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 2ny5_1_G DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNWcKNDMVE QMHEDIcSLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNKT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAEEEVVI RScNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNXXXXX XXXXXXXGSD TITLPcRIKQ IINMWcKVGK DATA SEQUENCE MMYAPPISGQ IRcSSNITGL LLTRDGGNSN NESEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKI 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 83 E HA 0.000 nan 4.350 nan 0.000 0.291 83 E C 0.000 176.618 176.600 0.030 0.000 1.382 83 E CA 0.000 56.422 56.400 0.036 0.000 0.976 83 E CB 0.000 29.727 29.700 0.045 0.000 0.812 84 V N 3.971 123.906 119.914 0.035 0.000 2.349 84 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 84 V C 0.161 176.273 176.094 0.030 0.000 1.014 84 V CA -0.650 61.667 62.300 0.030 0.000 0.826 84 V CB 1.078 32.920 31.823 0.031 0.000 1.009 84 V HN 0.337 nan 8.190 nan 0.000 0.431 85 V N 3.963 123.890 119.914 0.021 0.000 3.083 85 V HA 0.747 4.867 4.120 -0.000 0.000 0.306 85 V C -0.461 175.643 176.094 0.016 0.000 1.077 85 V CA -0.555 61.754 62.300 0.016 0.000 1.073 85 V CB 1.438 33.266 31.823 0.007 0.000 1.081 85 V HN 0.528 nan 8.190 nan 0.000 0.474 86 L N 2.677 123.909 121.223 0.014 0.000 2.401 86 L HA 0.845 5.185 4.340 -0.000 0.000 0.266 86 L C -0.258 176.618 176.870 0.010 0.000 0.991 86 L CA -0.373 54.477 54.840 0.016 0.000 0.818 86 L CB 2.103 44.176 42.059 0.024 0.000 1.321 86 L HN 0.888 nan 8.230 nan 0.000 0.413 87 V N -1.080 118.840 119.914 0.010 0.000 2.962 87 V HA 0.668 4.788 4.120 -0.000 0.000 0.313 87 V C -0.120 175.980 176.094 0.010 0.000 1.099 87 V CA -0.908 61.396 62.300 0.007 0.000 0.971 87 V CB 1.864 33.690 31.823 0.004 0.000 1.028 87 V HN 0.730 nan 8.190 nan 0.000 0.430 88 N N -0.361 118.345 118.700 0.009 0.000 2.725 88 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 88 N C -0.611 174.909 175.510 0.016 0.000 1.103 88 N CA 1.150 54.207 53.050 0.012 0.000 0.707 88 N CB -1.055 37.438 38.487 0.010 0.000 1.043 88 N HN 0.887 nan 8.380 nan 0.000 0.553 89 V N -0.082 119.843 119.914 0.019 0.000 2.569 89 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 89 V C 0.266 176.381 176.094 0.035 0.000 1.044 89 V CA -0.654 61.662 62.300 0.027 0.000 0.874 89 V CB 2.114 33.954 31.823 0.028 0.000 1.002 89 V HN 0.226 nan 8.190 nan 0.000 0.424 90 T N 3.902 118.482 114.554 0.042 0.000 2.795 90 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 90 T C -0.713 174.035 174.700 0.080 0.000 0.980 90 T CA -0.374 61.761 62.100 0.058 0.000 1.012 90 T CB 1.069 69.970 68.868 0.055 0.000 0.936 90 T HN 0.629 nan 8.240 nan 0.000 0.457 91 E N 3.948 124.223 120.200 0.126 0.000 2.218 91 E HA 0.303 4.653 4.350 -0.000 0.000 0.263 91 E C -0.834 175.926 176.600 0.267 0.000 0.879 91 E CA -0.775 55.720 56.400 0.158 0.000 0.762 91 E CB 1.400 31.206 29.700 0.176 0.000 1.166 91 E HN 0.651 nan 8.360 nan 0.000 0.415 92 N N 2.939 121.746 118.700 0.178 0.000 2.430 92 N HA 0.203 4.943 4.740 -0.000 0.000 0.265 92 N C -0.553 175.102 175.510 0.242 0.000 1.100 92 N CA 0.153 53.345 53.050 0.237 0.000 0.961 92 N CB 0.166 38.739 38.487 0.144 0.000 1.075 92 N HN 0.206 nan 8.380 nan 0.000 0.478 93 F N 0.971 121.058 119.950 0.228 0.000 2.440 93 F HA 0.382 4.909 4.527 0.000 0.000 0.328 93 F C 0.851 176.808 175.800 0.262 0.000 1.070 93 F CA -0.829 57.339 58.000 0.279 0.000 1.011 93 F CB 1.054 40.341 39.000 0.477 0.000 1.226 93 F HN 0.285 nan 8.300 nan 0.000 0.491 94 N N 1.921 120.856 118.700 0.392 0.000 2.621 94 N HA 0.064 4.804 4.740 -0.000 0.000 0.271 94 N C 0.145 175.847 175.510 0.320 0.000 1.181 94 N CA -0.675 52.562 53.050 0.311 0.000 0.805 94 N CB 0.493 39.071 38.487 0.151 0.000 1.351 94 N HN 0.667 nan 8.380 nan 0.000 0.539 95 W N 2.231 123.636 121.300 0.174 0.000 2.595 95 W HA 0.101 4.761 4.660 0.000 0.000 0.257 95 W C 0.050 176.630 176.519 0.102 0.000 1.267 95 W CA 0.102 57.550 57.345 0.173 0.000 1.300 95 W CB -1.279 28.295 29.460 0.190 0.000 1.120 95 W HN 0.400 nan 8.180 nan 0.000 0.618 96 c N 1.574 119.857 118.600 -0.527 0.000 2.626 96 c HA 0.212 4.782 4.570 -0.000 0.000 0.266 96 c C 1.049 175.001 174.090 -0.230 0.000 1.317 96 c CA 0.291 56.280 56.329 -0.567 0.000 1.716 96 c CB -0.968 41.155 42.510 -0.646 0.000 1.819 96 c HN 0.000 nan 8.230 nan 0.000 0.578 97 K N 2.333 122.674 120.400 -0.098 0.000 2.954 97 K HA 0.235 4.555 4.320 -0.000 0.000 0.171 97 K C -1.125 175.476 176.600 0.001 0.000 1.079 97 K CA 0.244 56.506 56.287 -0.042 0.000 0.908 97 K CB 0.282 32.767 32.500 -0.025 0.000 1.142 97 K HN 0.206 nan 8.250 nan 0.000 0.613 98 N N 1.587 120.292 118.700 0.009 0.000 2.448 98 N HA 0.147 4.887 4.740 -0.000 0.000 0.279 98 N C 0.155 175.663 175.510 -0.003 0.000 1.025 98 N CA -0.240 52.827 53.050 0.027 0.000 0.898 98 N CB 1.402 39.948 38.487 0.099 0.000 1.303 98 N HN 0.049 nan 8.380 nan 0.000 0.495 99 D N 3.052 123.429 120.400 -0.039 0.000 2.218 99 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 99 D C 1.608 177.871 176.300 -0.061 0.000 0.976 99 D CA 1.194 55.163 54.000 -0.051 0.000 0.853 99 D CB 0.248 40.988 40.800 -0.100 0.000 0.939 99 D HN 0.654 nan 8.370 nan 0.000 0.481 100 M N -0.089 119.421 119.600 -0.151 0.000 2.213 100 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 100 M C 2.271 178.494 176.300 -0.128 0.000 1.062 100 M CA 0.750 55.843 55.300 -0.346 0.000 1.105 100 M CB -0.103 32.135 32.600 -0.604 0.000 1.385 100 M HN -0.120 nan 8.290 nan 0.000 0.417 101 V N 0.481 120.397 119.914 0.003 0.000 2.358 101 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 101 V C 2.408 178.619 176.094 0.194 0.000 1.047 101 V CA 1.668 64.051 62.300 0.138 0.000 1.035 101 V CB -0.602 31.311 31.823 0.151 0.000 0.658 101 V HN 0.418 nan 8.190 nan 0.000 0.452 102 E N -0.166 120.112 120.200 0.131 0.000 2.046 102 E HA -0.240 4.110 4.350 -0.000 0.000 0.190 102 E C 2.150 178.867 176.600 0.196 0.000 0.982 102 E CA 1.280 57.779 56.400 0.165 0.000 0.800 102 E CB -0.421 29.337 29.700 0.097 0.000 0.756 102 E HN 0.597 nan 8.360 nan 0.000 0.449 103 Q N 1.012 120.902 119.800 0.150 0.000 2.061 103 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 103 Q C 2.181 178.286 176.000 0.175 0.000 0.984 103 Q CA 1.883 57.789 55.803 0.172 0.000 0.846 103 Q CB -0.383 28.506 28.738 0.252 0.000 0.902 103 Q HN 0.314 nan 8.270 nan 0.000 0.421 104 M N -1.151 118.546 119.600 0.163 0.000 2.159 104 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 104 M C 1.800 178.114 176.300 0.023 0.000 1.063 104 M CA 2.051 57.372 55.300 0.036 0.000 1.110 104 M CB -0.245 32.289 32.600 -0.110 0.000 1.374 104 M HN 0.446 nan 8.290 nan 0.000 0.411 105 H N 0.255 119.405 119.070 0.133 0.000 2.421 105 H HA -0.097 4.459 4.556 -0.000 0.000 0.298 105 H C 1.644 177.135 175.328 0.273 0.000 1.087 105 H CA 2.343 58.603 56.048 0.355 0.000 1.330 105 H CB 0.073 30.090 29.762 0.425 0.000 1.388 105 H HN 0.560 nan 8.280 nan 0.000 0.526 106 E N -0.575 119.714 120.200 0.149 0.000 2.112 106 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 106 E C 1.610 178.240 176.600 0.050 0.000 0.979 106 E CA 0.856 57.292 56.400 0.060 0.000 0.814 106 E CB 0.192 29.943 29.700 0.085 0.000 0.762 106 E HN 0.538 nan 8.360 nan 0.000 0.460 107 D N 0.785 121.217 120.400 0.054 0.000 2.117 107 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 107 D C 1.875 178.214 176.300 0.065 0.000 0.987 107 D CA 0.803 54.824 54.000 0.035 0.000 0.829 107 D CB -0.041 40.760 40.800 0.002 0.000 0.961 107 D HN 0.119 nan 8.370 nan 0.000 0.460 108 I N 0.741 121.362 120.570 0.085 0.000 2.202 108 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 108 I C 2.609 178.983 176.117 0.429 0.000 1.091 108 I CA 0.522 61.965 61.300 0.238 0.000 1.368 108 I CB -1.297 36.844 38.000 0.236 0.000 1.058 108 I HN 0.106 nan 8.210 nan 0.000 0.410 109 c N 0.365 119.127 118.600 0.270 0.000 2.393 109 c HA -0.204 4.366 4.570 -0.000 0.000 0.276 109 c C 3.386 177.565 174.090 0.148 0.000 1.215 109 c CA 1.732 58.139 56.329 0.130 0.000 1.743 109 c CB -1.038 41.402 42.510 -0.115 0.000 2.044 109 c HN 0.619 nan 8.230 nan 0.000 0.464 110 S N -0.013 115.748 115.700 0.101 0.000 2.374 110 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 110 S C 1.752 176.422 174.600 0.117 0.000 1.037 110 S CA 1.822 60.072 58.200 0.083 0.000 1.024 110 S CB -0.383 62.849 63.200 0.052 0.000 0.861 110 S HN 0.473 nan 8.310 nan 0.000 0.456 111 L N -0.065 121.244 121.223 0.144 0.000 2.027 111 L HA 0.143 4.483 4.340 -0.000 0.000 0.206 111 L C 2.068 179.007 176.870 0.114 0.000 1.074 111 L CA 1.807 56.701 54.840 0.089 0.000 0.745 111 L CB -0.778 41.298 42.059 0.029 0.000 0.898 111 L HN 0.468 nan 8.230 nan 0.000 0.433 112 W N 0.156 121.574 121.300 0.197 0.000 2.355 112 W HA -0.216 4.444 4.660 -0.000 0.000 0.309 112 W C 2.537 179.186 176.519 0.217 0.000 1.206 112 W CA 1.636 59.144 57.345 0.272 0.000 1.284 112 W CB -0.681 29.084 29.460 0.508 0.000 1.145 112 W HN 0.344 nan 8.180 nan 0.000 0.502 113 D N 0.443 121.057 120.400 0.358 0.000 2.160 113 D HA -0.317 4.323 4.640 -0.000 0.000 0.189 113 D C 2.043 178.451 176.300 0.179 0.000 1.003 113 D CA 2.690 56.813 54.000 0.205 0.000 0.846 113 D CB -0.608 40.251 40.800 0.098 0.000 0.949 113 D HN 0.418 nan 8.370 nan 0.000 0.446 114 Q N -0.705 119.178 119.800 0.138 0.000 2.331 114 Q HA 0.043 4.383 4.340 -0.000 0.000 0.203 114 Q C 2.020 178.080 176.000 0.101 0.000 0.944 114 Q CA 1.067 56.929 55.803 0.098 0.000 0.892 114 Q CB 0.023 28.799 28.738 0.063 0.000 0.983 114 Q HN 0.126 nan 8.270 nan 0.000 0.482 115 S N 0.727 116.496 115.700 0.115 0.000 2.348 115 S HA 0.138 4.608 4.470 -0.000 0.000 0.219 115 S C 0.764 175.461 174.600 0.162 0.000 1.033 115 S CA 0.301 58.564 58.200 0.106 0.000 0.974 115 S CB 0.124 63.346 63.200 0.036 0.000 0.868 115 S HN 0.353 nan 8.310 nan 0.000 0.459 116 L N 2.833 124.205 121.223 0.248 0.000 2.313 116 L HA 0.353 4.693 4.340 -0.000 0.000 0.273 116 L C -1.239 175.884 176.870 0.422 0.000 1.028 116 L CA -0.350 54.694 54.840 0.340 0.000 0.871 116 L CB 0.761 43.080 42.059 0.434 0.000 1.242 116 L HN 0.085 nan 8.230 nan 0.000 0.434 117 K N 5.504 126.098 120.400 0.323 0.000 2.211 117 K HA 0.483 4.803 4.320 -0.000 0.000 0.275 117 K C -2.520 174.219 176.600 0.233 0.000 1.024 117 K CA -1.756 54.679 56.287 0.246 0.000 0.887 117 K CB 1.083 33.669 32.500 0.142 0.000 1.084 117 K HN 0.264 nan 8.250 nan 0.000 0.463 118 P HA 0.165 nan 4.420 nan 0.000 0.284 118 P C 0.144 177.360 177.300 -0.140 0.000 1.253 118 P CA -0.664 62.253 63.100 -0.305 0.000 0.800 118 P CB 0.834 32.210 31.700 -0.539 0.000 0.961 119 c N 1.443 