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 3pfn_1_A DATA FIRST_RESID 72 DATA SEQUENCE TTFGPKACVL QNPQTIXHIQ DPASQRLTWN KSPKSVLVIK KXRDASLLQP DATA SEQUENCE FKELCTHLXE ENXIVYVEKK VLEDPAIASD ESFGAVKKKF CTFREDYDDI DATA SEQUENCE SNQIDFIICL GGDGTLLYAS SLFQGSVPPV XAFHLGSLGF LTPFSFENFQ DATA SEQUENCE SQVTQVIEGN AAVVLRSRLK VRVVKXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXQAXQYQ VLNEVVIDRG PSSYLSNVDV YLDGHLITTV QGDGVIVSTP DATA SEQUENCE TGSTAYAAAA GASXIHPNVP AIXITPICPH SLSFRPIVVP AGVELKIXLS DATA SEQUENCE PEARNTAWVS FDGRKRQEIR HGDSISITTS CYPLPSICVR DPVSDWFESL DATA SEQUENCE AQCLHH 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 72 T HA 0.000 nan 4.350 nan 0.000 0.228 72 T C 0.000 174.392 174.700 -0.514 0.000 1.109 72 T CA 0.000 61.934 62.100 -0.276 0.000 1.349 72 T CB 0.000 68.665 68.868 -0.338 0.000 0.612 73 T N 1.009 115.242 114.554 -0.535 0.000 2.904 73 T HA 0.710 5.060 4.350 -0.000 0.000 0.290 73 T C -1.117 173.041 174.700 -0.904 0.000 1.018 73 T CA 0.001 61.821 62.100 -0.468 0.000 1.075 73 T CB -0.251 68.484 68.868 -0.221 0.000 0.986 73 T HN 0.390 nan 8.240 nan 0.000 0.523 74 F N 2.923 122.871 119.950 -0.003 0.000 2.676 74 F HA 0.571 5.098 4.527 -0.000 0.000 0.371 74 F C 0.921 176.719 175.800 -0.003 0.000 1.141 74 F CA -0.116 57.882 58.000 -0.003 0.000 1.133 74 F CB 1.054 40.051 39.000 -0.004 0.000 1.376 74 F HN 1.034 nan 8.300 nan 0.000 0.491 75 G N 3.601 112.451 108.800 0.083 0.000 2.632 75 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.224 75 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.224 75 G C -1.879 173.032 174.900 0.020 0.000 1.341 75 G CA -0.359 44.772 45.100 0.052 0.000 0.880 75 G HN 0.399 nan 8.290 nan 0.000 0.566 76 P HA 0.146 nan 4.420 nan 0.000 0.227 76 P C 1.179 178.485 177.300 0.010 0.000 1.161 76 P CA 1.400 64.504 63.100 0.007 0.000 0.788 76 P CB 0.129 31.834 31.700 0.008 0.000 0.822 77 K N -1.311 119.104 120.400 0.024 0.000 2.435 77 K HA 0.346 4.666 4.320 -0.000 0.000 0.199 77 K C 0.965 177.589 176.600 0.040 0.000 1.153 77 K CA -0.051 56.250 56.287 0.025 0.000 0.974 77 K CB 0.814 33.328 32.500 0.023 0.000 0.997 77 K HN 0.001 nan 8.250 nan 0.000 0.547 78 A N 0.972 123.832 122.820 0.067 0.000 2.269 78 A HA 0.663 4.983 4.320 -0.000 0.000 0.319 78 A C -0.029 177.643 177.584 0.146 0.000 1.110 78 A CA -0.492 51.610 52.037 0.107 0.000 0.847 78 A CB 0.488 19.567 19.000 0.132 0.000 1.161 78 A HN 0.458 nan 8.150 nan 0.000 0.497 79 C N -1.392 118.025 119.300 0.196 0.000 3.259 79 C HA 0.751 5.211 4.460 -0.000 0.000 0.344 79 C C -0.723 174.422 174.990 0.259 0.000 1.401 79 C CA -0.168 58.988 59.018 0.229 0.000 1.219 79 C CB 0.653 28.431 27.740 0.065 0.000 1.521 79 C HN 1.721 nan 8.230 nan 0.000 0.455 80 V N -0.534 119.544 119.914 0.273 0.000 2.435 80 V HA 0.844 4.964 4.120 -0.000 0.000 0.290 80 V C 0.492 176.645 176.094 0.099 0.000 1.030 80 V CA -0.084 62.323 62.300 0.178 0.000 0.881 80 V CB 0.497 32.436 31.823 0.192 0.000 0.983 80 V HN 2.180 nan 8.190 nan 0.000 0.445 81 L N 2.993 124.252 121.223 0.061 0.000 2.562 81 L HA 0.684 5.024 4.340 -0.000 0.000 0.271 81 L C 0.956 177.844 176.870 0.031 0.000 1.167 81 L CA 0.622 55.485 54.840 0.038 0.000 0.917 81 L CB -0.962 41.113 42.059 0.027 0.000 1.187 81 L HN 1.466 nan 8.230 nan 0.000 0.482 82 Q N 2.529 122.345 119.800 0.025 0.000 2.678 82 Q HA 0.528 4.868 4.340 -0.000 0.000 0.222 82 Q C 0.341 176.349 176.000 0.013 0.000 1.281 82 Q CA 0.133 55.946 55.803 0.017 0.000 0.994 82 Q CB -1.035 27.711 28.738 0.014 0.000 1.452 82 Q HN 1.798 nan 8.270 nan 0.000 0.570 83 N N 2.020 120.726 118.700 0.011 0.000 2.479 83 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 83 N C -1.571 173.946 175.510 0.011 0.000 1.075 83 N CA -1.413 51.644 53.050 0.011 0.000 0.967 83 N CB 0.671 39.164 38.487 0.010 0.000 1.137 83 N HN 0.339 nan 8.380 nan 0.000 0.472 84 P HA -0.090 nan 4.420 nan 0.000 0.218 84 P C 1.875 179.197 177.300 0.037 0.000 1.148 84 P CA 2.004 65.126 63.100 0.037 0.000 0.822 84 P CB 0.212 31.937 31.700 0.043 0.000 0.784 85 Q N -0.816 118.998 119.800 0.024 0.000 2.435 85 Q HA -0.025 4.315 4.340 -0.000 0.000 0.207 85 Q C 1.903 177.907 176.000 0.007 0.000 0.956 85 Q CA 1.732 57.548 55.803 0.021 0.000 0.917 85 Q CB -1.627 27.120 28.738 0.016 0.000 0.997 85 Q HN 0.269 nan 8.270 nan 0.000 0.497 86 T N -0.626 113.926 114.554 -0.003 0.000 3.039 86 T HA 0.385 4.735 4.350 -0.000 0.000 0.250 86 T C 1.444 176.117 174.700 -0.045 0.000 1.052 86 T CA 0.595 62.685 62.100 -0.017 0.000 1.125 86 T CB -0.389 68.473 68.868 -0.009 0.000 0.908 86 T HN 0.781 nan 8.240 nan 0.000 0.473 90 I N 1.468 122.061 120.570 0.039 0.000 2.392 90 I HA 0.391 4.561 4.170 -0.000 0.000 0.295 90 I C 1.083 177.210 176.117 0.017 0.000 0.985 90 I CA -0.520 60.792 61.300 0.019 0.000 1.221 90 I CB 1.412 39.408 38.000 -0.006 0.000 1.366 90 I HN 0.537 nan 8.210 nan 0.000 0.467 91 Q N 3.693 123.499 119.800 0.011 0.000 2.332 91 Q HA 0.101 4.441 4.340 -0.000 0.000 0.263 91 Q C -0.170 175.827 176.000 -0.005 0.000 0.979 91 Q CA -0.446 55.359 55.803 0.004 0.000 0.885 91 Q CB 0.354 29.091 28.738 -0.002 0.000 1.218 91 Q HN 0.657 nan 8.270 nan 0.000 0.405 92 D N 2.610 123.006 120.400 -0.007 0.000 2.382 92 D HA 0.105 4.744 4.640 -0.000 0.000 0.259 92 D C -1.586 174.703 176.300 -0.018 0.000 1.224 92 D CA -1.895 52.097 54.000 -0.014 0.000 0.894 92 D CB 1.520 42.312 40.800 -0.013 0.000 1.127 92 D HN 0.308 nan 8.370 nan 0.000 0.487 93 P HA -0.025 nan 4.420 nan 0.000 0.222 93 P C 0.626 177.913 177.300 -0.022 0.000 1.147 93 P CA 0.721 63.808 63.100 -0.021 0.000 0.790 93 P CB 0.301 31.986 31.700 -0.025 0.000 0.780 94 A N -0.980 121.820 122.820 -0.034 0.000 2.132 94 A HA 0.218 4.538 4.320 -0.000 0.000 0.213 94 A C 2.254 179.824 177.584 -0.023 0.000 1.154 94 A CA 1.525 53.539 52.037 -0.038 0.000 0.753 94 A CB -1.127 17.840 19.000 -0.055 0.000 0.826 94 A HN 0.263 nan 8.150 nan 0.000 0.469 95 S N -0.672 115.017 115.700 -0.018 0.000 2.539 95 S HA 0.248 4.718 4.470 -0.000 0.000 0.221 95 S C 0.855 175.448 174.600 -0.012 0.000 0.987 95 S CA -0.369 57.823 58.200 -0.013 0.000 0.929 95 S CB 0.072 63.265 63.200 -0.011 0.000 0.832 95 S HN 0.358 nan 8.310 nan 0.000 0.492 96 Q N 2.086 121.878 119.800 -0.013 0.000 2.337 96 Q HA 0.317 4.657 4.340 -0.000 0.000 0.270 96 Q C -0.267 175.722 176.000 -0.018 0.000 1.002 96 Q CA 0.405 56.197 55.803 -0.018 0.000 0.888 96 Q CB 0.703 29.431 28.738 -0.018 0.000 1.222 96 Q HN 0.424 nan 8.270 nan 0.000 0.400 97 R N 0.540 121.022 120.500 -0.029 0.000 2.771 97 R HA 0.487 4.827 4.340 -0.000 0.000 0.274 97 R C -0.691 175.565 176.300 -0.074 0.000 0.987 97 R CA -0.959 55.121 56.100 -0.034 0.000 0.908 97 R CB 1.259 31.546 30.300 -0.022 0.000 1.213 97 R HN 0.396 nan 8.270 nan 0.000 0.468 98 L N 1.139 122.300 121.223 -0.103 0.000 2.350 98 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 98 L C -0.341 176.377 176.870 -0.254 0.000 1.099 98 L CA 0.184 54.889 54.840 -0.225 0.000 0.808 98 L CB 1.256 43.144 42.059 -0.285 0.000 1.149 98 L HN 0.791 nan 8.230 nan 0.000 0.442 99 T N 2.987 117.334 114.554 -0.345 0.000 2.881 99 T HA 0.429 4.779 4.350 -0.000 0.000 0.290 99 T C -1.155 173.323 174.700 -0.370 0.000 1.000 99 T CA -0.157 61.795 62.100 -0.246 0.000 0.978 99 T CB 0.975 69.774 68.868 -0.115 0.000 0.997 99 T HN 0.731 nan 8.240 nan 0.000 0.443 100 W N 1.597 122.869 121.300 -0.046 0.000 2.316 100 W HA 0.456 5.116 4.660 -0.000 0.000 0.308 100 W C 1.352 177.851 176.519 -0.033 0.000 1.106 100 W CA -0.614 56.701 57.345 -0.051 0.000 1.262 100 W CB -0.063 29.354 29.460 -0.072 0.000 1.233 100 W HN 0.979 nan 8.180 nan 0.000 0.447 101 N N 2.511 121.309 118.700 0.164 0.000 2.331 101 N HA 0.153 4.893 4.740 -0.000 0.000 0.180 101 N C 0.652 176.229 175.510 0.113 0.000 1.019 101 N CA 1.698 54.809 53.050 0.101 0.000 0.881 101 N CB -0.073 38.452 38.487 0.062 0.000 0.972 101 N HN 0.410 nan 8.380 nan 0.000 0.435 102 K N -0.393 120.102 120.400 0.159 0.000 2.502 102 K HA 0.709 5.029 4.320 -0.000 0.000 0.257 102 K C -0.406 176.247 176.600 0.089 0.000 0.938 102 K CA -0.169 56.179 56.287 0.101 0.000 0.819 102 K CB 0.916 33.460 32.500 0.073 0.000 1.333 102 K HN 0.352 nan 8.250 nan 0.000 0.434 103 S N 3.072 118.755 115.700 -0.030 0.000 2.537 103 S HA 0.345 4.815 4.470 -0.000 0.000 0.286 103 S C -1.921 172.525 174.600 -0.256 0.000 1.299 103 S CA -0.875 57.205 58.200 -0.201 0.000 1.067 103 S CB 0.156 63.255 63.200 -0.168 0.000 0.864 103 S HN 0.573 nan 8.310 nan 0.000 0.494 104 P HA 0.213 nan 4.420 nan 0.000 0.271 104 P C 0.054 177.253 177.300 -0.169 0.000 1.216 104 P CA -0.291 62.586 63.100 -0.373 0.000 0.776 104 P CB 1.119 32.386 31.700 -0.722 0.000 0.881 105 K N 0.723 121.102 120.400 -0.035 0.000 2.443 105 K HA 0.144 4.464 4.320 -0.000 0.000 0.200 105 K C 0.824 177.476 176.600 0.086 0.000 1.278 105 K CA 0.753 57.047 56.287 0.011 0.000 0.925 105 K CB 0.113 32.624 32.500 0.019 0.000 1.225 105 K HN 0.740 nan 8.250 nan 0.000 0.514 106 S N 0.926 116.707 115.700 0.135 0.000 2.456 106 S HA 0.672 5.142 4.470 -0.000 0.000 0.316 106 S C -0.366 174.370 174.600 0.225 0.000 1.089 106 S CA -0.698 57.638 58.200 0.227 0.000 1.101 106 S CB 1.513 64.868 63.200 0.257 0.000 0.995 106 S HN 0.077 nan 8.310 nan 0.000 0.468 107 V N 3.907 123.979 119.914 0.263 0.000 2.513 107 V HA 0.526 4.646 4.120 -0.000 0.000 0.299 107 V C -0.363 175.884 176.094 0.256 0.000 1.035 107 V CA -0.904 61.518 62.300 0.204 0.000 0.889 107 V CB 1.369 33.278 31.823 0.144 0.000 0.988 107 V HN 0.897 nan 8.190 nan 0.000 0.440 108 L N 6.008 127.333 121.223 0.171 0.000 2.282 108 L HA 0.657 4.997 4.340 -0.000 0.000 0.288 108 L C -0.432 176.568 176.870 0.217 0.000 1.033 108 L CA 0.184 55.172 54.840 0.246 0.000 0.807 108 L CB 1.504 43.685 42.059 0.204 0.000 1.209 108 L HN 0.468 nan 8.230 nan 0.000 0.423 109 V N 7.056 127.161 119.914 0.319 0.000 2.370 109 V HA 0.471 4.591 4.120 -0.000 0.000 0.283 109 V C 0.082 176.388 176.094 0.354 0.000 1.023 109 V CA -0.356 62.126 62.300 0.304 0.000 0.857 109 V CB 1.347 33.366 31.823 0.327 0.000 0.985 109 V HN 0.622 nan 8.190 nan 0.000 0.443 110 I N 5.928 126.674 120.570 0.292 0.000 2.406 110 I HA 0.533 4.703 4.170 -0.000 0.000 0.290 110 I C -0.133 176.091 176.117 0.178 0.000 0.999 110 I CA -0.518 60.943 61.300 0.268 0.000 1.124 110 I CB 1.705 39.905 38.000 0.333 0.000 1.289 110 I HN 0.667 nan 8.210 nan 0.000 0.441 111 K N 6.001 126.440 120.400 0.065 0.000 2.371 111 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 111 K C -0.711 175.847 176.600 -0.070 0.000 0.934 111 K CA -1.031 55.252 