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 1re3_1_C DATA FIRST_RESID 106 DATA SEQUENCE SIRYLQEIYN SNNQKIVNLK EKVAQLEAQC QEPCKDTVQI HDITGKDcQD DATA SEQUENCE IANKGAKQSG LYFIKPLKAN QQFLVYcEID GSGNGWTVFQ KRLDGSVDFK DATA SEQUENCE KNWIQYKEGF GHLSPTGTTE FWLGNEKIHL ISTQSAIPYA LRVELEDWNG DATA SEQUENCE RTSTADYAMF KVGPEADKYR LTYAYFAGGD AGDAFDGFDF GDDPSDKFFT DATA SEQUENCE SHNGMQFSTW DNDNDKFEGN cAEQDGSGWW MNKcHAGHLN GVYYQGGTYS DATA SEQUENCE KASTPNGYDN GIIWATWKTR WYSMKKTTMK IIPFNRLT 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 106 S HA 0.000 nan 4.470 nan 0.000 0.327 106 S C 0.000 174.641 174.600 0.068 0.000 1.055 106 S CA 0.000 58.216 58.200 0.026 0.000 1.107 106 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 107 I N 1.682 122.286 120.570 0.056 0.000 2.353 107 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 107 I C 1.453 177.602 176.117 0.054 0.000 1.119 107 I CA 1.266 62.591 61.300 0.043 0.000 1.417 107 I CB -0.033 37.983 38.000 0.027 0.000 1.078 107 I HN 0.117 nan 8.210 nan 0.000 0.421 108 R N -1.443 119.104 120.500 0.077 0.000 2.596 108 R HA 0.116 4.456 4.340 -0.000 0.000 0.369 108 R C 1.130 177.486 176.300 0.093 0.000 1.042 108 R CA -0.178 55.960 56.100 0.063 0.000 1.120 108 R CB -1.355 28.968 30.300 0.038 0.000 1.353 108 R HN 0.216 nan 8.270 nan 0.000 0.564 109 Y N 0.595 120.901 120.300 0.009 0.000 2.314 109 Y HA 0.158 4.708 4.550 0.000 0.000 0.294 109 Y C 0.795 176.711 175.900 0.026 0.000 1.119 109 Y CA 1.069 59.179 58.100 0.016 0.000 1.179 109 Y CB 0.366 38.834 38.460 0.013 0.000 1.025 109 Y HN -0.003 nan 8.280 nan 0.000 0.541 110 L N 0.970 122.328 121.223 0.225 0.000 2.672 110 L HA 0.075 4.414 4.340 -0.000 0.000 0.236 110 L C 1.278 178.191 176.870 0.072 0.000 1.186 110 L CA 0.662 55.593 54.840 0.153 0.000 0.977 110 L CB -0.307 41.848 42.059 0.159 0.000 1.203 110 L HN 0.185 nan 8.230 nan 0.000 0.448 111 Q N -0.925 118.893 119.800 0.029 0.000 2.349 111 Q HA 0.062 4.402 4.340 -0.000 0.000 0.209 111 Q C 1.842 177.866 176.000 0.039 0.000 0.920 111 Q CA 0.776 56.586 55.803 0.011 0.000 0.901 111 Q CB 0.428 29.163 28.738 -0.005 0.000 1.021 111 Q HN 0.464 nan 8.270 nan 0.000 0.519 112 E N -0.253 119.930 120.200 -0.028 0.000 2.127 112 E HA 0.061 4.411 4.350 -0.000 0.000 0.191 112 E C 1.516 178.086 176.600 -0.050 0.000 0.964 112 E CA 0.349 56.717 56.400 -0.054 0.000 0.832 112 E CB 0.180 29.797 29.700 -0.139 0.000 0.790 112 E HN 0.254 nan 8.360 nan 0.000 0.465 113 I N 1.059 121.570 120.570 -0.099 0.000 2.850 113 I HA -0.238 3.932 4.170 -0.000 0.000 0.266 113 I C 2.042 178.179 176.117 0.033 0.000 1.257 113 I CA 0.973 62.240 61.300 -0.055 0.000 1.465 113 I CB -0.147 37.830 38.000 -0.039 0.000 1.091 113 I HN 0.186 nan 8.210 nan 0.000 0.467 114 Y N 1.640 121.914 120.300 -0.043 0.000 2.239 114 Y HA -0.004 4.546 4.550 -0.000 0.000 0.293 114 Y C 2.285 178.171 175.900 -0.024 0.000 1.126 114 Y CA 1.123 59.210 58.100 -0.022 0.000 1.128 114 Y CB -0.257 38.196 38.460 -0.011 0.000 1.066 114 Y HN 0.036 nan 8.280 nan 0.000 0.516 115 N N 0.347 119.192 118.700 0.243 0.000 2.309 115 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 115 N C 1.994 177.489 175.510 -0.026 0.000 1.018 115 N CA 1.475 54.592 53.050 0.111 0.000 0.876 115 N CB -0.358 38.224 38.487 0.160 0.000 0.972 115 N HN 0.564 nan 8.380 nan 0.000 0.434 116 S N 1.632 117.312 115.700 -0.033 0.000 2.357 116 S HA -0.127 4.343 4.470 -0.000 0.000 0.221 116 S C 1.533 176.089 174.600 -0.074 0.000 1.031 116 S CA 1.147 59.317 58.200 -0.050 0.000 0.982 116 S CB -0.729 62.440 63.200 -0.051 0.000 0.853 116 S HN 0.597 nan 8.310 nan 0.000 0.458 117 N N 1.098 119.738 118.700 -0.100 0.000 2.446 117 N HA -0.038 4.702 4.740 -0.000 0.000 0.179 117 N C 1.654 177.074 175.510 -0.150 0.000 1.054 117 N CA 0.801 53.787 53.050 -0.107 0.000 0.905 117 N CB -0.448 37.984 38.487 -0.093 0.000 0.973 117 N HN 0.510 nan 8.380 nan 0.000 0.448 118 N N 0.789 119.351 118.700 -0.230 0.000 2.331 118 N HA -0.207 4.532 4.740 -0.000 0.000 0.180 118 N C 1.879 177.306 175.510 -0.139 0.000 1.019 118 N CA 0.762 53.653 53.050 -0.265 0.000 0.881 118 N CB 0.045 38.268 38.487 -0.440 0.000 0.972 118 N HN 0.287 nan 8.380 nan 0.000 0.435 119 Q N 0.857 120.596 119.800 -0.101 0.000 2.096 119 Q HA 0.018 4.358 4.340 -0.000 0.000 0.197 119 Q C 1.577 177.546 176.000 -0.053 0.000 0.964 119 Q CA 1.539 57.307 55.803 -0.059 0.000 0.838 119 Q CB -0.011 28.702 28.738 -0.042 0.000 0.906 119 Q HN 0.226 nan 8.270 nan 0.000 0.444 120 K N 0.090 120.455 120.400 -0.058 0.000 2.103 120 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 120 K C 2.039 178.612 176.600 -0.046 0.000 1.048 120 K CA 1.576 57.835 56.287 -0.046 0.000 0.930 120 K CB -0.253 32.219 32.500 -0.047 0.000 0.716 120 K HN 0.296 nan 8.250 nan 0.000 0.444 121 I N 0.588 121.123 120.570 -0.059 0.000 2.179 121 I HA -0.285 3.884 4.170 -0.000 0.000 0.242 121 I C 2.142 178.235 176.117 -0.040 0.000 1.088 121 I CA 1.134 62.403 61.300 -0.052 0.000 1.357 121 I CB -0.309 37.650 38.000 -0.069 0.000 1.051 121 I HN -0.054 nan 8.210 nan 0.000 0.409 122 V N 1.044 120.933 119.914 -0.041 0.000 2.392 122 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 122 V C 2.121 178.201 176.094 -0.023 0.000 1.059 122 V CA 1.881 64.164 62.300 -0.029 0.000 1.051 122 V CB -0.894 30.913 31.823 -0.027 0.000 0.658 122 V HN 0.473 nan 8.190 nan 0.000 0.455 123 N N -0.033 118.652 118.700 -0.025 0.000 2.171 123 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 123 N C 1.793 177.292 175.510 -0.019 0.000 1.021 123 N CA 1.323 54.361 53.050 -0.020 0.000 0.854 123 N CB -0.221 38.254 38.487 -0.020 0.000 0.994 123 N HN 0.399 nan 8.380 nan 0.000 0.426 124 L N 2.269 123.479 121.223 -0.022 0.000 2.017 124 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 124 L C 1.959 178.819 176.870 -0.017 0.000 1.073 124 L CA 1.756 56.584 54.840 -0.019 0.000 0.745 124 L CB -0.517 41.528 42.059 -0.022 0.000 0.894 124 L HN -0.051 nan 8.230 nan 0.000 0.432 125 K N -0.587 119.802 120.400 -0.018 0.000 2.173 125 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 125 K C 1.991 178.583 176.600 -0.012 0.000 1.046 125 K CA 1.553 57.831 56.287 -0.015 0.000 0.929 125 K CB -0.153 32.337 32.500 -0.016 0.000 0.720 125 K HN 0.392 nan 8.250 nan 0.000 0.453 126 E N 0.821 121.014 120.200 -0.012 0.000 2.107 126 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 126 E C 1.753 178.348 176.600 -0.009 0.000 0.982 126 E CA 1.095 57.489 56.400 -0.010 0.000 0.809 126 E CB 0.083 29.777 29.700 -0.010 0.000 0.756 126 E HN 0.300 nan 8.360 nan 0.000 0.459 127 K N 0.376 120.770 120.400 -0.010 0.000 2.097 127 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 127 K C 2.204 178.799 176.600 -0.009 0.000 1.049 127 K CA 0.911 57.193 56.287 -0.009 0.000 0.933 127 K CB -0.068 32.426 32.500 -0.010 0.000 0.717 127 K HN -0.065 nan 8.250 nan 0.000 0.442 128 V N 1.530 121.438 119.914 -0.009 0.000 2.343 128 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 128 V C 2.364 178.454 176.094 -0.007 0.000 1.051 128 V CA 2.069 64.364 62.300 -0.008 0.000 1.036 128 V CB -0.649 31.169 31.823 -0.009 0.000 0.654 128 V HN 0.369 nan 8.190 nan 0.000 0.451 129 A N -1.122 121.694 122.820 -0.007 0.000 1.972 129 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 129 A C 2.165 179.746 177.584 -0.006 0.000 1.169 129 A CA 1.868 53.901 52.037 -0.006 0.000 0.635 129 A CB -0.432 18.564 19.000 -0.006 0.000 0.810 129 A HN 0.634 nan 8.150 nan 0.000 0.446 130 Q N -1.399 118.398 119.800 -0.006 0.000 2.172 130 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 130 Q C 2.008 178.004 176.000 -0.006 0.000 0.964 130 Q CA 1.151 56.951 55.803 -0.006 0.000 0.855 130 Q CB -0.188 28.547 28.738 -0.006 0.000 0.918 130 Q HN 0.597 nan 8.270 nan 0.000 0.444 131 L N 1.068 122.287 121.223 -0.006 0.000 2.109 131 L HA -0.141 4.198 4.340 -0.000 0.000 0.207 131 L C 2.116 178.983 176.870 -0.005 0.000 1.086 131 L CA 1.777 56.613 54.840 -0.006 0.000 0.760 131 L CB -0.373 41.683 42.059 -0.006 0.000 0.910 131 L HN 0.167 nan 8.230 nan 0.000 0.437 132 E N -0.298 119.899 120.200 -0.005 0.000 2.038 132 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 132 E C 2.107 178.704 176.600 -0.005 0.000 1.000 132 E CA 1.444 57.842 56.400 -0.005 0.000 0.803 132 E CB -0.250 29.447 29.700 -0.005 0.000 0.750 132 E HN 0.588 nan 8.360 nan 0.000 0.448 133 A N 0.663 123.480 122.820 -0.005 0.000 1.978 133 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 133 A C 2.118 179.699 177.584 -0.005 0.000 1.170 133 A CA 1.333 53.368 52.037 -0.005 0.000 0.636 133 A CB -0.399 18.598 19.000 -0.005 0.000 0.810 133 A HN 0.305 nan 8.150 nan 0.000 0.448 134 Q N -1.291 118.507 119.800 -0.005 0.000 2.378 134 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 134 Q C 0.489 176.486 176.000 -0.005 0.000 0.954 134 Q CA 0.761 56.561 55.803 -0.005 0.000 0.901 134 Q CB -0.120 28.614 28.738 -0.005 0.000 0.981 134 Q HN 0.665 nan 8.270 nan 0.000 0.483 135 C N 1.206 120.504 119.300 -0.005 0.000 2.513 135 C HA 0.296 4.756 4.460 -0.000 0.000 0.281 135 C C 1.436 176.423 174.990 -0.004 0.000 1.501 135 C CA -0.619 58.396 59.018 -0.004 0.000 1.749 135 C CB -0.208 27.530 27.740 -0.004 0.000 2.955 135 C HN 0.315 nan 8.230 nan 0.000 0.532 136 Q N 0.387 120.185 119.800 -0.004 0.000 2.373 136 Q HA 0.159 4.499 4.340 -0.000 0.000 0.210 136 Q C 0.725 176.723 176.000 -0.004 0.000 0.913 136 Q CA 0.686 56.486 55.803 -0.004 0.000 0.911 136 Q CB 0.330 29.066 28.738 -0.004 0.000 1.040 136 Q HN 0.628 nan 8.270 nan 0.000 0.521 137 E N 2.436 122.633 120.200 -0.005 0.000 2.343 137 E HA 0.228 4.578 4.350 -0.000 0.000 0.269 137 E C -1.797 174.800 176.600 -0.005 0.000 1.047 137 E CA -1.334 55.063 56.400 -0.006 0.000 0.874 137 E CB 0.720 30.416 29.700 -0.007 0.000 1.033 137 E HN 0.142 nan 8.360 nan 0.000 0.409 138 P HA 0.244 nan 4.420 nan 0.000 0.278 138 P C -0.319 176.977 177.300 -0.007 0.000 1.266 138 P CA -0.526 62.571 63.100 -0.005 0.000 0.807 138 P CB 0.642 32.340 31.700 -0.005 0.000 1.094 139 C N 1.073 120.369 119.300 -0.007 0.000 2.665 139 C HA 0.106 4.566 4.460 -0.000 0.000 0.416 139 C C 1.043 176.027 174.990 -0.010 0.000 1.305 139 C CA -0.158 58.855 59.018 -0.008 0.000 1.903 139 C CB -1.013 26.723 27.740 -0.008 0.000 2.704 139 C HN 0.416 nan 8.230 nan 0.000 0.629 140 K N 2.449 122.842 120.400 -0.012 0.000 2.297 140 K HA 0.145 4.465 