119.969 118.600 -0.125 0.000 2.425 119 c HA 0.024 4.594 4.570 -0.000 0.000 0.277 119 c C 1.090 175.140 174.090 -0.067 0.000 1.280 119 c CA 0.452 56.750 56.329 -0.051 0.000 1.744 119 c CB -0.659 41.842 42.510 -0.016 0.000 1.989 119 c HN 0.343 nan 8.230 nan 0.000 0.491 120 V N 0.217 120.062 119.914 -0.115 0.000 2.808 120 V HA 0.374 4.494 4.120 -0.000 0.000 0.308 120 V C -0.782 175.241 176.094 -0.119 0.000 1.099 120 V CA -0.656 61.590 62.300 -0.091 0.000 0.920 120 V CB 1.969 33.752 31.823 -0.067 0.000 1.014 120 V HN 0.214 nan 8.190 nan 0.000 0.425 121 K N 4.245 124.594 120.400 -0.085 0.000 2.323 121 K HA 0.701 5.021 4.320 -0.000 0.000 0.259 121 K C -1.729 174.835 176.600 -0.059 0.000 0.947 121 K CA -0.795 55.444 56.287 -0.080 0.000 0.819 121 K CB 1.884 34.345 32.500 -0.065 0.000 1.109 121 K HN 0.284 nan 8.250 nan 0.000 0.429 122 L N 3.184 124.372 121.223 -0.059 0.000 2.349 122 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 122 L C 0.006 176.849 176.870 -0.045 0.000 0.996 122 L CA -0.450 54.362 54.840 -0.047 0.000 0.825 122 L CB 1.180 43.212 42.059 -0.044 0.000 1.243 122 L HN 0.759 nan 8.230 nan 0.000 0.412 123 T N 1.422 115.954 114.554 -0.037 0.000 2.876 123 T HA 0.751 5.101 4.350 -0.000 0.000 0.289 123 T C -2.785 171.898 174.700 -0.027 0.000 1.014 123 T CA -1.989 60.090 62.100 -0.035 0.000 0.986 123 T CB 2.366 71.214 68.868 -0.035 0.000 1.021 123 T HN 0.277 nan 8.240 nan 0.000 0.458 124 P HA 0.417 nan 4.420 nan 0.000 0.274 124 P C -1.055 176.235 177.300 -0.017 0.000 1.231 124 P CA -0.641 62.447 63.100 -0.020 0.000 0.790 124 P CB 0.826 32.515 31.700 -0.019 0.000 0.951 125 L N 3.603 124.817 121.223 -0.014 0.000 2.573 125 L HA 0.324 4.664 4.340 -0.000 0.000 0.260 125 L C -1.010 175.854 176.870 -0.010 0.000 0.997 125 L CA -0.180 54.653 54.840 -0.012 0.000 0.890 125 L CB 0.432 42.484 42.059 -0.011 0.000 1.179 125 L HN 0.305 nan 8.230 nan 0.000 0.439 126 c N 3.707 122.302 118.600 -0.009 0.000 2.641 126 c HA 0.250 4.820 4.570 -0.000 0.000 0.294 126 c C 1.768 175.854 174.090 -0.006 0.000 1.496 126 c CA -0.148 56.176 56.329 -0.008 0.000 1.672 126 c CB -0.341 42.164 42.510 -0.008 0.000 2.763 126 c HN 0.740 nan 8.230 nan 0.000 0.545 127 V N 2.085 121.996 119.914 -0.005 0.000 2.358 127 V HA 0.108 4.228 4.120 -0.000 0.000 0.246 127 V C 1.571 177.663 176.094 -0.004 0.000 1.047 127 V CA 2.227 64.525 62.300 -0.004 0.000 1.035 127 V CB -0.518 31.302 31.823 -0.004 0.000 0.658 127 V HN 0.677 nan 8.190 nan 0.000 0.452 128 G N -0.099 108.699 108.800 -0.004 0.000 2.378 128 G HA2 0.529 4.489 3.960 -0.000 0.000 0.255 128 G HA3 0.529 4.489 3.960 -0.000 0.000 0.255 128 G C 0.048 174.945 174.900 -0.004 0.000 1.270 128 G CA 0.249 45.346 45.100 -0.004 0.000 0.876 128 G HN 0.831 nan 8.290 nan 0.000 0.521 195 S N -0.166 115.531 115.700 -0.006 0.000 2.548 195 S HA 0.478 4.948 4.470 -0.000 0.000 0.277 195 S C 0.113 174.708 174.600 -0.007 0.000 1.315 195 S CA -0.318 57.878 58.200 -0.006 0.000 1.050 195 S CB 0.061 63.257 63.200 -0.006 0.000 0.918 195 S HN 0.626 nan 8.310 nan 0.000 0.497 196 c N 5.013 123.608 118.600 -0.008 0.000 2.365 196 c HA 0.518 5.088 4.570 -0.000 0.000 0.351 196 c C 0.340 174.424 174.090 -0.010 0.000 1.240 196 c CA -0.872 55.451 56.329 -0.009 0.000 2.062 196 c CB 0.311 42.815 42.510 -0.010 0.000 2.387 196 c HN 0.860 nan 8.230 nan 0.000 0.537 197 N N 1.609 120.303 118.700 -0.010 0.000 2.524 197 N HA 0.270 5.010 4.740 -0.000 0.000 0.261 197 N C -0.859 174.644 175.510 -0.013 0.000 0.998 197 N CA -0.006 53.037 53.050 -0.011 0.000 0.915 197 N CB 1.565 40.047 38.487 -0.009 0.000 1.187 197 N HN 0.654 nan 8.380 nan 0.000 0.507 198 T N 1.168 115.714 114.554 -0.015 0.000 2.814 198 T HA 0.057 4.407 4.350 -0.000 0.000 0.297 198 T C 0.644 175.333 174.700 -0.018 0.000 0.956 198 T CA 0.126 62.215 62.100 -0.018 0.000 1.123 198 T CB 0.595 69.451 68.868 -0.020 0.000 0.902 198 T HN 0.294 nan 8.240 nan 0.000 0.528 199 S N 3.220 118.909 115.700 -0.019 0.000 2.489 199 S HA 0.463 4.933 4.470 -0.000 0.000 0.277 199 S C -0.297 174.289 174.600 -0.023 0.000 1.230 199 S CA -0.738 57.450 58.200 -0.019 0.000 1.053 199 S CB 0.125 63.314 63.200 -0.018 0.000 0.955 199 S HN 0.467 nan 8.310 nan 0.000 0.488 200 V N 6.918 126.819 119.914 -0.021 0.000 2.555 200 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 200 V C -0.244 175.836 176.094 -0.023 0.000 1.038 200 V CA -0.682 61.603 62.300 -0.024 0.000 0.887 200 V CB 1.571 33.381 31.823 -0.022 0.000 0.991 200 V HN 0.845 nan 8.190 nan 0.000 0.434 201 I N 2.990 123.544 120.570 -0.027 0.000 2.498 201 I HA 0.512 4.681 4.170 -0.000 0.000 0.290 201 I C -0.392 175.709 176.117 -0.027 0.000 1.032 201 I CA -0.218 61.068 61.300 -0.024 0.000 1.073 201 I CB 2.545 40.532 38.000 -0.022 0.000 1.251 201 I HN 0.544 nan 8.210 nan 0.000 0.426 202 T N 5.897 120.439 114.554 -0.019 0.000 2.812 202 T HA 0.557 4.907 4.350 -0.000 0.000 0.282 202 T C -0.805 173.889 174.700 -0.010 0.000 0.990 202 T CA -0.742 61.347 62.100 -0.018 0.000 0.960 202 T CB 1.551 70.411 68.868 -0.014 0.000 0.948 202 T HN 0.670 nan 8.240 nan 0.000 0.438 203 Q N 1.116 120.912 119.800 -0.007 0.000 2.534 203 Q HA 0.770 5.110 4.340 -0.000 0.000 0.290 203 Q C -1.283 174.723 176.000 0.011 0.000 0.991 203 Q CA -1.498 54.307 55.803 0.003 0.000 0.783 203 Q CB 1.648 30.390 28.738 0.007 0.000 1.470 203 Q HN 0.647 nan 8.270 nan 0.000 0.406 204 A N 0.653 123.484 122.820 0.018 0.000 2.520 204 A HA 0.401 4.721 4.320 -0.000 0.000 0.245 204 A C 0.343 177.952 177.584 0.042 0.000 1.072 204 A CA -0.157 51.896 52.037 0.026 0.000 0.761 204 A CB -0.536 18.478 19.000 0.023 0.000 1.004 204 A HN 0.864 nan 8.150 nan 0.000 0.499 205 c N 2.235 120.867 118.600 0.054 0.000 2.787 205 c HA 0.597 5.167 4.570 -0.000 0.000 0.265 205 c C -2.510 171.640 174.090 0.099 0.000 1.190 205 c CA -2.254 54.128 56.329 0.088 0.000 1.616 205 c CB -0.845 41.722 42.510 0.096 0.000 1.732 205 c HN 0.671 nan 8.230 nan 0.000 0.433 206 P HA 0.224 nan 4.420 nan 0.000 0.271 206 P C -0.202 177.153 177.300 0.092 0.000 1.216 206 P CA 0.415 63.558 63.100 0.070 0.000 0.776 206 P CB 0.716 32.443 31.700 0.046 0.000 0.881 207 K N 1.848 122.295 120.400 0.079 0.000 2.368 207 K HA 0.359 4.679 4.320 -0.000 0.000 0.282 207 K C -0.339 176.300 176.600 0.064 0.000 1.035 207 K CA -0.243 56.094 56.287 0.083 0.000 0.973 207 K CB 0.614 33.155 32.500 0.068 0.000 0.957 207 K HN 0.202 nan 8.250 nan 0.000 0.474 208 V N 1.555 121.518 119.914 0.081 0.000 2.808 208 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 208 V C -0.852 175.321 176.094 0.131 0.000 1.099 208 V CA -0.849 61.499 62.300 0.079 0.000 0.920 208 V CB 2.233 34.105 31.823 0.082 0.000 1.014 208 V HN 0.915 nan 8.190 nan 0.000 0.425 209 S N 3.995 119.797 115.700 0.171 0.000 2.649 209 S HA 0.893 5.363 4.470 -0.000 0.000 0.274 209 S C -1.172 173.638 174.600 0.349 0.000 1.176 209 S CA -0.702 57.626 58.200 0.213 0.000 0.988 209 S CB 1.677 64.934 63.200 0.095 0.000 1.071 209 S HN 1.455 nan 8.310 nan 0.000 0.478 210 F N -1.329 118.579 119.950 -0.069 0.000 2.703 210 F HA 0.643 5.170 4.527 -0.000 0.000 0.308 210 F C -0.998 174.756 175.800 -0.076 0.000 1.126 210 F CA -1.469 56.492 58.000 -0.065 0.000 0.959 210 F CB 0.429 39.389 39.000 -0.067 0.000 1.297 210 F HN 0.531 nan 8.300 nan 0.000 0.441 211 E N 3.308 123.441 120.200 -0.111 0.000 2.220 211 E HA 0.265 4.615 4.350 -0.000 0.000 0.272 211 E C -2.366 174.049 176.600 -0.309 0.000 1.099 211 E CA -1.534 54.752 56.400 -0.190 0.000 0.907 211 E CB 0.023 29.679 29.700 -0.074 0.000 1.022 211 E HN 0.305 nan 8.360 nan 0.000 0.428 212 P HA -0.126 nan 4.420 nan 0.000 0.257 212 P C -0.547 176.636 177.300 -0.195 0.000 1.153 212 P CA 0.402 63.273 63.100 -0.382 0.000 0.762 212 P CB 0.221 31.784 31.700 -0.227 0.000 0.743 213 I N 6.404 126.879 120.570 -0.158 0.000 2.474 213 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 213 I C -1.789 174.290 176.117 -0.063 0.000 1.048 213 I CA -3.231 58.032 61.300 -0.061 0.000 1.383 213 I CB -0.095 37.902 38.000 -0.004 0.000 1.412 213 I HN 0.199 nan 8.210 nan 0.000 0.531 214 P HA 0.104 nan 4.420 nan 0.000 0.264 214 P C -0.631 176.590 177.300 -0.131 0.000 1.183 214 P CA 0.231 63.267 63.100 -0.106 0.000 0.763 214 P CB 0.383 32.021 31.700 -0.103 0.000 0.807 215 I N 3.119 123.566 120.570 -0.204 0.000 2.562 215 I HA 0.349 4.519 4.170 -0.000 0.000 0.301 215 I C 0.703 176.637 176.117 -0.304 0.000 1.003 215 I CA -0.513 60.697 61.300 -0.150 0.000 1.127 215 I CB 1.178 39.107 38.000 -0.118 0.000 1.304 215 I HN 0.394 nan 8.210 nan 0.000 0.446 216 H N 3.548 122.561 119.070 -0.095 0.000 2.569 216 H HA 0.322 4.878 4.556 -0.000 0.000 0.357 216 H C -1.493 173.787 175.328 -0.081 0.000 1.153 216 H CA -0.501 55.487 56.048 -0.100 0.000 1.193 216 H CB 2.777 32.492 29.762 -0.078 0.000 1.602 216 H HN 0.487 nan 8.280 nan 0.000 0.523 217 Y N 1.643 121.884 120.300 -0.099 0.000 2.331 217 Y HA 0.309 4.859 4.550 -0.000 0.000 0.338 217 Y C -0.754 175.091 175.900 -0.091 0.000 0.992 217 Y CA -0.673 57.356 58.100 -0.118 0.000 1.121 217 Y CB 0.616 38.965 38.460 -0.186 0.000 1.184 217 Y HN 0.573 nan 8.280 nan 0.000 0.469 218 c N 4.010 122.411 118.600 -0.332 0.000 2.562 218 c HA 0.841 5.411 4.570 -0.000 0.000 0.332 218 c C 0.109 174.075 174.090 -0.207 0.000 1.201 218 c CA -1.155 55.083 56.329 -0.152 0.000 1.803 218 c CB 0.976 43.413 42.510 -0.122 0.000 2.328 218 c HN 0.998 nan 8.230 nan 0.000 0.500 219 A N 3.383 126.208 122.820 0.009 0.000 2.454 219 A HA 0.542 4.862 4.320 -0.000 0.000 0.260 219 A C -1.797 175.816 177.584 0.049 0.000 1.106 219 A CA -0.399 51.695 52.037 0.095 0.000 0.780 219 A CB -0.480 18.608 19.000 0.147 0.000 1.044 219 A HN 0.774 nan 8.150 nan 0.000 0.498 220 P HA 0.361 nan 4.420 nan 0.000 0.274 220 P C -0.004 177.400 177.300 0.174 0.000 1.231 220 P CA -0.170 62.995 63.100 0.107 0.000 0.790 220 P CB 0.794 32.581 31.700 0.144 0.000 0.951 221 A N 1.521 124.395 122.820 0.091 0.000 2.591 221 A HA 0.324 4.644 4.320 -0.000 0.000 0.244 221 A C 1.503 179.093 177.584 0.009 0.000 1.031 221 A CA 1.082 53.145 52.037 0.044 0.000 0.767 221 A CB -1.516 17.494 19.000 0.017 0.000 0.942 221 A HN 0.988 nan 8.150 nan 0.000 0.514 222 G N 1.464 110.221 108.800 -0.072 0.000 2.308 222 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.221 222 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.221 222 G C 0.126 174.803 174.900 -0.372 0.000 1.032 222 G CA 0.246 45.183 45.100 -0.272 0.000 0.623 222 G HN 0.783 nan 8.290 nan 0.000 0.506 223 F N 1.401 121.367 119.950 0.026 0.000 2.461 223 F HA 0.829 5.356 4.527 -0.000 0.000 0.332 223 F C 0.709 176.533 175.800 0.041 0.000 1.073 