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 1w21_1_A DATA FIRST_RESID 88 DATA SEQUENCE RTFLNLTKPL cEVNSWHILS KDNAIRIGED AHILVTREPY LScDPQGcRM DATA SEQUENCE FALSQGTTLR GRHANGTIHD RSPFRALISW EMGQAPSPYN TRVEcIGWSS DATA SEQUENCE TScHDGMSRM SIcMSGPNNN ASAVVWYGGR PITEIPSWAG NILRTQESEc DATA SEQUENCE VcHKGVcPVV MTDGPANNRA ATKIIYFKEG KIQKIEELAG NAQHIEEcSc DATA SEQUENCE YGAGGVIKcI cRDNWKGANR PVITIDPEMM THTSKYLcSK VLTDTSRPND DATA SEQUENCE PTNGNcDAPI TGGSPDPGVK GFAFLDGENS WLGRTISKDS RSGYEMLKVP DATA SEQUENCE NAETDIQSGP ISNQVIVNNQ NWSGYSGAFI DYWANKEcFN PcFYVELIRG DATA SEQUENCE RPKESSVLWT SNSIVALcGS KKRLGSWSWH DGAEIIYFE 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 88 R HA 0.000 nan 4.340 nan 0.000 0.208 88 R C 0.000 176.308 176.300 0.014 0.000 0.893 88 R CA 0.000 56.122 56.100 0.037 0.000 0.921 88 R CB 0.000 30.310 30.300 0.017 0.000 0.687 89 T N -1.090 113.503 114.554 0.065 0.000 2.838 89 T HA 0.557 4.907 4.350 -0.000 0.000 0.292 89 T C -0.134 174.647 174.700 0.135 0.000 1.113 89 T CA -0.793 61.318 62.100 0.020 0.000 1.008 89 T CB 1.022 69.937 68.868 0.077 0.000 1.259 89 T HN 0.245 nan 8.240 nan 0.000 0.520 90 F N 1.130 121.165 119.950 0.142 0.000 2.538 90 F HA 0.294 4.821 4.527 -0.000 0.000 0.371 90 F C 0.865 176.749 175.800 0.140 0.000 1.087 90 F CA -1.141 56.945 58.000 0.143 0.000 1.250 90 F CB 0.587 39.628 39.000 0.069 0.000 1.110 90 F HN 0.443 nan 8.300 nan 0.000 0.570 91 L N 5.267 126.742 121.223 0.420 0.000 2.456 91 L HA 0.157 4.496 4.340 -0.000 0.000 0.272 91 L C -0.357 176.553 176.870 0.068 0.000 1.189 91 L CA 0.001 54.967 54.840 0.209 0.000 0.846 91 L CB 0.470 42.598 42.059 0.115 0.000 1.111 91 L HN 0.734 nan 8.230 nan 0.000 0.475 92 N N 3.008 121.740 118.700 0.052 0.000 2.380 92 N HA 0.443 5.183 4.740 -0.000 0.000 0.290 92 N C -0.985 174.706 175.510 0.301 0.000 1.236 92 N CA -0.855 52.234 53.050 0.065 0.000 0.780 92 N CB 1.001 39.436 38.487 -0.087 0.000 1.438 92 N HN 0.559 nan 8.380 nan 0.000 0.491 93 L N 0.496 122.044 121.223 0.542 0.000 3.036 93 L HA 0.263 4.603 4.340 -0.000 0.000 0.237 93 L C 1.183 178.323 176.870 0.449 0.000 1.319 93 L CA -0.219 54.912 54.840 0.484 0.000 1.112 93 L CB -0.605 41.589 42.059 0.225 0.000 1.480 93 L HN 0.882 nan 8.230 nan 0.000 0.506 94 T N -3.706 111.042 114.554 0.325 0.000 2.942 94 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 94 T C 1.024 175.734 174.700 0.017 0.000 1.062 94 T CA 0.197 62.389 62.100 0.154 0.000 1.139 94 T CB -0.067 68.873 68.868 0.119 0.000 0.883 94 T HN 0.225 nan 8.240 nan 0.000 0.468 95 K N 3.090 123.377 120.400 -0.188 0.000 2.518 95 K HA 0.159 4.479 4.320 -0.000 0.000 0.276 95 K C -2.363 174.035 176.600 -0.336 0.000 0.974 95 K CA -1.191 54.798 56.287 -0.497 0.000 0.986 95 K CB 0.022 31.788 32.500 -1.222 0.000 0.901 95 K HN 0.298 nan 8.250 nan 0.000 0.497 96 P HA 0.140 nan 4.420 nan 0.000 0.278 96 P C -0.282 177.007 177.300 -0.019 0.000 1.258 96 P CA -0.464 62.608 63.100 -0.046 0.000 0.811 96 P CB 0.646 32.330 31.700 -0.028 0.000 1.063 97 L N 0.710 122.000 121.223 0.113 0.000 2.456 97 L HA 0.083 4.422 4.340 -0.000 0.000 0.272 97 L C 0.733 