56.287 -0.006 0.000 0.798 111 K CB 2.558 35.010 32.500 -0.081 0.000 1.204 111 K HN 0.382 nan 8.250 nan 0.000 0.427 115 D N -0.096 120.249 120.400 -0.092 0.000 2.421 115 D HA 0.529 5.169 4.640 -0.000 0.000 0.254 115 D C 0.965 177.206 176.300 -0.098 0.000 1.238 115 D CA 0.466 54.418 54.000 -0.081 0.000 0.919 115 D CB 1.927 42.686 40.800 -0.069 0.000 1.152 115 D HN 0.254 nan 8.370 nan 0.000 0.552 116 A N 2.326 125.094 122.820 -0.086 0.000 2.014 116 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 116 A C 1.927 179.455 177.584 -0.093 0.000 1.163 116 A CA 1.260 53.242 52.037 -0.091 0.000 0.652 116 A CB -0.076 18.881 19.000 -0.072 0.000 0.808 116 A HN 0.534 nan 8.150 nan 0.000 0.449 117 S N 0.338 115.988 115.700 -0.084 0.000 2.442 117 S HA -0.063 4.407 4.470 -0.000 0.000 0.236 117 S C 1.438 175.962 174.600 -0.126 0.000 1.007 117 S CA 1.290 59.438 58.200 -0.086 0.000 0.965 117 S CB -0.432 62.730 63.200 -0.064 0.000 0.773 117 S HN 0.513 nan 8.310 nan 0.000 0.504 118 L N 0.605 121.745 121.223 -0.139 0.000 2.558 118 L HA 0.212 4.552 4.340 -0.000 0.000 0.225 118 L C 1.872 178.640 176.870 -0.170 0.000 1.128 118 L CA 0.098 54.831 54.840 -0.179 0.000 0.868 118 L CB -0.533 41.437 42.059 -0.148 0.000 1.006 118 L HN 0.248 nan 8.230 nan 0.000 0.454 119 L N 0.045 121.176 121.223 -0.153 0.000 1.994 119 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 119 L C 3.328 180.120 176.870 -0.129 0.000 1.071 119 L CA 1.993 56.746 54.840 -0.143 0.000 0.745 119 L CB -1.211 40.760 42.059 -0.147 0.000 0.892 119 L HN 0.403 nan 8.230 nan 0.000 0.431 120 Q N 0.539 120.253 119.800 -0.142 0.000 2.020 120 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 120 Q C 0.238 176.127 176.000 -0.185 0.000 0.982 120 Q CA 2.019 57.742 55.803 -0.133 0.000 0.838 120 Q CB -2.464 26.220 28.738 -0.090 0.000 0.899 120 Q HN 0.393 nan 8.270 nan 0.000 0.423 121 P HA -0.114 nan 4.420 nan 0.000 0.216 121 P C 1.219 178.213 177.300 -0.511 0.000 1.150 121 P CA 1.133 63.780 63.100 -0.754 0.000 0.837 121 P CB -0.291 30.643 31.700 -1.277 0.000 0.786 122 F N 1.330 121.035 119.950 -0.408 0.000 2.075 122 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 122 F C 1.944 177.674 175.800 -0.116 0.000 1.113 122 F CA 1.740 59.600 58.000 -0.233 0.000 1.218 122 F CB -0.524 38.357 39.000 -0.198 0.000 0.984 122 F HN -0.248 nan 8.300 nan 0.000 0.472 123 K N 0.171 120.456 120.400 -0.192 0.000 2.032 123 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 123 K C 2.039 178.637 176.600 -0.002 0.000 1.048 123 K CA 2.068 58.194 56.287 -0.269 0.000 0.927 123 K CB -0.400 31.830 32.500 -0.450 0.000 0.712 123 K HN 0.405 nan 8.250 nan 0.000 0.441 124 E N 0.776 120.969 120.200 -0.011 0.000 2.058 124 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 124 E C 2.059 178.755 176.600 0.159 0.000 0.997 124 E CA 1.126 57.599 56.400 0.121 0.000 0.801 124 E CB -0.108 29.696 29.700 0.174 0.000 0.746 124 E HN 0.125 nan 8.360 nan 0.000 0.450 125 L N 0.492 121.676 121.223 -0.065 0.000 2.046 125 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 125 L C 2.174 179.082 176.870 0.064 0.000 1.077 125 L CA 1.675 56.468 54.840 -0.078 0.000 0.747 125 L CB -0.294 41.626 42.059 -0.231 0.000 0.896 125 L HN 0.195 nan 8.230 nan 0.000 0.432 126 C N -1.116 118.137 119.300 -0.078 0.000 2.446 126 C HA -0.052 4.408 4.460 -0.000 0.000 0.279 126 C C 2.556 177.517 174.990 -0.048 0.000 1.366 126 C CA 1.074 60.042 59.018 -0.084 0.000 1.763 126 C CB -1.297 26.363 27.740 -0.133 0.000 1.929 126 C HN 0.613 nan 8.230 nan 0.000 0.509 127 T N -0.675 113.921 114.554 0.070 0.000 2.777 127 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 127 T C 1.819 176.562 174.700 0.072 0.000 1.040 127 T CA 1.454 63.590 62.100 0.060 0.000 1.141 127 T CB -0.508 68.443 68.868 0.139 0.000 0.868 127 T HN 0.678 nan 8.240 nan 0.000 0.444 128 H N 1.097 120.223 119.070 0.093 0.000 2.321 128 H HA 0.069 4.625 4.556 -0.000 0.000 0.300 128 H C 1.048 176.404 175.328 0.046 0.000 1.087 128 H CA 0.735 56.839 56.048 0.093 0.000 1.319 128 H CB -0.496 29.395 29.762 0.215 0.000 1.379 128 H HN 0.238 nan 8.280 nan 0.000 0.501 132 E N 1.661 121.716 120.200 -0.241 0.000 2.403 132 E HA 0.161 4.511 4.350 -0.000 0.000 0.188 132 E C -0.361 176.157 176.600 -0.137 0.000 1.056 132 E CA 0.008 56.276 56.400 -0.219 0.000 0.892 132 E CB -0.214 29.294 29.700 -0.321 0.000 1.049 132 E HN 0.220 nan 8.360 nan 0.000 0.465 136 V N 5.983 125.934 119.914 0.061 0.000 2.370 136 V HA 0.439 4.559 4.120 -0.000 0.000 0.279 136 V C -0.725 175.564 176.094 0.325 0.000 1.029 136 V CA -0.534 61.894 62.300 0.213 0.000 0.870 136 V CB 1.108 33.002 31.823 0.119 0.000 0.984 136 V HN 0.432 nan 8.190 nan 0.000 0.451 137 Y N 3.688 124.192 120.300 0.340 0.000 2.342 137 Y HA 0.703 5.253 4.550 -0.000 0.000 0.334 137 Y C 0.230 176.400 175.900 0.451 0.000 1.067 137 Y CA -0.735 57.602 58.100 0.396 0.000 1.128 137 Y CB 2.135 40.785 38.460 0.316 0.000 1.200 137 Y HN 0.567 nan 8.280 nan 0.000 0.464 138 V N -0.466 119.760 119.914 0.521 0.000 3.049 138 V HA 0.561 4.681 4.120 -0.000 0.000 0.309 138 V C -0.787 175.301 176.094 -0.011 0.000 1.148 138 V CA -1.379 61.095 62.300 0.291 0.000 0.990 138 V CB 1.805 33.632 31.823 0.008 0.000 1.039 138 V HN 0.661 nan 8.190 nan 0.000 0.430 139 E N 2.676 122.688 120.200 -0.313 0.000 2.384 139 E HA 0.428 4.778 4.350 -0.000 0.000 0.266 139 E C 1.284 177.636 176.600 -0.415 0.000 1.012 139 E CA 0.706 56.623 56.400 -0.805 0.000 0.901 139 E CB 1.611 30.994 29.700 -0.528 0.000 0.967 139 E HN 1.014 nan 8.360 nan 0.000 0.435 140 K N 3.931 124.113 120.400 -0.364 0.000 2.089 140 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 140 K C 2.299 178.790 176.600 -0.182 0.000 1.048 140 K CA 2.956 59.120 56.287 -0.205 0.000 0.926 140 K CB -1.819 30.596 32.500 -0.142 0.000 0.714 140 K HN 0.702 nan 8.250 nan 0.000 0.448 141 K N 0.545 120.829 120.400 -0.193 0.000 2.152 141 K HA 0.055 4.375 4.320 -0.000 0.000 0.206 141 K C 2.473 178.958 176.600 -0.193 0.000 1.048 141 K CA 1.587 57.773 56.287 -0.169 0.000 0.933 141 K CB -1.059 31.344 32.500 -0.161 0.000 0.721 141 K HN 0.360 nan 8.250 nan 0.000 0.447 142 V N 1.187 120.955 119.914 -0.243 0.000 2.343 142 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 142 V C 2.446 178.374 176.094 -0.277 0.000 1.051 142 V CA 1.772 63.885 62.300 -0.311 0.000 1.036 142 V CB -0.406 31.188 31.823 -0.381 0.000 0.654 142 V HN 0.542 nan 8.190 nan 0.000 0.451 143 L N -0.578 120.519 121.223 -0.211 0.000 2.395 143 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 143 L C 2.363 179.193 176.870 -0.067 0.000 1.130 143 L CA 0.880 55.653 54.840 -0.112 0.000 0.826 143 L CB -0.492 41.505 42.059 -0.103 0.000 0.941 143 L HN 0.397 nan 8.230 nan 0.000 0.451 144 E N 0.010 120.153 120.200 -0.095 0.000 2.208 144 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 144 E C 0.481 177.038 176.600 -0.071 0.000 0.988 144 E CA 0.042 56.399 56.400 -0.072 0.000 0.828 144 E CB 0.049 29.700 29.700 -0.082 0.000 0.763 144 E HN 0.306 nan 8.360 nan 0.000 0.478 145 D N 1.270 121.611 120.400 -0.098 0.000 2.531 145 D HA -0.073 4.567 4.640 -0.000 0.000 0.239 145 D C -1.437 174.824 176.300 -0.064 0.000 1.144 145 D CA -1.259 52.682 54.000 -0.099 0.000 0.869 145 D CB 0.962 41.674 40.800 -0.146 0.000 1.160 145 D HN -0.106 nan 8.370 nan 0.000 0.484 146 P HA -0.196 nan 4.420 nan 0.000 0.219 146 P C 0.954 178.237 177.300 -0.028 0.000 1.146 146 P CA 1.331 64.412 63.100 -0.033 0.000 0.808 146 P CB 0.012 31.692 31.700 -0.033 0.000 0.779 147 A N -0.099 122.691 122.820 -0.050 0.000 1.972 147 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 147 A C 2.248 179.808 177.584 -0.041 0.000 1.169 147 A CA 1.278 53.282 52.037 -0.054 0.000 0.635 147 A CB -1.038 17.911 19.000 -0.086 0.000 0.810 147 A HN 0.070 nan 8.150 nan 0.000 0.446 148 I N -0.722 119.829 120.570 -0.032 0.000 2.429 148 I HA -0.070 4.100 4.170 -0.000 0.000 0.247 148 I C 2.936 179.135 176.117 0.136 0.000 1.099 148 I CA 1.249 62.578 61.300 0.048 0.000 1.422 148 I CB -1.566 36.460 38.000 0.042 0.000 1.112 148 I HN 0.329 nan 8.210 nan 0.000 0.430 149 A N 1.551 124.413 122.820 0.071 0.000 1.908 149 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 149 A C 2.551 180.173 177.584 0.064 0.000 1.181 149 A CA 2.601 54.677 52.037 0.065 0.000 0.627 149 A CB -0.817 18.196 19.000 0.023 0.000 0.818 149 A HN 0.562 nan 8.150 nan 0.000 0.445 150 S N -0.319 115.408 115.700 0.045 0.000 2.387 150 S HA -0.085 4.385 4.470 -0.000 0.000 0.226 150 S C 0.704 175.338 174.600 0.058 0.000 1.026 150 S CA 0.722 58.945 58.200 0.038 0.000 0.972 150 S CB -0.645 62.566 63.200 0.018 0.000 0.814 150 S HN 0.449 nan 8.310 nan 0.000 0.477 151 D N 2.389 122.838 120.400 0.081 0.000 2.356 151 D HA 0.382 5.022 4.640 -0.000 0.000 0.272 151 D C 1.265 177.647 176.300 0.137 0.000 1.337 151 D CA 0.845 54.909 54.000 0.106 0.000 0.970 151 D CB 0.785 41.656 40.800 0.118 0.000 1.092 151 D HN 0.509 nan 8.370 nan 0.000 0.516 152 E N 1.954 122.209 120.200 0.093 0.000 2.106 152 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 152 E C 1.997 178.649 176.600 0.087 0.000 0.984 152 E CA 1.485 57.931 56.400 0.076 0.000 0.806 152 E CB -0.835 28.894 29.700 0.049 0.000 0.750 152 E HN 0.574 nan 8.360 nan 0.000 0.458 153 S N -0.547 115.216 115.700 0.105 0.000 2.382 153 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 153 S C 1.848 176.544 174.600 0.159 0.000 1.027 153 S CA 1.207 59.473 58.200 0.110 0.000 0.991 153 S CB -0.480 62.783 63.200 0.106 0.000 0.823 153 S HN 0.522 nan 8.310 nan 0.000 0.469 154 F N 3.177 123.154 119.950 0.045 0.000 2.780 154 F HA 0.361 4.888 4.527 -0.000 0.000 0.299 154 F C 2.094 177.937 175.800 0.071 0.000 1.146 154 F CA -0.377 57.662 58.000 0.065 0.000 1.428 154 F CB -0.738 38.322 39.000 0.099 0.000 1.115 154 F HN 0.261 nan 8.300 nan 0.000 0.583 155 G N 0.399 109.216 108.800 0.028 0.000 2.476 155 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 155 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 155 G C 1.928 176.755 174.900 -0.121 0.000 1.164 155 G CA 0.888 45.969 45.100 -0.032 0.000 0.768 155 G HN 0.503 nan 8.290 nan 0.000 0.560 156 A N -0.069 122.676 122.820 -0.126 0.000 1.883 156 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 156 A C 2.641 180.081 177.584 -0.239 0.000 1.186 156 A CA 2.087 54.040 52.037 -0.140 0.000 0.624 156 A CB -0.665 18.274 19.000 -0.102 0.000 0.822 156 A HN 0.299 nan 8.150 nan 0.000 0.444 157 V N 0.184 119.858 119.914 -0.400 0.000 2.323 157 V HA -0.182 3.937 4.120 -0.000 0.000 