4.320 -0.000 0.000 0.286 140 K C -0.262 176.328 176.600 -0.016 0.000 1.053 140 K CA 0.252 56.531 56.287 -0.015 0.000 0.940 140 K CB 0.494 32.985 32.500 -0.015 0.000 1.019 140 K HN 0.699 nan 8.250 nan 0.000 0.475 141 D N 2.071 122.460 120.400 -0.019 0.000 2.274 141 D HA 0.043 4.683 4.640 -0.000 0.000 0.239 141 D C 0.907 177.191 176.300 -0.026 0.000 1.104 141 D CA -0.111 53.877 54.000 -0.021 0.000 0.840 141 D CB 1.265 42.053 40.800 -0.020 0.000 1.100 141 D HN 0.598 nan 8.370 nan 0.000 0.477 142 T N 0.180 114.720 114.554 -0.024 0.000 2.881 142 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 142 T C 1.235 175.917 174.700 -0.031 0.000 1.068 142 T CA 0.547 62.632 62.100 -0.025 0.000 1.131 142 T CB -0.241 68.616 68.868 -0.017 0.000 0.871 142 T HN 0.217 nan 8.240 nan 0.000 0.479 143 V N 0.749 120.644 119.914 -0.031 0.000 2.432 143 V HA 0.588 4.707 4.120 -0.000 0.000 0.275 143 V C -0.981 175.077 176.094 -0.060 0.000 1.043 143 V CA -0.829 61.449 62.300 -0.038 0.000 0.925 143 V CB 1.039 32.847 31.823 -0.026 0.000 0.985 143 V HN 0.508 nan 8.190 nan 0.000 0.466 144 Q N 4.966 124.710 119.800 -0.094 0.000 2.421 144 Q HA 0.629 4.969 4.340 -0.000 0.000 0.280 144 Q C -1.269 174.620 176.000 -0.185 0.000 1.085 144 Q CA -0.835 54.888 55.803 -0.133 0.000 0.807 144 Q CB 3.221 31.859 28.738 -0.167 0.000 1.405 144 Q HN 0.813 nan 8.270 nan 0.000 0.419 145 I N 1.843 122.303 120.570 -0.184 0.000 2.336 145 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 145 I C -0.275 175.693 176.117 -0.250 0.000 0.991 145 I CA -0.682 60.488 61.300 -0.218 0.000 1.227 145 I CB 0.808 38.694 38.000 -0.191 0.000 1.366 145 I HN 0.553 nan 8.210 nan 0.000 0.466 146 H N 4.160 122.972 119.070 -0.430 0.000 2.836 146 H HA -0.004 4.552 4.556 -0.000 0.000 0.368 146 H C 0.606 175.820 175.328 -0.191 0.000 1.164 146 H CA 0.466 56.263 56.048 -0.419 0.000 1.425 146 H CB 0.766 29.974 29.762 -0.923 0.000 1.414 146 H HN 0.521 nan 8.280 nan 0.000 0.614 147 D N 1.048 121.470 120.400 0.037 0.000 2.149 147 D HA -0.028 4.611 4.640 -0.000 0.000 0.206 147 D C 0.650 177.027 176.300 0.128 0.000 0.967 147 D CA 0.615 54.660 54.000 0.075 0.000 0.848 147 D CB 0.283 41.111 40.800 0.046 0.000 0.998 147 D HN 0.380 nan 8.370 nan 0.000 0.474 148 I N 1.628 122.296 120.570 0.164 0.000 2.880 148 I HA -0.089 4.080 4.170 -0.000 0.000 0.296 148 I C 0.486 176.735 176.117 0.221 0.000 1.220 148 I CA 0.824 62.229 61.300 0.176 0.000 1.435 148 I CB 0.469 38.586 38.000 0.195 0.000 1.339 148 I HN -0.127 nan 8.210 nan 0.000 0.583 149 T N 3.245 117.876 114.554 0.128 0.000 2.841 149 T HA 0.797 5.147 4.350 -0.000 0.000 0.296 149 T C -0.069 174.648 174.700 0.028 0.000 1.166 149 T CA -0.542 61.620 62.100 0.104 0.000 1.007 149 T CB 2.176 71.102 68.868 0.097 0.000 1.253 149 T HN 0.942 nan 8.240 nan 0.000 0.511 150 G N 0.022 108.818 108.800 -0.006 0.000 2.427 150 G HA2 0.396 4.356 3.960 -0.000 0.000 0.306 150 G HA3 0.396 4.356 3.960 -0.000 0.000 0.306 150 G C -0.294 174.575 174.900 -0.051 0.000 1.280 150 G CA -0.698 44.383 45.100 -0.032 0.000 0.837 150 G HN 0.534 nan 8.290 nan 0.000 0.482 151 K N -0.325 120.051 120.400 -0.040 0.000 2.217 151 K HA 0.175 4.495 4.320 -0.000 0.000 0.202 151 K C 0.240 176.819 176.600 -0.035 0.000 1.051 151 K CA 1.786 58.054 56.287 -0.033 0.000 0.952 151 K CB 0.025 32.525 32.500 -0.001 0.000 0.736 151 K HN 0.657 nan 8.250 nan 0.000 0.453 152 D N -3.578 116.802 120.400 -0.033 0.000 2.713 152 D HA 0.066 4.706 4.640 -0.000 0.000 0.306 152 D C 0.261 176.516 176.300 -0.074 0.000 1.299 152 D CA -0.765 53.222 54.000 -0.021 0.000 0.823 152 D CB 0.164 41.020 40.800 0.093 0.000 1.353 152 D HN -0.211 nan 8.370 nan 0.000 0.447 153 c N -0.879 117.673 118.600 -0.080 0.000 2.422 153 c HA -0.067 4.503 4.570 -0.000 0.000 0.279 153 c C 2.339 176.319 174.090 -0.183 0.000 1.305 153 c CA 1.290 57.510 56.329 -0.182 0.000 1.757 153 c CB -1.032 41.391 42.510 -0.146 0.000 1.962 153 c HN 0.654 nan 8.230 nan 0.000 0.499 154 Q N 1.545 121.273 119.800 -0.119 0.000 2.079 154 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 154 Q C 1.696 177.619 176.000 -0.128 0.000 0.974 154 Q CA 2.046 57.762 55.803 -0.144 0.000 0.840 154 Q CB -0.583 28.067 28.738 -0.146 0.000 0.898 154 Q HN 0.634 nan 8.270 nan 0.000 0.430 155 D N -0.610 119.732 120.400 -0.097 0.000 2.144 155 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 155 D C 1.674 177.915 176.300 -0.097 0.000 0.984 155 D CA 1.147 55.098 54.000 -0.082 0.000 0.834 155 D CB -0.112 40.656 40.800 -0.055 0.000 0.955 155 D HN 0.419 nan 8.370 nan 0.000 0.465 156 I N 0.076 120.562 120.570 -0.139 0.000 2.353 156 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 156 I C 2.380 178.388 176.117 -0.182 0.000 1.119 156 I CA 0.859 62.055 61.300 -0.173 0.000 1.417 156 I CB -0.223 37.586 38.000 -0.318 0.000 1.078 156 I HN 0.027 nan 8.210 nan 0.000 0.421 157 A N 0.957 123.656 122.820 -0.201 0.000 1.969 157 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 157 A C 1.968 179.486 177.584 -0.111 0.000 1.169 157 A CA 1.582 53.519 52.037 -0.167 0.000 0.635 157 A CB -0.546 18.353 19.000 -0.168 0.000 0.810 157 A HN 0.395 nan 8.150 nan 0.000 0.445 158 N N 0.241 118.880 118.700 -0.102 0.000 2.309 158 N HA -0.089 4.651 4.740 -0.000 0.000 0.182 158 N C 1.187 176.663 175.510 -0.056 0.000 1.018 158 N CA 1.113 54.117 53.050 -0.077 0.000 0.876 158 N CB -0.270 38.172 38.487 -0.076 0.000 0.972 158 N HN 0.553 nan 8.380 nan 0.000 0.434 159 K N -0.198 120.170 120.400 -0.054 0.000 2.525 159 K HA 0.120 4.440 4.320 -0.000 0.000 0.192 159 K C 0.731 177.320 176.600 -0.019 0.000 1.029 159 K CA 0.434 56.703 56.287 -0.030 0.000 1.029 159 K CB 0.299 32.786 32.500 -0.020 0.000 0.814 159 K HN 0.256 nan 8.250 nan 0.000 0.503 160 G N 0.605 109.387 108.800 -0.030 0.000 2.184 160 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.206 160 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.206 160 G C 0.183 175.079 174.900 -0.006 0.000 0.995 160 G CA -0.193 44.898 45.100 -0.015 0.000 0.651 160 G HN 0.410 nan 8.290 nan 0.000 0.511 161 A N 0.083 122.891 122.820 -0.020 0.000 2.498 161 A HA 0.623 4.943 4.320 -0.000 0.000 0.239 161 A C 1.238 178.803 177.584 -0.032 0.000 1.068 161 A CA 0.966 53.000 52.037 -0.004 0.000 0.766 161 A CB 0.415 19.367 19.000 -0.079 0.000 1.003 161 A HN 0.185 nan 8.150 nan 0.000 0.497 162 K N 0.631 121.033 120.400 0.003 0.000 2.450 162 K HA 0.115 4.435 4.320 -0.000 0.000 0.206 162 K C -0.129 176.472 176.600 0.002 0.000 1.148 162 K CA 0.521 56.806 56.287 -0.004 0.000 1.014 162 K CB 0.696 33.205 32.500 0.015 0.000 0.966 162 K HN 0.857 nan 8.250 nan 0.000 0.566 163 Q N 1.000 120.808 119.800 0.013 0.000 2.293 163 Q HA 0.353 4.693 4.340 -0.000 0.000 0.261 163 Q C -0.655 175.330 176.000 -0.025 0.000 0.960 163 Q CA -0.405 55.410 55.803 0.021 0.000 0.882 163 Q CB 1.980 30.782 28.738 0.106 0.000 1.275 163 Q HN -0.149 nan 8.270 nan 0.000 0.445 164 S N 1.008 116.697 115.700 -0.018 0.000 2.562 164 S HA 0.626 5.096 4.470 -0.000 0.000 0.281 164 S C 0.265 174.838 174.600 -0.044 0.000 1.333 164 S CA 0.247 58.386 58.200 -0.102 0.000 1.052 164 S CB 0.749 63.931 63.200 -0.030 0.000 0.884 164 S HN 0.822 nan 8.310 nan 0.000 0.506 165 G N 1.149 109.854 108.800 -0.158 0.000 2.323 165 G HA2 0.280 4.239 3.960 -0.000 0.000 0.291 165 G HA3 0.280 4.239 3.960 -0.000 0.000 0.291 165 G C -1.870 173.059 174.900 0.048 0.000 1.278 165 G CA -1.108 44.011 45.100 0.032 0.000 0.860 165 G HN 0.601 nan 8.290 nan 0.000 0.504 166 L N 0.615 121.864 121.223 0.044 0.000 2.290 166 L HA 0.644 4.984 4.340 -0.000 0.000 0.284 166 L C -0.867 175.882 176.870 -0.202 0.000 1.078 166 L CA -0.457 54.368 54.840 -0.026 0.000 0.815 166 L CB 0.646 42.653 42.059 -0.086 0.000 1.162 166 L HN 0.497 nan 8.230 nan 0.000 0.435 167 Y N 1.721 121.907 120.300 -0.190 0.000 2.562 167 Y HA 0.484 5.034 4.550 -0.000 0.000 0.345 167 Y C -0.395 175.349 175.900 -0.260 0.000 1.045 167 Y CA -0.858 57.136 58.100 -0.177 0.000 1.028 167 Y CB 1.704 40.085 38.460 -0.132 0.000 1.297 167 Y HN 0.217 nan 8.280 nan 0.000 0.463 168 F N 3.277 123.273 119.950 0.076 0.000 2.385 168 F HA 0.648 5.175 4.527 -0.000 0.000 0.336 168 F C 0.285 176.009 175.800 -0.127 0.000 1.100 168 F CA -0.935 57.035 58.000 -0.050 0.000 1.116 168 F CB 0.992 39.965 39.000 -0.045 0.000 1.166 168 F HN 0.283 nan 8.300 nan 0.000 0.511 169 I N -0.095 120.394 120.570 -0.136 0.000 2.934 169 I HA 0.628 4.798 4.170 -0.000 0.000 0.306 169 I C -1.284 174.578 176.117 -0.425 0.000 1.110 169 I CA -1.068 60.069 61.300 -0.271 0.000 1.019 169 I CB 2.546 40.340 38.000 -0.342 0.000 1.227 169 I HN 0.532 nan 8.210 nan 0.000 0.434 170 K N 4.521 124.772 120.400 -0.248 0.000 2.803 170 K HA 0.507 4.827 4.320 -0.000 0.000 0.229 170 K C -2.833 173.724 176.600 -0.072 0.000 1.084 170 K CA -1.355 54.833 56.287 -0.165 0.000 1.063 170 K CB 1.449 33.897 32.500 -0.085 0.000 1.254 170 K HN 0.385 nan 8.250 nan 0.000 0.551 171 P HA -0.036 nan 4.420 nan 0.000 0.267 171 P C 0.904 178.215 177.300 0.019 0.000 1.201 171 P CA -0.106 63.002 63.100 0.013 0.000 0.775 171 P CB 0.684 32.416 31.700 0.054 0.000 0.854 172 L N 1.737 122.969 121.223 0.015 0.000 1.991 172 L HA -0.279 4.061 4.340 -0.000 0.000 0.221 172 L C 1.887 178.768 176.870 0.019 0.000 1.079 172 L CA 2.005 56.853 54.840 0.013 0.000 0.778 172 L CB -0.911 41.155 42.059 0.013 0.000 0.893 172 L HN 0.449 nan 8.230 nan 0.000 0.437 173 K N 0.054 120.466 120.400 0.020 0.000 2.525 173 K HA 0.158 4.477 4.320 -0.000 0.000 0.192 173 K C 0.621 177.247 176.600 0.044 0.000 1.029 173 K CA 0.140 56.443 56.287 0.026 0.000 1.029 173 K CB -0.046 32.463 32.500 0.015 0.000 0.814 173 K HN 0.287 nan 8.250 nan 0.000 0.503 174 A N 2.336 125.193 122.820 0.062 0.000 2.327 174 A HA 0.152 4.472 4.320 -0.000 0.000 0.283 174 A C 0.012 177.641 177.584 0.074 0.000 1.127 174 A CA -0.699 51.397 52.037 0.098 0.000 0.810 174 A CB 0.132 19.244 19.000 0.187 0.000 1.066 174 A HN 0.355 nan 8.150 nan 0.000 0.492 175 N N 0.557 119.300 118.700 0.071 0.000 2.376 175 N HA 0.409 5.149 4.740 -0.000 0.000 0.249 175 N C -0.530 175.010 175.510 0.049 0.000 1.140 175 N CA -0.251 52.828 53.050 0.049 0.000 0.870 175 N CB 0.762 39.273 38.487 0.039 0.000 1.124 175 N HN 0.518 nan 8.380 nan 0.000 0.505 176 Q N 0.553 120.396 119.800 0.073 0.000 2.774 176 Q HA 0.064 4.404 4.340 -0.000 0.000 0.232 176 Q C -1.609 174.467 