177.613 176.870 0.016 0.000 1.189 97 L CA -0.208 54.700 54.840 0.113 0.000 0.846 97 L CB 0.139 42.293 42.059 0.158 0.000 1.111 97 L HN 0.433 nan 8.230 nan 0.000 0.475 98 c N 2.384 120.965 118.600 -0.033 0.000 2.676 98 c HA 0.040 4.610 4.570 -0.000 0.000 0.416 98 c C 0.875 174.923 174.090 -0.069 0.000 1.299 98 c CA -0.634 55.655 56.329 -0.068 0.000 2.048 98 c CB 0.062 42.511 42.510 -0.102 0.000 2.713 98 c HN 0.726 nan 8.230 nan 0.000 0.624 99 E N 0.962 121.131 120.200 -0.052 0.000 2.414 99 E HA 0.306 4.656 4.350 -0.000 0.000 0.263 99 E C -1.186 175.358 176.600 -0.094 0.000 1.000 99 E CA 0.030 56.412 56.400 -0.031 0.000 0.914 99 E CB 0.535 30.226 29.700 -0.016 0.000 0.948 99 E HN 0.522 nan 8.360 nan 0.000 0.444 100 V N 5.388 125.271 119.914 -0.052 0.000 2.577 100 V HA 0.213 4.333 4.120 -0.000 0.000 0.303 100 V C 0.130 176.244 176.094 0.033 0.000 1.042 100 V CA -0.822 61.328 62.300 -0.250 0.000 0.872 100 V CB 1.654 33.057 31.823 -0.700 0.000 0.998 100 V HN 0.750 nan 8.190 nan 0.000 0.423 101 N N 1.715 120.363 118.700 -0.087 0.000 2.317 101 N HA 0.143 4.883 4.740 -0.000 0.000 0.199 101 N C 0.447 176.021 175.510 0.105 0.000 1.145 101 N CA 0.619 53.760 53.050 0.151 0.000 0.882 101 N CB 1.317 39.848 38.487 0.074 0.000 1.113 101 N HN 0.798 nan 8.380 nan 0.000 0.486 102 S N -1.145 114.384 115.700 -0.285 0.000 2.672 102 S HA 0.628 5.098 4.470 -0.000 0.000 0.271 102 S C -2.120 172.080 174.600 -0.667 0.000 1.171 102 S CA -0.910 57.118 58.200 -0.286 0.000 0.817 102 S CB 1.227 64.433 63.200 0.011 0.000 1.150 102 S HN 0.135 nan 8.310 nan 0.000 0.478 103 W N 1.238 122.499 121.300 -0.065 0.000 2.600 103 W HA 0.615 5.274 4.660 -0.000 0.000 0.325 103 W C -0.005 176.535 176.519 0.034 0.000 1.034 103 W CA -0.320 56.985 57.345 -0.068 0.000 1.226 103 W CB 1.133 30.599 29.460 0.010 0.000 1.379 103 W HN 1.009 nan 8.180 nan 0.000 0.466 104 H N 0.656 119.801 119.070 0.125 0.000 2.525 104 H HA 0.654 5.210 4.556 -0.000 0.000 0.340 104 H C -0.652 174.687 175.328 0.019 0.000 1.168 104 H CA -1.225 54.874 56.048 0.085 0.000 1.247 104 H CB 1.283 31.054 29.762 0.014 0.000 1.568 104 H HN 0.377 nan 8.280 nan 0.000 0.536 105 I N 3.279 123.896 120.570 0.079 0.000 2.471 105 I HA 0.036 4.205 4.170 -0.000 0.000 0.286 105 I C 0.146 176.178 176.117 -0.143 0.000 1.079 105 I CA -0.239 60.912 61.300 -0.248 0.000 1.398 105 I CB 0.376 38.129 38.000 -0.412 0.000 1.403 105 I HN 0.813 nan 8.210 nan 0.000 0.530 106 L N 5.902 126.956 121.223 -0.283 0.000 2.349 106 L HA 0.451 4.791 4.340 -0.000 0.000 0.200 106 L C 0.511 177.316 176.870 -0.109 0.000 1.064 106 L CA 0.885 55.652 54.840 -0.122 0.000 0.821 106 L CB -0.022 41.962 42.059 -0.125 0.000 1.027 106 L HN 0.672 nan 8.230 nan 0.000 0.476 107 S N -0.965 114.619 115.700 -0.192 0.000 2.567 107 S HA 0.545 5.015 4.470 -0.000 0.000 0.270 107 S C -1.547 172.941 174.600 -0.186 0.000 1.152 107 S CA -0.799 57.314 58.200 -0.145 0.000 0.835 107 S CB 1.042 64.185 63.200 -0.095 0.000 1.115 107 S HN 0.161 nan 8.310 nan 0.000 0.459 108 K N 1.393 121.730 120.400 -0.105 0.000 2.561 108 K HA 0.326 4.645 4.320 -0.000 0.000 0.254 108 K C -1.065 175.547 176.600 0.019 0.000 0.942 108 K CA -0.463 55.792 56.287 -0.055 0.000 0.818 108 K CB 1.092 33.560 32.500 -0.053 0.000 1.306 108 K HN 0.682 nan 8.250 nan 0.000 0.435 109 D N 2.581 123.015 120.400 0.056 0.000 2.407 109 D HA -0.019 4.620 4.640 -0.000 0.000 0.208 109 D C -0.282 176.060 176.300 0.070 0.000 1.083 109 D CA 0.041 54.093 54.000 0.086 0.000 0.844 109 D CB 0.057 40.955 40.800 0.163 0.000 0.967 109 D HN 0.647 nan 8.370 nan 0.000 0.506 110 N N 0.469 119.214 118.700 0.074 0.000 2.710 110 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 110 N C 1.021 176.568 175.510 0.063 0.000 1.059 110 N CA 0.748 53.843 53.050 0.075 0.000 0.720 110 N CB -1.104 37.426 38.487 0.072 0.000 0.983 110 N HN 0.476 nan 8.380 nan 0.000 0.544 111 A N 0.137 122.987 122.820 0.049 0.000 1.930 111 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 111 A C 2.186 179.777 177.584 0.011 0.000 1.175 111 A CA 0.999 53.035 52.037 -0.001 0.000 0.627 111 A CB -0.009 18.968 19.000 -0.039 0.000 0.815 111 A HN 0.336 nan 8.150 nan 0.000 0.443 112 I N -0.498 120.108 120.570 0.060 0.000 2.286 112 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 112 I C 2.493 178.755 176.117 0.241 0.000 1.104 112 I CA 1.107 62.471 61.300 0.106 0.000 1.397 112 I CB -1.368 36.708 38.000 0.128 0.000 1.072 112 I HN 0.342 nan 8.210 nan 0.000 0.417 113 R N 0.838 121.457 120.500 0.198 0.000 2.083 113 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 113 R C 2.368 178.741 176.300 0.121 0.000 1.137 113 R CA 1.496 57.711 56.100 0.192 0.000 0.951 113 R CB -0.332 30.053 30.300 0.141 0.000 0.851 113 R HN 0.301 nan 8.270 nan 0.000 0.434 114 I N -0.371 120.243 120.570 0.072 0.000 2.233 114 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 114 I C 2.391 178.512 176.117 0.007 0.000 1.093 114 I CA 1.358 62.670 61.300 0.020 0.000 1.380 114 I CB -0.519 37.479 38.000 -0.003 0.000 1.067 114 I HN 0.313 nan 8.210 nan 0.000 0.413 115 G N 0.048 108.860 108.800 0.020 0.000 2.625 115 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.214 115 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.214 115 G C 1.504 176.451 174.900 0.079 0.000 1.132 115 G CA 0.167 45.270 45.100 0.004 0.000 0.782 115 G HN 0.319 nan 8.290 nan 0.000 0.538 116 E N 0.733 121.004 120.200 0.118 0.000 2.204 116 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 116 E C 1.478 177.999 176.600 -0.132 0.000 0.990 116 E CA 1.512 57.853 56.400 -0.098 0.000 0.821 116 E CB 0.103 29.602 29.700 -0.336 0.000 0.750 116 E HN 0.554 nan 8.360 nan 0.000 0.477 117 D N -1.574 118.777 120.400 -0.082 0.000 2.399 117 D HA 0.201 4.841 4.640 -0.000 0.000 0.269 117 D C 0.067 176.308 176.300 -0.098 0.000 1.105 117 D CA 0.422 54.366 54.000 -0.094 0.000 0.844 117 D CB 0.576 41.307 40.800 -0.115 0.000 1.372 117 D HN 0.155 nan 8.370 nan 0.000 0.517 118 A N -0.298 122.464 122.820 -0.097 0.000 2.239 118 A HA 0.500 4.820 4.320 -0.000 0.000 0.303 118 A C -0.733 176.801 177.584 -0.083 0.000 1.114 118 A CA -0.434 51.508 52.037 -0.159 0.000 0.871 118 A CB 0.207 19.140 19.000 -0.112 0.000 1.201 118 A HN 0.412 nan 8.150 nan 0.000 