0.244 157 V C 3.160 178.886 176.094 -0.613 0.000 1.041 157 V CA 2.592 64.531 62.300 -0.603 0.000 1.025 157 V CB -1.253 30.105 31.823 -0.775 0.000 0.656 157 V HN 0.721 nan 8.190 nan 0.000 0.451 158 K N 0.618 120.683 120.400 -0.557 0.000 2.127 158 K HA -0.297 4.023 4.320 -0.000 0.000 0.208 158 K C 2.254 178.916 176.600 0.103 0.000 1.047 158 K CA 2.578 58.860 56.287 -0.008 0.000 0.927 158 K CB -1.311 31.195 32.500 0.009 0.000 0.716 158 K HN 0.643 nan 8.250 nan 0.000 0.450 159 K N 1.330 121.702 120.400 -0.047 0.000 2.296 159 K HA 0.047 4.367 4.320 -0.000 0.000 0.200 159 K C 2.175 178.748 176.600 -0.044 0.000 1.048 159 K CA 1.339 57.611 56.287 -0.024 0.000 0.966 159 K CB -0.144 32.328 32.500 -0.047 0.000 0.754 159 K HN 0.554 nan 8.250 nan 0.000 0.466 160 K N -0.764 119.554 120.400 -0.137 0.000 2.426 160 K HA 0.182 4.501 4.320 -0.000 0.000 0.193 160 K C -0.499 176.001 176.600 -0.167 0.000 1.028 160 K CA -0.294 55.888 56.287 -0.176 0.000 1.047 160 K CB -0.018 32.331 32.500 -0.252 0.000 0.821 160 K HN 0.352 nan 8.250 nan 0.000 0.513 161 F N 0.455 120.350 119.950 -0.093 0.000 2.450 161 F HA -0.004 4.523 4.527 -0.000 0.000 0.339 161 F C 0.850 176.584 175.800 -0.111 0.000 1.146 161 F CA -0.556 57.400 58.000 -0.075 0.000 1.267 161 F CB 0.481 39.482 39.000 0.000 0.000 1.178 161 F HN -0.127 nan 8.300 nan 0.000 0.585 162 C N 2.670 121.980 119.300 0.017 0.000 2.223 162 C HA 0.439 4.899 4.460 -0.000 0.000 0.324 162 C C 0.259 175.268 174.990 0.032 0.000 1.196 162 C CA -0.858 58.057 59.018 -0.171 0.000 1.628 162 C CB -0.967 26.306 27.740 -0.778 0.000 2.229 162 C HN 0.830 nan 8.230 nan 0.000 0.486 163 T N 1.201 115.818 114.554 0.106 0.000 2.922 163 T HA 0.777 5.127 4.350 -0.000 0.000 0.285 163 T C -0.615 174.240 174.700 0.259 0.000 1.005 163 T CA -0.378 61.803 62.100 0.134 0.000 1.061 163 T CB 1.174 70.053 68.868 0.018 0.000 1.007 163 T HN 0.592 nan 8.240 nan 0.000 0.502 164 F N -0.881 119.162 119.950 0.155 0.000 2.613 164 F HA 0.796 5.322 4.527 -0.000 0.000 0.314 164 F C -0.623 175.254 175.800 0.129 0.000 1.075 164 F CA -1.702 56.394 58.000 0.160 0.000 0.945 164 F CB 1.665 40.781 39.000 0.193 0.000 1.310 164 F HN 0.473 nan 8.300 nan 0.000 0.467 165 R N 1.272 121.879 120.500 0.179 0.000 2.229 165 R HA 0.287 4.627 4.340 -0.000 0.000 0.332 165 R C 0.979 177.425 176.300 0.242 0.000 0.989 165 R CA -0.498 55.659 56.100 0.095 0.000 0.842 165 R CB 1.681 32.065 30.300 0.139 0.000 1.119 165 R HN 0.885 nan 8.270 nan 0.000 0.456 166 E N 2.572 122.867 120.200 0.158 0.000 2.082 166 E HA -0.336 4.013 4.350 -0.000 0.000 0.215 166 E C 1.536 178.279 176.600 0.238 0.000 1.048 166 E CA 2.633 59.206 56.400 0.289 0.000 0.869 166 E CB -0.377 29.465 29.700 0.236 0.000 0.773 166 E HN 0.864 nan 8.360 nan 0.000 0.466 167 D N -2.827 117.686 120.400 0.188 0.000 2.350 167 D HA 0.103 4.743 4.640 -0.000 0.000 0.213 167 D C 1.492 177.901 176.300 0.182 0.000 1.031 167 D CA 0.684 54.778 54.000 0.157 0.000 0.861 167 D CB -0.309 40.571 40.800 0.134 0.000 0.926 167 D HN 0.501 nan 8.370 nan 0.000 0.520 168 Y N 0.663 121.005 120.300 0.069 0.000 2.539 168 Y HA 0.197 4.747 4.550 -0.000 0.000 0.284 168 Y C -0.033 175.901 175.900 0.057 0.000 1.134 168 Y CA 0.212 58.344 58.100 0.054 0.000 1.251 168 Y CB 0.951 39.442 38.460 0.051 0.000 1.260 168 Y HN -0.034 nan 8.280 nan 0.000 0.528 169 D N 1.059 121.558 120.400 0.166 0.000 2.210 169 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 169 D C -1.180 175.117 176.300 -0.005 0.000 1.078 169 D CA -0.079 53.974 54.000 0.089 0.000 0.875 169 D CB 1.269 42.227 40.800 0.263 0.000 1.175 169 D HN 0.166 nan 8.370 nan 0.000 0.440 170 D N 1.824 122.165 120.400 -0.097 0.000 2.412 170 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 170 D C 0.829 176.999 176.300 -0.216 0.000 1.093 170 D CA -0.497 53.395 54.000 -0.180 0.000 0.850 170 D CB 0.591 41.292 40.800 -0.166 0.000 1.046 170 D HN 0.410 nan 8.370 nan 0.000 0.507 171 I N 0.453 120.801 120.570 -0.370 0.000 3.956 171 I HA 0.112 4.282 4.170 -0.000 0.000 0.333 171 I C 1.411 177.300 176.117 -0.380 0.000 1.302 171 I CA -0.400 60.651 61.300 -0.414 0.000 1.122 171 I CB 0.275 37.879 38.000 -0.660 0.000 1.013 171 I HN -0.014 nan 8.210 nan 0.000 0.405 172 S N 2.389 117.835 115.700 -0.422 0.000 2.400 172 S HA -0.246 4.224 4.470 -0.000 0.000 0.234 172 S C 1.276 175.898 174.600 0.038 0.000 1.049 172 S CA 2.545 60.576 58.200 -0.283 0.000 1.039 172 S CB -0.686 62.365 63.200 -0.249 0.000 0.856 172 S HN 0.733 nan 8.310 nan 0.000 0.465 173 N N -0.328 118.349 118.700 -0.038 0.000 2.187 173 N HA 0.188 4.928 4.740 -0.000 0.000 0.212 173 N C 1.183 176.685 175.510 -0.014 0.000 1.152 173 N CA -0.110 52.936 53.050 -0.006 0.000 0.872 173 N CB 0.420 38.892 38.487 -0.026 0.000 1.025 173 N HN 0.379 nan 8.380 nan 0.000 0.514 174 Q N -0.060 119.703 119.800 -0.062 0.000 2.392 174 Q HA 0.198 4.538 4.340 -0.000 0.000 0.219 174 Q C -0.161 175.751 176.000 -0.146 0.000 0.895 174 Q CA 0.363 56.097 55.803 -0.115 0.000 0.929 174 Q CB 1.132 29.734 28.738 -0.227 0.000 1.077 174 Q HN 0.256 nan 8.270 nan 0.000 0.532 175 I N 1.896 122.412 120.570 -0.090 0.000 2.342 175 I HA 0.049 4.219 4.170 -0.000 0.000 0.291 175 I C 0.359 176.503 176.117 0.046 0.000 1.010 175 I CA 0.047 61.323 61.300 -0.040 0.000 1.308 175 I CB 1.189 39.223 38.000 0.057 0.000 1.400 175 I HN 0.030 nan 8.210 nan 0.000 0.488 176 D N 4.775 125.244 120.400 0.116 0.000 2.277 176 D HA 0.035 4.675 4.640 -0.000 0.000 0.209 176 D C -0.102 176.429 176.300 0.385 0.000 0.970 176 D CA 1.255 55.386 54.000 0.218 0.000 0.874 176 D CB 0.539 41.454 40.800 0.192 0.000 0.982 176 D HN 0.336 nan 8.370 nan 0.000 0.504 177 F N 0.631 120.656 119.950 0.125 0.000 2.615 177 F HA 0.424 4.951 4.527 -0.000 0.000 0.312 177 F C -1.875 173.983 175.800 0.096 0.000 1.119 177 F CA -1.437 56.666 58.000 0.172 0.000 0.979 177 F CB 1.044 40.162 39.000 0.196 0.000 1.266 177 F HN -0.337 nan 8.300 nan 0.000 0.444 178 I N 6.484 127.009 120.570 -0.075 0.000 2.441 178 I HA 0.498 4.668 4.170 -0.000 0.000 0.295 178 I C -0.730 175.160 176.117 -0.379 0.000 0.994 178 I CA -0.644 60.547 61.300 -0.182 0.000 1.144 178 I CB 1.890 39.855 38.000 -0.057 0.000 1.314 178 I HN 0.407 nan 8.210 nan 0.000 0.445 179 I N 5.084 125.507 120.570 -0.244 0.000 2.436 179 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 179 I C -0.817 175.365 176.117 0.109 0.000 1.010 179 I CA -0.452 60.791 61.300 -0.096 0.000 1.098 179 I CB 1.750 39.703 38.000 -0.079 0.000 1.266 179 I HN 0.532 nan 8.210 nan 0.000 0.434 180 C N 6.827 126.240 119.300 0.189 0.000 2.329 180 C HA 0.577 5.037 4.460 -0.000 0.000 0.329 180 C C 0.121 175.270 174.990 0.267 0.000 1.275 180 C CA -0.682 58.466 59.018 0.218 0.000 1.726 180 C CB 0.720 28.583 27.740 0.204 0.000 2.291 180 C HN 0.551 nan 8.230 nan 0.000 0.514 181 L N 3.948 125.286 121.223 0.192 0.000 2.294 181 L HA 0.680 5.020 4.340 -0.000 0.000 0.283 181 L C 0.675 177.603 176.870 0.096 0.000 1.015 181 L CA 0.535 55.452 54.840 0.128 0.000 0.831 181 L CB 0.712 42.788 42.059 0.028 0.000 1.217 181 L HN 1.102 nan 8.230 nan 0.000 0.420 182 G N 2.106 110.982 108.800 0.127 0.000 2.746 182 G HA2 0.018 3.978 3.960 -0.000 0.000 0.685 182 G HA3 0.018 3.978 3.960 -0.000 0.000 0.685 182 G C -0.042 174.940 174.900 0.136 0.000 1.350 182 G CA -0.488 44.676 45.100 0.108 0.000 0.837 182 G HN 0.894 nan 8.290 nan 0.000 0.564 183 G N -1.062 107.812 108.800 0.123 0.000 2.829 183 G HA2 0.861 4.821 3.960 -0.000 0.000 0.173 183 G HA3 0.861 4.821 3.960 -0.000 0.000 0.173 183 G C 0.955 175.917 174.900 0.103 0.000 1.476 183 G CA 2.085 47.261 45.100 0.126 0.000 1.072 183 G HN 2.645 nan 8.290 nan 0.000 0.577 184 D N -2.121 118.340 120.400 0.101 0.000 3.955 184 D HA -0.134 4.506 4.640 -0.000 0.000 0.142 184 D C 1.955 178.314 176.300 0.099 0.000 0.877 184 D CA 2.072 56.124 54.000 0.087 0.000 1.100 184 D CB -1.615 39.220 40.800 0.057 0.000 0.533 184 D HN 1.630 nan 8.370 nan 0.000 0.546 185 G N -1.005 107.846 108.800 0.085 0.000 2.776 185 G HA2 0.244 4.204 3.960 -0.000 0.000 0.209 185 G HA3 0.244 4.204 3.960 -0.000 0.000 0.209 185 G C 1.747 176.740 174.900 0.155 0.000 1.145 185 G CA 2.637 47.801 45.100 0.108 0.000 0.791 185 G HN 1.759 nan 8.290 nan 0.000 0.530 186 T N -0.254 114.389 114.554 0.149 0.000 2.720 186 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 186 T C 2.234 177.079 174.700 0.240 0.000 1.037 186 T CA 1.045 63.263 62.100 0.197 0.000 1.144 186 T CB -0.217 68.751 68.868 0.167 0.000 0.864 186 T HN 0.103 nan 8.240 nan 0.000 0.444 187 L N 0.250 121.590 121.223 0.195 0.000 2.179 187 L HA 0.277 4.617 4.340 -0.000 0.000 0.208 187 L C 2.641 179.617 176.870 0.178 0.000 1.096 187 L CA 0.786 55.733 54.840 0.179 0.000 0.779 187 L CB -0.540 41.612 42.059 0.155 0.000 0.922 187 L HN 0.240 nan 8.230 nan 0.000 0.443 188 L N -2.011 119.322 121.223 0.183 0.000 2.046 188 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 188 L C 2.539 179.531 176.870 0.204 0.000 1.077 188 L CA 1.376 56.323 54.840 0.177 0.000 0.747 188 L CB -0.598 41.563 42.059 0.170 0.000 0.896 188 L HN 0.261 nan 8.230 nan 0.000 0.432 189 Y N 0.569 120.941 120.300 0.121 0.000 2.200 189 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 189 Y C 2.452 178.449 175.900 0.162 0.000 1.137 189 Y CA 1.060 59.237 58.100 0.128 0.000 1.163 189 Y CB -0.283 38.249 38.460 0.120 0.000 0.988 189 Y HN 0.099 nan 8.280 nan 0.000 0.518 190 A N -0.925 121.983 122.820 0.146 0.000 1.877 190 A HA -0.216 4.103 4.320 -0.000 0.000 0.216 190 A C 2.521 180.233 177.584 0.213 0.000 1.186 190 A CA 2.009 54.155 52.037 0.181 0.000 0.620 190 A CB -1.502 17.619 19.000 0.202 0.000 0.822 190 A HN 0.492 nan 8.150 nan 0.000 0.443 191 S N 0.340 116.134 115.700 0.156 0.000 2.370 191 S HA -0.195 4.274 4.470 -0.000 0.000 0.226 191 S C 2.272 176.923 174.600 0.085 0.000 1.033 191 S CA 2.358 60.645 58.200 0.144 0.000 1.011 191 S CB -0.592 62.686 63.200 0.130 0.000 0.852 191 S HN 0.891 nan 8.310 nan 0.000 0.457 192 S N 1.274 116.984 115.700 0.016 0.000 2.402 192 S HA 0.064 4.534 4.470 -0.000 0.000 0.229 192 S C 1.843 176.341 174.600 -0.170 0.000 1.021 192 S CA 1.061 59.237 58.200 -0.040 0.000 0.974 192 S CB -0.728 62.465 63.200 -0.012 0.000 0.800 192 S HN 0.570 nan 8.310 nan 0.000 0.484 193 L N -0.814 120.225 121.223 -0.308 0.000 2.313 193 L HA 0.241 4.580 4.340 -0.000 0.000 0.214 193 L C -0.026 176.326 176.870 -0.864 0.000 1.119 193 L CA 0.600 55.070 54.840 -0.617 0.000 0.809 193 L CB -0.247 41.324 42.059 -0.814 0.000 0.933 193 L HN 0.249 nan 8.230 nan 0.000 0.449 