176.000 0.127 0.000 0.985 176 Q CA -0.534 55.310 55.803 0.069 0.000 1.058 176 Q CB 0.879 29.660 28.738 0.073 0.000 1.789 176 Q HN 0.453 nan 8.270 nan 0.000 0.487 177 Q N 2.169 121.996 119.800 0.046 0.000 2.443 177 Q HA 0.714 5.054 4.340 -0.000 0.000 0.232 177 Q C -0.585 175.548 176.000 0.221 0.000 1.026 177 Q CA -0.345 55.469 55.803 0.018 0.000 0.924 177 Q CB 0.788 29.453 28.738 -0.121 0.000 1.256 177 Q HN 0.515 nan 8.270 nan 0.000 0.519 178 F N -2.021 118.055 119.950 0.211 0.000 2.668 178 F HA 0.554 5.081 4.527 -0.000 0.000 0.309 178 F C -1.699 174.277 175.800 0.293 0.000 1.117 178 F CA -1.713 56.440 58.000 0.255 0.000 0.951 178 F CB 0.740 39.796 39.000 0.093 0.000 1.323 178 F HN 0.490 nan 8.300 nan 0.000 0.451 179 L N 3.210 124.634 121.223 0.336 0.000 2.417 179 L HA 0.780 5.120 4.340 -0.000 0.000 0.268 179 L C -0.353 176.548 176.870 0.052 0.000 1.158 179 L CA -0.276 54.515 54.840 -0.081 0.000 0.819 179 L CB 1.434 43.344 42.059 -0.248 0.000 1.112 179 L HN 0.843 nan 8.230 nan 0.000 0.458 180 V N 1.685 121.575 119.914 -0.039 0.000 3.178 180 V HA 0.439 4.559 4.120 -0.000 0.000 0.302 180 V C -1.503 174.610 176.094 0.030 0.000 1.262 180 V CA -1.072 61.242 62.300 0.024 0.000 1.030 180 V CB 1.338 33.216 31.823 0.091 0.000 1.074 180 V HN 0.678 nan 8.190 nan 0.000 0.438 181 Y N 1.937 122.202 120.300 -0.059 0.000 2.341 181 Y HA 0.736 5.286 4.550 -0.000 0.000 0.340 181 Y C -0.069 175.882 175.900 0.086 0.000 0.997 181 Y CA -0.564 57.544 58.100 0.012 0.000 1.149 181 Y CB 0.866 39.327 38.460 0.003 0.000 1.171 181 Y HN 0.977 nan 8.280 nan 0.000 0.494 182 c N 6.075 124.359 118.600 -0.526 0.000 2.358 182 c HA 0.361 4.931 4.570 -0.000 0.000 0.342 182 c C -0.121 173.583 174.090 -0.643 0.000 1.234 182 c CA -0.758 55.305 56.329 -0.443 0.000 1.969 182 c CB 0.665 42.877 42.510 -0.496 0.000 2.346 182 c HN 0.848 nan 8.230 nan 0.000 0.525 183 E N 2.963 123.028 120.200 -0.225 0.000 2.114 183 E HA 0.530 4.880 4.350 -0.000 0.000 0.266 183 E C -1.280 175.343 176.600 0.037 0.000 0.896 183 E CA -0.191 56.175 56.400 -0.057 0.000 0.750 183 E CB 0.578 30.370 29.700 0.154 0.000 1.121 183 E HN 0.639 nan 8.360 nan 0.000 0.413 184 I N 4.801 125.350 120.570 -0.036 0.000 2.362 184 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 184 I C -0.089 176.042 176.117 0.023 0.000 0.994 184 I CA -0.942 60.343 61.300 -0.026 0.000 1.158 184 I CB 1.253 39.186 38.000 -0.111 0.000 1.315 184 I HN 0.550 nan 8.210 nan 0.000 0.451 185 D N 4.321 124.755 120.400 0.058 0.000 2.478 185 D HA 0.211 4.851 4.640 -0.000 0.000 0.263 185 D C 1.275 177.587 176.300 0.020 0.000 1.153 185 D CA -0.726 53.306 54.000 0.054 0.000 1.038 185 D CB 0.828 41.685 40.800 0.095 0.000 1.120 185 D HN 0.518 nan 8.370 nan 0.000 0.564 186 G N -1.476 107.335 108.800 0.018 0.000 2.708 186 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.210 186 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.210 186 G C 0.524 175.422 174.900 -0.004 0.000 1.141 186 G CA 0.055 45.158 45.100 0.005 0.000 0.788 186 G HN 0.342 nan 8.290 nan 0.000 0.531 187 S N -0.504 115.193 115.700 -0.004 0.000 2.663 187 S HA 0.409 4.879 4.470 -0.000 0.000 0.243 187 S C 1.562 176.138 174.600 -0.041 0.000 1.009 187 S CA 0.254 58.443 58.200 -0.020 0.000 0.988 187 S CB 0.568 63.759 63.200 -0.014 0.000 0.896 187 S HN 0.984 nan 8.310 nan 0.000 0.502 188 G N 2.575 111.349 108.800 -0.044 0.000 2.148 188 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 188 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 188 G C -0.255 174.583 174.900 -0.103 0.000 0.981 188 G CA -0.380 44.678 45.100 -0.070 0.000 0.670 188 G HN 0.490 nan 8.290 nan 0.000 0.528 189 N N 0.847 119.488 118.700 -0.097 0.000 2.488 189 N HA 0.496 5.236 4.740 -0.000 0.000 0.274 189 N C 0.371 175.783 175.510 -0.164 0.000 1.111 189 N CA 0.781 53.722 53.050 -0.182 0.000 0.974 189 N CB 1.532 39.914 38.487 -0.175 0.000 1.089 189 N HN 0.475 nan 8.380 nan 0.000 0.465 190 G N 1.842 110.492 108.800 -0.249 0.000 2.671 190 G HA2 0.386 4.346 3.960 -0.000 0.000 0.318 190 G HA3 0.386 4.346 3.960 -0.000 0.000 0.318 190 G C -1.045 173.767 174.900 -0.146 0.000 1.250 190 G CA -0.567 44.429 45.100 -0.172 0.000 1.028 190 G HN 0.442 nan 8.290 nan 0.000 0.501 191 W N 1.532 122.795 121.300 -0.062 0.000 2.365 191 W HA 0.474 5.133 4.660 -0.000 0.000 0.316 191 W C 0.373 176.895 176.519 0.004 0.000 1.164 191 W CA -0.384 56.959 57.345 -0.003 0.000 1.204 191 W CB 1.685 31.148 29.460 0.005 0.000 1.213 191 W HN 0.258 nan 8.180 nan 0.000 0.539 192 T N 3.038 117.779 114.554 0.312 0.000 2.781 192 T HA 0.324 4.674 4.350 -0.000 0.000 0.305 192 T C -0.263 174.625 174.700 0.314 0.000 1.001 192 T CA -0.629 61.618 62.100 0.245 0.000 0.950 192 T CB 0.292 69.281 68.868 0.202 0.000 0.955 192 T HN 0.076 nan 8.240 nan 0.000 0.471 193 V N 5.507 125.623 119.914 0.337 0.000 2.488 193 V HA 0.226 4.346 4.120 -0.000 0.000 0.277 193 V C 0.675 177.011 176.094 0.404 0.000 1.046 193 V CA -0.214 62.268 62.300 0.303 0.000 0.986 193 V CB -0.055 32.030 31.823 0.437 0.000 0.989 193 V HN 0.959 nan 8.190 nan 0.000 0.475 194 F N 1.414 121.445 119.950 0.134 0.000 2.682 194 F HA 0.522 5.049 4.527 -0.000 0.000 0.308 194 F C 0.355 176.025 175.800 -0.217 0.000 1.093 194 F CA -0.206 57.799 58.000 0.008 0.000 1.244 194 F CB 0.297 39.192 39.000 -0.175 0.000 1.052 194 F HN 0.445 nan 8.300 nan 0.000 0.573 195 Q N 1.818 121.371 119.800 -0.411 0.000 2.353 195 Q HA 0.456 4.796 4.340 -0.000 0.000 0.275 195 Q C -2.031 173.626 176.000 -0.572 0.000 1.029 195 Q CA -0.494 55.076 55.803 -0.388 0.000 0.848 195 Q CB 2.807 31.601 28.738 0.093 0.000 1.390 195 Q HN 0.305 nan 8.270 nan 0.000 0.401 196 K N 2.153 122.206 120.400 -0.578 0.000 2.571 196 K HA 0.504 4.824 4.320 -0.000 0.000 0.252 196 K C -1.730 174.751 176.600 -0.198 0.000 0.956 196 K CA -0.412 55.625 56.287 -0.418 0.000 0.822 196 K CB 1.163 33.344 32.500 -0.532 0.000 1.286 196 K HN 0.445 nan 8.250 nan 0.000 0.439 197 R N 4.026 124.435 120.500 -0.150 0.000 2.621 197 R HA 0.534 4.874 4.340 -0.000 0.000 0.292 197 R C -0.299 175.982 176.300 -0.032 0.000 0.969 197 R CA -0.802 55.247 56.100 -0.085 0.000 0.887 197 R CB 1.175 31.417 30.300 -0.096 0.000 1.180 197 R HN 0.648 nan 8.270 nan 0.000 0.450 198 L N -1.486 119.725 121.223 -0.021 0.000 4.194 198 L HA 0.376 4.716 4.340 -0.000 0.000 0.409 198 L C 0.241 177.061 176.870 -0.084 0.000 1.084 198 L CA 0.239 55.061 54.840 -0.031 0.000 1.510 198 L CB 0.081 42.095 42.059 -0.074 0.000 1.780 198 L HN 0.552 nan 8.230 nan 0.000 0.634 199 D N -0.897 119.293 120.400 -0.350 0.000 2.475 199 D HA 0.276 4.916 4.640 -0.000 0.000 0.306 199 D C 1.358 177.068 176.300 -0.983 0.000 1.304 199 D CA 0.563 54.270 54.000 -0.488 0.000 0.862 199 D CB -0.031 40.656 40.800 -0.188 0.000 1.306 199 D HN 0.442 nan 8.370 nan 0.000 0.494 200 G N 0.840 108.869 108.800 -1.285 0.000 2.143 200 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.248 200 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.248 200 G C 1.137 175.874 174.900 -0.272 0.000 0.991 200 G CA 1.049 45.630 45.100 -0.865 0.000 0.689 200 G HN 0.897 nan 8.290 nan 0.000 0.522 201 S N -1.904 113.693 115.700 -0.173 0.000 2.453 201 S HA 0.367 4.837 4.470 -0.000 0.000 0.231 201 S C 0.895 175.529 174.600 0.057 0.000 1.005 201 S CA 0.956 59.132 58.200 -0.039 0.000 0.949 201 S CB 0.563 63.751 63.200 -0.020 0.000 0.774 201 S HN 0.889 nan 8.310 nan 0.000 0.510 202 V N 2.596 122.595 119.914 0.141 0.000 2.459 202 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 202 V C -0.478 175.779 176.094 0.271 0.000 1.029 202 V CA -1.023 61.408 62.300 0.219 0.000 0.874 202 V CB 1.670 33.684 31.823 0.319 0.000 0.985 202 V HN 0.264 nan 8.190 nan 0.000 0.438 203 D N 2.756 123.220 120.400 0.106 0.000 2.343 203 D HA 0.172 4.812 4.640 -0.000 0.000 0.255 203 D C 0.044 176.333 176.300 -0.019 0.000 1.187 203 D CA 0.059 54.101 54.000 0.070 0.000 0.875 203 D CB 0.982 41.761 40.800 -0.035 0.000 1.136 203 D HN 0.378 nan 8.370 nan 0.000 0.469 204 F N 2.186 122.124 119.950 -0.019 0.000 2.693 204 F HA 0.151 4.678 4.527 -0.000 0.000 0.303 204 F C 1.482 177.284 175.800 0.004 0.000 1.097 204 F CA -0.181 57.829 58.000 0.017 0.000 1.330 204 F CB 0.178 39.288 39.000 0.183 0.000 1.067 204 F HN 0.217 nan 8.300 nan 0.000 0.565 205 K N 2.150 122.591 120.400 0.069 0.000 2.142 205 K HA 0.142 4.462 4.320 -0.000 0.000 0.250 205 K C -0.406 176.213 176.600 0.032 0.000 1.148 205 K CA -0.113 56.245 56.287 0.118 0.000 1.040 205 K CB -0.162 32.384 32.500 0.078 0.000 1.569 205 K HN -0.174 nan 8.250 nan 0.000 0.361 206 K N 1.611 122.027 120.400 0.027 0.000 2.295 206 K HA 0.253 4.572 4.320 -0.000 0.000 0.239 206 K C -0.134 176.617 176.600 0.252 0.000 0.991 206 K CA -0.977 55.242 56.287 -0.114 0.000 0.845 206 K CB 1.048 33.002 32.500 -0.909 0.000 1.197 206 K HN 0.574 nan 8.250 nan 0.000 0.441 207 N N -0.932 117.876 118.700 0.180 0.000 2.418 207 N HA 0.066 4.806 4.740 -0.000 0.000 0.283 207 N C 0.972 176.609 175.510 0.211 0.000 1.267 207 N CA -0.600 52.504 53.050 0.090 0.000 0.975 207 N CB 0.214 38.707 38.487 0.009 0.000 1.167 207 N HN 0.699 nan 8.380 nan 0.000 0.581 208 W N 0.136 121.414 121.300 -0.037 0.000 2.333 208 W HA -0.155 4.505 4.660 -0.000 0.000 0.316 208 W C 1.405 178.006 176.519 0.137 0.000 1.215 208 W CA 1.248 58.642 57.345 0.082 0.000 1.278 208 W CB -0.294 29.158 29.460 -0.014 0.000 1.154 208 W HN 0.468 nan 8.180 nan 0.000 0.486 209 I N 0.886 121.538 120.570 0.137 0.000 2.226 209 I HA -0.374 3.796 4.170 -0.000 0.000 0.245 209 I C 2.626 178.742 176.117 -0.002 0.000 1.100 209 I CA 1.628 62.955 61.300 0.044 0.000 1.374 209 I CB -0.635 37.427 38.000 0.104 0.000 1.057 209 I HN 0.091 nan 8.210 nan 0.000 0.413 210 Q N -0.514 119.305 119.800 0.031 0.000 2.119 210 Q HA -0.211 4.129 4.340 -0.000 0.000 0.201 210 Q C 2.062 178.144 176.000 0.137 0.000 0.972 210 Q CA 1.592 57.419 55.803 0.040 0.000 0.847 210 Q CB -0.150 28.526 28.738 -0.104 0.000 0.903 210 Q HN 0.492 nan 8.270 nan 0.000 0.433 211 Y N 0.861 121.216 120.300 0.092 0.000 2.373 211 Y HA -0.121 4.429 4.550 -0.000 0.000 0.293 211 Y C 2.284 178.078 175.900 -0.177 0.000 1.129 211 Y CA 1.025 59.151 58.100 0.045 0.000 1.226 211 Y CB 0.133 38.535 38.460 -0.096 0.000 1.000 211 Y HN -0.003 nan 8.280 nan 0.000 0.549 212 K N 0.166 120.425 120.400 -0.235 0.000 2.031 212 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 