0.506 119 H N 0.281 119.322 119.070 -0.048 0.000 2.908 119 H HA 0.327 4.883 4.556 -0.000 0.000 0.269 119 H C -0.816 174.380 175.328 -0.220 0.000 1.303 119 H CA -0.430 55.546 56.048 -0.119 0.000 1.341 119 H CB 0.070 29.767 29.762 -0.108 0.000 1.519 119 H HN 0.226 nan 8.280 nan 0.000 0.505 120 I N 3.933 124.446 120.570 -0.095 0.000 2.433 120 I HA 0.132 4.302 4.170 -0.000 0.000 0.292 120 I C 0.297 176.275 176.117 -0.233 0.000 1.001 120 I CA -0.774 60.405 61.300 -0.201 0.000 1.119 120 I CB 1.735 39.629 38.000 -0.177 0.000 1.289 120 I HN 0.470 nan 8.210 nan 0.000 0.438 121 L N 5.229 126.276 121.223 -0.293 0.000 2.456 121 L HA 0.167 4.507 4.340 -0.000 0.000 0.272 121 L C 0.133 176.867 176.870 -0.228 0.000 1.189 121 L CA -0.363 54.322 54.840 -0.258 0.000 0.846 121 L CB 0.643 42.531 42.059 -0.284 0.000 1.111 121 L HN 0.232 nan 8.230 nan 0.000 0.475 122 V N 2.484 122.291 119.914 -0.178 0.000 2.572 122 V HA 0.227 4.347 4.120 -0.000 0.000 0.291 122 V C 0.640 176.681 176.094 -0.088 0.000 1.039 122 V CA 0.050 62.263 62.300 -0.145 0.000 1.055 122 V CB 0.901 32.664 31.823 -0.099 0.000 0.969 122 V HN 1.020 nan 8.190 nan 0.000 0.482 123 T N 3.625 118.142 114.554 -0.062 0.000 2.669 123 T HA 0.843 5.192 4.350 -0.000 0.000 0.283 123 T C -0.489 174.223 174.700 0.019 0.000 1.019 123 T CA -0.981 61.113 62.100 -0.010 0.000 1.039 123 T CB 2.591 71.460 68.868 0.001 0.000 1.374 123 T HN 0.583 nan 8.240 nan 0.000 0.523 124 R N -0.908 119.614 120.500 0.038 0.000 2.832 124 R HA 0.346 4.685 4.340 -0.000 0.000 0.283 124 R C -1.388 174.939 176.300 0.045 0.000 0.998 124 R CA -0.756 55.354 56.100 0.017 0.000 0.843 124 R CB 0.680 30.960 30.300 -0.033 0.000 1.332 124 R HN 0.877 nan 8.270 nan 0.000 0.490 125 E N 0.088 120.290 120.200 0.004 0.000 2.228 125 E HA -0.159 4.191 4.350 -0.000 0.000 0.213 125 E C -2.489 174.248 176.600 0.229 0.000 1.282 125 E CA 0.696 57.181 56.400 0.142 0.000 0.707 125 E CB -1.096 28.711 29.700 0.180 0.000 1.150 125 E HN 0.233 nan 8.360 nan 0.000 0.362 126 P HA 0.345 nan 4.420 nan 0.000 0.278 126 P C -0.534 176.628 177.300 -0.230 0.000 1.266 126 P CA -0.218 62.873 63.100 -0.016 0.000 0.807 126 P CB 0.743 32.415 31.700 -0.047 0.000 1.094 127 Y N -2.557 117.337 120.300 -0.678 0.000 2.925 127 Y HA 0.603 5.153 4.550 -0.000 0.000 0.349 127 Y C -1.996 173.472 175.900 -0.719 0.000 1.342 127 Y CA -1.312 56.098 58.100 -1.149 0.000 1.093 127 Y CB 0.270 38.338 38.460 -0.653 0.000 1.571 127 Y HN 0.109 nan 8.280 nan 0.000 0.438 128 L N 1.607 122.497 121.223 -0.555 0.000 2.354 128 L HA 0.823 5.163 4.340 -0.000 0.000 0.264 128 L C -0.668 175.925 176.870 -0.461 0.000 1.008 128 L CA -1.017 53.398 54.840 -0.708 0.000 0.819 128 L CB 1.988 43.222 42.059 -1.375 0.000 1.339 128 L HN 0.816 nan 8.230 nan 0.000 0.420 129 S N -0.006 115.538 115.700 -0.259 0.000 2.533 129 S HA 0.666 5.136 4.470 -0.000 0.000 0.271 129 S C -0.926 173.735 174.600 0.102 0.000 1.143 129 S CA -0.378 57.792 58.200 -0.050 0.000 0.891 129 S CB 1.432 64.458 63.200 -0.290 0.000 1.105 129 S HN 0.681 nan 8.310 nan 0.000 0.468 130 c N 2.501 121.254 118.600 0.255 0.000 2.531 130 c HA 0.978 