.257 nan 8.230 nan 0.000 0.471 550 L N 0.578 121.782 121.223 -0.032 0.000 2.313 550 L HA 0.559 4.899 4.340 -0.000 0.000 0.283 550 L C 0.217 177.066 176.870 -0.035 0.000 1.013 550 L CA 0.259 55.080 54.840 -0.031 0.000 0.816 550 L CB -0.065 41.975 42.059 -0.031 0.000 1.236 550 L HN 0.553 nan 8.230 nan 0.000 0.419 551 G N 3.543 112.325 108.800 -0.029 0.000 2.856 551 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.674 551 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.674 551 G C 0.495 175.368 174.900 -0.046 0.000 1.519 551 G CA -0.340 44.748 45.100 -0.022 0.000 0.940 551 G HN 0.604 nan 8.290 nan 0.000 0.564 552 Q N -0.773 119.013 119.800 -0.024 0.000 2.046 552 Q HA 0.098 4.438 4.340 -0.000 0.000 0.200 552 Q C 0.830 176.627 176.000 -0.338 0.000 0.975 552 Q CA 1.518 57.245 55.803 -0.126 0.000 0.836 552 Q CB 0.150 28.915 28.738 0.044 0.000 0.896 552 Q HN 0.503 nan 8.270 nan 0.000 0.428 553 F N -0.663 119.253 119.950 -0.057 0.000 2.593 553 F HA 0.393 4.920 4.527 -0.000 0.000 0.320 553 F C -0.038 175.710 175.800 -0.087 0.000 1.060 553 F CA -0.949 57.013 58.000 -0.063 0.000 0.940 553 F CB 1.791 40.743 39.000 -0.080 0.000 1.268 553 F HN -0.253 nan 8.300 nan 0.000 0.475 554 Q N 2.592 122.459 119.800 0.112 0.000 2.320 554 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 554 Q C -1.414 174.568 176.000 -0.031 0.000 1.023 554 Q CA -0.384 55.415 55.803 -0.007 0.000 0.744 554 Q CB 1.290 30.002 28.738 -0.044 0.000 1.246 554 Q HN 0.657 nan 8.270 nan 0.000 0.462 555 I N 4.316 124.835 120.570 -0.084 0.000 2.363 555 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 555 I C -0.431 175.527 176.117 -0.265 0.000 1.075 555 I CA -0.401 60.831 61.300 -0.115 0.000 1.333 555 I CB 0.891 38.851 38.000 -0.066 0.000 1.415 555 I HN 0.309 nan 8.210 nan 0.000 0.502 556 V N 9.215 128.922 119.914 -0.345 0.000 2.459 556 V HA 0.341 4.461 4.120 -0.000 0.000 0.295 556 V C -2.088 173.601 176.094 -0.675 0.000 1.029 556 V CA -1.519 60.405 62.300 -0.627 0.000 0.874 556 V CB 1.801 33.037 31.823 -0.978 0.000 0.985 556 V HN 0.584 nan 8.190 nan 0.000 0.438 557 P HA 0.315 nan 4.420 nan 0.000 0.234 557 P C -0.606 176.425 177.300 -0.449 0.000 1.799 557 P CA -0.394 62.329 63.100 -0.629 0.000 1.118 557 P CB -0.022 31.100 31.700 -0.963 0.000 1.827 558 F N 2.906 122.735 119.950 -0.201 0.000 2.506 558 F HA 0.253 4.780 4.527 -0.000 0.000 0.351 558 F C 1.287 177.074 175.800 -0.021 0.000 1.136 558 F CA 0.232 58.153 58.000 -0.131 0.000 1.298 558 F CB 0.582 39.502 39.000 -0.134 0.000 1.145 558 F HN 0.195 nan 8.300 nan 0.000 0.593 559 I N 3.645 124.329 120.570 0.191 0.000 2.656 559 I HA 0.615 4.785 4.170 -0.000 0.000 0.292 559 I C -1.072 175.123 176.117 0.129 0.000 1.144 559 I CA -0.606 60.787 61.300 0.155 0.000 1.038 559 I CB 1.730 39.780 38.000 0.084 0.000 1.244 559 I HN 0.849 nan 8.210 nan 0.000 0.420 560 R N 4.840 125.448 120.500 0.180 0.000 2.747 560 R HA 0.416 4.756 4.340 -0.000 0.000 0.272 560 R C -1.875 174.474 176.300 0.081 0.000 1.032 560 R CA -0.968 55.194 56.100 0.104 0.000 0.896 560 R CB 1.303 31.628 30.300 0.041 0.000 1.253 560 R HN 0.611 nan 8.270 nan 0.000 0.461 561 Q N 0.989 120.756 119.800 -0.054 0.000 2.214 561 Q HA 0.457 4.797 4.340 -0.000 0.000 0.251 561 Q C -1.260 174.662 176.000 -0.130 0.000 0.936 561 Q CA -0.916 54.736 55.803 -0.252 0.000 0.894 561 Q CB 2.080 30.598 28.738 -0.367 0.000 1.252 561 Q HN 0.449 nan 8.270 nan 0.000 0.448 562 V N 3.612 123.450 119.914 -0.128 0.000 2.294 562 V HA 0.231 4.351 4.120 -0.000 0.000 0.272 562 V C -0.451 175.611 176.094 -0.053 0.000 1.027 562 V CA -0.455 61.823 62.300 -0.038 0.000 0.823 562 V CB 1.124 32.988 31.823 0.069 0.000 1.030 562 V HN 0.845 nan 8.190 nan 0.000 0.457 563 T N 6.251 120.752 114.554 -0.089 0.000 2.856 563 T HA 0.403 4.753 4.350 -0.000 0.000 0.292 563 T C -0.098 174.515 174.700 -0.145 0.000 0.980 563 T CA -0.197 61.850 62.100 -0.088 0.000 1.091 563 T CB 1.209 70.034 68.868 -0.072 0.000 0.936 563 T HN 0.414 nan 8.240 nan 0.000 0.503 564 L N 3.524 124.676 121.223 -0.119 0.000 2.261 564 L HA 0.581 4.921 4.340 -0.000 0.000 0.289 564 L C 0.123 176.939 176.870 -0.090 0.000 1.059 564 L CA 0.335 55.072 54.840 -0.172 0.000 0.816 564 L CB 0.317 42.330 42.059 -0.077 0.000 1.191 564 L HN 0.874 nan 8.230 nan 0.000 0.431 565 S N 0.000 115.639 115.700 -0.101 0.000 2.498 565 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 565 S CA 0.000 58.162 58.200 -0.064 0.000 1.107 565 S CB 0.000 63.176 63.200 -0.039 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517