212 K C 1.545 178.001 176.600 -0.240 0.000 1.049 212 K CA 1.613 57.670 56.287 -0.383 0.000 0.939 212 K CB 0.094 32.400 32.500 -0.323 0.000 0.717 212 K HN 0.115 nan 8.250 nan 0.000 0.438 213 E N 0.009 120.136 120.200 -0.122 0.000 2.250 213 E HA 0.105 4.455 4.350 -0.000 0.000 0.192 213 E C 0.686 177.217 176.600 -0.115 0.000 0.986 213 E CA 0.809 57.143 56.400 -0.111 0.000 0.849 213 E CB 0.575 30.245 29.700 -0.049 0.000 0.797 213 E HN 0.512 nan 8.360 nan 0.000 0.482 214 G N 1.191 109.970 108.800 -0.035 0.000 2.587 214 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 214 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 214 G C -0.671 174.239 174.900 0.017 0.000 1.236 214 G CA -0.496 44.560 45.100 -0.073 0.000 0.820 214 G HN 0.146 nan 8.290 nan 0.000 0.645 215 F N -1.148 118.764 119.950 -0.063 0.000 2.745 215 F HA 0.945 5.472 4.527 -0.000 0.000 0.316 215 F C 0.822 176.540 175.800 -0.138 0.000 1.155 215 F CA -0.221 57.677 58.000 -0.170 0.000 0.937 215 F CB 0.986 39.816 39.000 -0.283 0.000 1.361 215 F HN 2.504 nan 8.300 nan 0.000 0.472 216 G N 0.621 109.440 108.800 0.032 0.000 2.660 216 G HA2 0.192 4.152 3.960 -0.000 0.000 0.215 216 G HA3 0.192 4.152 3.960 -0.000 0.000 0.215 216 G C -1.884 172.826 174.900 -0.317 0.000 1.345 216 G CA -0.335 44.751 45.100 -0.024 0.000 0.877 216 G HN 1.319 nan 8.290 nan 0.000 0.549 217 H N -1.513 117.641 119.070 0.140 0.000 2.821 217 H HA 0.736 5.292 4.556 -0.000 0.000 0.373 217 H C -0.067 175.233 175.328 -0.047 0.000 1.165 217 H CA -0.773 55.296 56.048 0.035 0.000 1.154 217 H CB 1.599 31.381 29.762 0.034 0.000 1.765 217 H HN 0.536 nan 8.280 nan 0.000 0.549 218 L N 1.900 123.101 121.223 -0.036 0.000 2.307 218 L HA 0.558 4.898 4.340 -0.000 0.000 0.284 218 L C -0.360 176.487 176.870 -0.038 0.000 1.023 218 L CA -0.649 54.075 54.840 -0.192 0.000 0.810 218 L CB 1.384 43.274 42.059 -0.283 0.000 1.231 218 L HN 0.709 nan 8.230 nan 0.000 0.423 219 S N 1.275 116.966 115.700 -0.014 0.000 2.526 219 S HA 0.516 4.986 4.470 -0.000 0.000 0.293 219 S C -2.372 172.299 174.600 0.119 0.000 1.092 219 S CA -1.465 56.753 58.200 0.029 0.000 0.980 219 S CB 2.201 65.407 63.200 0.010 0.000 1.048 219 S HN 0.284 nan 8.310 nan 0.000 0.483 220 P HA -0.088 nan 4.420 nan 0.000 0.218 220 P C 1.481 178.940 177.300 0.264 0.000 1.148 220 P CA 1.499 64.713 63.100 0.191 0.000 0.822 220 P CB -0.203 31.553 31.700 0.092 0.000 0.784 221 T N -5.114 109.527 114.554 0.147 0.000 3.148 221 T HA 0.235 4.585 4.350 -0.000 0.000 0.253 221 T C 1.396 176.124 174.700 0.046 0.000 1.134 221 T CA 0.317 62.485 62.100 0.113 0.000 1.051 221 T CB -1.273 67.625 68.868 0.050 0.000 0.959 221 T HN 0.229 nan 8.240 nan 0.000 0.525 222 G N 2.157 110.907 108.800 -0.083 0.000 2.356 222 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.296 222 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.296 222 G C 0.493 175.268 174.900 -0.209 0.000 1.022 222 G CA 0.609 45.418 45.100 -0.485 0.000 0.961 222 G HN 1.074 nan 8.290 nan 0.000 0.510 223 T N -2.639 111.860 114.554 -0.093 0.000 3.266 223 T HA 0.539 4.888 4.350 -0.000 0.000 0.278 223 T C 0.606 175.296 174.700 -0.016 0.000 1.010 223 T CA 0.659 62.729 62.100 -0.050 0.000 0.909 223 T CB 0.633 69.483 68.868 -0.029 0.000 1.122 223 T HN 1.165 nan 8.240 nan 0.000 0.536 224 T N -1.292 113.278 114.554 0.026 0.000 2.906 224 T HA 0.613 4.963 4.350 -0.000 0.000 0.295 224 T C -0.850 173.961 174.700 0.186 0.000 1.075 224 T CA -0.979 61.183 62.100 0.103 0.000 1.005 224 T CB 2.226 71.181 68.868 0.145 0.000 1.136 224 T HN 0.229 nan 8.240 nan 0.000 0.498 225 E N 0.851 121.172 120.200 0.201 0.000 2.313 225 E HA 0.633 4.983 4.350 -0.000 0.000 0.272 225 E C -0.859 175.969 176.600 0.380 0.000 1.038 225 E CA -0.671 55.864 56.400 0.225 0.000 0.863 225 E CB 1.023 30.882 29.700 0.264 0.000 1.060 225 E HN 0.665 nan 8.360 nan 0.000 0.402 226 F N -0.725 119.372 119.950 0.246 0.000 2.842 226 F HA 0.457 4.984 4.527 -0.000 0.000 0.319 226 F C -2.251 173.614 175.800 0.108 0.000 1.159 226 F CA -1.268 56.780 58.000 0.081 0.000 0.902 226 F CB 1.165 40.165 39.000 0.000 0.000 1.311 226 F HN 0.547 nan 8.300 nan 0.000 0.453 227 W N 5.387 126.549 121.300 -0.231 0.000 2.631 227 W HA 0.586 5.246 4.660 -0.000 0.000 0.321 227 W C -1.741 174.690 176.519 -0.146 0.000 1.004 227 W CA -1.007 56.132 57.345 -0.343 0.000 1.291 227 W CB 1.711 30.519 29.460 -1.087 0.000 1.300 227 W HN 0.904 nan 8.180 nan 0.000 0.422 228 L N 4.792 125.882 121.223 -0.221 0.000 2.473 228 L HA 0.515 4.855 4.340 -0.000 0.000 0.265 228 L C 1.000 177.483 176.870 -0.646 0.000 1.243 228 L CA 0.983 55.665 54.840 -0.263 0.000 0.822 228 L CB 0.323 42.328 42.059 -0.090 0.000 1.101 228 L HN 0.486 nan 8.230 nan 0.000 0.507 229 G N 1.179 109.689 108.800 -0.483 0.000 2.503 229 G HA2 0.095 4.055 3.960 -0.000 0.000 0.257 229 G HA3 0.095 4.055 3.960 -0.000 0.000 0.257 229 G C 0.518 175.073 174.900 -0.576 0.000 1.214 229 G CA -0.019 44.807 45.100 -0.456 0.000 0.839 229 G HN 0.912 nan 8.290 nan 0.000 0.559 230 N N -0.350 118.012 118.700 -0.562 0.000 2.166 230 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 230 N C 1.990 176.975 175.510 -0.875 0.000 1.019 230 N CA 1.219 53.743 53.050 -0.877 0.000 0.856 230 N CB 0.096 37.678 38.487 -1.509 0.000 0.993 230 N HN 0.652 nan 8.380 nan 0.000 0.426 231 E N 1.640 121.432 120.200 -0.681 0.000 2.077 231 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 231 E C 1.507 177.984 176.600 -0.204 0.000 0.989 231 E CA 1.508 57.778 56.400 -0.217 0.000 0.800 231 E CB 0.109 29.755 29.700 -0.090 0.000 0.746 231 E HN 0.204 nan 8.360 nan 0.000 0.452 232 K N -0.183 119.965 120.400 -0.419 0.000 2.057 232 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 232 K C 2.217 178.648 176.600 -0.282 0.000 1.050 232 K CA 1.496 57.470 56.287 -0.523 0.000 0.935 232 K CB -0.205 31.719 32.500 -0.960 0.000 0.715 232 K HN 0.204 nan 8.250 nan 0.000 0.439 233 I N 0.348 120.704 120.570 -0.357 0.000 2.361 233 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 233 I C 2.502 178.491 176.117 -0.213 0.000 1.133 233 I CA 1.267 62.359 61.300 -0.346 0.000 1.413 233 I CB -0.302 37.329 38.000 -0.614 0.000 1.073 233 I HN 0.261 nan 8.210 nan 0.000 0.424 234 H N 1.322 120.259 119.070 -0.221 0.000 2.363 234 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 234 H C 2.071 177.356 175.328 -0.071 0.000 1.074 234 H CA 1.606 57.590 56.048 -0.105 0.000 1.354 234 H CB -0.219 29.573 29.762 0.051 0.000 1.397 234 H HN 0.176 nan 8.280 nan 0.000 0.516 235 L N -0.233 120.788 121.223 -0.337 0.000 2.083 235 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 235 L C 2.461 179.227 176.870 -0.174 0.000 1.083 235 L CA 1.254 55.923 54.840 -0.285 0.000 0.752 235 L CB -0.331 41.705 42.059 -0.039 0.000 0.899 235 L HN 0.337 nan 8.230 nan 0.000 0.433 236 I N -0.464 120.031 120.570 -0.124 0.000 2.133 236 I HA -0.253 3.917 4.170 -0.000 0.000 0.238 236 I C 2.660 178.551 176.117 -0.377 0.000 1.074 236 I CA 1.584 62.793 61.300 -0.152 0.000 1.342 236 I CB -0.404 37.526 38.000 -0.117 0.000 1.053 236 I HN 0.293 nan 8.210 nan 0.000 0.404 237 S N -0.585 114.851 115.700 -0.439 0.000 2.547 237 S HA -0.101 4.368 4.470 -0.000 0.000 0.235 237 S C 1.454 175.970 174.600 -0.139 0.000 0.980 237 S CA 1.205 59.125 58.200 -0.466 0.000 0.941 237 S CB -0.736 62.278 63.200 -0.312 0.000 0.763 237 S HN 0.622 nan 8.310 nan 0.000 0.532 238 T N -1.602 112.864 114.554 -0.147 0.000 3.209 238 T HA 0.228 4.578 4.350 -0.000 0.000 0.295 238 T C 1.378 176.051 174.700 -0.046 0.000 0.977 238 T CA 0.001 62.059 62.100 -0.070 0.000 0.922 238 T CB -0.146 68.651 68.868 -0.117 0.000 1.152 238 T HN 0.548 nan 8.240 nan 0.000 0.527 239 Q N 1.982 121.770 119.800 -0.020 0.000 2.234 239 Q HA 0.003 4.343 4.340 -0.000 0.000 0.206 239 Q C 1.178 177.198 176.000 0.034 0.000 0.980 239 Q CA 1.365 57.171 55.803 0.005 0.000 0.869 239 Q CB -0.420 28.340 28.738 0.036 0.000 0.912 239 Q HN 0.664 nan 8.270 nan 0.000 0.436 240 S N -1.629 114.110 115.700 0.066 0.000 2.880 240 S HA 0.706 5.176 4.470 -0.000 0.000 0.308 240 S C 0.293 174.924 174.600 0.052 0.000 1.195 240 S CA -0.535 57.694 58.200 0.049 0.000 0.866 240 S CB 0.815 64.041 63.200 0.044 0.000 1.254 240 S HN 0.136 nan 8.310 nan 0.000 0.571 241 A N 0.268 123.109 122.820 0.034 0.000 2.208 241 A HA 0.364 4.684 4.320 -0.000 0.000 0.209 241 A C 1.059 178.661 177.584 0.030 0.000 1.161 241 A CA 0.082 52.138 52.037 0.031 0.000 0.782 241 A CB -1.222 17.790 19.000 0.021 0.000 0.816 241 A HN 0.909 nan 8.150 nan 0.000 0.477 242 I N -0.309 120.273 120.570 0.020 0.000 2.517 242 I HA 0.313 4.483 4.170 -0.000 0.000 0.285 242 I C -2.376 173.734 176.117 -0.011 0.000 1.106 242 I CA -1.885 59.401 61.300 -0.023 0.000 1.402 242 I CB 0.556 38.497 38.000 -0.100 0.000 1.399 242 I HN -0.031 nan 8.210 nan 0.000 0.535 243 P HA 0.180 nan 4.420 nan 0.000 0.271 243 P C -1.429 175.878 177.300 0.011 0.000 1.218 243 P CA 0.307 63.435 63.100 0.048 0.000 0.780 243 P CB 0.687 32.405 31.700 0.030 0.000 0.901 244 Y N 0.252 120.610 120.300 0.097 0.000 2.602 244 Y HA 0.606 5.156 4.550 -0.000 0.000 0.330 244 Y C 0.436 176.454 175.900 0.197 0.000 1.114 244 Y CA -0.501 57.702 58.100 0.171 0.000 1.182 244 Y CB 2.050 40.647 38.460 0.227 0.000 1.305 244 Y HN 0.483 nan 8.280 nan 0.000 0.502 245 A N 1.672 124.763 122.820 0.451 0.000 2.435 245 A HA 0.719 5.039 4.320 -0.000 0.000 0.304 245 A C -2.213 175.580 177.584 0.348 0.000 1.064 245 A CA -0.640 51.616 52.037 0.366 0.000 0.727 245 A CB 1.394 20.649 19.000 0.426 0.000 1.284 245 A HN 0.624 nan 8.150 nan 0.000 0.415 246 L N 1.306 122.663 121.223 0.222 0.000 2.341 246 L HA 0.806 5.146 4.340 -0.000 0.000 0.278 246 L C -0.152 176.790 176.870 0.120 0.000 1.005 246 L CA -0.329 54.529 54.840 0.029 0.000 0.818 246 L CB 1.510 43.318 42.059 -0.419 0.000 1.259 246 L HN 0.762 nan 8.230 nan 0.000 0.418 247 R N 4.222 124.760 120.500 0.062 0.000 2.437 247 R HA 0.732 5.071 4.340 -0.000 0.000 0.310 247 R C -1.826 174.323 176.300 -0.251 0.000 0.955 247 R CA -0.638 55.399 56.100 -0.106 0.000 0.851 247 R CB 1.667 31.788 30.300 -0.298 0.000 1.161 247 R HN 0.595 nan 8.270 nan 0.000 0.446 248 V N 4.396 124.148 119.914 -0.270 0.000 2.394 248 V HA 0.295 4.415 4.120 -0.000 0.000 0.282 248 V C -0.225 175.582 176.094 -0.478 0.000 1.031 248 V CA -0.424 61.635 62.300 -0.401 0.000 0.881 248 V CB 1.500 32.979 