223 F CA -0.124 57.898 58.000 0.037 0.000 1.017 223 F CB 1.854 40.888 39.000 0.056 0.000 1.301 223 F HN 0.440 nan 8.300 nan 0.000 0.492 224 A N 0.559 123.549 122.820 0.283 0.000 2.515 224 A HA 0.806 5.126 4.320 -0.000 0.000 0.296 224 A C -1.386 176.297 177.584 0.166 0.000 1.094 224 A CA -0.642 51.499 52.037 0.174 0.000 0.718 224 A CB 1.170 20.240 19.000 0.116 0.000 1.307 224 A HN 0.628 nan 8.150 nan 0.000 0.408 225 I N 2.179 122.838 120.570 0.148 0.000 2.359 225 I HA 0.273 4.443 4.170 -0.000 0.000 0.284 225 I C -0.682 175.539 176.117 0.173 0.000 1.018 225 I CA -0.156 61.238 61.300 0.157 0.000 1.173 225 I CB 0.960 39.058 38.000 0.163 0.000 1.326 225 I HN 0.453 nan 8.210 nan 0.000 0.462 226 L N 6.509 127.827 121.223 0.159 0.000 2.375 226 L HA 0.490 4.830 4.340 -0.000 0.000 0.271 226 L C 0.052 177.103 176.870 0.302 0.000 1.107 226 L CA -0.441 54.507 54.840 0.180 0.000 0.806 226 L CB 0.980 43.097 42.059 0.097 0.000 1.146 226 L HN 0.557 nan 8.230 nan 0.000 0.447 227 K N 2.038 122.581 120.400 0.238 0.000 2.443 227 K HA 0.382 4.702 4.320 -0.000 0.000 0.252 227 K C -1.488 175.067 176.600 -0.076 0.000 0.933 227 K CA -0.615 55.724 56.287 0.088 0.000 0.792 227 K CB 2.138 34.667 32.500 0.050 0.000 1.185 227 K HN 0.703 nan 8.250 nan 0.000 0.425 228 c N 3.877 122.248 118.600 -0.381 0.000 2.369 228 c HA 0.391 4.961 4.570 -0.000 0.000 0.358 228 c C 0.495 174.324 174.090 -0.435 0.000 1.274 228 c CA -0.357 55.598 56.329 -0.623 0.000 1.935 228 c CB -0.779 40.852 42.510 -1.464 0.000 2.431 228 c HN 1.048 nan 8.230 nan 0.000 0.545 229 N N 2.558 121.073 118.700 -0.307 0.000 2.205 229 N HA 0.112 4.852 4.740 -0.000 0.000 0.201 229 N C -0.604 174.814 175.510 -0.154 0.000 1.128 229 N CA -0.181 52.754 53.050 -0.191 0.000 0.867 229 N CB -0.025 38.389 38.487 -0.121 0.000 0.996 229 N HN 0.632 nan 8.380 nan 0.000 0.503 230 N N 1.771 120.356 118.700 -0.191 0.000 2.359 230 N HA -0.055 4.685 4.740 -0.000 0.000 0.261 230 N C 0.813 176.298 175.510 -0.042 0.000 1.267 230 N CA 0.442 53.432 53.050 -0.099 0.000 0.864 230 N CB 0.613 39.056 38.487 -0.073 0.000 1.063 230 N HN 0.220 nan 8.380 nan 0.000 0.474 231 K N 0.648 121.030 120.400 -0.030 0.000 2.113 231 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 231 K C 0.062 176.663 176.600 0.001 0.000 1.047 231 K CA 1.130 57.406 56.287 -0.020 0.000 0.928 231 K CB 0.086 32.571 32.500 -0.026 0.000 0.716 231 K HN 0.459 nan 8.250 nan 0.000 0.446 232 T N 1.061 115.619 114.554 0.007 0.000 3.241 232 T HA 0.224 4.574 4.350 -0.000 0.000 0.387 232 T C -1.324 173.395 174.700 0.032 0.000 1.451 232 T CA -0.551 61.543 62.100 -0.011 0.000 1.363 232 T CB 0.060 68.897 68.868 -0.052 0.000 1.074 232 T HN -0.008 nan 8.240 nan 0.000 0.598 233 F N 4.318 124.193 119.950 -0.125 0.000 2.415 233 F HA 0.403 4.930 4.527 -0.000 0.000 0.348 233 F C 1.030 176.686 175.800 -0.241 0.000 1.119 233 F CA -1.744 56.166 58.000 -0.149 0.000 1.069 233 F CB 1.175 40.093 39.000 -0.137 0.000 1.124 233 F HN 0.372 nan 8.300 nan 0.000 0.472 234 N N 3.205 121.423 118.700 -0.803 0.000 2.461 234 N HA 0.148 4.888 4.740 -0.000 0.000 0.188 234 N C 1.253 176.105 175.510 -1.096 0.000 1.134 234 N CA 0.780 53.359 53.050 -0.785 0.000 0.878 234 N CB 0.112 38.336 38.487 -0.438 0.000 0.972 234 N HN 0.946 nan 8.380 nan 0.000 0.456 235 G N -1.752 106.046 108.800 -1.669 0.000 2.194 235 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.236 235 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.236 235 G C -0.032 174.725 174.900 -0.238 0.000 0.987 235 G CA 0.400 44.904 45.100 -0.993 0.000 0.635 235 G HN 0.818 nan 8.290 nan 0.000 0.520 236 T N -0.926 113.426 114.554 -0.337 0.000 2.971 236 T HA 0.770 5.120 4.350 -0.000 0.000 0.304 236 T C 0.216 174.992 174.700 0.128 0.000 1.038 236 T CA 1.446 63.617 62.100 0.117 0.000 1.007 236 T CB 1.143 70.126 68.868 0.192 0.000 1.055 236 T HN 2.338 nan 8.240 nan 0.000 0.451 237 G N 4.767 113.730 108.800 0.271 0.000 2.422 237 G HA2 0.115 4.075 3.960 -0.000 0.000 0.607 237 G HA3 0.115 4.075 3.960 -0.000 0.000 0.607 237 G C -3.285 171.816 174.900 0.335 0.000 1.270 237 G CA -0.515 44.731 45.100 0.244 0.000 0.992 237 G HN 0.766 nan 8.290 nan 0.000 0.499 238 P HA 0.492 nan 4.420 nan 0.000 0.278 238 P C -0.364 177.039 177.300 0.172 0.000 1.238 238 P CA -0.145 63.078 63.100 0.206 0.000 0.794 238 P CB 1.613 33.391 31.700 0.128 0.000 0.955 239 c N 3.118 121.768 118.600 0.083 0.000 2.571 239 c HA 0.359 4.929 4.570 -0.000 0.000 0.343 239 c C 1.577 175.635 174.090 -0.053 0.000 1.082 239 c CA 0.059 56.324 56.329 -0.107 0.000 1.339 239 c CB -0.305 41.859 42.510 -0.576 0.000 1.893 239 c HN 0.730 nan 8.230 nan 0.000 0.445 240 T N 0.941 115.472 114.554 -0.037 0.000 3.014 240 T HA 0.008 4.358 4.350 -0.000 0.000 0.263 240 T C 0.893 175.571 174.700 -0.036 0.000 1.078 240 T CA 0.717 62.808 62.100 -0.015 0.000 1.135 240 T CB -0.335 68.531 68.868 -0.003 0.000 0.895 240 T HN 0.654 nan 8.240 nan 0.000 0.480 241 N N 2.158 120.812 118.700 -0.076 0.000 3.178 241 N HA 0.234 4.974 4.740 -0.000 0.000 0.300 241 N C -0.791 174.655 175.510 -0.108 0.000 1.242 241 N CA -0.071 52.929 53.050 -0.082 0.000 1.192 241 N CB -0.189 38.242 38.487 -0.092 0.000 1.463 241 N HN 0.267 nan 8.380 nan 0.000 0.539 242 V N 0.148 120.027 119.914 -0.058 0.000 3.096 242 V HA 0.745 4.865 4.120 -0.000 0.000 0.319 242 V C -0.178 175.917 176.094 0.002 0.000 1.082 242 V CA -0.341 61.942 62.300 -0.028 0.000 1.022 242 V CB 1.942 33.796 31.823 0.053 0.000 1.103 242 V HN 0.423 nan 8.190 nan 0.000 0.455 243 S N 0.988 116.709 115.700 0.035 0.000 2.611 243 S HA 0.554 5.024 4.470 -0.000 0.000 0.268 243 S C -1.009 173.639 174.600 0.081 0.000 1.156 243 S CA 0.041 58.269 58.200 0.045 0.000 0.817 243 S CB 1.928 65.144 63.200 0.028 0.000 1.122 243 S HN 1.181 nan 8.310 nan 0.000 0.466 244 T N 1.326 115.926 114.554 0.077 0.000 2.841 244 T HA 0.756 5.106 4.350 -0.000 0.000 0.283 244 T C -0.764 173.994 174.700 0.096 0.000 1.000 244 T CA -0.193 61.964 62.100 0.094 0.000 0.977 244 T CB 0.690 69.604 68.868 0.076 0.000 0.979 244 T HN 1.298 nan 8.240 nan 0.000 0.446 245 V N 3.083 123.069 119.914 0.120 0.000 3.130 245 V HA 0.613 4.733 4.120 -0.000 0.000 0.310 245 V C 0.839 176.992 176.094 0.097 0.000 1.158 245 V CA -0.856 61.513 62.300 0.115 0.000 1.029 245 V CB 1.925 33.843 31.823 0.160 0.000 1.057 245 V HN 0.764 nan 8.190 nan 0.000 0.436 246 Q N 0.374 120.219 119.800 0.074 0.000 1.969 246 Q HA 0.126 4.466 4.340 -0.000 0.000 0.198 246 Q C 0.541 176.573 176.000 0.054 0.000 0.978 246 Q CA 1.741 57.575 55.803 0.052 0.000 0.830 246 Q CB -0.030 28.723 28.738 0.026 0.000 0.896 246 Q HN 0.909 nan 8.270 nan 0.000 0.431 247 c N -0.175 118.456 118.600 0.053 0.000 2.973 247 c HA 0.541 5.111 4.570 -0.000 0.000 0.329 247 c C 0.780 174.892 174.090 0.038 0.000 1.327 247 c CA -0.884 55.474 56.329 0.049 0.000 1.632 247 c CB 1.250 43.779 42.510 0.031 0.000 2.098 247 c HN 0.549 nan 8.230 nan 0.000 0.469 248 T N -0.888 113.624 114.554 -0.071 0.000 2.770 248 T HA 0.321 4.671 4.350 -0.000 0.000 0.281 248 T C 0.305 175.017 174.700 0.020 0.000 0.981 248 T CA -0.062 61.878 62.100 -0.267 0.000 0.955 248 T CB 0.179 68.582 68.868 -0.774 0.000 1.060 248 T HN 0.887 nan 8.240 nan 0.000 0.531 249 H N -0.577 118.545 119.070 0.088 0.000 2.703 249 H HA 0.307 4.863 4.556 0.000 0.000 0.377 249 H C 0.745 176.034 175.328 -0.066 0.000 1.392 249 H CA -0.438 55.672 56.048 0.103 0.000 1.458 249 H CB -0.467 29.369 29.762 0.123 0.000 1.529 249 H HN 0.920 nan 8.280 nan 0.000 0.619 250 G N 0.515 109.245 108.800 -0.117 0.000 2.361 250 G HA2 0.407 4.367 3.960 -0.000 0.000 0.260 250 G HA3 0.407 4.367 3.960 -0.000 0.000 0.260 250 G C -0.309 174.427 174.900 -0.274 0.000 1.261 250 G CA -0.556 44.253 45.100 -0.485 0.000 0.897 250 G HN 0.594 nan 8.290 nan 0.000 0.499 251 I N 2.355 122.702 120.570 -0.370 0.000 2.418 251 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 251 I C 0.274 176.321 176.117 -0.117 0.000 1.008 251 I CA -0.777 60.410 61.300 -0.189 0.000 1.104 251 I CB 2.072 39.928 38.000 -0.240 0.000 1.264 251 I HN 0.372 nan 8.210 nan 0.000 0.438 252 R N 7.170 127.661 120.500 -0.016 0.000 2.316 252 R HA 0.211 4.551 4.340 -0.000 0.000 0.314 252 R C -2.060 174.288 176.300 0.080 0.000 1.069 252 R CA -1.283 54.822 56.100 0.009 0.000 0.959 252 R CB 0.354 30.672 30.300 0.029 0.000 0.987 252 R HN 0.334 nan 8.270 nan 0.000 0.446 253 P HA 0.034 nan 4.420 nan 0.000 0.230 253 P C -0.517 177.036 177.300 0.422 0.000 1.791 253 P CA -0.024 63.165 63.100 0.149 0.000 1.020 253 P CB 0.223 31.970 31.700 0.079 0.000 1.977 254 V N 2.527 122.667 119.914 0.377 0.000 2.530 254 V HA 0.079 4.199 4.120 -0.000 0.000 0.282 254 V C 0.798 176.929 176.094 0.061 0.000 1.048 254 V CA -0.370 62.061 62.300 0.219 0.000 0.997 254 V CB 1.722 33.605 31.823 0.099 0.000 0.987 254 V HN 0.096 nan 8.190 nan 0.000 0.477 255 V N 5.875 125.639 119.914 -0.250 0.000 2.348 255 V HA 0.661 4.781 4.120 -0.000 0.000 0.270 255 V C 0.200 175.881 176.094 -0.689 0.000 1.037 255 V CA 0.211 62.087 62.300 -0.708 0.000 0.872 255 V CB 0.945 31.914 31.823 -1.424 0.000 1.002 255 V HN 1.114 nan 8.190 nan 0.000 0.464 256 S N 3.416 118.821 115.700 -0.491 0.000 2.611 256 S HA 0.763 5.233 4.470 -0.000 0.000 0.268 256 S C -0.603 173.973 174.600 -0.040 0.000 1.156 256 S CA -0.245 57.763 58.200 -0.321 0.000 0.817 256 S CB 2.056 65.160 63.200 -0.160 0.000 1.122 256 S HN 0.996 nan 8.310 nan 0.000 0.466 257 S N 0.088 115.877 115.700 0.147 0.000 2.689 257 S HA 0.679 5.149 4.470 -0.000 0.000 0.306 257 S C 0.552 175.305 174.600 0.255 0.000 1.104 257 S CA 0.064 58.386 58.200 0.203 0.000 0.973 257 S CB 1.185 64.545 63.200 0.267 0.000 1.121 257 S HN 1.098 nan 8.310 nan 0.000 0.523 258 Q N -1.257 118.645 119.800 0.171 0.000 2.108 258 Q HA -0.263 4.077 4.340 -0.000 0.000 0.173 258 Q C -0.516 175.555 176.000 0.118 0.000 2.879 258 Q CA 2.107 57.999 55.803 0.149 0.000 0.364 258 Q CB -1.525 27.342 28.738 0.214 0.000 0.359 258 Q HN 0.762 nan 8.270 nan 0.000 0.457 259 L N 0.951 122.233 121.223 0.098 0.000 2.362 259 L HA 0.595 4.935 4.340 -0.000 0.000 0.271 259 L C -0.397 176.488 176.870 0.025 0.000 1.002 259 L CA -0.741 54.094 54.840 -0.008 0.000 0.818 259 L CB 1.533 43.410 42.059 -0.303 0.000 1.298 259 L HN 0.030 nan 8.230 nan 0.000 0.420 260 L N 3.944 125.176 121.223 0.015 0.000 2.282 260 L HA 0.560 4.900 4.340 -0.000 0.000 0.288 260 L C -0.681 176.190 176.870 0.001 0.000 1.033 260 L CA -0.386 54.464 54.840 0.017 0.000 0.807 260 L CB 1.314 43.397 42.059 0.039 0.000 1.209 260 L HN 0.400 nan 8.230 nan 0.000 0.423 261 L N 3.821 125.040 121.223 -0.006 0.000 2.346 261 