194 F N -0.266 119.594 119.950 -0.150 0.000 2.451 194 F HA 0.277 4.804 4.527 -0.000 0.000 0.367 194 F C 1.015 176.733 175.800 -0.137 0.000 1.100 194 F CA -0.592 57.319 58.000 -0.147 0.000 1.171 194 F CB 0.751 39.676 39.000 -0.124 0.000 1.405 194 F HN -0.141 nan 8.300 nan 0.000 0.482 195 Q N 1.190 120.938 119.800 -0.088 0.000 2.403 195 Q HA 0.220 4.559 4.340 -0.000 0.000 0.203 195 Q C 1.150 177.045 176.000 -0.174 0.000 0.932 195 Q CA 0.207 55.955 55.803 -0.091 0.000 0.945 195 Q CB 0.840 29.509 28.738 -0.114 0.000 1.045 195 Q HN 0.823 nan 8.270 nan 0.000 0.511 196 G N 0.007 108.611 108.800 -0.325 0.000 3.356 196 G HA2 0.187 4.146 3.960 -0.000 0.000 0.178 196 G HA3 0.187 4.146 3.960 -0.000 0.000 0.178 196 G C -0.678 173.645 174.900 -0.961 0.000 1.175 196 G CA -0.296 44.269 45.100 -0.891 0.000 0.840 196 G HN 0.110 nan 8.290 nan 0.000 0.658 197 S N -0.799 114.413 115.700 -0.813 0.000 2.549 197 S HA 0.320 4.789 4.470 -0.000 0.000 0.286 197 S C -0.108 174.428 174.600 -0.107 0.000 1.314 197 S CA -0.401 57.645 58.200 -0.256 0.000 1.062 197 S CB 0.219 63.368 63.200 -0.084 0.000 0.865 197 S HN 0.469 nan 8.310 nan 0.000 0.498 198 V N 8.225 128.098 119.914 -0.068 0.000 2.398 198 V HA 0.404 4.524 4.120 -0.000 0.000 0.286 198 V C -2.040 173.912 176.094 -0.237 0.000 1.026 198 V CA -1.842 60.356 62.300 -0.170 0.000 0.868 198 V CB 1.140 32.920 31.823 -0.071 0.000 0.982 198 V HN 0.773 nan 8.190 nan 0.000 0.443 199 P HA 0.238 nan 4.420 nan 0.000 0.270 199 P C -2.679 174.558 177.300 -0.104 0.000 1.223 199 P CA -1.277 61.689 63.100 -0.223 0.000 0.785 199 P CB -0.231 31.309 31.700 -0.266 0.000 0.923 200 P HA 0.015 nan 4.420 nan 0.000 0.266 200 P C -0.451 176.998 177.300 0.248 0.000 1.195 200 P CA 0.472 63.637 63.100 0.107 0.000 0.768 200 P CB 0.329 32.072 31.700 0.070 0.000 0.838 204 F N 3.487 123.598 119.950 0.269 0.000 2.450 204 F HA 0.613 5.140 4.527 -0.000 0.000 0.332 204 F C 1.082 177.015 175.800 0.222 0.000 1.093 204 F CA -0.026 58.138 58.000 0.274 0.000 1.003 204 F CB 1.640 40.792 39.000 0.254 0.000 1.151 204 F HN 0.718 nan 8.300 nan 0.000 0.474 205 H N 1.362 120.647 119.070 0.358 0.000 2.529 205 H HA 0.624 5.180 4.556 -0.000 0.000 0.348 205 H C -0.897 174.550 175.328 0.198 0.000 1.152 205 H CA -0.830 55.344 56.048 0.210 0.000 1.202 205 H CB 1.586 31.427 29.762 0.131 0.000 1.562 205 H HN 0.555 nan 8.280 nan 0.000 0.515 206 L N 2.093 123.403 121.223 0.145 0.000 2.586 206 L HA 0.281 4.621 4.340 -0.000 0.000 0.204 206 L C 2.338 179.277 176.870 0.116 0.000 1.053 206 L CA 0.782 55.653 54.840 0.052 0.000 0.856 206 L CB -0.716 41.318 42.059 -0.041 0.000 1.192 206 L HN 0.939 nan 8.230 nan 0.000 0.484 207 G N 0.293 109.164 108.800 0.119 0.000 2.622 207 G HA2 0.010 3.970 3.960 -0.000 0.000 0.206 207 G HA3 0.010 3.970 3.960 -0.000 0.000 0.206 207 G C 0.781 175.757 174.900 0.127 0.000 1.458 207 G CA 0.868 46.025 45.100 0.095 0.000 0.919 207 G HN 0.590 nan 8.290 nan 0.000 0.508 208 S N -0.755 114.997 115.700 0.086 0.000 2.651 208 S HA 0.414 4.884 4.470 -0.000 0.000 0.291 208 S C 1.112 175.673 174.600 -0.065 0.000 1.141 208 S CA -0.491 57.719 58.200 0.016 0.000 1.027 208 S CB 1.913 65.104 63.200 -0.015 0.000 1.043 208 S HN 0.343 nan 8.310 nan 0.000 0.530 209 L N 3.230 124.286 121.223 -0.278 0.000 2.043 209 L HA 0.158 4.498 4.340 -0.000 0.000 0.212 209 L C 1.521 178.204 176.870 -0.312 0.000 1.075 209 L CA 2.669 57.176 54.840 -0.555 0.000 0.752 209 L CB -1.718 40.039 42.059 -0.503 0.000 0.891 209 L HN 1.379 nan 8.230 nan 0.000 0.432 210 G N -2.056 106.611 108.800 -0.222 0.000 2.641 210 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.254 210 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.254 210 G C 0.303 175.058 174.900 -0.241 0.000 1.315 210 G CA 0.342 45.375 45.100 -0.112 0.000 0.907 210 G HN 0.286 nan 8.290 nan 0.000 0.572 211 F N -0.517 119.419 119.950 -0.024 0.000 2.752 211 F HA 0.397 4.924 4.527 -0.000 0.000 0.310 211 F C 2.125 177.951 175.800 0.043 0.000 1.097 211 F CA 0.336 58.327 58.000 -0.016 0.000 1.238 211 F CB 0.442 39.449 39.000 0.011 0.000 1.061 211 F HN 0.203 nan 8.300 nan 0.000 0.591 212 L N -0.657 120.689 121.223 0.206 0.000 2.766 212 L HA 0.241 4.581 4.340 -0.000 0.000 0.242 212 L C 0.269 177.232 176.870 0.156 0.000 1.136 212 L CA 0.149 55.095 54.840 0.177 0.000 0.933 212 L CB 0.031 42.195 42.059 0.176 0.000 1.241 212 L HN -0.024 nan 8.230 nan 0.000 0.522 213 T N -3.186 111.451 114.554 0.139 0.000 3.331 213 T HA 0.310 4.660 4.350 -0.000 0.000 0.381 213 T C -1.972 172.836 174.700 0.180 0.000 1.656 213 T CA -1.546 60.671 62.100 0.195 0.000 1.453 213 T CB 0.978 69.990 68.868 0.241 0.000 1.066 213 T HN -0.134 nan 8.240 nan 0.000 0.655 214 P HA 0.113 nan 4.420 nan 0.000 0.227 214 P C 0.052 177.332 177.300 -0.034 0.000 1.161 214 P CA -0.005 63.054 63.100 -0.067 0.000 0.788 214 P CB 0.010 31.558 31.700 -0.254 0.000 0.822 215 F N 0.513 120.489 119.950 0.043 0.000 2.412 215 F HA 0.273 4.800 4.527 -0.000 0.000 0.348 215 F C 1.503 177.322 175.800 0.031 0.000 1.102 215 F CA -0.319 57.627 58.000 -0.091 0.000 1.196 215 F CB 0.631 39.217 39.000 -0.689 0.000 1.144 215 F HN -0.215 nan 8.300 nan 0.000 0.541 216 S N 2.826 118.667 115.700 0.235 0.000 2.562 216 S HA 0.189 4.658 4.470 -0.000 0.000 0.275 216 S C 0.749 175.591 174.600 0.402 0.000 1.281 216 S CA -0.566 57.663 58.200 0.047 0.000 1.045 216 S CB 0.287 63.557 63.200 0.116 0.000 0.962 216 S HN 0.564 nan 8.310 nan 0.000 0.503 217 F N 2.676 122.733 119.950 0.178 0.000 2.604 217 F HA 0.201 4.728 4.527 -0.000 0.000 0.298 217 F C 0.872 176.784 175.800 0.187 0.000 1.131 217 F CA 0.378 58.461 58.000 0.137 0.000 1.457 217 F CB 0.004 38.927 39.000 -0.127 0.000 1.095 217 F HN 0.589 nan 8.300 nan 0.000 0.574 218 E N 1.045 121.352 120.200 0.179 0.000 2.376 218 E HA -0.050 4.300 4.350 -0.000 0.000 0.266 218 E C 0.684 177.325 176.600 0.068 0.000 1.009 218 E CA 0.420 56.886 56.400 0.110 0.000 0.902 218 E CB -0.171 29.593 29.700 0.107 0.000 0.972 218 E HN 0.269 nan 8.360 nan 0.000 0.439 219 N N 2.899 121.592 118.700 -0.013 0.000 2.735 219 N HA -0.276 4.464 4.740 -0.000 0.000 0.248 219 N C 0.440 175.874 175.510 -0.125 0.000 1.083 219 N CA 0.324 53.319 53.050 -0.092 0.000 0.703 219 N CB -0.725 37.747 38.487 -0.026 0.000 1.005 219 N HN 0.535 nan 8.380 nan 0.000 0.550 220 F N -0.222 119.540 119.950 -0.313 0.000 2.171 220 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 220 F C 2.147 177.784 175.800 -0.272 0.000 1.090 220 F CA 1.250 59.057 58.000 -0.321 0.000 1.293 220 F CB -0.587 37.798 39.000 -1.025 0.000 1.013 220 F HN 0.111 nan 8.300 nan 0.000 0.486 221 Q N 1.803 120.832 119.800 -1.285 0.000 2.030 221 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 221 Q C 2.765 178.537 176.000 -0.380 0.000 0.986 221 Q CA 2.705 57.848 55.803 -1.100 0.000 0.843 221 Q CB -1.068 26.993 28.738 -1.128 0.000 0.904 221 Q HN 0.715 nan 8.270 nan 0.000 0.420 222 S N 0.520 116.066 115.700 -0.258 0.000 2.382 222 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 222 S C 1.936 176.527 174.600 -0.016 0.000 1.027 222 S CA 1.333 59.475 58.200 -0.096 0.000 0.991 222 S CB -0.358 62.799 63.200 -0.071 0.000 0.823 222 S HN 0.335 nan 8.310 nan 0.000 0.469 223 Q N 0.134 119.943 119.800 0.016 0.000 2.079 223 Q HA -0.037 4.303 4.340 -0.000 0.000 0.200 223 Q C 2.282 178.326 176.000 0.074 0.000 0.974 223 Q CA 1.344 57.203 55.803 0.094 0.000 0.840 223 Q CB -0.356 28.486 28.738 0.173 0.000 0.898 223 Q HN 0.523 nan 8.270 nan 0.000 0.430 224 V N 0.843 120.823 119.914 0.109 0.000 2.287 224 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 224 V C 2.212 178.374 176.094 0.114 0.000 1.053 224 V CA 2.228 64.641 62.300 0.189 0.000 1.027 224 V CB -0.828 31.179 31.823 0.305 0.000 0.646 224 V HN 0.445 nan 8.190 nan 0.000 0.447 225 T N -0.747 113.850 114.554 0.071 0.000 2.746 225 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 225 T C 1.922 176.633 174.700 0.017 0.000 1.039 225 T CA 1.654 63.771 62.100 0.029 0.000 1.142 225 T CB -0.260 68.620 68.868 0.021 0.000 0.866 225 T HN 0.522 nan 8.240 nan 0.000 0.444 226 Q N 0.087 119.912 119.800 0.042 0.000 2.170 226 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 226 Q C 2.470 178.520 176.000 0.082 0.000 0.976 226 Q CA 0.899 56.738 55.803 0.061 0.000 0.858 226 Q CB -0.210 28.577 28.738 0.082 0.000 0.907 226 Q HN 0.324 nan 8.270 nan 0.000 0.433 227 V N 0.370 120.334 119.914 0.083 0.000 2.379 227 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 227 V C 1.967 178.131 176.094 0.117 0.000 1.044 227 V CA 1.422 63.788 62.300 0.111 0.000 1.036 227 V CB -0.259 31.620 31.823 0.093 0.000 0.664 227 V HN 0.337 nan 8.190 nan 0.000 0.453 228 I N -0.287 120.231 120.570 -0.086 0.000 2.193 228 I HA -0.183 3.987 4.170 -0.000 0.000 0.240 228 I C 2.413 178.401 176.117 -0.214 0.000 1.084 228 I CA 1.609 62.686 61.300 -0.372 0.000 1.365 228 I CB -0.269 37.493 38.000 -0.396 0.000 1.064 228 I HN 0.309 nan 8.210 nan 0.000 0.410 229 E N 0.478 120.638 120.200 -0.068 0.000 2.371 229 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 229 E C 1.136 177.771 176.600 0.059 0.000 1.012 229 E CA 0.299 56.690 56.400 -0.015 0.000 0.860 229 E CB 0.157 29.846 29.700 -0.019 0.000 0.811 229 E HN 0.504 nan 8.360 nan 0.000 0.502 230 G N 0.328 109.187 108.800 0.097 0.000 2.828 230 G HA2 0.205 4.165 3.960 -0.000 0.000 0.244 230 G HA3 0.205 4.165 3.960 -0.000 0.000 0.244 230 G C -0.143 174.831 174.900 0.124 0.000 1.365 230 G CA -0.582 44.578 45.100 0.099 0.000 1.041 230 G HN -0.006 nan 8.290 nan 0.000 0.560 231 N N 0.961 119.707 118.700 0.076 0.000 2.886 231 N HA 0.361 5.101 4.740 -0.000 0.000 0.285 231 N C 0.206 175.737 175.510 0.034 0.000 1.706 231 N CA -0.233 52.841 53.050 0.039 0.000 0.904 231 N CB 1.439 39.938 38.487 0.020 0.000 1.224 231 N HN 0.632 nan 8.380 nan 0.000 0.488 232 A N 0.772 123.626 122.820 0.057 0.000 2.561 232 A HA 0.408 4.728 4.320 -0.000 0.000 0.234 232 A C 0.793 178.403 177.584 0.044 0.000 1.055 232 A CA -0.154 51.929 52.037 0.078 0.000 0.756 232 A CB 0.251 19.330 19.000 0.132 0.000 0.986 232 A HN 0.507 nan 8.150 nan 0.000 0.505 233 A N 0.619 123.469 122.820 0.049 0.000 2.386 233 A HA 0.603 4.923 4.320 -0.000 0.000 0.248 233 A C 0.188 177.793 177.584 0.035 0.000 1.082 233 A CA 0.475 52.528 52.037 0.027 0.000 0.789 233 A CB -0.086 18.924 19.000 0.018 0.000 1.025 233 A HN 2.485 nan 8.150 nan 0.000 0.490 234 V N 1.039 120.963 119.914 0.017 0.000 2.971 234 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 234 V C -0.486 175.619 176.094 0.018 