31.823 -0.574 0.000 0.982 248 V HN 0.823 nan 8.190 nan 0.000 0.451 249 E N 5.024 124.954 120.200 -0.451 0.000 2.171 249 E HA 0.656 5.006 4.350 -0.000 0.000 0.271 249 E C -1.342 175.010 176.600 -0.414 0.000 0.916 249 E CA -0.541 55.600 56.400 -0.431 0.000 0.774 249 E CB 2.196 31.675 29.700 -0.369 0.000 1.128 249 E HN 0.504 nan 8.360 nan 0.000 0.403 250 L N 2.136 123.084 121.223 -0.459 0.000 2.370 250 L HA 0.547 4.887 4.340 -0.000 0.000 0.266 250 L C -0.426 176.305 176.870 -0.233 0.000 1.002 250 L CA -0.740 53.894 54.840 -0.344 0.000 0.818 250 L CB 2.246 44.056 42.059 -0.416 0.000 1.325 250 L HN 0.515 nan 8.230 nan 0.000 0.418 251 E N 1.288 121.467 120.200 -0.035 0.000 2.275 251 E HA 0.301 4.651 4.350 -0.000 0.000 0.270 251 E C -1.702 174.987 176.600 0.148 0.000 0.882 251 E CA -0.664 55.764 56.400 0.047 0.000 0.758 251 E CB 2.222 31.872 29.700 -0.082 0.000 1.195 251 E HN 0.684 nan 8.360 nan 0.000 0.419 252 D N 1.673 122.241 120.400 0.279 0.000 2.506 252 D HA 0.116 4.755 4.640 -0.000 0.000 0.272 252 D C 0.098 176.435 176.300 0.062 0.000 1.214 252 D CA -0.482 53.671 54.000 0.255 0.000 1.067 252 D CB 0.244 41.157 40.800 0.188 0.000 1.117 252 D HN 0.507 nan 8.370 nan 0.000 0.578 253 W N -1.000 120.435 121.300 0.225 0.000 3.391 253 W HA 0.256 4.916 4.660 -0.000 0.000 0.275 253 W C 0.678 177.262 176.519 0.108 0.000 1.318 253 W CA -0.163 57.259 57.345 0.128 0.000 1.665 253 W CB -0.668 28.839 29.460 0.078 0.000 1.078 253 W HN 0.403 nan 8.180 nan 0.000 0.732 254 N N -0.935 117.899 118.700 0.222 0.000 2.197 254 N HA 0.185 4.925 4.740 -0.000 0.000 0.228 254 N C 1.358 176.926 175.510 0.096 0.000 1.212 254 N CA 0.386 53.525 53.050 0.149 0.000 0.883 254 N CB 0.925 39.485 38.487 0.123 0.000 1.107 254 N HN 0.066 nan 8.380 nan 0.000 0.519 255 G N 1.434 110.278 108.800 0.074 0.000 2.159 255 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 255 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 255 G C 0.067 175.006 174.900 0.066 0.000 0.977 255 G CA -0.141 44.986 45.100 0.046 0.000 0.652 255 G HN 0.239 nan 8.290 nan 0.000 0.531 256 R N 0.949 121.521 120.500 0.121 0.000 2.349 256 R HA 0.583 4.922 4.340 -0.000 0.000 0.299 256 R C 0.523 176.968 176.300 0.242 0.000 1.027 256 R CA 0.466 56.671 56.100 0.175 0.000 0.958 256 R CB 1.036 31.469 30.300 0.221 0.000 1.047 256 R HN 0.393 nan 8.270 nan 0.000 0.468 257 T N -1.460 113.157 114.554 0.104 0.000 2.924 257 T HA 0.669 5.019 4.350 -0.000 0.000 0.291 257 T C -0.258 174.272 174.700 -0.284 0.000 1.045 257 T CA -0.818 61.232 62.100 -0.083 0.000 1.015 257 T CB 1.900 70.690 68.868 -0.130 0.000 1.103 257 T HN 0.598 nan 8.240 nan 0.000 0.496 258 S N 0.088 115.403 115.700 -0.641 0.000 2.638 258 S HA 0.894 5.363 4.470 -0.000 0.000 0.274 258 S C -0.653 173.568 174.600 -0.632 0.000 1.157 258 S CA -0.694 57.063 58.200 -0.739 0.000 0.826 258 S CB 1.527 63.862 63.200 -1.441 0.000 1.139 258 S HN 1.452 nan 8.310 nan 0.000 0.474 259 T N -2.198 112.065 114.554 -0.484 0.000 2.883 259 T HA 0.894 5.244 4.350 -0.000 0.000 0.296 259 T C -0.839 173.678 174.700 -0.306 0.000 1.117 259 T CA -0.730 61.125 62.100 -0.409 0.000 1.006 259 T CB 1.434 70.115 68.868 -0.311 0.000 1.191 259 T HN 1.820 nan 8.240 nan 0.000 0.508 260 A N 1.460 124.113 122.820 -0.278 0.000 2.402 260 A HA 0.693 5.012 4.320 -0.000 0.000 0.291 260 A C -1.628 175.831 177.584 -0.209 0.000 1.051 260 A CA -0.789 51.190 52.037 -0.097 0.000 0.716 260 A CB 1.198 20.267 19.000 0.114 0.000 1.223 260 A HN 0.762 nan 8.150 nan 0.000 0.425 261 D N 0.865 121.004 120.400 -0.434 0.000 2.256 261 D HA 0.594 5.234 4.640 -0.000 0.000 0.246 261 D C -1.392 174.498 176.300 -0.683 0.000 1.042 261 D CA 0.464 54.241 54.000 -0.372 0.000 0.841 261 D CB 1.231 41.892 40.800 -0.231 0.000 1.223 261 D HN 0.403 nan 8.370 nan 0.000 0.470 262 Y N 0.321 120.576 120.300 -0.076 0.000 2.361 262 Y HA 0.557 5.107 4.550 -0.000 0.000 0.337 262 Y C 0.326 176.162 175.900 -0.107 0.000 0.965 262 Y CA -1.092 56.934 58.100 -0.124 0.000 1.091 262 Y CB 1.801 40.160 38.460 -0.168 0.000 1.182 262 Y HN 0.379 nan 8.280 nan 0.000 0.450 263 A N 2.904 125.569 122.820 -0.258 0.000 2.316 263 A HA 0.653 4.973 4.320 -0.000 0.000 0.284 263 A C 0.122 177.437 177.584 -0.448 0.000 1.115 263 A CA -0.600 51.037 52.037 -0.668 0.000 0.812 263 A CB 0.242 18.381 19.000 -1.435 0.000 1.064 263 A HN 0.910 nan 8.150 nan 0.000 0.489 264 M N 0.185 119.519 119.600 -0.444 0.000 2.360 264 M HA -0.155 4.325 4.480 -0.000 0.000 0.202 264 M C -0.393 175.958 176.300 0.085 0.000 0.390 264 M CA 0.298 55.506 55.300 -0.153 0.000 0.470 264 M CB -2.206 30.288 32.600 -0.176 0.000 1.637 264 M HN 0.688 nan 8.290 nan 0.000 0.885 265 F N 1.597 121.585 119.950 0.063 0.000 2.529 265 F HA 0.493 5.020 4.527 -0.000 0.000 0.365 265 F C 0.540 176.393 175.800 0.088 0.000 1.102 265 F CA 0.422 58.501 58.000 0.133 0.000 1.271 265 F CB 0.433 39.549 39.000 0.192 0.000 1.120 265 F HN 0.173 nan 8.300 nan 0.000 0.579 266 K N 4.687 124.573 120.400 -0.858 0.000 2.557 266 K HA 0.457 4.777 4.320 -0.000 0.000 0.257 266 K C -1.920 174.232 176.600 -0.745 0.000 0.933 266 K CA -0.866 55.005 56.287 -0.693 0.000 0.820 266 K CB 2.497 34.844 32.500 -0.254 0.000 1.330 266 K HN 0.392 nan 8.250 nan 0.000 0.432 267 V N 2.221 121.823 119.914 -0.519 0.000 2.384 267 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 267 V C 0.693 176.836 176.094 0.082 0.000 1.020 267 V CA -0.583 61.591 62.300 -0.210 0.000 0.850 267 V CB 1.451 33.203 31.823 -0.118 0.000 0.987 267 V HN 0.936 nan 8.190 nan 0.000 0.436 268 G N 6.386 115.221 108.800 0.058 0.000 2.653 268 G HA2 0.421 4.381 3.960 -0.000 0.000 0.265 268 G HA3 0.421 4.381 3.960 -0.000 0.000 0.265 268 G C -2.407 172.311 174.900 -0.303 0.000 1.237 268 G CA -0.806 44.289 45.100 -0.008 0.000 0.946 268 G HN 0.559 nan 8.290 nan 0.000 0.522 269 P HA 0.131 nan 4.420 nan 0.000 0.276 269 P C 0.345 177.197 177.300 -0.746 0.000 1.261 269 P CA -0.246 62.310 63.100 -0.907 0.000 0.800 269 P CB 1.508 32.899 31.700 -0.516 0.000 1.066 270 E N 0.751 120.425 120.200 -0.877 0.000 2.209 270 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 270 E C 1.863 178.243 176.600 -0.366 0.000 0.993 270 E CA 1.273 57.133 56.400 -0.901 0.000 0.819 270 E CB -0.548 28.887 29.700 -0.442 0.000 0.745 270 E HN 0.471 nan 8.360 nan 0.000 0.477 271 A N 0.665 123.328 122.820 -0.262 0.000 2.019 271 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 271 A C 1.656 179.161 177.584 -0.133 0.000 1.164 271 A CA 1.651 53.597 52.037 -0.152 0.000 0.644 271 A CB -0.071 18.863 19.000 -0.111 0.000 0.805 271 A HN 0.250 nan 8.150 nan 0.000 0.449 272 D N -1.139 119.167 120.400 -0.156 0.000 2.559 272 D HA 0.162 4.801 4.640 -0.000 0.000 0.234 272 D C -0.129 176.153 176.300 -0.030 0.000 1.226 272 D CA -0.114 53.836 54.000 -0.084 0.000 0.830 272 D CB -0.111 40.648 40.800 -0.069 0.000 1.028 272 D HN 0.010 nan 8.370 nan 0.000 0.492 273 K N 0.391 120.762 120.400 -0.048 0.000 3.069 273 K HA -0.257 4.063 4.320 -0.000 0.000 0.267 273 K C -0.518 176.297 176.600 0.358 0.000 1.082 273 K CA 0.389 56.782 56.287 0.178 0.000 0.782 273 K CB -2.495 30.113 32.500 0.180 0.000 1.230 273 K HN 0.475 nan 8.250 nan 0.000 0.488 274 Y N -1.494 118.920 120.300 0.190 0.000 3.225 274 Y HA -0.314 4.236 4.550 -0.000 0.000 0.211 274 Y C 1.054 177.139 175.900 0.310 0.000 1.223 274 Y CA 1.230 59.413 58.100 0.140 0.000 1.284 274 Y CB -1.780 36.707 38.460 0.045 0.000 1.367 274 Y HN 0.334 nan 8.280 nan 0.000 0.566 275 R N 1.003 121.680 120.500 0.295 0.000 2.583 275 R HA 0.204 4.544 4.340 -0.000 0.000 0.274 275 R C 0.121 176.437 176.300 0.027 0.000 0.998 275 R CA -0.406 55.820 56.100 0.211 0.000 1.081 275 R CB 0.304 30.642 30.300 0.064 0.000 0.940 275 R HN 0.331 nan 8.270 nan 0.000 0.413 276 L N 4.396 125.471 121.223 -0.248 0.000 2.305 276 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 276 L C -0.677 175.937 176.870 -0.427 0.000 1.085 276 L CA 0.533 54.948 54.840 -0.708 0.000 0.813 276 L CB 1.503 42.639 42.059 -1.537 0.000 1.157 276 L HN 0.863 nan 8.230 nan 0.000 0.436 277 T N 2.168 116.500 114.554 -0.370 0.000 2.932 277 T HA 0.717 5.067 4.350 -0.000 0.000 0.318 277 T C -1.048 173.591 174.700 -0.101 0.000 1.265 277 T CA -0.526 61.411 62.100 -0.271 0.000 1.036 277 T CB 1.301 70.043 68.868 -0.210 0.000 1.209 277 T HN 0.811 nan 8.240 nan 0.000 0.484 278 Y N -0.369 119.902 120.300 -0.048 0.000 2.624 278 Y HA 0.835 5.385 4.550 -0.000 0.000 0.334 278 Y C 0.611 176.538 175.900 0.044 0.000 1.155 278 Y CA -1.017 57.107 58.100 0.040 0.000 1.046 278 Y CB 0.890 39.479 38.460 0.215 0.000 1.316 278 Y HN 0.760 nan 8.280 nan 0.000 0.457 279 A N 1.329 124.253 122.820 0.174 0.000 1.903 279 A HA 0.364 4.684 4.320 -0.000 0.000 0.213 279 A C -0.343 177.481 177.584 0.400 0.000 1.185 279 A CA 1.749 53.879 52.037 0.155 0.000 0.628 279 A CB -0.436 18.615 19.000 0.085 0.000 0.830 279 A HN 1.175 nan 8.150 nan 0.000 0.446 280 Y N -5.131 115.459 120.300 0.484 0.000 2.573 280 Y HA 0.541 5.091 4.550 -0.000 0.000 0.328 280 Y C -0.938 175.203 175.900 0.403 0.000 1.170 280 Y CA -2.526 55.860 58.100 0.477 0.000 1.078 280 Y CB -0.110 38.503 38.460 0.254 0.000 1.341 280 Y HN 0.107 nan 8.280 nan 0.000 0.459 281 F N 3.307 123.495 119.950 0.396 0.000 2.578 281 F HA 0.524 5.051 4.527 -0.000 0.000 0.381 281 F C 0.603 176.479 175.800 0.126 0.000 1.069 281 F CA 0.162 58.153 58.000 -0.015 0.000 1.231 281 F CB 1.099 40.124 39.000 0.041 0.000 1.086 281 F HN 0.800 nan 8.300 nan 0.000 0.564 282 A N 5.146 127.593 122.820 -0.621 0.000 2.610 282 A HA 0.599 4.919 4.320 -0.000 0.000 0.286 282 A C 0.808 178.000 177.584 -0.652 0.000 1.306 282 A CA 0.272 52.109 52.037 -0.335 0.000 0.942 282 A CB -1.207 17.757 19.000 -0.061 0.000 1.112 282 A HN 1.806 nan 8.150 nan 0.000 0.527 283 G N -1.759 106.137 108.800 -1.507 0.000 2.712 283 G HA2 0.528 4.488 3.960 -0.000 0.000 0.683 283 G HA3 0.528 4.488 3.960 -0.000 0.000 0.683 283 G C 0.294 174.800 174.900 -0.656 0.000 1.320 283 G CA -0.246 44.302 45.100 -0.920 0.000 0.847 283 G HN 2.453 nan 8.290 nan 0.000 0.553 284 G N -0.580 108.126 108.800 -0.156 0.000 2.521 284 G HA2 0.526 4.486 3.960 -0.000 0.000 0.589 284 G HA3 0.526 4.486 3.960 -0.000 0.000 0.589 284 G C 0.191 175.133 174.900 0.069 0.000 1.501 284 G CA 0.544 45.603 45.100 -0.068 0.000 0.887 284 G HN 2.018 nan 8.290 nan 0.000 0.654 285 D N 0.165 120.549 