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 261 L C 0.157 177.028 176.870 0.001 0.000 1.007 261 L CA -0.869 53.953 54.840 -0.031 0.000 0.818 261 L CB 1.442 43.451 42.059 -0.084 0.000 1.284 261 L HN 0.609 nan 8.230 nan 0.000 0.424 262 N N 0.793 119.489 118.700 -0.006 0.000 2.725 262 N HA -0.158 4.582 4.740 -0.000 0.000 0.249 262 N C 0.086 175.624 175.510 0.046 0.000 1.103 262 N CA 1.017 54.074 53.050 0.011 0.000 0.707 262 N CB -1.140 37.348 38.487 0.002 0.000 1.043 262 N HN 0.994 nan 8.380 nan 0.000 0.553 263 G N -1.241 107.594 108.800 0.058 0.000 2.606 263 G HA2 0.594 4.554 3.960 -0.000 0.000 0.262 263 G HA3 0.594 4.554 3.960 -0.000 0.000 0.262 263 G C -0.262 174.688 174.900 0.084 0.000 1.394 263 G CA -0.220 44.938 45.100 0.097 0.000 1.044 263 G HN 0.148 nan 8.290 nan 0.000 0.553 264 S N -0.703 115.060 115.700 0.104 0.000 2.541 264 S HA 0.512 4.982 4.470 -0.000 0.000 0.283 264 S C -0.060 174.567 174.600 0.046 0.000 1.196 264 S CA -0.382 57.854 58.200 0.059 0.000 1.062 264 S CB 1.155 64.377 63.200 0.036 0.000 1.009 264 S HN 0.351 nan 8.310 nan 0.000 0.502 265 L N 1.978 123.210 121.223 0.016 0.000 2.399 265 L HA 0.595 4.935 4.340 -0.000 0.000 0.265 265 L C 0.619 177.488 176.870 -0.001 0.000 1.089 265 L CA -0.879 53.963 54.840 0.004 0.000 0.802 265 L CB 0.726 42.780 42.059 -0.008 0.000 1.180 265 L HN 0.691 nan 8.230 nan 0.000 0.454 266 A N 1.091 123.901 122.820 -0.017 0.000 2.440 266 A HA 0.162 4.482 4.320 -0.000 0.000 0.251 266 A C 0.819 178.386 177.584 -0.030 0.000 1.089 266 A CA -0.265 51.754 52.037 -0.029 0.000 0.779 266 A CB 0.160 19.124 19.000 -0.059 0.000 1.022 266 A HN 0.882 nan 8.150 nan 0.000 0.492 267 E N 1.028 121.212 120.200 -0.026 0.000 2.427 267 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 267 E C 0.529 177.109 176.600 -0.033 0.000 1.028 267 E CA 1.089 57.472 56.400 -0.028 0.000 0.864 267 E CB 0.405 30.090 29.700 -0.025 0.000 0.813 267 E HN 0.865 nan 8.360 nan 0.000 0.514 268 E N -0.020 120.155 120.200 -0.041 0.000 3.353 268 E HA 0.140 4.490 4.350 -0.000 0.000 0.217 268 E C 0.027 176.595 176.600 -0.052 0.000 1.242 268 E CA -0.245 56.129 56.400 -0.044 0.000 1.162 268 E CB 0.695 30.369 29.700 -0.044 0.000 2.813 268 E HN -0.053 nan 8.360 nan 0.000 0.550 269 E N 0.993 121.156 120.200 -0.062 0.000 2.239 269 E HA 0.374 4.724 4.350 -0.000 0.000 0.261 269 E C -0.790 175.760 176.600 -0.083 0.000 1.016 269 E CA -0.659 55.698 56.400 -0.072 0.000 0.882 269 E CB 2.368 32.023 29.700 -0.076 0.000 1.190 269 E HN -0.094 nan 8.360 nan 0.000 0.415 270 V N 1.649 121.508 119.914 -0.091 0.000 2.763 270 V HA 0.021 4.141 4.120 -0.000 0.000 0.306 270 V C -0.100 175.928 176.094 -0.109 0.000 1.059 270 V CA 0.308 62.547 62.300 -0.101 0.000 1.138 270 V CB 0.836 32.590 31.823 -0.115 0.000 0.940 270 V HN 0.315 nan 8.190 nan 0.000 0.489 271 V N 6.124 125.969 119.914 -0.116 0.000 2.577 271 V HA 0.513 4.633 4.120 -0.000 0.000 0.303 271 V C -0.237 175.787 176.094 -0.117 0.000 1.042 271 V CA -0.537 61.681 62.300 -0.137 0.000 0.872 271 V CB 1.808 33.520 31.823 -0.186 0.000 0.998 271 V HN 0.773 nan 8.190 nan 0.000 0.423 272 I N 3.257 123.778 120.570 -0.082 0.000 2.460 272 I HA 0.899 5.069 4.170 -0.000 0.000 0.298 272 I C -0.415 175.763 176.117 0.102 0.000 0.989 272 I CA -0.673 60.636 61.300 0.017 0.000 1.173 272 I CB 1.808 39.845 38.000 0.061 0.000 1.338 272 I HN 0.805 nan 8.210 nan 0.000 0.456 273 R N 3.784 124.365 120.500 0.135 0.000 2.626 273 R HA 0.767 5.107 4.340 -0.000 0.000 0.274 273 R C -1.352 174.981 176.300 0.055 0.000 1.031 273 R CA -0.734 55.417 56.100 0.085 0.000 0.898 273 R CB 1.859 31.946 30.300 -0.355 0.000 1.222 273 R HN 0.761 nan 8.270 nan 0.000 0.455 274 S N 0.242 115.805 115.700 -0.229 0.000 2.607 274 S HA 0.337 4.807 4.470 -0.000 0.000 0.273 274 S C 0.004 174.497 174.600 -0.178 0.000 1.148 274 S CA -0.795 57.160 58.200 -0.409 0.000 0.833 274 S CB 1.716 64.179 63.200 -1.228 0.000 1.130 274 S HN 0.727 nan 8.310 nan 0.000 0.470 275 c N 2.085 120.533 118.600 -0.254 0.000 2.594 275 c HA 0.490 5.060 4.570 -0.000 0.000 0.265 275 c C 0.639 174.619 174.090 -0.182 0.000 1.351 275 c CA -0.011 56.156 56.329 -0.270 0.000 1.744 275 c CB -1.464 40.822 42.510 -0.372 0.000 1.890 275 c HN 0.743 nan 8.230 nan 0.000 0.551 276 N N -0.852 117.716 118.700 -0.220 0.000 3.547 276 N HA 0.089 4.829 4.740 -0.000 0.000 0.203 276 N C -0.106 175.382 175.510 -0.037 0.000 1.410 276 N CA -0.441 52.556 53.050 -0.089 0.000 0.811 276 N CB -0.536 37.926 38.487 -0.042 0.000 1.665 276 N HN 0.111 nan 8.380 nan 0.000 0.686 277 F N 0.383 120.395 119.950 0.104 0.000 2.171 277 F HA -0.139 4.388 4.527 0.000 0.000 0.300 277 F C 2.588 178.546 175.800 0.265 0.000 1.090 277 F CA 1.908 60.019 58.000 0.186 0.000 1.293 277 F CB 0.098 39.119 39.000 0.034 0.000 1.013 277 F HN 0.524 nan 8.300 nan 0.000 0.486 278 T N -3.231 111.523 114.554 0.334 0.000 3.072 278 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 278 T C 0.578 175.374 174.700 0.160 0.000 1.127 278 T CA 0.393 62.644 62.100 0.251 0.000 1.107 278 T CB -0.365 68.601 68.868 0.163 0.000 0.910 278 T HN -0.013 nan 8.240 nan 0.000 0.513 279 D N 2.592 123.067 120.400 0.125 0.000 2.347 279 D HA 0.145 4.785 4.640 -0.000 0.000 0.235 279 D C 0.904 177.240 176.300 0.059 0.000 1.149 279 D CA -0.628 53.411 54.000 0.064 0.000 0.850 279 D CB 0.736 41.553 40.800 0.027 0.000 1.061 279 D HN 0.272 nan 8.370 nan 0.000 0.487 280 N N 3.341 122.059 118.700 0.030 0.000 2.550 280 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 280 N C 1.073 176.580 175.510 -0.005 0.000 1.110 280 N CA 0.736 53.786 53.050 0.001 0.000 0.912 280 N CB -0.176 38.284 38.487 -0.044 0.000 0.968 280 N HN 0.272 nan 8.380 nan 0.000 0.448 281 A N -0.215 122.603 122.820 -0.003 0.000 2.132 281 A HA 0.095 4.415 4.320 -0.000 0.000 0.213 281 A C 0.899 178.474 177.584 -0.014 0.000 1.154 281 A CA 0.244 52.274 52.037 -0.012 0.000 0.753 281 A CB 0.024 19.014 19.000 -0.016 0.000 0.826 281 A HN 0.001 nan 8.150 nan 0.000 0.469 282 K N 1.147 121.540 120.400 -0.013 0.000 2.185 282 K HA 0.335 4.655 4.320 -0.000 0.000 0.271 282 K C -0.342 176.250 176.600 -0.013 0.000 1.013 282 K CA 0.010 56.277 56.287 -0.034 0.000 0.943 282 K CB 0.607 33.068 32.500 -0.067 0.000 0.998 282 K HN 0.124 nan 8.250 nan 0.000 0.468 283 T N 2.644 117.183 114.554 -0.025 0.000 2.907 283 T HA 0.324 4.674 4.350 -0.000 0.000 0.298 283 T C 0.621 175.340 174.700 0.032 0.000 1.017 283 T CA -0.254 61.853 62.100 0.011 0.000 1.118 283 T CB 0.308 69.176 68.868 0.000 0.000 0.948 283 T HN 0.270 nan 8.240 nan 0.000 0.531 284 I N 3.959 124.587 120.570 0.097 0.000 2.321 284 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 284 I C -0.007 176.187 176.117 0.128 0.000 0.998 284 I CA -0.504 60.882 61.300 0.143 0.000 1.227 284 I CB 0.994 39.160 38.000 0.277 0.000 1.368 284 I HN 0.425 nan 8.210 nan 0.000 0.466 285 I N 7.070 127.713 120.570 0.122 0.000 2.315 285 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 285 I C -0.250 175.900 176.117 0.055 0.000 1.006 285 I CA -0.676 60.679 61.300 0.093 0.000 1.265 285 I CB 1.449 39.518 38.000 0.116 0.000 1.387 285 I HN 0.201 nan 8.210 nan 0.000 0.475 286 V N 6.561 126.500 119.914 0.041 0.000 2.472 286 V HA 0.279 4.399 4.120 -0.000 0.000 0.290 286 V C -0.029 176.055 176.094 -0.017 0.000 1.037 286 V CA -0.509 61.792 62.300 0.002 0.000 0.908 286 V CB 1.595 33.415 31.823 -0.005 0.000 0.985 286 V HN 0.722 nan 8.190 nan 0.000 0.454 287 Q N 3.885 123.652 119.800 -0.054 0.000 2.331 287 Q HA 0.623 4.963 4.340 -0.000 0.000 0.267 287 Q C -1.437 174.526 176.000 -0.062 0.000 1.006 287 Q CA -0.638 55.135 55.803 -0.050 0.000 0.818 287 Q CB 1.684 30.376 28.738 -0.077 0.000 1.276 287 Q HN 0.699 nan 8.270 nan 0.000 0.450 288 L N 2.996 124.191 121.223 -0.047 0.000 2.379 288 L HA 0.328 4.668 4.340 -0.000 0.000 0.269 288 L C 1.152 177.991 176.870 -0.051 0.000 1.084 288 L CA -0.665 54.139 54.840 -0.062 0.000 0.802 288 L CB 0.728 42.755 42.059 -0.055 0.000 1.175 288 L HN 0.766 nan 8.230 nan 0.000 0.448 289 N N -1.028 117.636 118.700 -0.061 0.000 2.325 289 N HA 0.005 4.745 4.740 -0.000 0.000 0.182 289 N C -0.066 175.419 175.510 -0.041 0.000 1.088 289 N CA -0.039 52.982 53.050 -0.049 0.000 0.879 289 N CB 0.384 38.838 38.487 -0.054 0.000 0.983 289 N HN 0.521 nan 8.380 nan 0.000 0.471 290 T N -0.005 114.522 114.554 -0.045 0.000 2.886 290 T HA 0.382 4.732 4.350 -0.000 0.000 0.292 290 T C -0.605 174.080 174.700 -0.026 0.000 1.012 290 T CA -0.536 61.543 62.100 -0.035 0.000 0.982 290 T CB 2.081 70.924 68.868 -0.040 0.000 1.018 290 T HN -0.061 nan 8.240 nan 0.000 0.451 291 S N 1.339 117.030 115.700 -0.014 0.000 2.603 291 S HA 0.564 5.034 4.470 -0.000 0.000 0.268 291 S C -0.260 174.343 174.600 0.006 0.000 1.317 291 S CA -0.596 57.601 58.200 -0.004 0.000 1.012 291 S CB 0.583 63.780 63.200 -0.006 0.000 0.926 291 S HN 0.498 nan 8.310 nan 0.000 0.539 292 V N 2.867 122.793 119.914 0.021 0.000 2.525 292 V HA 0.295 4.415 4.120 -0.000 0.000 0.299 292 V C -0.580 175.515 176.094 0.001 0.000 1.034 292 V CA -0.841 61.483 62.300 0.041 0.000 0.863 292 V CB 1.778 33.684 31.823 0.137 0.000 0.999 292 V HN 0.797 nan 8.190 nan 0.000 0.423 293 E N 3.460 123.652 120.200 -0.013 0.000 2.384 293 E HA 0.424 4.773 4.350 -0.000 0.000 0.266 293 E C -0.413 176.142 176.600 -0.076 0.000 1.012 293 E CA 0.229 56.604 56.400 -0.042 0.000 0.901 293 E CB 1.490 31.172 29.700 -0.031 0.000 0.967 293 E HN 0.638 nan 8.360 nan 0.000 0.435 294 I N 2.771 123.275 120.570 -0.110 0.000 2.439 294 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 294 I C -1.433 174.609 176.117 -0.125 0.000 1.021 294 I CA -0.815 60.398 61.300 -0.146 0.000 1.091 294 I CB 0.912 38.776 38.000 -0.227 0.000 1.242 294 I HN 0.343 nan 8.210 nan 0.000 0.439 295 N N 7.175 125.826 118.700 -0.082 0.000 2.444 295 N HA 0.430 5.170 4.740 -0.000 0.000 0.262 295 N C -1.329 174.153 175.510 -0.046 0.000 0.974 295 N CA -0.262 52.753 53.050 -0.059 0.000 0.933 295 N CB 1.580 40.053 38.487 -0.023 0.000 1.137 295 N HN 0.477 nan 8.380 nan 0.000 0.498 296 c N 0.397 118.955 118.600 -0.070 0.000 2.529 296 c HA 0.766 5.336 4.570 -0.000 0.000 0.329 296 c C 0.759 174.826 174.090 -0.039 0.000 1.194 296 c CA -0.654 55.652 56.329 -0.039 0.000 1.779 296 c CB 1.751 44.249 42.510 -0.020 0.000 2.322 296 c HN 0.652 nan 8.230 nan 0.000 0.500 297 T N -0.372 114.171 114.554 -0.019 0.000 2.900 297 T HA 0.531 4.881 4.350 -0.000 0.000 0.295 297 T C 1.005 175.823 174.700 0.197 0.000 1.044 297 T CA 0.327 62.436 62.100 0.014 0.000 0.995 297 T CB 1.398 70.162 68.868 -0.172 0.000 1.072 297 T HN 0.910 nan 8.240 nan 0.000 0.473 298 