5.548 4.570 -0.000 0.000 0.369 130 c C -0.469 173.641 174.090 0.033 0.000 1.258 130 c CA -0.437 56.027 56.329 0.225 0.000 1.876 130 c CB 1.115 43.863 42.510 0.397 0.000 2.256 130 c HN 1.037 nan 8.230 nan 0.000 0.510 131 D N -1.616 118.538 120.400 -0.410 0.000 2.768 131 D HA 0.337 4.977 4.640 -0.000 0.000 0.327 131 D C -2.717 172.805 176.300 -1.296 0.000 1.302 131 D CA -1.063 52.098 54.000 -1.398 0.000 0.897 131 D CB -0.170 39.938 40.800 -1.155 0.000 1.420 131 D HN 0.092 nan 8.370 nan 0.000 0.494 132 P HA -0.123 nan 4.420 nan 0.000 0.218 132 P C 0.935 178.050 177.300 -0.308 0.000 1.146 132 P CA 1.655 64.309 63.100 -0.745 0.000 0.813 132 P CB 0.233 31.605 31.700 -0.548 0.000 0.778 133 Q N -1.494 118.117 119.800 -0.314 0.000 2.302 133 Q HA 0.305 4.645 4.340 -0.000 0.000 0.202 133 Q C 1.269 177.209 176.000 -0.101 0.000 0.936 133 Q CA 0.995 56.700 55.803 -0.163 0.000 0.886 133 Q CB -0.009 28.637 28.738 -0.153 0.000 0.986 133 Q HN 0.251 nan 8.270 nan 0.000 0.487 134 G N -2.036 106.699 108.800 -0.107 0.000 2.398 134 G HA2 0.206 4.166 3.960 -0.000 0.000 0.251 134 G HA3 0.206 4.166 3.960 -0.000 0.000 0.251 134 G C -1.466 173.423 174.900 -0.019 0.000 1.277 134 G CA -0.456 44.625 45.100 -0.032 0.000 0.927 134 G HN 0.077 nan 8.290 nan 0.000 0.477 135 c N -0.241 118.351 118.600 -0.014 0.000 2.707 135 c HA 0.961 5.530 4.570 -0.000 0.000 0.313 135 c C 0.257 174.283 174.090 -0.107 0.000 1.209 135 c CA -0.633 55.684 56.329 -0.020 0.000 1.635 135 c CB 1.557 44.082 42.510 0.024 0.000 2.206 135 c HN 0.818 nan 8.230 nan 0.000 0.485 136 R N 0.810 121.232 120.500 -0.130 0.000 2.854 136 R HA 0.699 5.039 4.340 -0.000 0.000 0.271 136 R C -1.085 174.936 176.300 -0.465 0.000 0.994 136 R CA -0.627 55.288 56.100 -0.308 0.000 0.945 136 R CB 1.562 31.661 30.300 -0.336 0.000 1.194 136 R HN 0.628 nan 8.270 nan 0.000 0.476 137 M N 1.724 120.765 119.600 -0.931 0.000 2.318 137 M HA 0.428 4.908 4.480 -0.000 0.000 0.347 137 M C -1.124 174.202 176.300 -1.624 0.000 1.175 137 M CA -0.123 54.438 55.300 -1.233 0.000 1.075 137 M CB 0.905 32.540 32.600 -1.607 0.000 1.614 137 M HN 0.315 nan 8.290 nan 0.000 0.456 138 F N 0.906 120.068 119.950 -1.312 0.000 2.577 138 F HA 0.888 5.415 4.527 -0.000 0.000 0.318 138 F C -0.020 175.330 175.800 -0.750 0.000 1.065 138 F CA -0.649 56.702 58.000 -1.081 0.000 0.929 138 F CB 2.093 40.144 39.000 -1.582 0.000 1.237 138 F HN 0.655 nan 8.300 nan 0.000 0.468 139 A N 1.187 123.946 122.820 -0.102 0.000 2.544 139 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 139 A C -2.189 175.468 177.584 0.122 0.000 1.055 139 A CA -0.829 51.257 52.037 0.081 0.000 0.651 139 A CB 0.974 20.110 19.000 0.225 0.000 1.296 139 A HN 0.659 nan 8.150 nan 0.000 0.431 140 L N 1.987 123.285 121.223 0.125 0.000 2.268 140 L HA 0.434 4.773 4.340 -0.000 0.000 0.289 140 L C 0.950 177.862 176.870 0.070 0.000 1.064 140 L CA -0.320 54.581 54.840 0.102 0.000 0.824 140 L CB 1.232 43.367 42.059 0.127 0.000 1.202 140 L HN 0.743 nan 8.230 nan 0.000 0.433 141 S N 1.910 117.634 115.700 0.040 0.000 2.584 141 S HA 0.056 4.525 4.470 -0.000 0.000 0.270 141 S C 0.859 175.482 