120.400 -0.026 0.000 2.392 285 D HA 0.144 4.784 4.640 -0.000 0.000 0.228 285 D C 1.868 178.130 176.300 -0.063 0.000 1.003 285 D CA 1.213 55.212 54.000 -0.001 0.000 0.917 285 D CB 0.039 40.830 40.800 -0.014 0.000 0.890 285 D HN 0.905 nan 8.370 nan 0.000 0.532 286 A N 0.210 122.927 122.820 -0.172 0.000 2.123 286 A HA 0.486 4.806 4.320 -0.000 0.000 0.214 286 A C 1.363 179.111 177.584 0.274 0.000 1.152 286 A CA 0.708 52.583 52.037 -0.271 0.000 0.728 286 A CB -0.493 18.173 19.000 -0.557 0.000 0.814 286 A HN 0.659 nan 8.150 nan 0.000 0.464 287 G N -0.477 108.499 108.800 0.294 0.000 2.705 287 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.686 287 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.686 287 G C -0.681 174.286 174.900 0.112 0.000 1.285 287 G CA -0.091 45.138 45.100 0.214 0.000 0.800 287 G HN 0.356 nan 8.290 nan 0.000 0.611 288 D N 1.299 121.375 120.400 -0.541 0.000 2.551 288 D HA 0.506 5.146 4.640 -0.000 0.000 0.223 288 D C 1.570 177.760 176.300 -0.183 0.000 1.144 288 D CA 0.756 54.347 54.000 -0.683 0.000 1.025 288 D CB 0.210 40.203 40.800 -1.345 0.000 1.085 288 D HN 0.926 nan 8.370 nan 0.000 0.506 289 A N 2.857 125.502 122.820 -0.292 0.000 2.067 289 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 289 A C 1.561 179.113 177.584 -0.054 0.000 1.158 289 A CA 0.547 52.238 52.037 -0.577 0.000 0.661 289 A CB -0.556 17.313 19.000 -1.885 0.000 0.801 289 A HN 0.481 nan 8.150 nan 0.000 0.452 290 F N 0.056 120.032 119.950 0.043 0.000 2.546 290 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 290 F C 1.528 177.486 175.800 0.263 0.000 1.120 290 F CA 0.872 59.044 58.000 0.286 0.000 1.456 290 F CB -0.629 38.486 39.000 0.191 0.000 1.088 290 F HN 0.303 nan 8.300 nan 0.000 0.572 291 D N -0.269 120.335 120.400 0.340 0.000 2.319 291 D HA 0.281 4.921 4.640 -0.000 0.000 0.230 291 D C 1.040 177.391 176.300 0.086 0.000 1.094 291 D CA 0.818 54.940 54.000 0.203 0.000 0.856 291 D CB -0.106 40.773 40.800 0.131 0.000 0.915 291 D HN 0.258 nan 8.370 nan 0.000 0.517 292 G N -0.183 108.673 108.800 0.094 0.000 2.829 292 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.628 292 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.628 292 G C -0.770 174.138 174.900 0.014 0.000 1.412 292 G CA -0.369 44.753 45.100 0.036 0.000 0.864 292 G HN 0.239 nan 8.290 nan 0.000 0.544 293 F N 0.162 119.945 119.950 -0.279 0.000 2.591 293 F HA 0.563 5.090 4.527 -0.000 0.000 0.309 293 F C -0.423 175.036 175.800 -0.567 0.000 1.098 293 F CA -0.858 56.816 58.000 -0.544 0.000 0.937 293 F CB 2.301 40.703 39.000 -0.996 0.000 1.250 293 F HN 0.498 nan 8.300 nan 0.000 0.447 294 D N 4.865 124.614 120.400 -1.085 0.000 2.558 294 D HA 0.106 4.745 4.640 -0.000 0.000 0.221 294 D C 0.860 176.929 176.300 -0.385 0.000 1.143 294 D CA 0.231 53.886 54.000 -0.576 0.000 1.010 294 D CB -0.295 40.203 40.800 -0.503 0.000 1.068 294 D HN 0.368 nan 8.370 nan 0.000 0.511 295 F N 1.012 121.048 119.950 0.145 0.000 2.134 295 F HA 0.114 4.641 4.527 -0.000 0.000 0.299 295 F C 2.001 177.885 175.800 0.141 0.000 1.097 295 F CA 1.142 59.306 58.000 0.273 0.000 1.264 295 F CB -0.129 38.993 39.000 0.203 0.000 1.001 295 F HN 0.363 nan 8.300 nan 0.000 0.479 296 G N -1.667 107.287 108.800 0.255 0.000 2.694 296 G HA2 0.129 4.089 3.960 -0.000 0.000 0.246 296 G HA3 0.129 4.089 3.960 -0.000 0.000 0.246 296 G C -0.331 174.625 174.900 0.095 0.000 1.205 296 G CA 0.121 45.316 45.100 0.157 0.000 0.891 296 G HN -0.064 nan 8.290 nan 0.000 0.515 297 D N 0.134 120.582 120.400 0.080 0.000 2.106 297 D HA -0.116 4.524 4.640 -0.000 0.000 0.191 297 D C 0.795 177.128 176.300 0.056 0.000 0.997 297 D CA 1.107 55.141 54.000 0.056 0.000 0.834 297 D CB -0.020 40.810 40.800 0.050 0.000 0.956 297 D HN 0.232 nan 8.370 nan 0.000 0.448 298 D N -0.628 119.815 120.400 0.073 0.000 2.586 298 D HA -0.074 4.566 4.640 -0.000 0.000 0.234 298 D C -1.535 174.810 176.300 0.075 0.000 1.132 298 D CA -0.738 53.309 54.000 0.078 0.000 0.860 298 D CB 1.278 42.137 40.800 0.100 0.000 1.159 298 D HN 0.194 nan 8.370 nan 0.000 0.490 299 P HA -0.052 nan 4.420 nan 0.000 0.236 299 P C 0.650 177.981 177.300 0.052 0.000 1.177 299 P CA 0.366 63.488 63.100 0.037 0.000 0.773 299 P CB 0.218 31.927 31.700 0.014 0.000 0.878 300 S N -2.149 113.622 115.700 0.118 0.000 2.614 300 S HA 0.096 4.566 4.470 -0.000 0.000 0.230 300 S C 1.283 176.063 174.600 0.299 0.000 0.952 300 S CA -0.411 57.903 58.200 0.190 0.000 0.949 300 S CB -0.638 62.758 63.200 0.327 0.000 0.786 300 S HN -0.156 nan 8.310 nan 0.000 0.478 301 D N 3.036 123.557 120.400 0.201 0.000 2.137 301 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 301 D C 1.768 178.177 176.300 0.182 0.000 0.993 301 D CA 1.368 55.492 54.000 0.207 0.000 0.846 301 D CB -0.212 40.673 40.800 0.141 0.000 0.990 301 D HN 0.460 nan 8.370 nan 0.000 0.448 302 K N -0.666 119.776 120.400 0.070 0.000 2.103 302 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 302 K C 2.293 178.919 176.600 0.043 0.000 1.048 302 K CA 0.835 57.125 56.287 0.004 0.000 0.930 302 K CB -0.338 32.123 32.500 -0.064 0.000 0.716 302 K HN 0.062 nan 8.250 nan 0.000 0.444 303 F N 0.389 120.275 119.950 -0.106 0.000 2.069 303 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 303 F C 1.454 177.088 175.800 -0.277 0.000 1.113 303 F CA 1.488 59.347 58.000 -0.235 0.000 1.214 303 F CB -0.254 38.515 39.000 -0.384 0.000 0.978 303 F HN -0.053 nan 8.300 nan 0.000 0.474 304 F N 0.153 120.111 119.950 0.014 0.000 2.802 304 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 304 F C 1.974 177.689 175.800 -0.142 0.000 1.168 304 F CA 1.051 58.983 58.000 -0.113 0.000 1.433 304 F CB -0.891 38.124 39.000 0.025 0.000 1.115 304 F HN 0.100 nan 8.300 nan 0.000 0.582 305 T N -3.963 110.598 114.554 0.010 0.000 3.145 305 T HA 0.211 4.561 4.350 -0.000 0.000 0.281 305 T C 0.552 175.119 174.700 -0.221 0.000 1.003 305 T CA -0.077 62.007 62.100 -0.028 0.000 0.901 305 T CB -0.582 68.404 68.868 0.198 0.000 1.112 305 T HN 0.037 nan 8.240 nan 0.000 0.535 306 S N 0.500 116.040 115.700 -0.266 0.000 2.632 306 S HA 0.467 4.937 4.470 -0.000 0.000 0.271 306 S C 0.180 174.527 174.600 -0.421 0.000 1.260 306 S CA -0.546 57.518 58.200 -0.228 0.000 1.010 306 S CB 0.934 64.045 63.200 -0.148 0.000 0.965 306 S HN 0.462 nan 8.310 nan 0.000 0.534 307 H N -0.756 118.338 119.070 0.040 0.000 3.058 307 H HA 0.363 4.919 4.556 -0.000 0.000 0.258 307 H C 0.245 175.423 175.328 -0.250 0.000 1.015 307 H CA -0.303 55.678 56.048 -0.111 0.000 1.210 307 H CB 0.025 29.621 29.762 -0.278 0.000 1.481 307 H HN 0.523 nan 8.280 nan 0.000 0.492 308 N N 1.145 119.778 118.700 -0.110 0.000 2.412 308 N HA 0.025 4.765 4.740 -0.000 0.000 0.258 308 N C 1.271 176.617 175.510 -0.274 0.000 1.236 308 N CA 1.507 54.348 53.050 -0.348 0.000 0.882 308 N CB 0.479 38.595 38.487 -0.619 0.000 1.066 308 N HN 0.681 nan 8.380 nan 0.000 0.465 309 G N 2.521 111.157 108.800 -0.274 0.000 2.179 309 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.260 309 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.260 309 G C 0.213 175.058 174.900 -0.092 0.000 0.977 309 G CA 0.230 45.227 45.100 -0.171 0.000 0.641 309 G HN 0.523 nan 8.290 nan 0.000 0.533 310 M N 1.019 120.575 119.600 -0.073 0.000 2.233 310 M HA 0.335 4.815 4.480 -0.000 0.000 0.350 310 M C 0.968 177.386 176.300 0.196 0.000 1.176 310 M CA 0.035 55.369 55.300 0.056 0.000 1.150 310 M CB 0.753 33.423 32.600 0.117 0.000 1.530 310 M HN 0.339 nan 8.290 nan 0.000 0.459 311 Q N 0.626 120.561 119.800 0.225 0.000 2.318 311 Q HA 0.363 4.703 4.340 -0.000 0.000 0.222 311 Q C -0.883 175.391 176.000 0.457 0.000 1.003 311 Q CA -0.411 55.591 55.803 0.332 0.000 0.936 311 Q CB 0.931 29.791 28.738 0.204 0.000 1.204 311 Q HN 0.484 nan 8.270 nan 0.000 0.524 312 F N 0.180 120.326 119.950 0.326 0.000 2.389 312 F HA 0.232 4.759 4.527 -0.000 0.000 0.337 312 F C -0.240 175.689 175.800 0.215 0.000 1.112 312 F CA 0.261 58.298 58.000 0.062 0.000 1.192 312 F CB 1.149 40.127 39.000 -0.037 0.000 1.185 312 F HN 0.271 nan 8.300 nan 0.000 0.552 313 S N 1.507 117.004 115.700 -0.339 0.000 2.549 313 S HA 0.706 5.176 4.470 -0.000 0.000 0.280 313 S C -0.862 173.631 174.600 -0.177 0.000 1.109 313 S CA -0.704 57.450 58.200 -0.077 0.000 0.905 313 S CB 1.924 65.091 63.200 -0.054 0.000 1.081 313 S HN 0.771 nan 8.310 nan 0.000 0.477 314 T N -0.839 113.761 114.554 0.076 0.000 2.896 314 T HA 0.446 4.796 4.350 -0.000 0.000 0.297 314 T C 1.193 175.926 174.700 0.055 0.000 1.108 314 T CA -1.071 61.074 62.100 0.074 0.000 1.004 314 T CB 0.844 69.838 68.868 0.209 0.000 1.159 314 T HN 0.853 nan 8.240 nan 0.000 0.499 315 W N 2.208 123.577 121.300 0.115 0.000 2.308 315 W HA -0.191 4.469 4.660 -0.000 0.000 0.301 315 W C 0.430 176.996 176.519 0.077 0.000 1.220 315 W CA 2.063 59.460 57.345 0.088 0.000 1.240 315 W CB -0.938 28.572 29.460 0.084 0.000 1.142 315 W HN 0.774 nan 8.180 nan 0.000 0.521 316 D N -0.287 119.602 120.400 -0.853 0.000 2.339 316 D HA 0.004 4.644 4.640 -0.000 0.000 0.217 316 D C -0.372 175.698 176.300 -0.383 0.000 1.050 316 D CA -0.005 53.491 54.000 -0.839 0.000 0.856 316 D CB -0.989 38.875 40.800 -1.560 0.000 0.922 316 D HN 0.325 nan 8.370 nan 0.000 0.518 317 N N 0.499 119.056 118.700 -0.238 0.000 2.722 317 N HA 0.017 4.757 4.740 -0.000 0.000 0.242 317 N C -1.656 173.765 175.510 -0.147 0.000 1.398 317 N CA -0.394 52.491 53.050 -0.275 0.000 0.755 317 N CB 0.665 38.853 38.487 -0.498 0.000 1.268 317 N HN -0.118 nan 8.380 nan 0.000 0.522 318 D N 1.296 121.636 120.400 -0.100 0.000 2.338 318 D HA 0.118 4.758 4.640 -0.000 0.000 0.255 318 D C -0.504 175.766 176.300 -0.049 0.000 1.237 318 D CA 0.344 54.322 54.000 -0.037 0.000 0.883 318 D CB 0.472 41.261 40.800 -0.018 0.000 1.087 318 D HN 0.545 nan 8.370 nan 0.000 0.485 319 N N 2.596 121.291 118.700 -0.008 0.000 2.451 319 N HA 0.116 4.856 4.740 -0.000 0.000 0.271 319 N C -0.962 174.581 175.510 0.054 0.000 1.410 319 N CA -0.610 52.444 53.050 0.006 0.000 0.884 319 N CB 0.667 39.161 38.487 0.012 0.000 1.332 319 N HN 0.422 nan 8.380 nan 0.000 0.498 320 D N -0.712 119.728 120.400 0.067 0.000 2.511 320 D HA 0.235 4.875 4.640 -0.000 0.000 0.276 320 D C 0.465 176.832 176.300 0.112 0.000 1.220 320 D CA -0.521 53.542 54.000 0.105 0.000 1.077 320 D CB 0.839 41.724 40.800 0.141 0.000 1.126 320 D HN -0.290 nan 8.370 nan 0.000 0.583 321 K N -0.690 119.799 120.400 0.148 0.000 