G N 1.923 110.848 108.800 0.208 0.000 2.586 298 G HA2 0.332 4.292 3.960 -0.000 0.000 0.215 298 G HA3 0.332 4.292 3.960 -0.000 0.000 0.215 298 G C 0.754 175.647 174.900 -0.012 0.000 1.128 298 G CA 0.587 45.736 45.100 0.082 0.000 0.774 298 G HN 1.033 nan 8.290 nan 0.000 0.543 330 H N -1.790 117.373 119.070 0.154 0.000 3.017 330 H HA 0.724 5.280 4.556 -0.000 0.000 0.346 330 H C -1.541 173.886 175.328 0.164 0.000 1.286 330 H CA -0.787 55.348 56.048 0.145 0.000 1.120 330 H CB 1.416 31.230 29.762 0.087 0.000 1.860 330 H HN 0.047 nan 8.280 nan 0.000 0.542 331 c N 1.301 120.052 118.600 0.251 0.000 2.561 331 c HA 0.505 5.075 4.570 -0.000 0.000 0.319 331 c C -0.399 173.768 174.090 0.127 0.000 1.198 331 c CA -0.639 55.775 56.329 0.141 0.000 1.665 331 c CB 1.145 43.718 42.510 0.105 0.000 2.258 331 c HN 0.705 nan 8.230 nan 0.000 0.493 332 N N 1.373 120.111 118.700 0.064 0.000 2.284 332 N HA 0.798 5.538 4.740 -0.000 0.000 0.300 332 N C -1.353 174.125 175.510 -0.053 0.000 1.047 332 N CA -0.326 52.740 53.050 0.027 0.000 0.821 332 N CB 1.510 40.038 38.487 0.069 0.000 1.337 332 N HN 0.469 nan 8.380 nan 0.000 0.482 333 I N 0.769 121.286 120.570 -0.088 0.000 2.619 333 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 333 I C -0.005 176.079 176.117 -0.054 0.000 1.100 333 I CA -0.917 60.315 61.300 -0.113 0.000 1.043 333 I CB 1.954 39.797 38.000 -0.262 0.000 1.239 333 I HN 0.499 nan 8.210 nan 0.000 0.420 334 A N 5.427 128.241 122.820 -0.010 0.000 2.492 334 A HA 0.276 4.596 4.320 -0.000 0.000 0.254 334 A C 1.418 179.038 177.584 0.059 0.000 1.091 334 A CA -0.018 52.031 52.037 0.021 0.000 0.768 334 A CB 0.082 19.098 19.000 0.026 0.000 1.028 334 A HN 0.930 nan 8.150 nan 0.000 0.498 335 R N 2.595 123.126 120.500 0.053 0.000 2.073 335 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 335 R C 2.151 178.519 176.300 0.115 0.000 1.134 335 R CA 1.750 57.904 56.100 0.089 0.000 0.952 335 R CB -0.290 30.044 30.300 0.055 0.000 0.850 335 R HN 0.832 nan 8.270 nan 0.000 0.433 336 A N 1.257 124.121 122.820 0.072 0.000 1.908 336 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 336 A C 2.021 179.639 177.584 0.057 0.000 1.181 336 A CA 1.669 53.742 52.037 0.059 0.000 0.627 336 A CB -0.397 18.625 19.000 0.037 0.000 0.818 336 A HN 0.332 nan 8.150 nan 0.000 0.445 337 K N -1.564 118.876 120.400 0.066 0.000 2.057 337 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 337 K C 2.000 178.646 176.600 0.077 0.000 1.049 337 K CA 1.350 57.671 56.287 0.056 0.000 0.931 337 K CB -0.272 32.265 32.500 0.061 0.000 0.714 337 K HN 0.816 nan 8.250 nan 0.000 0.440 338 W N 2.056 123.312 121.300 -0.073 0.000 2.388 338 W HA -0.171 4.489 4.660 -0.000 0.000 0.294 338 W C 1.381 177.847 176.519 -0.088 0.000 1.212 338 W CA 1.259 58.539 57.345 -0.109 0.000 1.271 338 W CB -0.122 29.257 29.460 -0.135 0.000 1.126 338 W HN 0.144 nan 8.180 nan 0.000 0.535 339 N N 0.679 119.382 118.700 0.005 0.000 2.142 339 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 339 N C 1.363 176.821 175.510 -0.087 0.000 1.023 339 N CA 1.712 54.766 53.050 0.007 0.000 0.852 339 N CB -0.544 38.024 38.487 0.135 0.000 0.998 339 N HN -0.031 nan 8.380 nan 0.000 0.424 340 N N -0.549 118.097 118.700 -0.090 0.000 2.149 340 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 340 N C 1.444 176.794 175.510 -0.267 0.000 1.019 340 N CA 1.246 54.220 53.050 -0.127 0.000 0.857 340 N CB -0.710 37.733 38.487 -0.074 0.000 0.997 340 N HN 0.268 nan 8.380 nan 0.000 0.426 341 T N 1.780 116.115 114.554 -0.365 0.000 2.746 341 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 341 T C 2.137 176.441 174.700 -0.660 0.000 1.039 341 T CA 0.564 62.369 62.100 -0.493 0.000 1.142 341 T CB -0.237 68.272 68.868 -0.600 0.000 0.866 341 T HN 0.139 nan 8.240 nan 0.000 0.444 342 L N 0.865 121.571 121.223 -0.862 0.000 2.079 342 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 342 L C 2.660 178.923 176.870 -1.012 0.000 1.081 342 L CA 1.452 55.724 54.840 -0.946 0.000 0.752 342 L CB -0.467 41.118 42.059 -0.791 0.000 0.896 342 L HN 0.271 nan 8.230 nan 0.000 0.433 343 K N 0.176 119.966 120.400 -1.017 0.000 2.063 343 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 343 K C 2.067 178.411 176.600 -0.427 0.000 1.048 343 K CA 1.633 57.373 56.287 -0.911 0.000 0.928 343 K CB -0.032 32.205 32.500 -0.438 0.000 0.713 343 K HN 0.331 nan 8.250 nan 0.000 0.442 344 Q N 0.192 119.788 119.800 -0.339 0.000 2.123 344 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 344 Q C 2.112 177.994 176.000 -0.197 0.000 0.966 344 Q CA 1.495 57.172 55.803 -0.211 0.000 0.845 344 Q CB 0.009 28.631 28.738 -0.194 0.000 0.907 344 Q HN 0.402 nan 8.270 nan 0.000 0.439 345 I N 0.317 120.728 120.570 -0.264 0.000 2.233 345 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 345 I C 2.405 178.455 176.117 -0.111 0.000 1.093 345 I CA 0.823 62.011 61.300 -0.186 0.000 1.380 345 I CB -0.438 37.432 38.000 -0.216 0.000 1.067 345 I HN 0.137 nan 8.210 nan 0.000 0.413 346 A N 0.174 122.920 122.820 -0.124 0.000 1.883 346 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 346 A C 2.514 180.208 177.584 0.183 0.000 1.186 346 A CA 2.337 54.365 52.037 -0.015 0.000 0.624 346 A CB -0.932 17.899 19.000 -0.282 0.000 0.822 346 A HN 0.397 nan 8.150 nan 0.000 0.444 347 S N -0.642 115.157 115.700 0.166 0.000 2.359 347 S HA -0.220 4.250 4.470 -0.000 0.000 0.223 347 S C 2.155 176.721 174.600 -0.057 0.000 1.039 347 S CA 1.824 60.054 58.200 0.050 0.000 1.042 347 S CB -0.297 62.914 63.200 0.017 0.000 0.915 347 S HN 0.476 nan 8.310 nan 0.000 0.439 348 K N 0.892 121.248 120.400 -0.073 0.000 2.057 348 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 348 K C 2.171 178.712 176.600 -0.099 0.000 1.049 348 K CA 0.992 57.217 56.287 -0.103 0.000 0.931 348 K CB -0.835 31.598 32.500 -0.111 0.000 0.714 348 K HN 0.437 nan 8.250 nan 0.000 0.440 349 L N 0.932 122.116 121.223 -0.066 0.000 2.017 349 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 349 L C 2.685 179.628 176.870 0.123 0.000 1.073 349 L CA 1.573 56.414 54.840 0.001 0.000 0.745 349 L CB -0.460 41.487 42.059 -0.185 0.000 0.894 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 R N 0.575 121.127 120.500 0.085 0.000 2.189 350 R HA -0.208 4.132 4.340 -0.000 0.000 0.223 350 R C 1.892 178.183 176.300 -0.016 0.000 1.092 350 R CA 1.609 57.762 56.100 0.087 0.000 0.989 350 R CB -0.533 29.784 30.300 0.028 0.000 0.876 350 R HN 0.476 nan 8.270 nan 0.000 0.457 351 E N 0.683 120.830 120.200 -0.089 0.000 2.274 351 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 351 E C 1.859 178.332 176.600 -0.212 0.000 0.996 351 E CA 0.998 57.313 56.400 -0.143 0.000 0.840 351 E CB 0.151 29.759 29.700 -0.154 0.000 0.772 351 E HN 0.419 nan 8.360 nan 0.000 0.491 352 Q N -0.561 119.064 119.800 -0.291 0.000 2.250 352 Q HA 0.036 4.376 4.340 -0.000 0.000 0.200 352 Q C 0.601 176.186 176.000 -0.692 0.000 0.941 352 Q CA 1.141 56.568 55.803 -0.626 0.000 0.872 352 Q CB 0.117 28.273 28.738 -0.971 0.000 0.965 352 Q HN 0.361 nan 8.270 nan 0.000 0.480 353 F N -0.677 119.230 119.950 -0.072 0.000 2.654 353 F HA 0.550 5.077 4.527 -0.000 0.000 0.303 353 F C 0.307 176.101 175.800 -0.011 0.000 1.099 353 F CA 0.183 58.175 58.000 -0.012 0.000 1.270 353 F CB 1.557 40.598 39.000 0.068 0.000 1.024 353 F HN 0.057 nan 8.300 nan 0.000 0.548 354 G N 0.897 109.740 108.800 0.072 0.000 3.326 354 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.681 354 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.681 354 G C -0.175 174.736 174.900 0.019 0.000 1.255 354 G CA -0.997 44.126 45.100 0.039 0.000 0.976 354 G HN -0.007 nan 8.290 nan 0.000 0.563 355 N N 0.536 119.220 118.700 -0.026 0.000 2.609 355 N HA -0.041 4.699 4.740 -0.000 0.000 0.190 355 N C 1.414 176.898 175.510 -0.044 0.000 1.157 355 N CA 0.685 53.699 53.050 -0.059 0.000 0.918 355 N CB 0.126 38.566 38.487 -0.078 0.000 0.978 355 N HN 0.504 nan 8.380 nan 0.000 0.448 356 N N -0.195 118.502 118.700 -0.004 0.000 2.187 356 N HA 0.046 4.786 4.740 -0.000 0.000 0.212 356 N C -0.320 175.217 175.510 0.045 0.000 1.152 356 N CA 0.080 53.138 53.050 0.012 0.000 0.872 356 N CB 0.608 39.102 38.487 0.011 0.000 1.025 356 N HN -0.026 nan 8.380 nan 0.000 0.514 357 K N 0.859 121.299 120.400 0.066 0.000 2.144 357 K HA 0.297 4.617 4.320 -0.000 0.000 0.270 357 K C 0.038 176.728 176.600 0.151 0.000 1.005 357 K CA -0.042 56.304 56.287 0.098 0.000 0.932 357 K CB 0.878 33.449 32.500 0.120 0.000 1.021 357 K HN -0.097 nan 8.250 nan 0.000 0.462 358 T N 3.200 117.836 114.554 0.136 0.000 2.806 358 T HA 0.319 4.669 4.350 -0.000 0.000 0.290 358 T C 0.403 175.202 174.700 0.166 0.000 0.966 358 T CA -0.572 61.633 62.100 0.174 0.000 1.060 358 T CB 0.466 69.397 68.868 0.105 0.000 0.927 358 T HN 0.177 nan 8.240 nan 0.000 0.485 359 I N 4.432 125.137 120.570 0.225 0.000 2.331 359 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 359 I C 0.118 176.253 176.117 0.030 0.000 0.998 359 I CA -0.792 60.585 61.300 0.129 0.000 1.267 359 I CB 0.788 38.839 38.000 0.084 0.000 1.386 359 I HN 0.585 nan 8.210 nan 0.000 0.476 360 I N 6.401 126.926 120.570 -0.075 0.000 2.499 360 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 360 I C -0.958 175.095 176.117 -0.106 0.000 1.048 360 I CA -0.453 60.821 61.300 -0.043 0.000 1.062 360 I CB 1.826 39.828 38.000 0.003 0.000 1.238 360 I HN 0.238 nan 8.210 nan 0.000 0.426 361 F N 5.422 125.573 119.950 0.335 0.000 2.404 361 F HA 0.537 5.064 4.527 -0.000 0.000 0.354 361 F C 0.327 176.302 175.800 0.291 0.000 1.122 361 F CA -0.535 57.684 58.000 0.365 0.000 1.080 361 F CB 1.241 40.525 39.000 0.472 0.000 1.131 361 F HN 0.248 nan 8.300 nan 0.000 0.471 362 K N 1.926 122.557 120.400 0.384 0.000 2.340 362 K HA 0.347 4.667 4.320 -0.000 0.000 0.244 362 K C -0.687 176.061 176.600 0.246 0.000 0.973 362 K CA -1.171 55.273 56.287 0.262 0.000 0.828 362 K CB 2.043 34.625 32.500 0.137 0.000 1.226 362 K HN 0.676 nan 8.250 nan 0.000 0.437 363 Q N 0.361 120.288 119.800 0.211 0.000 2.524 363 Q HA 0.104 4.444 4.340 -0.000 0.000 0.246 363 Q C -0.059 175.990 176.000 0.081 0.000 1.063 363 Q CA -0.321 55.587 55.803 0.175 0.000 0.945 363 Q CB 0.739 29.573 28.738 0.160 0.000 1.292 363 Q HN 0.404 nan 8.270 nan 0.000 0.518 364 S N 0.315 116.046 115.700 0.052 0.000 2.558 364 S HA -0.041 4.429 4.470 -0.000 0.000 0.291 364 S C 0.795 175.413 174.600 0.030 0.000 1.306 364 S CA 0.073 58.286 58.200 0.022 0.000 1.056 364 S CB 0.275 63.494 63.200 0.032 0.000 0.836 364 S HN 0.733 nan 8.310 nan 0.000 0.504 365 S N 2.961 118.669 115.700 0.014 0.000 2.548 365 S HA 0.514 4.984 4.470 -0.000 0.000 0.215 365 S C 0.903 