0.000 1.130 234 V CA -0.843 61.471 62.300 0.023 0.000 0.964 234 V CB 2.181 34.004 31.823 -0.001 0.000 1.029 234 V HN 0.844 nan 8.190 nan 0.000 0.427 235 V N 4.629 124.560 119.914 0.029 0.000 2.370 235 V HA 0.507 4.627 4.120 -0.000 0.000 0.283 235 V C 0.083 176.191 176.094 0.024 0.000 1.023 235 V CA -0.542 61.773 62.300 0.025 0.000 0.857 235 V CB 1.198 33.037 31.823 0.026 0.000 0.985 235 V HN 0.699 nan 8.190 nan 0.000 0.443 236 L N 5.950 127.182 121.223 0.015 0.000 2.358 236 L HA 0.417 4.757 4.340 -0.000 0.000 0.274 236 L C 0.647 177.530 176.870 0.022 0.000 1.136 236 L CA -0.282 54.568 54.840 0.017 0.000 0.970 236 L CB 0.012 42.075 42.059 0.008 0.000 1.314 236 L HN 0.614 nan 8.230 nan 0.000 0.427 237 R N 1.901 122.421 120.500 0.032 0.000 2.343 237 R HA 0.099 4.439 4.340 -0.000 0.000 0.326 237 R C 0.672 176.998 176.300 0.043 0.000 1.055 237 R CA -0.214 55.907 56.100 0.035 0.000 0.961 237 R CB 0.331 30.662 30.300 0.051 0.000 0.978 237 R HN 0.597 nan 8.270 nan 0.000 0.443 238 S N 3.805 119.525 115.700 0.033 0.000 2.573 238 S HA 0.144 4.614 4.470 -0.000 0.000 0.277 238 S C 0.254 174.889 174.600 0.057 0.000 1.346 238 S CA -0.349 57.875 58.200 0.040 0.000 1.034 238 S CB 1.245 64.460 63.200 0.026 0.000 0.879 238 S HN 0.555 nan 8.310 nan 0.000 0.528 239 R N 0.628 121.171 120.500 0.071 0.000 2.888 239 R HA 0.605 4.945 4.340 -0.000 0.000 0.266 239 R C -0.994 175.359 176.300 0.088 0.000 1.020 239 R CA -0.935 55.220 56.100 0.090 0.000 0.963 239 R CB 1.245 31.613 30.300 0.114 0.000 1.197 239 R HN 0.605 nan 8.270 nan 0.000 0.481 240 L N 1.308 122.594 121.223 0.105 0.000 2.325 240 L HA 0.456 4.796 4.340 -0.000 0.000 0.278 240 L C 0.133 177.080 176.870 0.129 0.000 1.023 240 L CA -0.695 54.209 54.840 0.106 0.000 0.811 240 L CB 1.314 43.439 42.059 0.110 0.000 1.249 240 L HN 0.268 nan 8.230 nan 0.000 0.431 241 K N 2.697 123.164 120.400 0.111 0.000 2.227 241 K HA 0.490 4.810 4.320 -0.000 0.000 0.280 241 K C -1.433 175.251 176.600 0.139 0.000 1.041 241 K CA -0.396 55.961 56.287 0.117 0.000 0.905 241 K CB 1.387 33.934 32.500 0.079 0.000 1.068 241 K HN 0.380 nan 8.250 nan 0.000 0.470 242 V N 5.665 125.693 119.914 0.190 0.000 2.407 242 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 242 V C -0.157 176.084 176.094 0.244 0.000 1.018 242 V CA -0.844 61.607 62.300 0.252 0.000 0.842 242 V CB 1.462 33.528 31.823 0.404 0.000 0.996 242 V HN 0.696 nan 8.190 nan 0.000 0.426 243 R N 3.197 123.805 120.500 0.180 0.000 2.265 243 R HA 0.658 4.998 4.340 -0.000 0.000 0.328 243 R C -1.241 175.159 176.300 0.165 0.000 0.969 243 R CA -0.425 55.755 56.100 0.134 0.000 0.832 243 R CB 1.852 32.193 30.300 0.068 0.000 1.139 243 R HN 0.574 nan 8.270 nan 0.000 0.457 244 V N 5.246 125.285 119.914 0.208 0.000 2.333 244 V HA 0.244 4.364 4.120 -0.000 0.000 0.274 244 V C -0.126 176.038 176.094 0.116 0.000 1.028 244 V CA -0.709 61.710 62.300 0.199 0.000 0.851 244 V CB 1.599 33.607 31.823 0.307 0.000 1.000 244 V HN 0.426 nan 8.190 nan 0.000 0.456 245 V N 6.967 126.925 119.914 0.073 0.000 2.311 245 V HA 0.504 4.624 4.120 -0.000 0.000 0.275 245 V C 0.177 176.290 176.094 0.031 0.000 1.022 245 V CA -0.515 61.809 62.300 0.040 0.000 0.830 245 V CB 0.780 32.615 31.823 0.021 0.000 1.012 245 V HN 1.029 nan 8.190 nan 0.000 0.452 280 Y N 0.626 120.841 120.300 -0.142 0.000 2.477 280 Y HA 0.438 4.988 4.550 -0.000 0.000 0.347 280 Y C -0.391 175.491 175.900 -0.030 0.000 0.981 280 Y CA -1.006 56.979 58.100 -0.191 0.000 1.033 280 Y CB 2.040 40.175 38.460 -0.543 0.000 1.245 280 Y HN 0.323 nan 8.280 nan 0.000 0.455 281 Q N 2.972 122.859 119.800 0.145 0.000 2.307 281 Q HA 0.570 4.910 4.340 -0.000 0.000 0.262 281 Q C -0.820 175.287 176.000 0.179 0.000 0.961 281 Q CA -0.823 55.072 55.803 0.153 0.000 0.882 281 Q CB 2.586 31.397 28.738 0.121 0.000 1.264 281 Q HN 0.631 nan 8.270 nan 0.000 0.446 282 V N 0.640 120.667 119.914 0.189 0.000 2.555 282 V HA 0.378 4.498 4.120 -0.000 0.000 0.302 282 V C 0.343 176.523 176.094 0.143 0.000 1.038 282 V CA -0.811 61.601 62.300 0.186 0.000 0.887 282 V CB 1.586 33.541 31.823 0.220 0.000 0.991 282 V HN 0.710 nan 8.190 nan 0.000 0.434 283 L N 3.663 124.966 121.223 0.133 0.000 2.168 283 L HA 0.290 4.629 4.340 -0.000 0.000 0.203 283 L C 1.830 178.761 176.870 0.101 0.000 1.078 283 L CA 1.724 56.633 54.840 0.114 0.000 0.780 283 L CB -0.482 41.647 42.059 0.118 0.000 0.939 283 L HN 0.833 nan 8.230 nan 0.000 0.451 284 N N -0.507 118.257 118.700 0.105 0.000 2.413 284 N HA 0.074 4.814 4.740 -0.000 0.000 0.193 284 N C 0.028 175.590 175.510 0.086 0.000 1.043 284 N CA 0.977 54.082 53.050 0.092 0.000 0.910 284 N CB 0.195 38.740 38.487 0.097 0.000 1.111 284 N HN 0.496 nan 8.380 nan 0.000 0.452 285 E N -0.375 119.883 120.200 0.097 0.000 2.437 285 E HA 0.285 4.635 4.350 -0.000 0.000 0.280 285 E C -1.502 175.141 176.600 0.072 0.000 1.044 285 E CA -0.771 55.679 56.400 0.083 0.000 0.826 285 E CB 1.797 31.548 29.700 0.086 0.000 1.358 285 E HN -0.142 nan 8.360 nan 0.000 0.459 286 V N 1.169 121.104 119.914 0.034 0.000 2.407 286 V HA 0.471 4.591 4.120 -0.000 0.000 0.291 286 V C -1.210 174.845 176.094 -0.065 0.000 1.018 286 V CA -0.477 61.784 62.300 -0.065 0.000 0.842 286 V CB 1.189 32.993 31.823 -0.032 0.000 0.996 286 V HN 0.552 nan 8.190 nan 0.000 0.426 287 V N 8.098 127.953 119.914 -0.098 0.000 2.472 287 V HA 0.561 4.681 4.120 -0.000 0.000 0.290 287 V C -0.308 175.746 176.094 -0.067 0.000 1.037 287 V CA -0.433 61.856 62.300 -0.017 0.000 0.908 287 V CB 1.648 33.520 31.823 0.081 0.000 0.985 287 V HN 0.780 nan 8.190 nan 0.000 0.454 288 I N 4.942 125.503 120.570 -0.015 0.000 2.420 288 I HA 0.445 4.615 4.170 -0.000 0.000 0.282 288 I C -0.535 175.610 176.117 0.046 0.000 1.019 288 I CA -0.182 61.117 61.300 -0.002 0.000 1.130 288 I CB 1.413 39.410 38.000 -0.006 0.000 1.262 288 I HN 0.804 nan 8.210 nan 0.000 0.454 289 D N 3.412 123.865 120.400 0.088 0.000 2.450 289 D HA 0.430 5.070 4.640 -0.000 0.000 0.238 289 D C 0.810 177.205 176.300 0.158 0.000 1.020 289 D CA -1.106 52.958 54.000 0.107 0.000 1.010 289 D CB 0.899 41.758 40.800 0.098 0.000 1.342 289 D HN 0.424 nan 8.370 nan 0.000 0.530 290 R N 0.210 120.787 120.500 0.128 0.000 2.280 290 R HA 0.232 4.572 4.340 -0.000 0.000 0.207 290 R C 1.333 177.755 176.300 0.203 0.000 1.043 290 R CA 0.399 56.587 56.100 0.148 0.000 1.006 290 R CB -0.875 29.478 30.300 0.089 0.000 0.885 290 R HN 0.587 nan 8.270 nan 0.000 0.467 291 G N 1.977 110.856 108.800 0.131 0.000 2.596 291 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.304 291 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.304 291 G C -1.358 173.489 174.900 -0.089 0.000 1.189 291 G CA 0.273 45.319 45.100 -0.089 0.000 0.986 291 G HN 0.429 nan 8.290 nan 0.000 0.548 292 P HA 0.408 nan 4.420 nan 0.000 0.255 292 P C 0.853 178.164 177.300 0.018 0.000 1.248 292 P CA 1.363 64.432 63.100 -0.053 0.000 0.807 292 P CB -0.315 31.339 31.700 -0.077 0.000 1.150 293 S N 0.292 116.031 115.700 0.065 0.000 2.516 293 S HA 0.419 4.889 4.470 -0.000 0.000 0.282 293 S C 1.689 176.315 174.600 0.042 0.000 1.286 293 S CA 0.354 58.594 58.200 0.067 0.000 1.066 293 S CB -0.062 63.191 63.200 0.089 0.000 0.884 293 S HN 0.212 nan 8.310 nan 0.000 0.491 294 S N 1.562 117.282 115.700 0.034 0.000 2.371 294 S HA 0.322 4.792 4.470 -0.000 0.000 0.224 294 S C 1.115 175.732 174.600 0.028 0.000 1.029 294 S CA 1.287 59.502 58.200 0.026 0.000 0.978 294 S CB -0.966 62.247 63.200 0.022 0.000 0.833 294 S HN 1.530 nan 8.310 nan 0.000 0.466 295 Y N 0.561 120.878 120.300 0.028 0.000 2.497 295 Y HA 0.559 5.109 4.550 -0.000 0.000 0.334 295 Y C 1.034 176.948 175.900 0.022 0.000 1.199 295 Y CA -1.139 56.973 58.100 0.021 0.000 1.425 295 Y CB -1.131 37.341 38.460 0.020 0.000 1.291 295 Y HN 0.936 nan 8.280 nan 0.000 0.562 296 L N 3.642 124.869 121.223 0.007 0.000 2.543 296 L HA 0.449 4.789 4.340 -0.000 0.000 0.285 296 L C 0.936 177.815 176.870 0.015 0.000 1.236 296 L CA -0.352 54.492 54.840 0.007 0.000 0.871 296 L CB -1.088 40.945 42.059 -0.042 0.000 1.121 296 L HN 1.754 nan 8.230 nan 0.000 0.501 297 S N 1.790 117.509 115.700 0.032 0.000 2.587 297 S HA 0.269 4.739 4.470 -0.000 0.000 0.260 297 S C 0.316 174.932 174.600 0.026 0.000 1.353 297 S CA 0.060 58.281 58.200 0.036 0.000 0.995 297 S CB 0.356 63.586 63.200 0.050 0.000 0.912 297 S HN 0.859 nan 8.310 nan 0.000 0.568 298 N N 0.422 119.138 118.700 0.026 0.000 2.722 298 N HA 0.275 5.014 4.740 -0.000 0.000 0.242 298 N C -1.875 173.654 175.510 0.031 0.000 1.398 298 N CA -0.148 52.918 53.050 0.027 0.000 0.755 298 N CB 1.561 40.066 38.487 0.031 0.000 1.268 298 N HN 0.403 nan 8.380 nan 0.000 0.522 299 V N 1.527 121.464 119.914 0.038 0.000 2.347 299 V HA 0.251 4.370 4.120 -0.000 0.000 0.280 299 V C -0.324 175.798 176.094 0.046 0.000 1.021 299 V CA -0.638 61.689 62.300 0.045 0.000 0.847 299 V CB 1.713 33.564 31.823 0.047 0.000 0.990 299 V HN 0.258 nan 8.190 nan 0.000 0.444 300 D N 3.785 124.221 120.400 0.060 0.000 2.277 300 D HA 0.373 5.012 4.640 -0.000 0.000 0.249 300 D C -0.332 175.991 176.300 0.039 0.000 1.134 300 D CA 0.116 54.123 54.000 0.012 0.000 0.863 300 D CB 1.896 42.742 40.800 0.076 0.000 1.143 300 D HN 0.248 nan 8.370 nan 0.000 0.458 301 V N 3.995 123.864 119.914 -0.075 0.000 2.370 301 V HA 0.287 4.407 4.120 -0.000 0.000 0.283 301 V C -0.624 175.394 176.094 -0.127 0.000 1.023 301 V CA -0.736 61.565 62.300 0.002 0.000 0.857 301 V CB 0.360 32.208 31.823 0.041 0.000 0.985 301 V HN 0.381 nan 8.190 nan 0.000 0.443 302 Y N 4.755 125.073 120.300 0.030 0.000 2.352 302 Y HA 0.658 5.208 4.550 -0.000 0.000 0.339 302 Y C -0.009 175.903 175.900 0.019 0.000 0.992 302 Y CA -0.737 57.377 58.100 0.023 0.000 1.100 302 Y CB 1.809 40.273 38.460 0.007 0.000 1.192 302 Y HN 0.417 nan 8.280 nan 0.000 0.458 303 L N 3.857 125.168 121.223 0.146 0.000 2.342 303 L HA 0.322 4.662 4.340 -0.000 0.000 0.276 303 L C -0.755 176.134 176.870 0.031 0.000 0.997 303 L CA -0.672 54.224 54.840 0.094 0.000 0.838 303 L CB 1.311 43.426 42.059 0.094 0.000 1.224 303 L HN 0.753 nan 8.230 nan 0.000 0.416 304 D N 3.590 123.978 120.400 -0.020 0.000 2.689 304 D HA -0.199 4.441 4.640 -0.000 0.000 0.237 304 D C 1.186 177.300 176.300 -0.311 0.000 1.148 304 D CA 1.585 55.510 54.000 -0.126 0.000 0.656 304 D CB -0.642 40.097 40.800 -0.102 0.000 1.050 304 D HN 1.084 nan 8.370 nan 0.000 0.426 305 G N -0.789 107.920 108.800 -0.150 0.000 2.205 305 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.261 305 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.261 305 G C 0.121 175.035 174.900 0.024 