2.570 321 K HA 0.209 4.529 4.320 -0.000 0.000 0.210 321 K C -0.826 175.883 176.600 0.183 0.000 1.048 321 K CA -0.434 55.955 56.287 0.171 0.000 1.167 321 K CB -0.470 32.174 32.500 0.240 0.000 0.892 321 K HN 0.367 nan 8.250 nan 0.000 0.480 322 F N 2.198 122.128 119.950 -0.033 0.000 2.522 322 F HA 0.219 4.746 4.527 -0.000 0.000 0.324 322 F C 1.081 176.847 175.800 -0.055 0.000 1.077 322 F CA -1.604 56.345 58.000 -0.085 0.000 0.944 322 F CB 1.534 40.479 39.000 -0.092 0.000 1.175 322 F HN -0.052 nan 8.300 nan 0.000 0.468 323 E N 2.217 122.213 120.200 -0.339 0.000 2.347 323 E HA 0.117 4.467 4.350 -0.000 0.000 0.196 323 E C 0.978 177.121 176.600 -0.762 0.000 1.008 323 E CA 0.589 56.734 56.400 -0.425 0.000 0.852 323 E CB -0.527 29.019 29.700 -0.257 0.000 0.783 323 E HN 0.631 nan 8.360 nan 0.000 0.505 324 G N 0.838 108.535 108.800 -1.838 0.000 2.671 324 G HA2 0.291 4.250 3.960 -0.000 0.000 0.275 324 G HA3 0.291 4.250 3.960 -0.000 0.000 0.275 324 G C -0.831 173.729 174.900 -0.567 0.000 1.368 324 G CA -0.851 43.431 45.100 -1.363 0.000 1.044 324 G HN 0.159 nan 8.290 nan 0.000 0.543 325 N N -0.934 117.693 118.700 -0.123 0.000 2.707 325 N HA 0.226 4.966 4.740 -0.000 0.000 0.235 325 N C 1.136 176.783 175.510 0.228 0.000 1.028 325 N CA -0.730 52.373 53.050 0.088 0.000 0.906 325 N CB 0.484 39.025 38.487 0.089 0.000 1.131 325 N HN 0.352 nan 8.380 nan 0.000 0.509 326 c N 1.773 120.555 118.600 0.303 0.000 2.388 326 c HA -0.229 4.341 4.570 -0.000 0.000 0.277 326 c C 2.813 177.006 174.090 0.171 0.000 1.210 326 c CA 1.446 57.901 56.329 0.210 0.000 1.743 326 c CB -1.239 41.366 42.510 0.159 0.000 2.047 326 c HN 0.893 nan 8.230 nan 0.000 0.458 327 A N 0.086 123.002 122.820 0.160 0.000 1.903 327 A HA -0.320 3.999 4.320 -0.000 0.000 0.219 327 A C 2.090 179.808 177.584 0.222 0.000 1.191 327 A CA 2.430 54.563 52.037 0.161 0.000 0.638 327 A CB -0.804 18.258 19.000 0.104 0.000 0.823 327 A HN 0.784 nan 8.150 nan 0.000 0.451 328 E N -0.681 119.665 120.200 0.244 0.000 2.047 328 E HA -0.225 4.124 4.350 -0.000 0.000 0.191 328 E C 2.213 178.926 176.600 0.189 0.000 0.987 328 E CA 1.177 57.727 56.400 0.250 0.000 0.799 328 E CB -0.194 29.654 29.700 0.247 0.000 0.752 328 E HN 0.768 nan 8.360 nan 0.000 0.449 329 Q N 0.162 120.079 119.800 0.195 0.000 2.030 329 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 329 Q C 1.288 177.420 176.000 0.219 0.000 0.986 329 Q CA 1.610 57.541 55.803 0.213 0.000 0.843 329 Q CB 0.003 28.881 28.738 0.234 0.000 0.904 329 Q HN 0.310 nan 8.270 nan 0.000 0.420 330 D N -0.756 119.769 120.400 0.207 0.000 2.336 330 D HA 0.085 4.725 4.640 -0.000 0.000 0.229 330 D C 0.334 176.780 176.300 0.243 0.000 1.061 330 D CA 0.645 54.789 54.000 0.241 0.000 0.875 330 D CB 0.051 40.980 40.800 0.214 0.000 0.904 330 D HN 0.393 nan 8.370 nan 0.000 0.525 331 G N 1.549 110.470 108.800 0.202 0.000 2.371 331 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.299 331 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.299 331 G C 0.336 175.357 174.900 0.202 0.000 1.014 331 G CA 0.890 46.097 45.100 0.179 0.000 1.097 331 G HN 0.509 nan 8.290 nan 0.000 0.512 332 S N -1.610 114.225 115.700 0.225 0.000 2.790 332 S HA 0.892 5.362 4.470 -0.000 0.000 0.292 332 S C -0.170 174.478 174.600 0.080 0.000 1.197 332 S CA -0.109 58.212 58.200 0.202 0.000 0.851 332 S CB 1.819 65.076 63.200 0.096 0.000 1.217 332 S HN 1.768 nan 8.310 nan 0.000 0.526 333 G N 0.154 108.817 108.800 -0.228 0.000 2.626 333 G HA2 0.605 4.565 3.960 -0.000 0.000 0.304 333 G HA3 0.605 4.565 3.960 -0.000 0.000 0.304 333 G C -1.446 172.824 174.900 -1.049 0.000 1.385 333 G CA -0.592 43.911 45.100 -0.996 0.000 0.957 333 G HN 0.659 nan 8.290 nan 0.000 0.504 334 W N 3.144 123.500 121.300 -1.573 0.000 2.982 334 W HA 0.314 4.974 4.660 -0.000 0.000 0.344 334 W C -1.320 174.610 176.519 -0.982 0.000 1.215 334 W CA -1.270 55.356 57.345 -1.199 0.000 1.182 334 W CB 1.222 30.499 29.460 -0.305 0.000 1.437 334 W HN 0.431 nan 8.180 nan 0.000 0.570 335 W N 5.138 125.967 121.300 -0.785 0.000 1.836 335 W HA 0.176 4.836 4.660 -0.000 0.000 0.449 335 W C 0.053 176.611 176.519 0.065 0.000 0.787 335 W CA -0.137 57.006 57.345 -0.337 0.000 1.729 335 W CB -0.309 28.911 29.460 -0.399 0.000 1.802 335 W HN -0.124 nan 8.180 nan 0.000 0.257 336 M N 1.667 121.416 119.600 0.247 0.000 2.233 336 M HA 0.017 4.497 4.480 -0.000 0.000 0.350 336 M C 0.995 177.423 176.300 0.212 0.000 1.176 336 M CA 0.375 55.862 55.300 0.312 0.000 1.150 336 M CB 0.921 33.644 32.600 0.204 0.000 1.530 336 M HN 0.259 nan 8.290 nan 0.000 0.459 337 N N 2.337 121.137 118.700 0.166 0.000 2.528 337 N HA 0.223 4.963 4.740 -0.000 0.000 0.208 337 N C -0.435 175.131 175.510 0.093 0.000 1.218 337 N CA 0.471 53.572 53.050 0.084 0.000 1.112 337 N CB 0.738 39.204 38.487 -0.035 0.000 1.423 337 N HN 0.636 nan 8.380 nan 0.000 0.497 338 K N 0.197 120.614 120.400 0.028 0.000 3.429 338 K HA 0.342 4.662 4.320 -0.000 0.000 0.166 338 K C -0.780 175.651 176.600 -0.282 0.000 1.079 338 K CA -0.224 55.969 56.287 -0.157 0.000 0.750 338 K CB -0.475 31.907 32.500 -0.195 0.000 0.883 338 K HN 0.313 nan 8.250 nan 0.000 0.549 339 c N -0.111 118.301 118.600 -0.313 0.000 2.426 339 c HA 0.349 4.918 4.570 -0.000 0.000 0.436 339 c C 0.132 174.239 174.090 0.029 0.000 1.380 339 c CA 0.189 56.409 56.329 -0.183 0.000 2.446 339 c CB -0.167 42.178 42.510 -0.274 0.000 2.794 339 c HN 0.890 nan 8.230 nan 0.000 0.559 340 H N -2.652 116.431 119.070 0.022 0.000 2.987 340 H HA 0.651 5.207 4.556 -0.000 0.000 0.316 340 H C -0.373 175.123 175.328 0.281 0.000 1.380 340 H CA 0.008 56.203 56.048 0.247 0.000 1.160 340 H CB 0.761 30.750 29.762 0.379 0.000 1.865 340 H HN -0.081 nan 8.280 nan 0.000 0.521 341 A N 0.836 124.059 122.820 0.671 0.000 2.242 341 A HA 0.583 4.903 4.320 -0.000 0.000 0.205 341 A C 0.835 178.625 177.584 0.345 0.000 1.353 341 A CA 0.438 52.778 52.037 0.505 0.000 1.005 341 A CB 0.109 19.287 19.000 0.297 0.000 1.127 341 A HN 1.074 nan 8.150 nan 0.000 0.498 342 G N -0.665 108.428 108.800 0.488 0.000 2.626 342 G HA2 0.523 4.483 3.960 -0.000 0.000 0.304 342 G HA3 0.523 4.483 3.960 -0.000 0.000 0.304 342 G C -1.217 173.750 174.900 0.112 0.000 1.385 342 G CA -0.124 45.044 45.100 0.114 0.000 0.957 342 G HN 0.313 nan 8.290 nan 0.000 0.504 343 H N 4.201 123.088 119.070 -0.305 0.000 2.651 343 H HA 0.190 4.746 4.556 -0.000 0.000 0.252 343 H C 0.334 175.163 175.328 -0.832 0.000 1.365 343 H CA -0.519 54.883 56.048 -1.077 0.000 1.539 343 H CB 0.906 30.002 29.762 -1.109 0.000 1.621 343 H HN 0.379 nan 8.280 nan 0.000 0.526 344 L N 1.678 122.260 121.223 -1.069 0.000 2.492 344 L HA 0.021 4.361 4.340 -0.000 0.000 0.223 344 L C 0.825 177.385 176.870 -0.515 0.000 1.132 344 L CA 0.347 54.904 54.840 -0.471 0.000 0.850 344 L CB -0.079 41.997 42.059 0.028 0.000 0.966 344 L HN 0.408 nan 8.230 nan 0.000 0.454 345 N N 0.591 118.837 118.700 -0.757 0.000 2.279 345 N HA 0.120 4.860 4.740 -0.000 0.000 0.226 345 N C 0.741 175.926 175.510 -0.542 0.000 1.126 345 N CA 0.079 52.878 53.050 -0.418 0.000 0.846 345 N CB 0.529 39.085 38.487 0.115 0.000 1.050 345 N HN 0.158 nan 8.380 nan 0.000 0.502 346 G N -0.424 107.884 108.800 -0.819 0.000 2.553 346 G HA2 0.262 4.222 3.960 -0.000 0.000 0.278 346 G HA3 0.262 4.222 3.960 -0.000 0.000 0.278 346 G C -0.047 174.708 174.900 -0.243 0.000 1.349 346 G CA -0.364 44.389 45.100 -0.580 0.000 1.037 346 G HN 0.014 nan 8.290 nan 0.000 0.508 347 V N 0.156 119.989 119.914 -0.134 0.000 2.585 347 V HA 0.057 4.177 4.120 -0.000 0.000 0.296 347 V C -0.196 175.712 176.094 -0.309 0.000 1.035 347 V CA -0.130 62.045 62.300 -0.208 0.000 1.084 347 V CB 0.638 32.284 31.823 -0.294 0.000 0.953 347 V HN 0.494 nan 8.190 nan 0.000 0.483 348 Y N 5.827 125.911 120.300 -0.360 0.000 2.359 348 Y HA 0.397 4.947 4.550 -0.000 0.000 0.334 348 Y C -0.559 175.105 175.900 -0.392 0.000 1.058 348 Y CA -0.365 57.589 58.100 -0.243 0.000 1.244 348 Y CB 0.511 38.903 38.460 -0.115 0.000 1.187 348 Y HN 0.561 nan 8.280 nan 0.000 0.510 349 Y N 4.264 124.391 120.300 -0.288 0.000 2.328 349 Y HA 0.272 4.822 4.550 -0.000 0.000 0.336 349 Y C -0.097 175.627 175.900 -0.293 0.000 0.960 349 Y CA -1.049 56.907 58.100 -0.239 0.000 1.134 349 Y CB 1.348 39.573 38.460 -0.392 0.000 1.166 349 Y HN 0.510 nan 8.280 nan 0.000 0.464 350 Q N 1.511 121.295 119.800 -0.026 0.000 2.300 350 Q HA 0.384 4.724 4.340 -0.000 0.000 0.280 350 Q C 1.031 176.545 176.000 -0.811 0.000 1.033 350 Q CA 1.617 57.261 55.803 -0.265 0.000 0.903 350 Q CB 0.539 29.256 28.738 -0.036 0.000 1.195 350 Q HN 0.958 nan 8.270 nan 0.000 0.386 351 G N 2.142 109.757 108.800 -1.975 0.000 2.217 351 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 351 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 351 G C 0.865 174.750 174.900 -1.692 0.000 0.990 351 G CA 0.443 44.580 45.100 -1.605 0.000 0.627 351 G HN 1.645 nan 8.290 nan 0.000 0.522 352 G N -1.287 106.532 108.800 -1.635 0.000 3.909 352 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 352 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 352 G C 0.700 175.211 174.900 -0.649 0.000 1.404 352 G CA 1.006 45.447 45.100 -1.099 0.000 0.905 352 G HN 1.808 nan 8.290 nan 0.000 0.589 353 T N 2.329 116.600 114.554 -0.471 0.000 2.916 353 T HA 0.532 4.882 4.350 -0.000 0.000 0.303 353 T C -0.192 174.481 174.700 -0.044 0.000 1.025 353 T CA 1.249 63.261 62.100 -0.147 0.000 1.142 353 T CB 0.673 69.485 68.868 -0.094 0.000 0.947 353 T HN 1.366 nan 8.240 nan 0.000 0.544 354 Y N -0.352 119.814 120.300 -0.224 0.000 2.689 354 Y HA 0.698 5.248 4.550 -0.000 0.000 0.333 354 Y C -0.596 175.210 175.900 -0.158 0.000 1.208 354 Y CA -1.535 56.382 58.100 -0.305 0.000 1.055 354 Y CB 0.700 38.673 38.460 -0.810 0.000 1.304 354 Y HN 0.686 nan 8.280 nan 0.000 0.455 355 S N 0.136 115.615 115.700 -0.368 0.000 2.811 355 S HA 0.390 4.860 4.470 -0.000 0.000 0.311 355 S C 0.207 174.424 174.600 -0.637 0.000 1.152 355 S CA -0.492 57.270 58.200 -0.731 0.000 0.864 355 S CB 1.832 64.690 63.200 -0.571 0.000 1.226 355 S HN 1.050 nan 8.310 nan 0.000 0.541 356 K N -0.319 119.475 120.400 -1.009 0.000 2.283 356 K HA 0.170 4.490 4.320 -0.000 0.000 0.202 356 K C 1.727 178.210 176.600 -0.195 0.000 1.048 356 K CA 1.114 57.127 56.287 -0.457 0.000 0.948 356 K CB -0.570 31.650 32.500 -0.467 0.000 0.742 356 K HN 0.580 nan 8.250 nan 0.000 0.458 357 A N 1.640 124.321 