175.509 174.600 0.010 0.000 0.976 365 S CA 0.152 58.358 58.200 0.011 0.000 0.908 365 S CB -0.347 62.852 63.200 -0.002 0.000 0.781 365 S HN 1.582 nan 8.310 nan 0.000 0.519 366 G N -1.289 107.519 108.800 0.012 0.000 2.359 366 G HA2 0.532 4.492 3.960 -0.000 0.000 0.314 366 G HA3 0.532 4.492 3.960 -0.000 0.000 0.314 366 G C -0.279 174.623 174.900 0.004 0.000 1.364 366 G CA -0.213 44.893 45.100 0.009 0.000 0.978 366 G HN 1.531 nan 8.290 nan 0.000 0.615 367 G N -0.714 108.086 108.800 -0.000 0.000 2.316 367 G HA2 0.444 4.404 3.960 -0.000 0.000 0.349 367 G HA3 0.444 4.404 3.960 -0.000 0.000 0.349 367 G C -1.106 173.786 174.900 -0.014 0.000 1.274 367 G CA 0.132 45.226 45.100 -0.010 0.000 1.018 367 G HN 1.099 nan 8.290 nan 0.000 0.486 368 D N 1.291 121.674 120.400 -0.030 0.000 2.423 368 D HA 0.312 4.952 4.640 -0.000 0.000 0.238 368 D C -1.063 175.220 176.300 -0.028 0.000 1.142 368 D CA -0.752 53.221 54.000 -0.045 0.000 0.884 368 D CB 0.972 41.724 40.800 -0.080 0.000 1.199 368 D HN 0.039 nan 8.370 nan 0.000 0.438 369 P HA -0.181 nan 4.420 nan 0.000 0.217 369 P C 0.810 178.186 177.300 0.127 0.000 1.151 369 P CA 1.349 64.495 63.100 0.075 0.000 0.849 369 P CB 0.280 31.995 31.700 0.026 0.000 0.787 370 E N -1.841 118.304 120.200 -0.091 0.000 2.333 370 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 370 E C 1.591 178.118 176.600 -0.123 0.000 1.007 370 E CA 0.723 56.855 56.400 -0.446 0.000 0.845 370 E CB -0.557 28.496 29.700 -1.078 0.000 0.766 370 E HN 0.241 nan 8.360 nan 0.000 0.507 371 I N -1.433 119.113 120.570 -0.039 0.000 3.445 371 I HA -0.059 4.111 4.170 -0.000 0.000 0.288 371 I C 1.645 177.799 176.117 0.061 0.000 1.198 371 I CA 0.318 61.627 61.300 0.015 0.000 1.417 371 I CB 0.267 38.258 38.000 -0.015 0.000 1.205 371 I HN -0.085 nan 8.210 nan 0.000 0.448 372 V N 0.281 120.238 119.914 0.071 0.000 2.591 372 V HA -0.062 4.058 4.120 -0.000 0.000 0.249 372 V C 1.258 177.438 176.094 0.144 0.000 1.053 372 V CA 1.551 63.905 62.300 0.089 0.000 1.068 372 V CB -1.150 30.718 31.823 0.076 0.000 0.689 372 V HN 0.552 nan 8.190 nan 0.000 0.462 373 T N -2.422 112.250 114.554 0.196 0.000 2.937 373 T HA 0.398 4.748 4.350 -0.000 0.000 0.283 373 T C -0.234 174.655 174.700 0.314 0.000 1.012 373 T CA -0.526 61.733 62.100 0.265 0.000 0.997 373 T CB 1.378 70.441 68.868 0.326 0.000 1.136 373 T HN 0.325 nan 8.240 nan 0.000 0.551 374 H N 0.331 119.553 119.070 0.254 0.000 3.067 374 H HA 0.369 4.925 4.556 0.000 0.000 0.265 374 H C -1.155 174.401 175.328 0.381 0.000 1.234 374 H CA -1.336 54.864 56.048 0.254 0.000 1.452 374 H CB -0.476 29.391 29.762 0.175 0.000 1.527 374 H HN 0.669 nan 8.280 nan 0.000 0.486 375 W N 8.375 129.607 121.300 -0.114 0.000 2.417 375 W HA 0.471 5.131 4.660 -0.000 0.000 0.317 375 W C -1.804 174.611 176.519 -0.173 0.000 1.121 375 W CA -0.998 56.176 57.345 -0.286 0.000 1.208 375 W CB 0.382 29.596 29.460 -0.409 0.000 1.253 375 W HN 0.492 nan 8.180 nan 0.000 0.533 376 F N 3.157 122.471 119.950 -1.060 0.000 2.773 376 F HA 0.449 4.976 4.527 -0.000 0.000 0.314 376 F C -1.723 173.610 175.800 -0.778 0.000 1.160 376 F CA -1.812 55.593 58.000 -0.992 0.000 0.920 376 F CB 0.878 39.467 39.000 -0.685 0.000 1.323 376 F HN 0.368 nan 8.300 nan 0.000 0.457 377 N N 0.201 118.537 118.700 -0.606 0.000 2.405 377 N HA 0.656 5.396 4.740 -0.000 0.000 0.299 377 N C -1.930 173.404 175.510 -0.293 0.000 1.075 377 N CA -0.275 52.424 53.050 -0.585 0.000 0.884 377 N CB 1.752 39.875 38.487 -0.606 0.000 1.194 377 N HN 1.007 nan 8.380 nan 0.000 0.491 378 c N 3.017 121.461 118.600 -0.260 0.000 2.832 378 c HA 0.652 5.222 4.570 -0.000 0.000 0.383 378 c C 0.934 175.011 174.090 -0.022 0.000 1.046 378 c CA 0.328 56.555 56.329 -0.169 0.000 1.242 378 c CB -0.252 41.961 42.510 -0.494 0.000 1.693 378 c HN 1.057 nan 8.230 nan 0.000 0.497 379 G N 3.745 112.528 108.800 -0.030 0.000 2.296 379 G HA2 0.153 4.113 3.960 -0.000 0.000 0.282 379 G HA3 0.153 4.113 3.960 -0.000 0.000 0.282 379 G C 1.522 176.423 174.900 0.002 0.000 1.014 379 G CA 1.661 46.769 45.100 0.013 0.000 0.812 379 G HN 2.911 nan 8.290 nan 0.000 0.508 380 G N -1.896 106.866 108.800 -0.063 0.000 2.225 380 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 380 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 380 G C 0.137 174.889 174.900 -0.247 0.000 0.988 380 G CA 0.829 45.864 45.100 -0.108 0.000 0.625 380 G HN 0.980 nan 8.290 nan 0.000 0.527 381 E N -0.103 119.996 120.200 -0.169 0.000 2.231 381 E HA 0.584 4.934 4.350 -0.000 0.000 0.277 381 E C -0.555 175.900 176.600 -0.243 0.000 0.999 381 E CA -0.801 55.503 56.400 -0.161 0.000 0.827 381 E CB 0.827 30.494 29.700 -0.055 0.000 1.101 381 E HN 0.180 nan 8.360 nan 0.000 0.393 382 F N 2.011 121.938 119.950 -0.039 0.000 2.421 382 F HA 0.237 4.764 4.527 0.000 0.000 0.358 382 F C 0.254 176.038 175.800 -0.026 0.000 1.115 382 F CA -0.418 57.555 58.000 -0.045 0.000 1.160 382 F CB 0.259 39.369 39.000 0.184 0.000 1.123 382 F HN 0.274 nan 8.300 nan 0.000 0.508 383 F N 2.687 122.353 119.950 -0.472 0.000 2.379 383 F HA 0.429 4.956 4.527 -0.000 0.000 0.332 383 F C -0.614 175.025 175.800 -0.268 0.000 1.096 383 F CA -1.122 56.605 58.000 -0.455 0.000 1.105 383 F CB 0.799 39.093 39.000 -1.177 0.000 1.189 383 F HN 0.229 nan 8.300 nan 0.000 0.515 384 Y N 1.110 121.483 120.300 0.122 0.000 2.349 384 Y HA 0.435 4.985 4.550 -0.000 0.000 0.324 384 Y C -0.721 175.309 175.900 0.217 0.000 1.005 384 Y CA -1.207 57.023 58.100 0.217 0.000 1.240 384 Y CB 1.461 40.031 38.460 0.182 0.000 1.117 384 Y HN 0.433 nan 8.280 nan 0.000 0.463 385 c N 3.033 121.866 118.600 0.389 0.000 2.319 385 c HA 0.327 4.897 4.570 -0.000 0.000 0.323 385 c C 0.393 174.659 174.090 0.295 0.000 1.277 385 c CA -1.290 55.249 56.329 0.351 0.000 1.517 385 c CB 0.513 43.275 42.510 0.420 0.000 2.206 385 c HN 0.763 nan 8.230 nan 0.000 0.486 386 N N 1.855 120.690 118.700 0.225 0.000 2.429 386 N HA -0.039 4.701 4.740 -0.000 0.000 0.271 386 N C 0.973 176.584 175.510 0.169 0.000 1.272 386 N CA 0.329 53.489 53.050 0.184 0.000 0.921 386 N CB 0.826 39.396 38.487 0.139 0.000 1.128 386 N HN 0.867 nan 8.380 nan 0.000 0.481 387 S N 1.166 116.988 115.700 0.203 0.000 2.572 387 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 387 S C 1.380 176.121 174.600 0.234 0.000 0.963 387 S CA -0.294 58.025 58.200 0.199 0.000 0.939 387 S CB 0.034 63.437 63.200 0.337 0.000 0.804 387 S HN 0.458 nan 8.310 nan 0.000 0.480 388 T N 2.975 117.647 114.554 0.196 0.000 2.699 388 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 388 T C 1.731 176.516 174.700 0.142 0.000 1.036 388 T CA 1.860 64.078 62.100 0.197 0.000 1.147 388 T CB -0.379 68.572 68.868 0.138 0.000 0.862 388 T HN 0.548 nan 8.240 nan 0.000 0.446 389 Q N -0.010 119.824 119.800 0.057 0.000 2.291 389 Q HA 0.063 4.403 4.340 -0.000 0.000 0.206 389 Q C 2.107 178.064 176.000 -0.072 0.000 0.976 389 Q CA 0.765 56.570 55.803 0.003 0.000 0.875 389 Q CB -0.229 28.492 28.738 -0.028 0.000 0.927 389 Q HN 0.513 nan 8.270 nan 0.000 0.450 390 L N -1.203 119.888 121.223 -0.220 0.000 2.341 390 L HA 0.037 4.377 4.340 -0.000 0.000 0.214 390 L C 0.102 176.691 176.870 -0.469 0.000 1.115 390 L CA 0.316 54.836 54.840 -0.532 0.000 0.820 390 L CB 0.310 41.698 42.059 -1.118 0.000 0.944 390 L HN 0.096 nan 8.230 nan 0.000 0.452 391 F N 0.046 120.116 119.950 0.200 0.000 2.550 391 F HA 0.347 4.874 4.527 0.000 0.000 0.348 391 F C 0.133 176.083 175.800 0.251 0.000 1.219 391 F CA -0.562 57.595 58.000 0.260 0.000 1.203 391 F CB 0.463 39.611 39.000 0.245 0.000 1.436 391 F HN -0.130 nan 8.300 nan 0.000 0.541 392 N N 1.982 120.895 118.700 0.354 0.000 2.805 392 N HA 0.150 4.890 4.740 -0.000 0.000 0.216 392 N C -1.359 174.276 175.510 0.209 0.000 1.447 392 N CA -0.078 53.121 53.050 0.250 0.000 0.785 392 N CB 0.758 39.341 38.487 0.161 0.000 1.458 392 N HN 0.366 nan 8.380 nan 0.000 0.547 393 S N -0.983 114.892 115.700 0.291 0.000 2.565 393 S HA 0.713 5.183 4.470 -0.000 0.000 0.269 393 S C -1.063 173.597 174.600 0.101 0.000 1.153 393 S CA -0.554 57.730 58.200 0.140 0.000 0.835 393 S CB 1.912 65.204 63.200 0.154 0.000 1.122 393 S HN -0.023 nan 8.310 nan 0.000 0.462 394 T N 1.867 116.282 114.554 -0.233 0.000 2.848 394 T HA 0.626 4.976 4.350 -0.000 0.000 0.285 394 T C -1.574 172.819 174.700 -0.512 0.000 0.995 394 T CA -0.258 61.725 62.100 -0.195 0.000 0.970 394 T CB 0.520 69.317 68.868 -0.119 0.000 0.976 394 T HN 0.630 nan 8.240 nan 0.000 0.441 395 W N 1.376 122.570 121.300 -0.177 0.000 2.761 395 W HA 0.613 5.273 4.660 -0.000 0.000 0.340 395 W C -0.308 176.013 176.519 -0.330 0.000 1.072 395 W CA -1.415 55.659 57.345 -0.451 0.000 1.215 395 W CB 0.393 29.379 29.460 -0.790 0.000 1.420 395 W HN 0.783 nan 8.180 nan 0.000 0.519 396 F N 1.210 121.306 119.950 0.244 0.000 3.027 396 F HA -0.356 4.171 4.527 -0.000 0.000 0.276 396 F C 0.709 176.556 175.800 0.077 0.000 0.967 396 F CA 0.028 58.113 58.000 0.142 0.000 0.929 396 F CB -1.463 37.620 39.000 0.137 0.000 0.873 396 F HN 0.393 nan 8.300 nan 0.000 0.787 411 S N 0.871 116.572 115.700 0.002 0.000 2.480 411 S HA 0.443 4.913 4.470 -0.000 0.000 0.286 411 S C 0.927 175.529 174.600 0.003 0.000 1.180 411 S CA -0.184 58.016 58.200 -0.000 0.000 1.075 411 S CB 1.236 64.433 63.200 -0.005 0.000 0.996 411 S HN 0.123 nan 8.310 nan 0.000 0.487 412 D N 2.378 122.780 120.400 0.003 0.000 2.126 412 D HA -0.064 4.576 4.640 -0.000 0.000 0.190 412 D C 1.145 177.449 176.300 0.007 0.000 1.001 412 D CA 1.776 55.780 54.000 0.007 0.000 0.841 412 D CB -0.210 40.593 40.800 0.005 0.000 0.949 412 D HN 0.705 nan 8.370 nan 0.000 0.446 413 T N -1.567 112.986 114.554 -0.001 0.000 2.888 413 T HA 0.579 4.929 4.350 -0.000 0.000 0.284 413 T C 0.023 174.712 174.700 -0.019 0.000 1.017 413 T CA -0.883 61.213 62.100 -0.008 0.000 1.022 413 T CB 1.412 70.276 68.868 -0.007 0.000 1.013 413 T HN -0.073 nan 8.240 nan 0.000 0.465 414 I N 3.237 123.785 120.570 -0.037 0.000 2.304 414 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 414 I C 0.213 176.295 176.117 -0.058 0.000 1.018 414 I CA -0.584 60.680 61.300 -0.060 0.000 1.260 414 I CB 1.433 39.364 38.000 -0.115 0.000 1.390 414 I HN 0.697 nan 8.210 nan 0.000 0.475 415 T N 7.444 121.975 114.554 -0.038 0.000 2.753 415 T HA 0.401 4.751 4.350 -0.000 0.000 0.297 415 T C -0.215 174.492 174.700 0.012 0.000 0.981 415 T CA -0.494 61.599 62.100 -0.013 0.000 0.956 415 T CB 0.622 69.455 68.868 -0.058 0.000 0.936 415 T HN 0.089 nan 8.240 nan 0.000 0.463 416 L N 7.104 128.357 121.223 0.050 0.000 2.276 416 L HA 0.396 4.736 4.340 -0.000 0.000 0.286 416 L C -1.900 175.061 176.870 0.151 0.000 1.061 416 L CA -2.677 52.211 54.840 0.079 