174.600 0.038 0.000 1.346 141 S CA -0.280 57.922 58.200 0.004 0.000 1.018 141 S CB 0.785 63.965 63.200 -0.034 0.000 0.899 141 S HN 0.625 nan 8.310 nan 0.000 0.542 142 Q N 1.697 121.515 119.800 0.031 0.000 2.247 142 Q HA 0.183 4.523 4.340 -0.000 0.000 0.204 142 Q C 1.081 177.135 176.000 0.091 0.000 0.872 142 Q CA 0.564 56.416 55.803 0.082 0.000 0.951 142 Q CB 0.432 29.218 28.738 0.080 0.000 1.099 142 Q HN 1.144 nan 8.270 nan 0.000 0.501 143 G N 1.985 110.803 108.800 0.029 0.000 2.272 143 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 143 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 143 G C -0.000 174.856 174.900 -0.072 0.000 1.067 143 G CA 1.005 46.102 45.100 -0.004 0.000 0.902 143 G HN 0.345 nan 8.290 nan 0.000 0.500 144 T N -1.233 113.273 114.554 -0.080 0.000 2.907 144 T HA 0.639 4.988 4.350 -0.000 0.000 0.344 144 T C 0.272 174.907 174.700 -0.109 0.000 1.675 144 T CA 0.798 62.847 62.100 -0.084 0.000 1.076 144 T CB 0.902 69.767 68.868 -0.006 0.000 1.483 144 T HN 1.333 nan 8.240 nan 0.000 0.487 145 T N 2.109 116.593 114.554 -0.118 0.000 2.849 145 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 145 T C 1.476 176.082 174.700 -0.157 0.000 1.004 145 T CA -0.671 61.341 62.100 -0.147 0.000 1.021 145 T CB 0.891 69.679 68.868 -0.133 0.000 1.013 145 T HN 0.476 nan 8.240 nan 0.000 0.527 146 L N 0.471 121.563 121.223 -0.218 0.000 2.046 146 L HA 0.051 4.390 4.340 -0.000 0.000 0.208 146 L C 2.528 179.218 176.870 -0.298 0.000 1.077 146 L CA 1.647 56.254 54.840 -0.389 0.000 0.747 146 L CB -0.662 41.133 42.059 -0.439 0.000 0.896 146 L HN 0.540 nan 8.230 nan 0.000 0.432 147 R N 0.283 120.722 120.500 -0.101 0.000 2.276 147 R HA 0.191 4.531 4.340 -0.000 0.000 0.203 147 R C 0.857 177.161 176.300 0.007 0.000 1.017 147 R CA 0.537 56.640 56.100 0.005 0.000 1.010 147 R CB -1.081 29.247 30.300 0.046 0.000 0.900 147 R HN 0.449 nan 8.270 nan 0.000 0.469 148 G N 0.062 108.847 108.800 -0.024 0.000 2.594 148 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.243 148 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.243 148 G C 0.606 175.508 174.900 0.003 0.000 1.229 148 G CA -0.477 44.620 45.100 -0.005 0.000 0.843 148 G HN 0.183 nan 8.290 nan 0.000 0.578 149 R N -0.514 119.963 120.500 -0.040 0.000 2.193 149 R HA -0.062 4.277 4.340 -0.000 0.000 0.229 149 R C 1.702 177.910 176.300 -0.155 0.000 1.110 149 R CA 0.964 57.000 56.100 -0.106 0.000 0.988 149 R CB -0.093 30.096 30.300 -0.186 0.000 0.871 149 R HN 0.655 nan 8.270 nan 0.000 0.458 150 H N -0.226 118.829 119.070 -0.025 0.000 2.559 150 H HA 0.097 4.653 4.556 -0.000 0.000 0.273 150 H C 1.878 177.209 175.328 0.006 0.000 1.000 150 H CA 0.789 56.819 56.048 -0.029 0.000 1.195 150 H CB 0.177 29.893 29.762 -0.077 0.000 1.368 150 H HN 0.266 nan 8.280 nan 0.000 0.592 151 A N 1.709 124.586 122.820 0.097 0.000 2.024 151 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 151 A C 1.459 179.150 177.584 0.178 0.000 1.164 151 A CA 0.676 52.773 52.037 0.100 0.000 0.643 151 A CB -0.641 18.369 19.000 0.016 0.000 0.806 151 A HN 0.347 nan 8.150 nan 0.000 0.451 152 N N -0.159 118.626 