122.820 -0.232 0.000 2.066 357 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 357 A C 1.877 179.441 177.584 -0.033 0.000 1.157 357 A CA 1.181 53.144 52.037 -0.124 0.000 0.670 357 A CB -0.393 18.522 19.000 -0.142 0.000 0.804 357 A HN 0.500 nan 8.150 nan 0.000 0.453 358 S N -0.340 115.368 115.700 0.014 0.000 2.614 358 S HA 0.215 4.685 4.470 -0.000 0.000 0.230 358 S C 0.465 175.204 174.600 0.231 0.000 0.952 358 S CA 0.246 58.524 58.200 0.130 0.000 0.949 358 S CB -0.839 62.466 63.200 0.176 0.000 0.786 358 S HN 0.627 nan 8.310 nan 0.000 0.478 359 T N -0.966 113.696 114.554 0.181 0.000 2.876 359 T HA 0.543 4.893 4.350 -0.000 0.000 0.289 359 T C -1.921 172.848 174.700 0.116 0.000 1.014 359 T CA -1.741 60.487 62.100 0.214 0.000 0.986 359 T CB 2.083 71.127 68.868 0.293 0.000 1.021 359 T HN -0.102 nan 8.240 nan 0.000 0.458 360 P HA -0.071 nan 4.420 nan 0.000 0.216 360 P C 0.772 178.100 177.300 0.046 0.000 1.153 360 P CA 1.079 64.218 63.100 0.064 0.000 0.848 360 P CB 0.149 31.888 31.700 0.065 0.000 0.787 361 N N -0.979 117.766 118.700 0.075 0.000 2.336 361 N HA 0.059 4.799 4.740 -0.000 0.000 0.189 361 N C 1.444 176.874 175.510 -0.133 0.000 1.113 361 N CA 1.083 54.160 53.050 0.043 0.000 0.858 361 N CB 0.039 38.637 38.487 0.186 0.000 0.970 361 N HN 0.282 nan 8.380 nan 0.000 0.471 362 G N 0.318 109.070 108.800 -0.079 0.000 2.162 362 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 362 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 362 G C -0.438 174.368 174.900 -0.157 0.000 0.976 362 G CA 0.168 45.164 45.100 -0.173 0.000 0.655 362 G HN 0.311 nan 8.290 nan 0.000 0.533 363 Y N 1.541 121.964 120.300 0.206 0.000 2.420 363 Y HA 0.446 4.996 4.550 -0.000 0.000 0.334 363 Y C 0.599 176.633 175.900 0.223 0.000 1.094 363 Y CA -1.479 56.730 58.100 0.181 0.000 1.126 363 Y CB 0.938 39.435 38.460 0.061 0.000 1.217 363 Y HN 0.255 nan 8.280 nan 0.000 0.462 364 D N 1.594 122.071 120.400 0.127 0.000 2.368 364 D HA -0.062 4.577 4.640 -0.000 0.000 0.268 364 D C 0.017 176.431 176.300 0.189 0.000 1.298 364 D CA -0.049 53.832 54.000 -0.199 0.000 0.938 364 D CB 0.174 40.389 40.800 -0.975 0.000 1.101 364 D HN 0.689 nan 8.370 nan 0.000 0.509 365 N N 1.634 120.575 118.700 0.401 0.000 2.238 365 N HA 0.124 4.864 4.740 -0.000 0.000 0.235 365 N C 0.613 176.324 175.510 0.336 0.000 1.209 365 N CA -0.602 52.675 53.050 0.379 0.000 0.879 365 N CB 0.431 39.130 38.487 0.353 0.000 1.136 365 N HN 0.358 nan 8.380 nan 0.000 0.517 366 G N 0.441 109.398 108.800 0.262 0.000 2.508 366 G HA2 0.461 4.421 3.960 -0.000 0.000 0.278 366 G HA3 0.461 4.421 3.960 -0.000 0.000 0.278 366 G C -0.186 174.734 174.900 0.034 0.000 1.389 366 G CA -0.773 44.360 45.100 0.055 0.000 1.050 366 G HN 0.243 nan 8.290 nan 0.000 0.522 367 I N 1.520 122.065 120.570 -0.041 0.000 2.256 367 I HA 0.232 4.401 4.170 -0.000 0.000 0.294 367 I C 0.311 176.480 176.117 0.087 0.000 1.127 367 I CA 0.108 61.359 61.300 -0.080 0.000 1.247 367 I CB -0.353 37.572 38.000 -0.125 0.000 1.460 367 I HN 0.298 nan 8.210 nan 0.000 0.511 368 I N 2.230 122.883 120.570 0.138 0.000 2.863 368 I HA 0.582 4.752 4.170 -0.000 0.000 0.311 368 I C -1.109 175.241 176.117 0.389 0.000 1.026 368 I CA -0.606 60.850 61.300 0.260 0.000 1.077 368 I CB 2.819 40.950 38.000 0.218 0.000 1.262 368 I HN 0.587 nan 8.210 nan 0.000 0.461 369 W N 4.445 125.844 121.300 0.166 0.000 2.183 369 W HA 0.413 5.073 4.660 -0.000 0.000 0.289 369 W C 0.264 176.857 176.519 0.123 0.000 1.029 369 W CA -0.374 57.073 57.345 0.169 0.000 1.264 369 W CB 1.932 31.505 29.460 0.188 0.000 1.232 369 W HN 0.912 nan 8.180 nan 0.000 0.311 370 A N 1.532 124.310 122.820 -0.069 0.000 2.093 370 A HA -0.280 4.040 4.320 -0.000 0.000 0.222 370 A C 1.877 179.140 177.584 -0.534 0.000 1.162 370 A CA 2.808 54.649 52.037 -0.327 0.000 0.655 370 A CB -0.593 18.143 19.000 -0.439 0.000 0.805 370 A HN 0.541 nan 8.150 nan 0.000 0.461 371 T N -6.766 107.668 114.554 -0.201 0.000 3.100 371 T HA -0.002 4.348 4.350 -0.000 0.000 0.253 371 T C 1.163 176.032 174.700 0.282 0.000 1.118 371 T CA 0.939 63.073 62.100 0.057 0.000 1.058 371 T CB -0.145 68.794 68.868 0.119 0.000 0.953 371 T HN 0.628 nan 8.240 nan 0.000 0.515 372 W N 1.425 122.798 121.300 0.121 0.000 2.968 372 W HA 0.472 5.132 4.660 -0.000 0.000 0.253 372 W C -0.494 176.036 176.519 0.017 0.000 1.150 372 W CA -0.212 57.207 57.345 0.124 0.000 1.463 372 W CB 0.930 30.519 29.460 0.214 0.000 0.906 372 W HN -0.181 nan 8.180 nan 0.000 0.650 373 K N 0.149 120.557 120.400 0.014 0.000 2.532 373 K HA 0.208 4.528 4.320 -0.000 0.000 0.265 373 K C -0.538 176.024 176.600 -0.064 0.000 0.948 373 K CA -0.677 55.496 56.287 -0.191 0.000 0.842 373 K CB 1.235 33.570 32.500 -0.276 0.000 1.392 373 K HN -0.294 nan 8.250 nan 0.000 0.436 374 T N 0.602 115.118 114.554 -0.064 0.000 2.939 374 T HA -0.044 4.306 4.350 -0.000 0.000 0.319 374 T C 1.495 176.195 174.700 -0.001 0.000 1.082 374 T CA 0.379 62.471 62.100 -0.012 0.000 1.133 374 T CB 0.381 69.288 68.868 0.065 0.000 1.019 374 T HN 0.647 nan 8.240 nan 0.000 0.548 375 R N 2.243 122.659 120.500 -0.140 0.000 2.293 375 R HA -0.066 4.274 4.340 -0.000 0.000 0.219 375 R C 0.876 176.866 176.300 -0.515 0.000 1.091 375 R CA 1.304 57.216 56.100 -0.315 0.000 1.004 375 R CB -0.267 29.690 30.300 -0.572 0.000 0.865 375 R HN 0.770 nan 8.270 nan 0.000 0.469 376 W N -0.030 121.213 121.300 -0.095 0.000 3.305 376 W HA 0.220 4.879 4.660 -0.000 0.000 0.392 376 W C -0.507 175.940 176.519 -0.120 0.000 1.121 376 W CA -0.877 56.204 57.345 -0.440 0.000 1.909 376 W CB 0.178 29.363 29.460 -0.457 0.000 1.065 376 W HN 0.003 nan 8.180 nan 0.000 0.714 377 Y N 0.862 121.261 120.300 0.165 0.000 2.326 377 Y HA 0.494 5.044 4.550 -0.000 0.000 0.329 377 Y C -0.345 175.710 175.900 0.259 0.000 0.973 377 Y CA -1.332 56.887 58.100 0.200 0.000 1.162 377 Y CB 1.390 39.898 38.460 0.079 0.000 1.147 377 Y HN -0.292 nan 8.280 nan 0.000 0.456 378 S N 7.259 122.938 115.700 -0.034 0.000 2.442 378 S HA 0.515 4.985 4.470 -0.000 0.000 0.297 378 S C -0.261 174.396 174.600 0.095 0.000 1.131 378 S CA -0.902 57.321 58.200 0.039 0.000 1.092 378 S CB 0.145 63.303 63.200 -0.070 0.000 0.998 378 S HN 0.663 nan 8.310 nan 0.000 0.478 379 M N 4.077 123.780 119.600 0.172 0.000 2.247 379 M HA 0.082 4.562 4.480 -0.000 0.000 0.318 379 M C 1.402 177.644 176.300 -0.097 0.000 1.054 379 M CA 0.593 55.983 55.300 0.149 0.000 1.117 379 M CB -0.118 32.546 32.600 0.107 0.000 1.515 379 M HN 0.783 nan 8.290 nan 0.000 0.442 380 K N 1.322 121.468 120.400 -0.422 0.000 2.202 380 K HA 0.074 4.394 4.320 -0.000 0.000 0.201 380 K C -0.106 176.292 176.600 -0.336 0.000 1.051 380 K CA 0.999 56.725 56.287 -0.934 0.000 0.977 380 K CB 0.629 32.121 32.500 -1.681 0.000 0.792 380 K HN 0.535 nan 8.250 nan 0.000 0.469 381 K N 0.298 120.563 120.400 -0.224 0.000 2.464 381 K HA 0.291 4.611 4.320 -0.000 0.000 0.253 381 K C -1.473 175.050 176.600 -0.129 0.000 0.933 381 K CA -0.656 55.550 56.287 -0.134 0.000 0.801 381 K CB 2.437 34.843 32.500 -0.157 0.000 1.271 381 K HN -0.178 nan 8.250 nan 0.000 0.430 382 T N 1.094 115.567 114.554 -0.135 0.000 2.952 382 T HA 0.469 4.818 4.350 -0.000 0.000 0.305 382 T C -1.302 173.274 174.700 -0.207 0.000 1.064 382 T CA -0.514 61.484 62.100 -0.170 0.000 1.008 382 T CB 1.818 70.603 68.868 -0.138 0.000 1.078 382 T HN 0.508 nan 8.240 nan 0.000 0.459 383 T N 3.594 117.996 114.554 -0.254 0.000 2.991 383 T HA 0.504 4.854 4.350 -0.000 0.000 0.303 383 T C -0.739 173.751 174.700 -0.349 0.000 1.015 383 T CA -0.612 61.312 62.100 -0.294 0.000 1.007 383 T CB 0.985 69.680 68.868 -0.289 0.000 1.034 383 T HN 0.440 nan 8.240 nan 0.000 0.446 384 M N 4.374 123.708 119.600 -0.443 0.000 2.078 384 M HA 0.446 4.926 4.480 -0.000 0.000 0.320 384 M C -0.344 175.478 176.300 -0.797 0.000 0.969 384 M CA -0.729 54.181 55.300 -0.651 0.000 0.929 384 M CB 1.460 33.553 32.600 -0.844 0.000 1.504 384 M HN 0.508 nan 8.290 nan 0.000 0.419 385 K N 4.338 124.471 120.400 -0.446 0.000 2.426 385 K HA 0.883 5.203 4.320 -0.000 0.000 0.251 385 K C -1.210 175.527 176.600 0.228 0.000 0.941 385 K CA -0.914 55.311 56.287 -0.104 0.000 0.808 385 K CB 2.529 34.995 32.500 -0.055 0.000 1.265 385 K HN 0.781 nan 8.250 nan 0.000 0.432 386 I N -0.520 120.308 120.570 0.431 0.000 2.740 386 I HA 0.724 4.894 4.170 -0.000 0.000 0.303 386 I C -0.940 175.445 176.117 0.447 0.000 1.044 386 I CA -1.238 60.345 61.300 0.473 0.000 1.064 386 I CB 1.905 40.140 38.000 0.392 0.000 1.249 386 I HN 0.853 nan 8.210 nan 0.000 0.433 387 I N 3.466 124.231 120.570 0.325 0.000 2.984 387 I HA 0.501 4.671 4.170 -0.000 0.000 0.303 387 I C -2.806 173.268 176.117 -0.072 0.000 1.381 387 I CA -2.193 59.084 61.300 -0.038 0.000 0.988 387 I CB 3.361 40.819 38.000 -0.902 0.000 1.307 387 I HN 0.404 nan 8.210 nan 0.000 0.460 388 P HA 0.054 nan 4.420 nan 0.000 0.267 388 P C 0.051 177.221 177.300 -0.217 0.000 1.205 388 P CA 0.185 62.959 63.100 -0.543 0.000 0.765 388 P CB 0.259 31.678 31.700 -0.468 0.000 0.828 389 F N 5.339 125.137 119.950 -0.253 0.000 2.087 389 F HA -0.300 4.227 4.527 -0.000 0.000 0.299 389 F C 1.726 177.448 175.800 -0.131 0.000 1.100 389 F CA 2.390 60.311 58.000 -0.132 0.000 1.226 389 F CB -1.097 37.865 39.000 -0.064 0.000 0.983 389 F HN 0.383 nan 8.300 nan 0.000 0.479 390 N N -0.080 118.509 118.700 -0.185 0.000 2.586 390 N HA -0.232 4.508 4.740 -0.000 0.000 0.191 390 N C 1.524 176.867 175.510 -0.279 0.000 1.085 390 N CA 1.174 54.066 53.050 -0.263 0.000 0.921 390 N CB -0.597 37.803 38.487 -0.144 0.000 0.954 390 N HN 0.194 nan 8.380 nan 0.000 0.448 391 R N -0.161 120.167 120.500 -0.287 0.000 2.246 391 R HA 0.311 4.651 4.340 -0.000 0.000 0.199 391 R C 1.448 177.587 176.300 -0.268 0.000 0.984 391 R CA 0.565 56.498 56.100 -0.277 0.000 1.015 391 R CB -0.005 30.093 30.300 -0.335 0.000 0.930 391 R HN 0.374 nan 8.270 nan 0.000 0.475 392 L N -0.642 120.397 121.223 -0.306 0.000 2.286 392 L HA 0.192 4.532 4.340 -0.000 0.000 0.203 392 L C 1.159 177.880 176.870 -0.249 0.000 1.068 392 L CA 0.497 55.201 54.840 -0.227 0.000 0.811 392 L CB -0.753 41.204 42.059 -0.171 0.000 0.989 392 L HN 0.161 nan 8.230 nan 0.000 0.467 393 T N 0.000 114.316 114.554 -0.397 0.000 3.816 393 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 393 T CA 0.000 61.906 62.100 -0.323 0.000 1.349 393 T CB 0.000 68.636 68.868 -0.386 0.000 0.612 393 T HN 0.000 nan 8.240 nan 0.000 0.658