0.000 0.980 305 G CA 0.492 45.526 45.100 -0.110 0.000 0.632 305 G HN 0.665 nan 8.290 nan 0.000 0.533 306 H N -0.381 118.789 119.070 0.168 0.000 2.604 306 H HA 0.524 5.080 4.556 -0.000 0.000 0.306 306 H C 0.266 175.618 175.328 0.040 0.000 1.075 306 H CA -0.916 55.198 56.048 0.109 0.000 1.357 306 H CB 1.711 31.496 29.762 0.039 0.000 1.426 306 H HN 0.226 nan 8.280 nan 0.000 0.470 307 L N 4.749 125.985 121.223 0.020 0.000 2.433 307 L HA -0.032 4.307 4.340 -0.000 0.000 0.275 307 L C 0.133 176.876 176.870 -0.212 0.000 1.128 307 L CA 0.250 54.834 54.840 -0.428 0.000 0.875 307 L CB -0.166 41.592 42.059 -0.501 0.000 1.171 307 L HN 0.705 nan 8.230 nan 0.000 0.463 308 I N 2.877 123.321 120.570 -0.209 0.000 2.364 308 I HA 0.116 4.286 4.170 -0.000 0.000 0.241 308 I C 1.144 177.148 176.117 -0.187 0.000 1.082 308 I CA 0.832 62.048 61.300 -0.139 0.000 1.401 308 I CB -0.975 36.975 38.000 -0.083 0.000 1.126 308 I HN 0.715 nan 8.210 nan 0.000 0.429 309 T N -0.587 113.839 114.554 -0.214 0.000 2.711 309 T HA 0.388 4.738 4.350 -0.000 0.000 0.302 309 T C -1.161 173.439 174.700 -0.166 0.000 1.373 309 T CA -0.336 61.633 62.100 -0.220 0.000 1.000 309 T CB 1.670 70.325 68.868 -0.354 0.000 1.483 309 T HN -0.013 nan 8.240 nan 0.000 0.499 310 T N 2.024 116.505 114.554 -0.121 0.000 2.791 310 T HA 0.526 4.876 4.350 -0.000 0.000 0.288 310 T C -0.373 174.327 174.700 0.000 0.000 0.999 310 T CA -0.400 61.670 62.100 -0.051 0.000 0.952 310 T CB 0.988 69.832 68.868 -0.039 0.000 0.938 310 T HN 0.489 nan 8.240 nan 0.000 0.444 311 V N 5.244 125.199 119.914 0.068 0.000 2.470 311 V HA 0.217 4.337 4.120 -0.000 0.000 0.276 311 V C 0.254 176.409 176.094 0.103 0.000 1.040 311 V CA -0.191 62.204 62.300 0.157 0.000 1.008 311 V CB 0.383 32.325 31.823 0.198 0.000 0.990 311 V HN 0.808 nan 8.190 nan 0.000 0.477 312 Q N 4.161 124.031 119.800 0.117 0.000 2.394 312 Q HA 0.684 5.024 4.340 -0.000 0.000 0.261 312 Q C 0.269 176.341 176.000 0.120 0.000 1.023 312 Q CA -0.235 55.611 55.803 0.073 0.000 0.720 312 Q CB 2.282 31.028 28.738 0.014 0.000 1.241 312 Q HN 0.965 nan 8.270 nan 0.000 0.483 313 G N 1.487 110.342 108.800 0.092 0.000 2.435 313 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.228 313 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.228 313 G C -0.631 174.307 174.900 0.063 0.000 1.198 313 G CA -0.410 44.745 45.100 0.091 0.000 0.948 313 G HN 0.343 nan 8.290 nan 0.000 0.487 314 D N 0.214 120.642 120.400 0.048 0.000 2.234 314 D HA 0.402 5.042 4.640 -0.000 0.000 0.205 314 D C 1.306 177.637 176.300 0.051 0.000 0.962 314 D CA 2.089 56.117 54.000 0.047 0.000 0.855 314 D CB 0.650 41.475 40.800 0.042 0.000 0.951 314 D HN 1.050 nan 8.370 nan 0.000 0.500 315 G N -1.218 107.605 108.800 0.037 0.000 2.356 315 G HA2 0.233 4.193 3.960 -0.000 0.000 0.266 315 G HA3 0.233 4.193 3.960 -0.000 0.000 0.266 315 G C -1.911 172.990 174.900 0.003 0.000 1.312 315 G CA -0.148 44.974 45.100 0.037 0.000 0.922 315 G HN 0.178 nan 8.290 nan 0.000 0.480 316 V N 0.128 120.042 119.914 -0.000 0.000 2.888 316 V HA 0.770 4.890 4.120 -0.000 0.000 0.309 316 V C -1.047 175.024 176.094 -0.038 0.000 1.114 316 V CA -0.894 61.387 62.300 -0.032 0.000 0.940 316 V CB 1.661 33.498 31.823 0.023 0.000 1.021 316 V HN 0.789 nan 8.190 nan 0.000 0.426 317 I N 6.185 126.704 120.570 -0.085 0.000 2.378 317 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 317 I C -0.651 175.443 176.117 -0.038 0.000 0.992 317 I CA -0.866 60.394 61.300 -0.067 0.000 1.154 317 I CB 1.941 39.850 38.000 -0.152 0.000 1.315 317 I HN 0.299 nan 8.210 nan 0.000 0.448 318 V N 5.589 125.501 119.914 -0.003 0.000 2.313 318 V HA 0.432 4.552 4.120 -0.000 0.000 0.278 318 V C 0.002 176.112 176.094 0.026 0.000 1.017 318 V CA -0.300 62.010 62.300 0.016 0.000 0.823 318 V CB 1.011 32.855 31.823 0.034 0.000 1.010 318 V HN 0.888 nan 8.190 nan 0.000 0.443 319 S N 2.527 118.238 115.700 0.019 0.000 2.677 319 S HA 0.823 5.293 4.470 -0.000 0.000 0.304 319 S C -0.032 174.585 174.600 0.029 0.000 1.108 319 S CA -0.744 57.473 58.200 0.028 0.000 0.944 319 S CB 2.036 65.245 63.200 0.015 0.000 1.127 319 S HN 0.766 nan 8.310 nan 0.000 0.511 320 T N -2.223 112.352 114.554 0.035 0.000 2.927 320 T HA 0.513 4.863 4.350 -0.000 0.000 0.281 320 T C -2.302 172.405 174.700 0.012 0.000 0.998 320 T CA -2.011 60.107 62.100 0.029 0.000 1.019 320 T CB 0.606 69.500 68.868 0.043 0.000 1.061 320 T HN 0.255 nan 8.240 nan 0.000 0.518 321 P HA -0.063 nan 4.420 nan 0.000 0.218 321 P C 1.489 178.777 177.300 -0.020 0.000 1.146 321 P CA 1.061 64.143 63.100 -0.029 0.000 0.813 321 P CB -0.236 31.428 31.700 -0.059 0.000 0.778 322 T N -1.222 113.335 114.554 0.004 0.000 2.746 322 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 322 T C 1.951 176.672 174.700 0.034 0.000 1.039 322 T CA 1.711 63.830 62.100 0.032 0.000 1.142 322 T CB -1.162 67.739 68.868 0.054 0.000 0.866 322 T HN 0.200 nan 8.240 nan 0.000 0.444 323 G N 1.246 110.067 108.800 0.034 0.000 2.776 323 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.209 323 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.209 323 G C 1.734 176.643 174.900 0.014 0.000 1.145 323 G CA 0.910 46.034 45.100 0.039 0.000 0.791 323 G HN 0.609 nan 8.290 nan 0.000 0.530 324 S N 0.664 116.358 115.700 -0.010 0.000 2.423 324 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 324 S C 2.171 176.733 174.600 -0.064 0.000 1.014 324 S CA 1.813 59.996 58.200 -0.030 0.000 0.965 324 S CB -0.606 62.582 63.200 -0.019 0.000 0.785 324 S HN 0.397 nan 8.310 nan 0.000 0.495 325 T N -1.452 113.037 114.554 -0.109 0.000 3.107 325 T HA 0.670 5.020 4.350 -0.000 0.000 0.249 325 T C 0.967 175.645 174.700 -0.037 0.000 1.096 325 T CA 0.169 62.168 62.100 -0.168 0.000 1.012 325 T CB 0.019 68.628 68.868 -0.432 0.000 0.977 325 T HN 0.553 nan 8.240 nan 0.000 0.527 326 A N 0.991 123.820 122.820 0.015 0.000 3.453 326 A HA 0.513 4.833 4.320 -0.000 0.000 0.159 326 A C 1.410 179.068 177.584 0.123 0.000 1.974 326 A CA -0.239 51.842 52.037 0.074 0.000 1.121 326 A CB -1.075 17.980 19.000 0.091 0.000 1.879 326 A HN 0.182 nan 8.150 nan 0.000 0.752 327 Y N 0.379 120.675 120.300 -0.006 0.000 2.114 327 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 327 Y C 2.706 178.593 175.900 -0.023 0.000 1.165 327 Y CA 1.728 59.820 58.100 -0.013 0.000 1.148 327 Y CB -1.090 37.362 38.460 -0.014 0.000 0.972 327 Y HN 0.447 nan 8.280 nan 0.000 0.504 328 A N 0.312 123.079 122.820 -0.087 0.000 1.986 328 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 328 A C 2.534 180.040 177.584 -0.129 0.000 1.171 328 A CA 2.179 54.107 52.037 -0.181 0.000 0.640 328 A CB -1.447 17.491 19.000 -0.104 0.000 0.811 328 A HN 0.594 nan 8.150 nan 0.000 0.451 329 A N -0.152 122.633 122.820 -0.058 0.000 1.908 329 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 329 A C 2.475 180.034 177.584 -0.041 0.000 1.181 329 A CA 2.198 54.210 52.037 -0.041 0.000 0.627 329 A CB -0.996 17.992 19.000 -0.021 0.000 0.818 329 A HN 1.172 nan 8.150 nan 0.000 0.445 330 A N -0.847 121.959 122.820 -0.023 0.000 2.067 330 A HA 0.330 4.650 4.320 -0.000 0.000 0.219 330 A C 2.058 179.599 177.584 -0.071 0.000 1.158 330 A CA 1.572 53.605 52.037 -0.007 0.000 0.661 330 A CB -0.535 18.519 19.000 0.091 0.000 0.801 330 A HN 1.105 nan 8.150 nan 0.000 0.452 331 A N -1.956 120.763 122.820 -0.168 0.000 2.379 331 A HA 0.467 4.787 4.320 -0.000 0.000 0.236 331 A C 1.487 178.975 177.584 -0.160 0.000 1.272 331 A CA 0.954 52.864 52.037 -0.211 0.000 0.886 331 A CB -0.664 18.110 19.000 -0.377 0.000 0.962 331 A HN 1.738 nan 8.150 nan 0.000 0.504 332 G N -1.888 106.844 108.800 -0.113 0.000 2.159 332 G HA2 0.136 4.096 3.960 -0.000 0.000 0.227 332 G HA3 0.136 4.096 3.960 -0.000 0.000 0.227 332 G C 0.469 175.322 174.900 -0.079 0.000 0.986 332 G CA 0.154 45.202 45.100 -0.087 0.000 0.651 332 G HN 1.478 nan 8.290 nan 0.000 0.523 333 A N 0.028 122.796 122.820 -0.087 0.000 2.296 333 A HA 0.840 5.160 4.320 -0.000 0.000 0.264 333 A C 1.009 178.574 177.584 -0.033 0.000 1.097 333 A CA 0.926 52.923 52.037 -0.065 0.000 0.811 333 A CB 0.532 19.487 19.000 -0.075 0.000 1.072 333 A HN 0.958 nan 8.150 nan 0.000 0.495 337 H N 8.386 126.994 119.070 -0.771 0.000 3.034 337 H HA 0.095 4.651 4.556 -0.000 0.000 0.324 337 H C -1.643 173.313 175.328 -0.620 0.000 1.015 337 H CA -0.488 54.771 56.048 -1.314 0.000 1.429 337 H CB 1.525 30.608 29.762 -1.131 0.000 1.429 337 H HN 0.326 nan 8.280 nan 0.000 0.585 338 P HA -0.104 nan 4.420 nan 0.000 0.231 338 P C 0.466 177.744 177.300 -0.036 0.000 1.158 338 P CA 0.751 63.713 63.100 -0.228 0.000 0.763 338 P CB 0.449 32.026 31.700 -0.204 0.000 0.805 339 N N -0.629 118.175 118.700 0.172 0.000 2.336 339 N HA 0.026 4.766 4.740 -0.000 0.000 0.189 339 N C 0.105 175.604 175.510 -0.019 0.000 1.113 339 N CA 0.147 53.237 53.050 0.065 0.000 0.858 339 N CB -0.070 38.418 38.487 0.001 0.000 0.970 339 N HN 0.025 nan 8.380 nan 0.000 0.471 340 V N 4.027 123.923 119.914 -0.030 0.000 2.427 340 V HA 0.173 4.293 4.120 -0.000 0.000 0.268 340 V C -1.994 174.081 176.094 -0.032 0.000 1.046 340 V CA -1.344 60.925 62.300 -0.050 0.000 0.970 340 V CB 0.829 32.615 31.823 -0.063 0.000 1.001 340 V HN 0.061 nan 8.190 nan 0.000 0.476 341 P HA 0.553 nan 4.420 nan 0.000 0.280 341 P C -0.559 176.734 177.300 -0.011 0.000 1.300 341 P CA 0.162 63.252 63.100 -0.016 0.000 0.785 341 P CB 1.146 32.837 31.700 -0.015 0.000 0.874 342 A N 3.747 126.564 122.820 -0.006 0.000 2.567 342 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 342 A C -1.281 176.308 177.584 0.008 0.000 1.048 342 A CA -0.587 51.450 52.037 0.001 0.000 0.661 342 A CB 0.689 19.687 19.000 -0.004 0.000 1.288 342 A HN 0.370 nan 8.150 nan 0.000 0.424 346 T N 6.593 121.075 114.554 -0.119 0.000 2.791 346 T HA 0.464 4.814 4.350 -0.000 0.000 0.288 346 T C -2.636 171.884 174.700 -0.300 0.000 0.999 346 T CA -1.401 60.569 62.100 -0.217 0.000 0.952 346 T CB 1.626 70.380 68.868 -0.190 0.000 0.938 346 T HN 0.191 nan 8.240 nan 0.000 0.444 347 P HA 0.327 nan 4.420 nan 0.000 0.275 347 P C -0.697 176.418 177.300 -0.309 0.000 1.228 347 P CA -0.469 62.346 63.100 -0.475 0.000 0.786 347 P CB 0.783 31.911 31.700 -0.953 0.000 0.927 348 I N 2.380 122.833 120.570 -0.196 0.000 2.312 348 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 348 I C 0.379 176.448 176.117 -0.081 0.000 1.008 348 I CA -0.590 60.619 61.300 -0.151 0.000 1.226 348 I CB 0.101 38.042 38.000 -0.099 0.000 1.371 348 I HN 0.426 nan 8.210 nan 0.000 0.468 349 C N 6.104 125.359 119.300 -0.076 0.000 3.349 349 C HA -0.102 4.358 4.460 -0.000 0.000 0.275 349 C C -1.602 173.387 174.990 -0.002 0.000 1.322 349 C CA -0.970 58.029 59.018 -0.031 0.000 2.261 349 C CB -2.656 25.083 27.740 -0.002 0.000 1.446 349 C HN 0.568 nan 8.230 nan 0.000 0.533 350 P HA 0.074 nan 4.420 nan 0.000 0.269 350 P C 0.779 178.142 177.300 0.105 0.000 1.209 350 P CA 0.468 63.607 63.100 0.065 0.000 0.776 350 P CB 0.530 32.262 31.700 0.054 0.000 0.876 351 H N 1.157 120.268 119.070 0.069 0.000 2.389 351 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 351 H C 0.606 175.969 175.328 0.057 0.000 1.081 351 H CA 1.440 57.520 56.048 0.053 0.000 1.345 351 H CB 0.084 29.875 29.762 0.048 0.000 1.393 351 H HN 0.331 nan 8.280 nan 0.000 0.520 352 S N -0.497 115.273 115.700 0.117 0.000 2.410 352 S HA 0.346 4.816 4.470 -0.000 0.000 0.304 352 S C 1.499 176.145 174.600 0.077 0.000 1.095 352 S CA 0.050 58.290 58.200 0.068 0.000 1.089 352 S CB 0.342 63.612 63.200 0.117 0.000 0.968 352 S HN 0.499 nan 8.310 nan 0.000 0.480 353 L N 4.624 125.853 121.223 0.009 0.000 2.265 353 L HA 0.043 4.383 4.340 -0.000 0.000 0.215 353 L C 2.472 179.367 176.870 0.043 0.000 1.117 353 L CA 2.385 57.231 54.840 0.011 0.000 0.782 353 L CB -1.984 40.064 42.059 -0.019 0.000 0.914 353 L HN 0.935 nan 8.230 nan 0.000 0.441 354 S N -1.296 114.441 115.700 0.060 0.000 2.481 354 S HA 0.018 4.488 4.470 -0.000 0.000 0.231 354 S C 0.987 175.677 174.600 0.150 0.000 0.996 354 S CA -0.018 58.225 58.200 0.072 0.000 0.942 354 S CB -0.623 62.603 63.200 0.044 0.000 0.768 354 S HN 0.711 nan 8.310 nan 0.000 0.520 355 F N 4.034 123.976 119.950 -0.014 0.000 2.556 355 F HA 0.197 4.724 4.527 -0.000 0.000 0.344 355 F C 0.562 176.353 175.800 -0.016 0.000 1.255 355 F CA -1.066 56.927 58.000 -0.012 0.000 1.091 355 F CB 0.056 39.052 39.000 -0.006 0.000 1.325 355 F HN -0.013 nan 8.300 nan 0.000 0.627 356 R N 5.681 126.327 120.500 0.244 0.000 2.531 356 R HA 0.288 4.628 4.340 -0.000 0.000 0.273 356 R C -2.300 173.991 176.300 -0.014 0.000 1.070 356 R CA -1.506 54.628 56.100 0.056 0.000 1.112 356 R CB 0.272 30.615 30.300 0.071 0.000 1.049 356 R HN 0.400 nan 8.270 nan 0.000 0.508 357 P HA 0.015 nan 4.420 nan 0.000 0.267 357 P C -0.720 176.581 177.300 0.001 0.000 1.200 357 P CA 0.407 63.454 63.100 -0.089 0.000 0.772 357 P CB 0.497 32.145 31.700 -0.086 0.000 0.855 358 I N 1.633 122.216 120.570 0.021 0.000 2.569 358 I HA 0.315 4.485 4.170 -0.000 0.000 0.296 358 I C -0.781 175.354 176.117 0.031 0.000 1.028 358 I CA -0.867 60.465 61.300 0.054 0.000 1.082 358 I CB 2.242 40.310 38.000 0.113 0.000 1.264 358 I HN -0.041 nan 8.210 nan 0.000 0.429 359 V N 6.640 126.571 119.914 0.028 0.000 2.407 359 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 359 V C -0.175 175.933 176.094 0.023 0.000 1.018 359 V CA -0.668 61.644 62.300 0.019 0.000 0.842 359 V CB 1.601 33.430 31.823 0.011 0.000 0.996 359 V HN 0.495 nan 8.190 nan 0.000 0.426 360 V N 3.381 123.309 119.914 0.024 0.000 3.103 360 V HA 0.792 4.912 4.120 -0.000 0.000 0.318 360 V C -2.720 173.385 176.094 0.019 0.000 1.114 360 V CA -2.981 59.334 62.300 0.026 0.000 1.020 360 V CB 1.742 33.587 31.823 0.036 0.000 1.085 360 V HN 0.633 nan 8.190 nan 0.000 0.446 361 P HA 0.281 nan 4.420 nan 0.000 0.269 361 P C 0.611 177.918 177.300 0.012 0.000 1.209 361 P CA 0.343 63.450 63.100 0.011 0.000 0.776 361 P CB 0.831 32.537 31.700 0.010 0.000 0.876 362 A N 2.916 125.740 122.820 0.007 0.000 2.070 362 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 362 A C 2.006 179.596 177.584 0.009 0.000 1.159 362 A CA 1.889 53.931 52.037 0.008 0.000 0.656 362 A CB -1.467 17.535 19.000 0.003 0.000 0.800 362 A HN 0.655 nan 8.150 nan 0.000 0.453 363 G N -0.400 108.404 108.800 0.006 0.000 3.088 363 G HA2 0.343 4.303 3.960 -0.000 0.000 0.212 363 G HA3 0.343 4.303 3.960 -0.000 0.000 0.212 363 G C 0.618 175.524 174.900 0.009 0.000 1.173 363 G CA 0.591 45.693 45.100 0.004 0.000 0.779 363 G HN 0.828 nan 8.290 nan 0.000 0.540 364 V N -1.711 118.213 119.914 0.016 0.000 2.834 364 V HA 0.610 4.730 4.120 -0.000 0.000 0.301 364 V C -0.469 175.637 176.094 0.021 0.000 1.066 364 V CA -1.197 61.115 62.300 0.020 0.000 1.052 364 V CB 1.887 33.728 31.823 0.031 0.000 1.021 364 V HN 0.179 nan 8.190 nan 0.000 0.480 365 E N 2.849 123.059 120.200 0.018 0.000 2.145 365 E HA 0.564 4.914 4.350 -0.000 0.000 0.270 365 E C -1.407 175.215 176.600 0.037 0.000 0.906 365 E CA -0.760 55.653 56.400 0.021 0.000 0.761 365 E CB 1.554 31.256 29.700 0.004 0.000 1.116 365 E HN 0.794 nan 8.360 nan 0.000 0.408 366 L N 4.513 125.768 121.223 0.054 0.000 2.307 366 L HA 0.435 4.775 4.340 -0.000 0.000 0.282 366 L C -0.192 176.728 176.870 0.084 0.000 1.051 366 L CA -0.132 54.755 54.840 0.079 0.000 0.804 366 L CB 1.303 43.409 42.059 0.078 0.000 1.197 366 L HN 0.450 nan 8.230 nan 0.000 0.431 367 K N 4.056 124.529 120.400 0.122 0.000 2.463 367 K HA 0.673 4.993 4.320 -0.000 0.000 0.255 367 K C -1.162 175.552 176.600 0.190 0.000 0.942 367 K CA -0.394 55.952 56.287 0.099 0.000 0.814 367 K CB 1.117 33.606 32.500 -0.017 0.000 1.122 367 K HN 0.488 nan 8.250 nan 0.000 0.425 371 S N 2.845 118.614 115.700 0.114 0.000 2.568 371 S HA 0.226 4.696 4.470 -0.000 0.000 0.282 371 S C -1.248 173.465 174.600 0.189 0.000 1.338 371 S CA -0.717 57.559 58.200 0.127 0.000 1.045 371 S CB 0.864 64.111 63.200 0.078 0.000 0.873 371 S HN 0.531 nan 8.310 nan 0.000 0.516 372 P HA -0.044 nan 4.420 nan 0.000 0.218 372 P C 0.968 178.268 177.300 -0.001 0.000 1.148 372 P CA 1.785 64.910 63.100 0.043 0.000 0.822 372 P CB -0.218 31.488 31.700 0.011 0.000 0.784 373 E N 0.024 120.254 120.200 0.050 0.000 2.502 373 E HA 0.283 4.633 4.350 -0.000 0.000 0.194 373 E C 1.258 177.914 176.600 0.093 0.000 1.062 373 E CA 0.331 56.754 56.400 0.039 0.000 0.867 373 E CB -0.955 28.759 29.700 0.023 0.000 0.888 373 E HN 0.437 nan 8.360 nan 0.000 0.510 374 A N 0.146 123.084 122.820 0.197 0.000 2.545 374 A HA 0.474 4.794 4.320 -0.000 0.000 0.253 374 A C 1.874 179.583 177.584 0.208 0.000 1.074 374 A CA 0.641 52.785 52.037 0.179 0.000 0.760 374 A CB -0.061 19.013 19.000 0.123 0.000 1.005 374 A HN 0.707 nan 8.150 nan 0.000 0.506 375 R N 2.074 122.637 120.500 0.105 0.000 2.100 375 R HA 0.215 4.555 4.340 -0.000 0.000 0.220 375 R C 0.959 177.301 176.300 0.070 0.000 1.091 375 R CA 1.796 57.949 56.100 0.088 0.000 0.986 375 R CB -1.541 28.789 30.300 0.051 0.000 0.888 375 R HN 1.389 nan 8.270 nan 0.000 0.444 376 N N 0.277 119.002 118.700 0.041 0.000 2.402 376 N HA 0.530 5.270 4.740 -0.000 0.000 0.294 376 N C 0.238 175.726 175.510 -0.037 0.000 1.203 376 N CA -0.029 53.035 53.050 0.023 0.000 0.838 376 N CB 1.427 39.942 38.487 0.046 0.000 1.306 376 N HN 0.622 nan 8.380 nan 0.000 0.510 377 T N -2.318 112.206 114.554 -0.050 0.000 2.874 377 T HA 0.744 5.094 4.350 -0.000 0.000 0.281 377 T C 0.492 175.127 174.700 -0.107 0.000 0.994 377 T CA 0.092 62.096 62.100 -0.160 0.000 1.015 377 T CB 0.924 69.642 68.868 -0.249 0.000 1.028 377 T HN 1.231 nan 8.240 nan 0.000 0.523 378 A N 0.544 123.236 122.820 -0.213 0.000 2.313 378 A HA 0.779 5.099 4.320 -0.000 0.000 0.323 378 A C -1.609 175.770 177.584 -0.343 0.000 1.133 378 A CA -1.242 50.736 52.037 -0.098 0.000 0.847 378 A CB 0.823 19.787 19.000 -0.060 0.000 1.308 378 A HN 0.876 nan 8.150 nan 0.000 0.475 379 W N -0.779 120.493 121.300 -0.047 0.000 2.883 379 W HA 0.555 5.215 4.660 -0.000 0.000 0.335 379 W C -0.636 175.821 176.519 -0.104 0.000 1.083 379 W CA -0.481 56.828 57.345 -0.059 0.000 1.233 379 W CB 1.982 31.412 29.460 -0.049 0.000 1.412 379 W HN 0.512 nan 8.180 nan 0.000 0.490 380 V N 3.201 123.132 119.914 0.028 0.000 2.513 380 V HA 0.780 4.900 4.120 -0.000 0.000 0.299 380 V C -0.545 175.327 176.094 -0.370 0.000 1.035 380 V CA -0.280 61.891 62.300 -0.216 0.000 0.889 380 V CB 1.664 33.315 31.823 -0.286 0.000 0.988 380 V HN 0.530 nan 8.190 nan 0.000 0.440 381 S N 5.740 121.110 115.700 -0.550 0.000 2.568 381 S HA 0.759 5.229 4.470 -0.000 0.000 0.293 381 S C -1.273 172.841 174.600 -0.811 0.000 1.089 381 S CA -0.263 57.643 58.200 -0.490 0.000 0.945 381 S CB 1.576 64.670 63.200 -0.176 0.000 1.077 381 S HN 0.561 nan 8.310 nan 0.000 0.485 382 F N 1.528 121.443 119.950 -0.058 0.000 2.513 382 F HA 0.354 4.881 4.527 -0.000 0.000 0.358 382 F C 0.200 176.010 175.800 0.018 0.000 1.118 382 F CA -0.860 57.117 58.000 -0.039 0.000 1.037 382 F CB 0.789 39.721 39.000 -0.113 0.000 1.276 382 F HN 0.457 nan 8.300 nan 0.000 0.446 383 D N 2.377 122.857 120.400 0.133 0.000 2.708 383 D HA -0.191 4.449 4.640 -0.000 0.000 0.236 383 D C 1.445 177.790 176.300 0.076 0.000 1.146 383 D CA 1.737 55.805 54.000 0.112 0.000 0.662 383 D CB -0.937 39.949 40.800 0.144 0.000 1.059 383 D HN 1.085 nan 8.370 nan 0.000 0.428 384 G N -0.676 108.139 108.800 0.025 0.000 2.168 384 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.263 384 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.263 384 G C 0.456 175.372 174.900 0.026 0.000 0.977 384 G CA 0.954 46.046 45.100 -0.014 0.000 0.659 384 G HN 0.582 nan 8.290 nan 0.000 0.533 385 R N -0.837 119.717 120.500 0.090 0.000 2.902 385 R HA 0.704 5.044 4.340 -0.000 0.000 0.258 385 R C 0.564 176.983 176.300 0.198 0.000 1.071 385 R CA -0.666 55.512 56.100 0.129 0.000 1.024 385 R CB 0.718 31.109 30.300 0.152 0.000 1.184 385 R HN 0.119 nan 8.270 nan 0.000 0.492 386 K N 0.728 121.240 120.400 0.188 0.000 3.148 386 K HA -0.256 4.064 4.320 -0.000 0.000 0.267 386 K C -0.430 176.325 176.600 0.258 0.000 0.996 386 K CA 0.499 56.920 56.287 0.224 0.000 0.737 386 K CB -1.142 31.489 32.500 0.218 0.000 1.308 386 K HN 0.473 nan 8.250 nan 0.000 0.470 387 R N 2.210 122.813 120.500 0.172 0.000 2.538 387 R HA -0.035 4.305 4.340 -0.000 0.000 0.282 387 R C 0.105 176.574 176.300 0.282 0.000 1.009 387 R CA 0.677 56.881 56.100 0.173 0.000 1.063 387 R CB 0.435 30.798 30.300 0.104 0.000 0.945 387 R HN 0.373 nan 8.270 nan 0.000 0.414 388 Q N 2.318 122.308 119.800 0.317 0.000 2.377 388 Q HA 0.232 4.572 4.340 -0.000 0.000 0.279 388 Q C -1.442 174.570 176.000 0.020 0.000 1.049 388 Q CA -1.029 54.928 55.803 0.256 0.000 0.825 388 Q CB 1.491 30.335 28.738 0.176 0.000 1.401 388 Q HN 0.599 nan 8.270 nan 0.000 0.404 389 E N 1.699 121.638 120.200 -0.435 0.000 2.373 389 E HA 0.214 4.564 4.350 -0.000 0.000 0.267 389 E C -0.703 175.593 176.600 -0.507 0.000 1.032 389 E CA -0.399 55.374 56.400 -1.045 0.000 0.889 389 E CB 0.697 29.682 29.700 -1.192 0.000 0.984 389 E HN 0.401 nan 8.360 nan 0.000 0.425 390 I N 4.984 125.249 120.570 -0.508 0.000 2.382 390 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 390 I C 