0.000 0.807 416 L CB 0.395 42.498 42.059 0.073 0.000 1.177 416 L HN 0.351 nan 8.230 nan 0.000 0.429 417 P HA 0.145 nan 4.420 nan 0.000 0.271 417 P C -0.960 176.449 177.300 0.183 0.000 1.216 417 P CA -0.253 62.937 63.100 0.149 0.000 0.771 417 P CB 0.840 32.602 31.700 0.103 0.000 0.864 418 c N 3.398 122.115 118.600 0.195 0.000 2.712 418 c HA 0.608 5.178 4.570 -0.000 0.000 0.308 418 c C 0.223 174.385 174.090 0.121 0.000 1.201 418 c CA -0.577 55.877 56.329 0.209 0.000 1.554 418 c CB 2.266 44.958 42.510 0.303 0.000 2.117 418 c HN 0.617 nan 8.230 nan 0.000 0.480 419 R N 1.524 122.089 120.500 0.109 0.000 2.637 419 R HA 0.760 5.100 4.340 -0.000 0.000 0.291 419 R C -1.394 174.879 176.300 -0.045 0.000 0.963 419 R CA -0.522 55.586 56.100 0.014 0.000 0.901 419 R CB 1.025 31.326 30.300 0.002 0.000 1.160 419 R HN 0.783 nan 8.270 nan 0.000 0.457 420 I N 3.766 124.233 120.570 -0.172 0.000 2.385 420 I HA 0.304 4.474 4.170 -0.000 0.000 0.294 420 I C -0.120 175.964 176.117 -0.056 0.000 0.988 420 I CA -0.415 60.757 61.300 -0.213 0.000 1.265 420 I CB 1.594 39.351 38.000 -0.406 0.000 1.388 420 I HN 0.429 nan 8.210 nan 0.000 0.480 421 K N 4.742 125.185 120.400 0.072 0.000 2.385 421 K HA 0.421 4.741 4.320 -0.000 0.000 0.248 421 K C -0.406 176.290 176.600 0.160 0.000 0.955 421 K CA -0.755 55.553 56.287 0.036 0.000 0.816 421 K CB 2.235 34.627 32.500 -0.179 0.000 1.250 421 K HN 0.349 nan 8.250 nan 0.000 0.434 422 Q N 0.326 120.198 119.800 0.119 0.000 2.396 422 Q HA 0.274 4.614 4.340 -0.000 0.000 0.220 422 Q C -0.018 176.110 176.000 0.214 0.000 0.900 422 Q CA 0.596 56.521 55.803 0.204 0.000 0.925 422 Q CB 0.568 29.386 28.738 0.133 0.000 1.065 422 Q HN 0.464 nan 8.270 nan 0.000 0.535 423 I N 1.960 122.588 120.570 0.097 0.000 2.307 423 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 423 I C -0.817 175.321 176.117 0.036 0.000 1.021 423 I CA -0.615 60.715 61.300 0.050 0.000 1.224 423 I CB 0.879 38.874 38.000 -0.008 0.000 1.376 423 I HN -0.013 nan 8.210 nan 0.000 0.470 424 I N 5.335 125.941 120.570 0.058 0.000 2.474 424 I HA 0.322 4.492 4.170 -0.000 0.000 0.294 424 I C 0.063 176.159 176.117 -0.036 0.000 1.005 424 I CA -0.871 60.442 61.300 0.020 0.000 1.113 424 I CB 1.379 39.357 38.000 -0.036 0.000 1.289 424 I HN 0.452 nan 8.210 nan 0.000 0.436 425 N N 5.877 124.522 118.700 -0.092 0.000 2.470 425 N HA 0.285 5.025 4.740 -0.000 0.000 0.268 425 N C 0.007 175.474 175.510 -0.071 0.000 1.136 425 N CA -0.150 52.839 53.050 -0.102 0.000 0.961 425 N CB 0.960 39.361 38.487 -0.143 0.000 1.067 425 N HN 0.503 nan 8.380 nan 0.000 0.468 426 M N 1.715 121.285 119.600 -0.050 0.000 2.252 426 M HA 0.001 4.481 4.480 -0.000 0.000 0.333 426 M C 1.207 177.513 176.300 0.010 0.000 1.111 426 M CA 0.336 55.595 55.300 -0.068 0.000 1.140 426 M CB 0.705 33.229 32.600 -0.127 0.000 1.538 426 M HN 0.683 nan 8.290 nan 0.000 0.448 427 W N 0.172 121.483 121.300 0.020 0.000 2.901 427 W HA 0.187 4.848 4.660 0.000 0.000 0.281 427 W C 1.069 177.648 176.519 0.100 0.000 1.167 427 W CA -0.007 57.367 57.345 0.049 0.000 1.506 427 W CB -0.876 28.663 29.460 0.132 0.000 0.985 427 W HN 0.524 nan 8.180 nan 0.000 0.590 428 c N 1.733 120.124 118.600 -0.349 0.000 2.481 428 c HA 0.122 4.692 4.570 -0.000 0.000 0.275 428 c C 0.946 175.006 174.090 -0.050 0.000 1.419 428 c CA 1.139 57.327 56.329 -0.234 0.000 1.773 428 c CB -1.385 40.813 42.510 -0.520 0.000 1.862 428 c HN 0.333 nan 8.230 nan 0.000 0.530 429 K N -2.556 117.808 120.400 -0.060 0.000 2.809 429 K HA 0.348 4.668 4.320 -0.000 0.000 0.293 429 K C -1.525 175.055 176.600 -0.033 0.000 1.061 429 K CA -0.805 55.468 56.287 -0.023 0.000 0.837 429 K CB 0.563 33.040 32.500 -0.038 0.000 1.524 429 K HN -0.287 nan 8.250 nan 0.000 0.370 430 V N 0.940 120.841 119.914 -0.022 0.000 2.521 430 V HA 0.571 4.691 4.120 -0.000 0.000 0.286 430 V C 0.670 176.741 176.094 -0.039 0.000 1.034 430 V CA 1.524 63.809 62.300 -0.026 0.000 1.045 430 V CB 0.023 31.835 31.823 -0.019 0.000 0.974 430 V HN 0.970 nan 8.190 nan 0.000 0.480 431 G N 5.149 113.922 108.800 -0.046 0.000 2.324 431 G HA2 0.345 4.305 3.960 -0.000 0.000 0.293 431 G HA3 0.345 4.305 3.960 -0.000 0.000 0.293 431 G C -1.587 173.280 174.900 -0.055 0.000 1.297 431 G CA -0.870 44.200 45.100 -0.050 0.000 0.853 431 G HN 0.524 nan 8.290 nan 0.000 0.535 432 K N -0.586 119.780 120.400 -0.056 0.000 2.385 432 K HA 0.794 5.114 4.320 -0.000 0.000 0.248 432 K C -0.771 175.787 176.600 -0.070 0.000 0.955 432 K CA -0.714 55.539 56.287 -0.057 0.000 0.816 432 K CB 2.261 34.730 32.500 -0.051 0.000 1.250 432 K HN 0.481 nan 8.250 nan 0.000 0.434 433 M N 2.584 122.140 119.600 -0.073 0.000 2.433 433 M HA 0.429 4.909 4.480 -0.000 0.000 0.290 433 M C -1.271 174.936 176.300 -0.154 0.000 1.173 433 M CA -0.612 54.601 55.300 -0.145 0.000 0.905 433 M CB 2.553 35.058 32.600 -0.158 0.000 1.692 433 M HN 0.526 nan 8.290 nan 0.000 0.462 434 M N 2.346 121.803 119.600 -0.237 0.000 2.311 434 M HA 0.567 5.047 4.480 -0.000 0.000 0.325 434 M C -1.980 174.156 176.300 -0.274 0.000 1.061 434 M CA -0.412 54.806 55.300 -0.138 0.000 0.957 434 M CB 1.629 34.192 32.600 -0.062 0.000 1.646 434 M HN 0.663 nan 8.290 nan 0.000 0.434 435 Y N 1.560 121.926 120.300 0.110 0.000 2.602 435 Y HA 0.774 5.324 4.550 0.000 0.000 0.330 435 Y C 0.395 176.355 175.900 0.101 0.000 1.114 435 Y CA -0.830 57.352 58.100 0.138 0.000 1.182 435 Y CB 1.386 39.982 38.460 0.227 0.000 1.305 435 Y HN 0.735 nan 8.280 nan 0.000 0.502 436 A N 1.516 124.495 122.820 0.264 0.000 2.287 436 A HA 0.608 4.928 4.320 -0.000 0.000 0.273 436 A C -2.537 175.135 177.584 0.147 0.000 1.091 436 A CA -1.542 50.590 52.037 0.158 0.000 0.817 436 A CB -0.390 18.683 19.000 0.122 0.000 1.069 436 A HN 0.474 nan 8.150 nan 0.000 0.492 437 P HA 0.329 nan 4.420 nan 0.000 0.272 437 P C -2.535 174.799 177.300 0.057 0.000 1.240 437 P CA -1.014 62.126 63.100 0.067 0.000 0.791 437 P CB -0.412 31.314 31.700 0.043 0.000 0.978 438 P HA 0.132 nan 4.420 nan 0.000 0.272 438 P C 0.334 177.650 177.300 0.027 0.000 1.223 438 P CA 0.140 63.255 63.100 0.025 0.000 0.784 438 P CB 0.164 31.862 31.700 -0.003 0.000 0.923 439 I N -2.221 118.367 120.570 0.030 0.000 4.139 439 I HA 0.285 4.455 4.170 -0.000 0.000 0.335 439 I C 0.463 176.594 176.117 0.024 0.000 1.327 439 I CA 0.036 61.352 61.300 0.027 0.000 1.112 439 I CB 0.430 38.449 38.000 0.031 0.000 1.058 439 I HN 0.117 nan 8.210 nan 0.000 0.396 440 S N 0.867 116.582 115.700 0.024 0.000 2.549 440 S HA 0.687 5.157 4.470 -0.000 0.000 0.297 440 S C 0.797 175.410 174.600 0.022 0.000 1.115 440 S CA -0.157 58.057 58.200 0.024 0.000 1.059 440 S CB 1.613 64.831 63.200 0.030 0.000 1.046 440 S HN 0.368 nan 8.310 nan 0.000 0.506 441 G N 1.680 110.493 108.800 0.022 0.000 3.393 441 G HA2 0.239 4.199 3.960 -0.000 0.000 0.255 441 G HA3 0.239 4.199 3.960 -0.000 0.000 0.255 441 G C 0.162 175.078 174.900 0.026 0.000 1.097 441 G CA -0.195 44.918 45.100 0.021 0.000 0.780 441 G HN 0.655 nan 8.290 nan 0.000 0.540 442 Q N 0.626 120.445 119.800 0.030 0.000 2.903 442 Q HA 0.306 4.646 4.340 -0.000 0.000 0.342 442 Q C -0.710 175.316 176.000 0.043 0.000 0.808 442 Q CA -0.293 55.530 55.803 0.033 0.000 1.004 442 Q CB 0.967 29.721 28.738 0.027 0.000 1.470 442 Q HN 0.318 nan 8.270 nan 0.000 0.387 443 I N 1.978 122.586 120.570 0.063 0.000 2.379 443 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 443 I C 0.025 176.198 176.117 0.094 0.000 1.063 443 I CA 0.066 61.424 61.300 0.097 0.000 1.351 443 I CB 0.255 38.355 38.000 0.165 0.000 1.410 443 I HN 0.008 nan 8.210 nan 0.000 0.505 444 R N 5.423 125.951 120.500 0.046 0.000 2.575 444 R HA 0.549 4.889 4.340 -0.000 0.000 0.293 444 R C -1.677 174.605 176.300 -0.031 0.000 0.983 444 R CA -0.572 55.533 56.100 0.009 0.000 0.887 444 R CB 1.925 32.228 30.300 0.004 0.000 1.184 444 R HN 0.514 nan 8.270 nan 0.000 0.445 445 c N 1.626 120.183 118.600 -0.073 0.000 2.346 445 c HA 0.457 5.027 4.570 -0.000 0.000 0.326 445 c C 0.029 174.060 174.090 -0.098 0.000 1.224 445 c CA -0.439 55.829 56.329 -0.102 0.000 1.408 445 c CB 1.358 43.771 42.510 -0.161 0.000 2.089 445 c HN 0.750 nan 8.230 nan 0.000 0.456 446 S N 2.560 118.214 115.700 -0.077 0.000 2.442 446 S HA 0.742 5.212 4.470 -0.000 0.000 0.297 446 S C -0.257 174.290 174.600 -0.088 0.000 1.131 446 S CA -0.391 57.763 58.200 -0.076 0.000 1.092 446 S CB 1.316 64.488 63.200 -0.048 0.000 0.998 446 S HN 0.782 nan 8.310 nan 0.000 0.478 447 S N 2.399 118.033 115.700 -0.109 0.000 2.595 447 S HA 0.491 4.961 4.470 -0.000 0.000 0.281 447 S C -0.961 173.584 174.600 -0.092 0.000 1.117 447 S CA -1.013 57.121 58.200 -0.109 0.000 0.873 447 S CB 1.158 64.261 63.200 -0.163 0.000 1.108 447 S HN 0.637 nan 8.310 nan 0.000 0.477 448 N N 1.623 120.283 118.700 -0.067 0.000 2.419 448 N HA 0.421 5.161 4.740 -0.000 0.000 0.277 448 N C -0.861 174.621 175.510 -0.047 0.000 1.006 448 N CA -0.279 52.743 53.050 -0.047 0.000 0.923 448 N CB 0.995 39.468 38.487 -0.025 0.000 1.140 448 N HN 0.523 nan 8.380 nan 0.000 0.488 449 I N 1.884 122.428 120.570 -0.043 0.000 2.421 449 I HA -0.012 4.158 4.170 -0.000 0.000 0.291 449 I C 1.615 177.738 176.117 0.010 0.000 1.089 449 I CA 0.195 61.481 61.300 -0.023 0.000 1.354 449 I CB 0.422 38.426 38.000 0.006 0.000 1.413 449 I HN 0.568 nan 8.210 nan 0.000 0.513 450 T N 1.073 115.634 114.554 0.011 0.000 3.023 450 T HA 0.429 4.779 4.350 -0.000 0.000 0.253 450 T C 0.569 175.281 174.700 0.021 0.000 1.038 450 T CA 0.013 62.124 62.100 0.017 0.000 0.962 450 T CB 0.586 69.470 68.868 0.026 0.000 1.018 450 T HN 0.707 nan 8.240 nan 0.000 0.521 451 G N 0.436 109.255 108.800 0.031 0.000 2.495 451 G HA2 0.570 4.530 3.960 -0.000 0.000 0.294 451 G HA3 0.570 4.530 3.960 -0.000 0.000 0.294 451 G C -2.455 172.479 174.900 0.057 0.000 1.397 451 G CA -0.923 44.198 45.100 0.034 0.000 0.790 451 G HN 0.241 nan 8.290 nan 0.000 0.486 452 L N -1.063 120.199 121.223 0.064 0.000 2.359 452 L HA 0.731 5.071 4.340 -0.000 0.000 0.256 452 L C -0.559 176.359 176.870 0.081 0.000 1.026 452 L CA -0.640 54.259 54.840 0.099 0.000 0.828 452 L CB 2.222 44.369 42.059 0.148 0.000 1.406 452 L HN 0.474 nan 8.230 nan 0.000 0.413 453 L N 2.504 123.775 121.223 0.081 0.000 2.343 453 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 453 L C -1.074 175.831 176.870 0.058 0.000 0.996 453 L CA -0.288 54.590 54.840 0.063 0.000 0.831 453 L CB 1.369 43.453 42.059 0.041 0.000 1.232 453 L HN 0.360 nan 8.230 nan 0.000 0.413 454 L N 2.295 123.572 121.223 0.090 0.000 2.319 454 L HA 0.766 5.106 4.340 -0.000 0.000 0.267 454 L C 0.035 176.983 176.870 0.130 0.000 1.011 454 L CA -0.640 54.270 54.840 0.116 0.000 0.818 454 L CB 2.491 44.675 