118.700 0.141 0.000 2.452 152 N HA 0.340 5.080 4.740 -0.000 0.000 0.266 152 N C 0.811 176.378 175.510 0.095 0.000 1.209 152 N CA 1.379 54.501 53.050 0.121 0.000 0.929 152 N CB 0.235 38.762 38.487 0.066 0.000 1.063 152 N HN 0.723 nan 8.380 nan 0.000 0.472 153 G N 2.014 110.868 108.800 0.090 0.000 2.176 153 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.232 153 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.232 153 G C 0.710 175.681 174.900 0.118 0.000 0.986 153 G CA 0.462 45.608 45.100 0.076 0.000 0.643 153 G HN 0.856 nan 8.290 nan 0.000 0.522 154 T N -0.927 113.711 114.554 0.141 0.000 3.160 154 T HA 0.273 4.623 4.350 -0.000 0.000 0.257 154 T C 2.144 176.916 174.700 0.119 0.000 1.147 154 T CA 1.001 63.190 62.100 0.148 0.000 1.064 154 T CB 0.169 69.127 68.868 0.150 0.000 0.949 154 T HN 0.625 nan 8.240 nan 0.000 0.526 155 I N 1.476 122.102 120.570 0.093 0.000 2.454 155 I HA -0.023 4.147 4.170 -0.000 0.000 0.254 155 I C 0.903 177.056 176.117 0.060 0.000 1.156 155 I CA 0.507 61.836 61.300 0.049 0.000 1.433 155 I CB -0.635 37.374 38.000 0.016 0.000 1.082 155 I HN 0.355 nan 8.210 nan 0.000 0.432 156 H N 1.117 120.186 119.070 -0.001 0.000 3.004 156 H HA 0.006 4.562 4.556 -0.000 0.000 0.316 156 H C 1.062 176.374 175.328 -0.026 0.000 1.014 156 H CA 0.588 56.624 56.048 -0.020 0.000 1.454 156 H CB 0.373 30.131 29.762 -0.007 0.000 1.472 156 H HN 0.232 nan 8.280 nan 0.000 0.571 157 D N 4.272 124.435 120.400 -0.395 0.000 2.194 157 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 157 D C 0.120 176.262 176.300 -0.264 0.000 0.964 157 D CA 1.112 54.952 54.000 -0.266 0.000 0.846 157 D CB 0.347 40.982 40.800 -0.275 0.000 0.962 157 D HN 0.516 nan 8.370 nan 0.000 0.490 158 R N -0.282 119.933 120.500 -0.475 0.000 2.575 158 R HA 0.544 4.883 4.340 -0.000 0.000 0.293 158 R C -0.638 175.575 176.300 -0.145 0.000 0.983 158 R CA -0.470 55.362 56.100 -0.447 0.000 0.887 158 R CB 2.435 32.073 30.300 -1.102 0.000 1.184 158 R HN -0.022 nan 8.270 nan 0.000 0.445 159 S N 0.917 116.610 115.700 -0.010 0.000 2.587 159 S HA 0.383 4.853 4.470 -0.000 0.000 0.269 159 S C -2.669 171.787 174.600 -0.239 0.000 1.154 159 S CA -1.188 56.913 58.200 -0.164 0.000 0.824 159 S CB 2.060 65.156 63.200 -0.172 0.000 1.118 159 S HN 0.293 nan 8.310 nan 0.000 0.462 160 P HA 0.253 nan 4.420 nan 0.000 0.242 160 P C 0.032 177.094 177.300 -0.398 0.000 1.197 160 P CA 0.520 63.335 63.100 -0.476 0.000 0.765 160 P CB -0.413 31.006 31.700 -0.469 0.000 0.936 161 F N -1.493 118.509 119.950 0.087 0.000 2.653 161 F HA 0.263 4.790 4.527 -0.000 0.000 0.304 161 F C 1.266 177.088 175.800 0.037 0.000 1.092 161 F CA -0.709 57.313 58.000 0.037 0.000 1.279 161 F CB 0.175 39.180 39.000 0.009 0.000 1.044 161 F HN -0.310 nan 8.300 nan 0.000 0.564 162 R N 1.455 122.028 120.500 0.121 0.000 2.573 162 R HA 0.843 5.183 4.340 -0.000 0.000 0.272 162 R C -0.541 175.792 176.300 0.055 0.000 1.009 162 R CA -0.606 55.559 56.100 0.109 0.000 1.059 162 R CB 1.485 31.874 30.300 0.149 0.000 1.112 162 R HN 0.115 nan 8.270 nan 0.000 0.517 163 A N 1.341 124.179 122.820 0.031 0.000 2.605 163 A HA 0.338 4.658 