0.302 176.238 176.117 -0.301 0.000 1.007 390 I CA -0.233 60.896 61.300 -0.285 0.000 1.142 390 I CB 1.015 38.901 38.000 -0.192 0.000 1.289 390 I HN 0.569 nan 8.210 nan 0.000 0.453 391 R N 3.996 124.361 120.500 -0.226 0.000 2.705 391 R HA 0.454 4.794 4.340 -0.000 0.000 0.246 391 R C -0.145 176.047 176.300 -0.181 0.000 1.142 391 R CA -0.991 54.980 56.100 -0.216 0.000 1.114 391 R CB 0.894 31.116 30.300 -0.130 0.000 1.256 391 R HN 0.397 nan 8.270 nan 0.000 0.536 392 H N 0.159 119.203 119.070 -0.043 0.000 3.004 392 H HA 0.041 4.597 4.556 -0.000 0.000 0.316 392 H C 1.164 176.480 175.328 -0.021 0.000 1.014 392 H CA 1.705 57.739 56.048 -0.023 0.000 1.454 392 H CB 1.030 30.783 29.762 -0.015 0.000 1.472 392 H HN 0.942 nan 8.280 nan 0.000 0.571 393 G N 3.848 112.716 108.800 0.112 0.000 2.234 393 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.235 393 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.235 393 G C -0.068 174.844 174.900 0.020 0.000 0.997 393 G CA -0.004 45.128 45.100 0.054 0.000 0.623 393 G HN 0.560 nan 8.290 nan 0.000 0.514 394 D N 1.242 121.645 120.400 0.005 0.000 2.302 394 D HA 0.562 5.202 4.640 -0.000 0.000 0.248 394 D C 0.651 176.951 176.300 0.000 0.000 1.094 394 D CA 0.875 54.871 54.000 -0.006 0.000 0.897 394 D CB 1.618 42.400 40.800 -0.030 0.000 1.200 394 D HN 0.650 nan 8.370 nan 0.000 0.429 395 S N 0.676 116.383 115.700 0.011 0.000 2.568 395 S HA 0.752 5.221 4.470 -0.000 0.000 0.293 395 S C -0.595 174.032 174.600 0.045 0.000 1.089 395 S CA -0.937 57.273 58.200 0.016 0.000 0.945 395 S CB 1.166 64.360 63.200 -0.010 0.000 1.077 395 S HN 0.336 nan 8.310 nan 0.000 0.485 396 I N 2.064 122.668 120.570 0.057 0.000 2.410 396 I HA 0.382 4.552 4.170 -0.000 0.000 0.286 396 I C -0.452 175.715 176.117 0.083 0.000 1.009 396 I CA -0.398 60.957 61.300 0.092 0.000 1.111 396 I CB 2.072 40.123 38.000 0.086 0.000 1.262 396 I HN 0.577 nan 8.210 nan 0.000 0.443 397 S N 7.007 122.760 115.700 0.090 0.000 2.456 397 S HA 0.656 5.126 4.470 -0.000 0.000 0.316 397 S C -0.342 174.313 174.600 0.091 0.000 1.089 397 S CA -0.443 57.799 58.200 0.071 0.000 1.101 397 S CB 0.940 64.166 63.200 0.043 0.000 0.995 397 S HN 0.337 nan 8.310 nan 0.000 0.468 398 I N 3.268 123.888 120.570 0.083 0.000 2.433 398 I HA 0.551 4.721 4.170 -0.000 0.000 0.292 398 I C 0.280 176.436 176.117 0.065 0.000 1.001 398 I CA -0.321 61.032 61.300 0.088 0.000 1.119 398 I CB 2.100 40.155 38.000 0.091 0.000 1.289 398 I HN 0.623 nan 8.210 nan 0.000 0.438 399 T N -0.142 114.449 114.554 0.062 0.000 2.864 399 T HA 0.418 4.768 4.350 -0.000 0.000 0.299 399 T C -0.327 174.399 174.700 0.044 0.000 1.166 399 T CA -0.851 61.275 62.100 0.042 0.000 1.007 399 T CB 1.519 70.404 68.868 0.028 0.000 1.219 399 T HN 0.348 nan 8.240 nan 0.000 0.506 400 T N 2.516 117.088 114.554 0.030 0.000 2.870 400 T HA 0.387 4.737 4.350 -0.000 0.000 0.300 400 T C 0.700 175.411 174.700 0.018 0.000 0.989 400 T CA -0.067 62.049 62.100 0.028 0.000 1.139 400 T CB 0.760 69.638 68.868 0.016 0.000 0.920 400 T HN 0.831 nan 8.240 nan 0.000 0.537 401 S N 1.081 116.802 115.700 0.034 0.000 2.584 401 S HA 0.015 4.484 4.470 -0.000 0.000 0.270 401 S C 1.697 176.273 174.600 -0.040 0.000 1.346 401 S CA -0.563 57.653 58.200 0.026 0.000 1.018 401 S CB -0.036 63.221 63.200 0.094 0.000 0.899 401 S HN 0.962 nan 8.310 nan 0.000 0.542 402 C N 2.544 121.748 119.300 -0.161 0.000 2.697 402 C HA 0.479 4.939 4.460 -0.000 0.000 0.267 402 C C -0.012 174.779 174.990 -0.332 0.000 1.278 402 C CA -0.827 58.016 59.018 -0.291 0.000 1.708 402 C CB -1.941 25.542 27.740 -0.427 0.000 1.860 402 C HN 0.718 nan 8.230 nan 0.000 0.589 403 Y N 2.835 123.144 120.300 0.015 0.000 2.919 403 Y HA 0.507 5.057 4.550 -0.000 0.000 0.341 403 Y C -2.256 173.657 175.900 0.021 0.000 1.045 403 Y CA -3.282 54.827 58.100 0.016 0.000 1.218 403 Y CB 0.131 38.604 38.460 0.023 0.000 1.137 403 Y HN 0.214 nan 8.280 nan 0.000 0.577 404 P HA 0.151 nan 4.420 nan 0.000 0.276 404 P C -0.498 176.852 177.300 0.083 0.000 1.252 404 P CA -0.586 62.568 63.100 0.090 0.000 0.802 404 P CB 1.924 33.654 31.700 0.050 0.000 1.035 405 L N 3.134 124.400 121.223 0.071 0.000 2.278 405 L HA 0.352 4.692 4.340 -0.000 0.000 0.287 405 L C -2.206 174.690 176.870 0.044 0.000 1.072 405 L CA -2.165 52.710 54.840 0.058 0.000 0.819 405 L CB 0.768 42.871 42.059 0.073 0.000 1.176 405 L HN 0.197 nan 8.230 nan 0.000 0.435 406 P HA 0.104 nan 4.420 nan 0.000 0.280 406 P C -0.821 176.512 177.300 0.055 0.000 1.386 406 P CA -0.162 62.951 63.100 0.022 0.000 0.899 406 P CB 1.118 32.808 31.700 -0.017 0.000 1.098 407 S N 4.075 119.818 115.700 0.071 0.000 2.465 407 S HA 0.357 4.827 4.470 -0.000 0.000 0.279 407 S C 0.539 175.215 174.600 0.127 0.000 1.201 407 S CA -0.534 57.731 58.200 0.109 0.000 1.053 407 S CB -0.270 62.991 63.200 0.102 0.000 0.953 407 S HN 0.258 nan 8.310 nan 0.000 0.488 408 I N 3.622 124.313 120.570 0.203 0.000 2.575 408 I HA 0.151 4.321 4.170 -0.000 0.000 0.285 408 I C 0.318 176.587 176.117 0.253 0.000 1.085 408 I CA -0.388 61.069 61.300 0.261 0.000 1.403 408 I CB 0.505 38.720 38.000 0.359 0.000 1.409 408 I HN 0.486 nan 8.210 nan 0.000 0.557 409 C N 4.935 124.308 119.300 0.123 0.000 2.398 409 C HA 0.432 4.892 4.460 -0.000 0.000 0.364 409 C C 1.697 176.514 174.990 -0.289 0.000 1.219 409 C CA -0.475 58.499 59.018 -0.073 0.000 2.312 409 C CB 0.913 28.633 27.740 -0.034 0.000 2.428 409 C HN 0.784 nan 8.230 nan 0.000 0.564 410 V N 2.693 122.269 119.914 -0.565 0.000 2.379 410 V HA -0.004 4.116 4.120 -0.000 0.000 0.243 410 V C 2.229 178.199 176.094 -0.206 0.000 1.035 410 V CA 1.662 63.587 62.300 -0.624 0.000 1.035 410 V CB -0.262 31.192 31.823 -0.614 0.000 0.673 410 V HN 0.857 nan 8.190 nan 0.000 0.457 411 R N 0.291 120.708 120.500 -0.138 0.000 2.171 411 R HA 0.373 4.713 4.340 -0.000 0.000 0.171 411 R C -0.285 175.994 176.300 -0.035 0.000 1.662 411 R CA 0.971 57.037 56.100 -0.056 0.000 1.323 411 R CB -0.186 30.092 30.300 -0.037 0.000 1.180 411 R HN 0.799 nan 8.270 nan 0.000 0.474 412 D N -1.323 119.056 120.400 -0.036 0.000 2.615 412 D HA 0.248 4.888 4.640 -0.000 0.000 0.267 412 D C -2.506 173.783 176.300 -0.019 0.000 1.236 412 D CA -1.500 52.486 54.000 -0.023 0.000 0.839 412 D CB 2.009 42.798 40.800 -0.018 0.000 1.380 412 D HN -0.261 nan 8.370 nan 0.000 0.433 413 P HA -0.153 nan 4.420 nan 0.000 0.215 413 P C 1.686 179.037 177.300 0.085 0.000 1.157 413 P CA 2.255 65.380 63.100 0.041 0.000 0.874 413 P CB -0.139 31.591 31.700 0.051 0.000 0.790 414 V N -0.842 119.044 119.914 -0.048 0.000 2.244 414 V HA -0.265 3.855 4.120 -0.000 0.000 0.244 414 V C 2.438 178.253 176.094 -0.464 0.000 1.042 414 V CA 2.870 64.984 62.300 -0.311 0.000 1.006 414 V CB -1.567 29.991 31.823 -0.442 0.000 0.641 414 V HN 0.024 nan 8.190 nan 0.000 0.446 415 S N 0.425 116.003 115.700 -0.202 0.000 2.365 415 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 415 S C 1.898 176.505 174.600 0.012 0.000 1.039 415 S CA 1.819 59.996 58.200 -0.037 0.000 1.033 415 S CB -0.564 62.642 63.200 0.011 0.000 0.887 415 S HN 0.835 nan 8.310 nan 0.000 0.447 416 D N -0.080 120.316 120.400 -0.007 0.000 2.104 416 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 416 D C 1.392 177.717 176.300 0.042 0.000 0.994 416 D CA 0.865 54.859 54.000 -0.010 0.000 0.830 416 D CB -0.310 40.470 40.800 -0.033 0.000 0.959 416 D HN 0.539 nan 8.370 nan 0.000 0.452 417 W N 0.302 121.550 121.300 -0.087 0.000 2.381 417 W HA -0.143 4.517 4.660 -0.000 0.000 0.301 417 W C 1.821 178.436 176.519 0.161 0.000 1.205 417 W CA 0.964 58.303 57.345 -0.010 0.000 1.285 417 W CB -0.309 29.052 29.460 -0.166 0.000 1.133 417 W HN -0.153 nan 8.180 nan 0.000 0.521 418 F N 0.928 121.038 119.950 0.266 0.000 2.134 418 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 418 F C 2.707 178.459 175.800 -0.080 0.000 1.097 418 F CA 1.978 60.046 58.000 0.113 0.000 1.264 418 F CB -1.665 37.433 39.000 0.163 0.000 1.001 418 F HN 0.143 nan 8.300 nan 0.000 0.479 419 E N -0.185 120.073 120.200 0.096 0.000 2.077 419 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 419 E C 2.325 178.795 176.600 -0.216 0.000 0.989 419 E CA 1.609 57.979 56.400 -0.049 0.000 0.800 419 E CB -1.129 28.540 29.700 -0.052 0.000 0.746 419 E HN 0.363 nan 8.360 nan 0.000 0.452 420 S N -0.141 115.337 115.700 -0.370 0.000 2.383 420 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 420 S C 2.024 176.104 174.600 -0.867 0.000 1.026 420 S CA 1.084 58.833 58.200 -0.752 0.000 0.981 420 S CB -0.200 62.350 63.200 -1.085 0.000 0.818 420 S HN 0.435 nan 8.310 nan 0.000 0.472 421 L N 1.812 122.667 121.223 -0.615 0.000 2.044 421 L HA 0.099 4.439 4.340 -0.000 0.000 0.205 421 L C 2.366 179.110 176.870 -0.210 0.000 1.075 421 L CA 1.703 56.322 54.840 -0.368 0.000 0.747 421 L CB -0.947 40.881 42.059 -0.384 0.000 0.903 421 L HN 0.237 nan 8.230 nan 0.000 0.435 422 A N -1.025 121.695 122.820 -0.167 0.000 1.902 422 A HA -0.240 4.079 4.320 -0.000 0.000 0.217 422 A C 2.343 179.855 177.584 -0.120 0.000 1.181 422 A CA 2.319 54.290 52.037 -0.110 0.000 0.623 422 A CB -1.097 17.858 19.000 -0.074 0.000 0.818 422 A HN 0.557 nan 8.150 nan 0.000 0.443 423 Q N -1.446 118.250 119.800 -0.173 0.000 2.123 423 Q HA -0.174 4.165 4.340 -0.000 0.000 0.199 423 Q C 2.489 178.402 176.000 -0.144 0.000 0.966 423 Q CA 1.738 57.444 55.803 -0.161 0.000 0.845 423 Q CB -1.856 26.756 28.738 -0.210 0.000 0.907 423 Q HN 0.844 nan 8.270 nan 0.000 0.439 424 C N -0.178 119.015 119.300 -0.178 0.000 2.429 424 C HA 0.034 4.494 4.460 -0.000 0.000 0.277 424 C C 2.390 177.358 174.990 -0.037 0.000 1.262 424 C CA 1.171 60.138 59.018 -0.087 0.000 1.733 424 C CB -0.915 26.812 27.740 -0.022 0.000 2.010 424 C HN 0.736 nan 8.230 nan 0.000 0.483 425 L N -0.225 120.969 121.223 -0.048 0.000 2.591 425 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 425 L C 2.712 179.563 176.870 -0.032 0.000 1.133 425 L CA 1.003 55.825 54.840 -0.030 0.000 0.880 425 L CB -0.987 41.054 42.059 -0.030 0.000 1.033 425 L HN 0.703 nan 8.230 nan 0.000 0.450 426 H N -1.498 117.546 119.070 -0.043 0.000 2.399 426 H HA 0.147 4.703 4.556 -0.000 0.000 0.300 426 H C 1.574 176.885 175.328 -0.027 0.000 1.048 426 H CA 0.806 56.833 56.048 -0.035 0.000 1.370 426 H CB -0.816 28.920 29.762 -0.043 0.000 1.428 426 H HN 0.566 nan 8.280 nan 0.000 0.534 427 H N 0.000 119.053 119.070 -0.029 0.000 2.539 427 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 427 H CA 0.000 56.037 56.048 -0.019 0.000 1.023 427 H CB 0.000 29.750 29.762 -0.020 0.000 1.292 427 H HN 0.000 nan 8.280 nan 0.000 0.496