42.059 0.208 0.000 1.316 454 L HN 0.552 nan 8.230 nan 0.000 0.432 455 T N -1.651 112.976 114.554 0.122 0.000 2.886 455 T HA 0.481 4.831 4.350 -0.000 0.000 0.292 455 T C -0.658 174.087 174.700 0.075 0.000 1.012 455 T CA -0.895 61.261 62.100 0.092 0.000 0.982 455 T CB 2.131 71.013 68.868 0.025 0.000 1.018 455 T HN 0.607 nan 8.240 nan 0.000 0.451 456 R N 1.700 122.206 120.500 0.010 0.000 2.297 456 R HA 0.277 4.617 4.340 -0.000 0.000 0.308 456 R C 0.041 176.175 176.300 -0.277 0.000 1.029 456 R CA -0.422 55.504 56.100 -0.291 0.000 0.929 456 R CB 0.710 30.783 30.300 -0.379 0.000 1.046 456 R HN 0.708 nan 8.270 nan 0.000 0.461 457 D N 2.674 122.862 120.400 -0.354 0.000 2.103 457 D HA -0.051 4.589 4.640 -0.000 0.000 0.190 457 D C 1.063 177.249 176.300 -0.190 0.000 0.997 457 D CA 2.192 56.056 54.000 -0.227 0.000 0.833 457 D CB -0.262 40.406 40.800 -0.220 0.000 0.961 457 D HN 0.853 nan 8.370 nan 0.000 0.447 458 G N -0.749 107.905 108.800 -0.243 0.000 2.569 458 G HA2 0.208 4.168 3.960 -0.000 0.000 0.259 458 G HA3 0.208 4.168 3.960 -0.000 0.000 0.259 458 G C 0.466 175.299 174.900 -0.111 0.000 1.263 458 G CA -0.016 44.983 45.100 -0.167 0.000 0.928 458 G HN 1.277 nan 8.290 nan 0.000 0.572 459 G N -1.702 107.056 108.800 -0.070 0.000 2.721 459 G HA2 0.233 4.193 3.960 -0.000 0.000 0.686 459 G HA3 0.233 4.193 3.960 -0.000 0.000 0.686 459 G C -0.368 174.507 174.900 -0.041 0.000 1.236 459 G CA 0.468 45.538 45.100 -0.050 0.000 0.786 459 G HN 1.844 nan 8.290 nan 0.000 0.616 460 N N 0.408 119.092 118.700 -0.027 0.000 2.418 460 N HA 0.381 5.121 4.740 -0.000 0.000 0.277 460 N C 0.205 175.701 175.510 -0.023 0.000 1.317 460 N CA 1.187 54.225 53.050 -0.020 0.000 0.922 460 N CB 1.191 39.670 38.487 -0.013 0.000 1.194 460 N HN 0.985 nan 8.380 nan 0.000 0.485 461 S N 1.768 117.454 115.700 -0.024 0.000 2.706 461 S HA 0.169 4.639 4.470 -0.000 0.000 0.270 461 S C 0.803 175.393 174.600 -0.018 0.000 1.163 461 S CA -0.955 57.230 58.200 -0.025 0.000 1.042 461 S CB 0.176 63.353 63.200 -0.038 0.000 1.079 461 S HN 0.557 nan 8.310 nan 0.000 0.474 462 N N 4.249 122.942 118.700 -0.012 0.000 2.381 462 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 462 N C 0.337 175.844 175.510 -0.006 0.000 1.025 462 N CA 0.602 53.648 53.050 -0.006 0.000 0.888 462 N CB -0.892 37.593 38.487 -0.004 0.000 0.965 462 N HN 0.742 nan 8.380 nan 0.000 0.438 463 N N 1.478 120.172 118.700 -0.010 0.000 2.412 463 N HA -0.106 4.634 4.740 -0.000 0.000 0.258 463 N C -0.992 174.512 175.510 -0.010 0.000 1.236 463 N CA 0.220 53.264 53.050 -0.009 0.000 0.882 463 N CB 0.259 38.738 38.487 -0.014 0.000 1.066 463 N HN 0.147 nan 8.380 nan 0.000 0.465 464 E N 1.731 121.930 120.200 -0.001 0.000 2.042 464 E HA 0.279 4.629 4.350 -0.000 0.000 0.260 464 E C -0.995 175.611 176.600 0.010 0.000 0.975 464 E CA -0.529 55.875 56.400 0.006 0.000 0.799 464 E CB 0.233 29.944 29.700 0.018 0.000 1.131 464 E HN 0.731 nan 8.360 nan 0.000 0.423 465 S N 2.320 118.013 115.700 -0.011 0.000 2.560 465 S HA 0.272 4.742 4.470 -0.000 0.000 0.283 465 S C -0.923 173.627 174.600 -0.083 0.000 1.141 465 S CA -1.179 57.014 58.200 -0.013 0.000 0.902 465 S CB 1.688 64.885 63.200 -0.006 0.000 1.104 465 S HN 0.131 nan 8.310 nan 0.000 0.454 466 E N 2.033 122.170 120.200 -0.104 0.000 2.191 466 E HA 0.555 4.905 4.350 -0.000 0.000 0.278 466 E C -0.579 175.753 176.600 -0.447 0.000 0.972 466 E CA -0.537 55.657 56.400 -0.343 0.000 0.804 466 E CB 1.785 31.225 29.700 -0.433 0.000 1.110 466 E HN 0.720 nan 8.360 nan 0.000 0.394 467 I N 2.870 123.063 120.570 -0.628 0.000 2.377 467 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 467 I C -0.543 175.151 176.117 -0.705 0.000 0.987 467 I CA -0.676 60.353 61.300 -0.452 0.000 1.185 467 I CB 0.679 38.539 38.000 -0.233 0.000 1.341 467 I HN 0.254 nan 8.210 nan 0.000 0.455 468 F N 4.639 124.539 119.950 -0.084 0.000 2.540 468 F HA 0.647 5.174 4.527 -0.000 0.000 0.317 468 F C 0.090 175.940 175.800 0.083 0.000 1.104 468 F CA -0.691 57.313 58.000 0.007 0.000 0.913 468 F CB 1.698 40.739 39.000 0.068 0.000 1.170 468 F HN 0.266 nan 8.300 nan 0.000 0.450 469 R N 2.185 122.776 120.500 0.151 0.000 2.807 469 R HA 0.511 4.851 4.340 -0.000 0.000 0.276 469 R C -2.857 173.333 176.300 -0.183 0.000 0.979 469 R CA -2.209 53.874 56.100 -0.028 0.000 0.928 469 R CB 1.889 32.173 30.300 -0.026 0.000 1.191 469 R HN 0.266 nan 8.270 nan 0.000 0.471 470 P HA 0.052 nan 4.420 nan 0.000 0.268 470 P C -0.536 176.679 177.300 -0.142 0.000 1.205 470 P CA 0.137 62.967 63.100 -0.451 0.000 0.771 470 P CB 1.116 32.445 31.700 -0.618 0.000 0.858 471 G N 0.273 109.040 108.800 -0.055 0.000 3.247 471 G HA2 0.774 4.734 3.960 -0.000 0.000 0.226 471 G HA3 0.774 4.734 3.960 -0.000 0.000 0.226 471 G C -0.250 174.662 174.900 0.020 0.000 1.220 471 G CA -0.509 44.587 45.100 -0.007 0.000 0.875 471 G HN 0.806 nan 8.290 nan 0.000 0.606 472 G N -3.196 105.613 108.800 0.016 0.000 2.434 472 G HA2 0.503 4.463 3.960 -0.000 0.000 0.671 472 G HA3 0.503 4.463 3.960 -0.000 0.000 0.671 472 G C 0.664 175.572 174.900 0.014 0.000 1.280 472 G CA 0.860 45.969 45.100 0.016 0.000 0.975 472 G HN 2.514 nan 8.290 nan 0.000 0.510 473 G N -0.988 107.822 108.800 0.017 0.000 2.796 473 G HA2 0.029 3.989 3.960 -0.000 0.000 0.198 473 G HA3 0.029 3.989 3.960 -0.000 0.000 0.198 473 G C 0.084 175.000 174.900 0.026 0.000 1.062 473 G CA 1.049 46.163 45.100 0.024 0.000 0.752 473 G HN 1.610 nan 8.290 nan 0.000 0.487 474 D N 1.909 122.296 120.400 -0.022 0.000 2.380 474 D HA 0.495 5.135 4.640 -0.000 0.000 0.230 474 D C 1.950 178.155 176.300 -0.158 0.000 1.154 474 D CA -0.568 53.399 54.000 -0.055 0.000 0.859 474 D CB 0.537 41.290 40.800 -0.079 0.000 1.045 474 D HN 0.059 nan 8.370 nan 0.000 0.495 475 M N 2.971 122.470 119.600 -0.169 0.000 2.539 475 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 475 M C 1.644 177.435 176.300 -0.848 0.000 1.069 475 M CA 0.803 55.781 55.300 -0.536 0.000 1.081 475 M CB -0.565 31.822 32.600 -0.355 0.000 1.412 475 M HN 0.391 nan 8.290 nan 0.000 0.482 476 R N 0.312 120.538 120.500 -0.456 0.000 2.120 476 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 476 R C 1.561 177.768 176.300 -0.155 0.000 1.123 476 R CA 1.114 57.060 56.100 -0.255 0.000 0.975 476 R CB -0.256 29.923 30.300 -0.202 0.000 0.866 476 R HN 0.372 nan 8.270 nan 0.000 0.446 477 D N 0.434 120.726 120.400 -0.181 0.000 2.117 477 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 477 D C 1.447 177.711 176.300 -0.059 0.000 0.982 477 D CA 1.157 55.114 54.000 -0.073 0.000 0.828 477 D CB -0.351 40.409 40.800 -0.067 0.000 0.967 477 D HN 0.152 nan 8.370 nan 0.000 0.464 478 N N 0.233 118.772 118.700 -0.268 0.000 2.069 478 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 478 N C 1.785 177.320 175.510 0.041 0.000 1.031 478 N CA 1.034 53.922 53.050 -0.270 0.000 0.852 478 N CB -0.632 37.433 38.487 -0.703 0.000 1.018 478 N HN 0.470 nan 8.380 nan 0.000 0.423 479 W N 0.838 122.218 121.300 0.133 0.000 2.436 479 W HA 0.090 4.750 4.660 -0.000 0.000 0.284 479 W C 2.278 178.909 176.519 0.186 0.000 1.225 479 W CA -0.414 57.017 57.345 0.144 0.000 1.271 479 W CB -0.112 29.431 29.460 0.138 0.000 1.114 479 W HN -0.025 nan 8.180 nan 0.000 0.559 480 R N 0.874 121.604 120.500 0.384 0.000 2.152 480 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 480 R C 2.378 178.988 176.300 0.517 0.000 1.117 480 R CA 1.706 58.068 56.100 0.437 0.000 0.981 480 R CB -0.468 30.063 30.300 0.385 0.000 0.870 480 R HN 0.158 nan 8.270 nan 0.000 0.451 481 S N -0.023 115.919 115.700 0.404 0.000 2.515 481 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 481 S C 1.395 176.278 174.600 0.472 0.000 0.987 481 S CA 0.649 59.073 58.200 0.373 0.000 0.936 481 S CB 0.216 63.553 63.200 0.229 0.000 0.766 481 S HN 0.218 nan 8.310 nan 0.000 0.528 482 E N 0.653 121.111 120.200 0.430 0.000 2.372 482 E HA 0.303 4.653 4.350 -0.000 0.000 0.201 482 E C 1.466 178.256 176.600 0.317 0.000 0.938 482 E CA 0.283 56.916 56.400 0.388 0.000 0.944 482 E CB 0.115 30.037 29.700 0.369 0.000 0.937 482 E HN 0.524 nan 8.360 nan 0.000 0.495 483 L N 0.916 122.339 121.223 0.332 0.000 2.640 483 L HA 0.064 4.404 4.340 -0.000 0.000 0.230 483 L C 1.987 179.026 176.870 0.282 0.000 1.123 483 L CA -0.103 54.949 54.840 0.353 0.000 0.900 483 L CB -0.287 41.938 42.059 0.276 0.000 1.146 483 L HN 0.114 nan 8.230 nan 0.000 0.484 484 Y N 1.399 121.889 120.300 0.317 0.000 2.219 484 Y HA -0.305 4.245 4.550 -0.000 0.000 0.283 484 Y C 2.030 178.083 175.900 0.254 0.000 1.191 484 Y CA 1.559 59.817 58.100 0.263 0.000 1.199 484 Y CB -0.987 37.430 38.460 -0.071 0.000 0.972 484 Y HN 0.236 nan 8.280 nan 0.000 0.527 485 K N -1.003 119.159 120.400 -0.397 0.000 2.417 485 K HA 0.174 4.494 4.320 -0.000 0.000 0.196 485 K C -1.087 175.347 176.600 -0.277 0.000 1.023 485 K CA -0.185 55.881 56.287 -0.369 0.000 1.122 485 K CB -0.263 31.793 32.500 -0.739 0.000 0.850 485 K HN 0.356 nan 8.250 nan 0.000 0.521 486 Y N 2.000 122.434 120.300 0.222 0.000 2.509 486 Y HA 0.356 4.906 4.550 0.000 0.000 0.341 486 Y C -0.257 175.811 175.900 0.281 0.000 1.038 486 Y CA -1.066 57.186 58.100 0.254 0.000 1.089 486 Y CB 1.984 40.487 38.460 0.071 0.000 1.241 486 Y HN -0.040 nan 8.280 nan 0.000 0.468 487 K N -0.110 120.466 120.400 0.293 0.000 2.536 487 K HA 0.793 5.113 4.320 -0.000 0.000 0.269 487 K C -2.280 174.320 176.600 -0.001 0.000 0.965 487 K CA -1.058 55.240 56.287 0.020 0.000 0.860 487 K CB 2.494 34.808 32.500 -0.311 0.000 1.423 487 K HN 0.469 nan 8.250 nan 0.000 0.438 488 V N 2.195 122.083 119.914 -0.044 0.000 2.448 488 V HA 0.562 4.682 4.120 -0.000 0.000 0.295 488 V C -1.352 174.750 176.094 0.014 0.000 1.025 488 V CA -0.547 61.743 62.300 -0.017 0.000 0.859 488 V CB 1.479 33.244 31.823 -0.097 0.000 0.988 488 V HN 0.614 nan 8.190 nan 0.000 0.431 489 V N 7.161 127.152 119.914 0.128 0.000 2.823 489 V HA 0.662 4.782 4.120 -0.000 0.000 0.312 489 V C -0.656 175.643 176.094 0.342 0.000 1.072 489 V CA -1.004 61.403 62.300 0.178 0.000 0.937 489 V CB 2.580 34.443 31.823 0.067 0.000 1.013 489 V HN 1.030 nan 8.190 nan 0.000 0.430 490 K N 6.177 126.765 120.400 0.313 0.000 2.350 490 K HA 0.485 4.805 4.320 -0.000 0.000 0.279 490 K C -0.241 176.359 176.600 0.000 0.000 1.027 490 K CA 0.085 56.427 56.287 0.091 0.000 0.969 490 K CB 0.337 32.844 32.500 0.011 0.000 0.954 490 K HN 0.538 nan 8.250 nan 0.000 0.474 491 I N 0.000 120.523 120.570 -0.078 0.000 2.984 491 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 491 I CA 0.000 61.273 61.300 -0.046 0.000 1.566 491 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 491 I HN 0.000 nan 8.210 nan 0.000 0.494