4.320 -0.000 0.000 0.294 163 A C -1.727 175.849 177.584 -0.014 0.000 1.062 163 A CA -0.781 51.244 52.037 -0.019 0.000 0.682 163 A CB 1.320 20.295 19.000 -0.041 0.000 1.278 163 A HN 0.546 nan 8.150 nan 0.000 0.410 164 L N 2.730 123.928 121.223 -0.042 0.000 2.319 164 L HA 0.734 5.074 4.340 -0.000 0.000 0.280 164 L C -0.334 176.506 176.870 -0.051 0.000 1.099 164 L CA 0.141 54.978 54.840 -0.005 0.000 0.828 164 L CB 0.102 42.173 42.059 0.021 0.000 1.150 164 L HN 0.578 nan 8.230 nan 0.000 0.442 165 I N 2.074 122.630 120.570 -0.022 0.000 2.740 165 I HA 0.862 5.031 4.170 -0.000 0.000 0.303 165 I C -0.383 175.640 176.117 -0.157 0.000 1.044 165 I CA -0.575 60.693 61.300 -0.052 0.000 1.064 165 I CB 2.157 40.166 38.000 0.014 0.000 1.249 165 I HN 0.649 nan 8.210 nan 0.000 0.433 166 S N 2.624 118.136 115.700 -0.313 0.000 2.599 166 S HA 0.888 5.358 4.470 -0.000 0.000 0.287 166 S C -1.279 173.182 174.600 -0.231 0.000 1.105 166 S CA -0.641 57.087 58.200 -0.787 0.000 0.899 166 S CB 1.535 63.886 63.200 -1.416 0.000 1.100 166 S HN 1.049 nan 8.310 nan 0.000 0.482 167 W N -0.212 120.779 121.300 -0.515 0.000 3.005 167 W HA 0.659 5.319 4.660 -0.000 0.000 0.343 167 W C -1.083 175.276 176.519 -0.267 0.000 1.243 167 W CA -0.912 56.242 57.345 -0.318 0.000 1.186 167 W CB 0.427 29.738 29.460 -0.248 0.000 1.453 167 W HN 0.818 nan 8.180 nan 0.000 0.575 168 E N 2.667 122.890 120.200 0.037 0.000 2.417 168 E HA 0.051 4.401 4.350 -0.000 0.000 0.261 168 E C 0.174 176.730 176.600 -0.073 0.000 1.000 168 E CA -0.448 55.920 56.400 -0.054 0.000 0.919 168 E CB 0.597 30.298 29.700 0.002 0.000 0.955 168 E HN 0.629 nan 8.360 nan 0.000 0.455 169 M N 4.831 124.326 119.600 -0.176 0.000 2.290 169 M HA -0.025 4.455 4.480 -0.000 0.000 0.356 169 M C 0.920 177.190 176.300 -0.050 0.000 1.448 169 M CA 1.899 57.088 55.300 -0.186 0.000 0.993 169 M CB -0.049 32.457 32.600 -0.157 0.000 1.934 169 M HN 0.894 nan 8.290 nan 0.000 0.461 170 G N 2.859 111.656 108.800 -0.004 0.000 2.308 170 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.221 170 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.221 170 G C -0.013 174.953 174.900 0.110 0.000 1.032 170 G CA 0.072 45.199 45.100 0.044 0.000 0.623 170 G HN 0.668 nan 8.290 nan 0.000 0.506 171 Q N 0.886 120.789 119.800 0.171 0.000 2.443 171 Q HA 0.613 4.953 4.340 -0.000 0.000 0.232 171 Q C 0.563 176.665 176.000 0.169 0.000 1.026 171 Q CA 0.200 56.091 55.803 0.147 0.000 0.924 171 Q CB 1.025 29.843 28.738 0.133 0.000 1.256 171 Q HN 0.823 nan 8.270 nan 0.000 0.519 172 A N 2.316 125.102 122.820 -0.057 0.000 2.293 172 A HA 0.499 4.819 4.320 -0.000 0.000 0.302 172 A C -2.262 174.935 177.584 -0.645 0.000 1.119 172 A CA -1.615 50.284 52.037 -0.231 0.000 0.823 172 A CB 0.192 19.097 19.000 -0.158 0.000 1.097 172 A HN 0.471 nan 8.150 nan 0.000 0.491 173 P HA 0.185 nan 4.420 nan 0.000 0.280 173 P C -0.327 176.562 177.300 -0.685 0.000 1.300 173 P CA 0.186 62.472 63.100 -1.356 0.000 0.785 173 P CB 0.867 31.449 31.700 -1.863 0.000 0.874 174 S N 3.751 119.135 115.700 -0.527 0.000 2.739 174 S HA 0.619 5.089 4.470 -0.000 0.000 0.306 174 S C -2.096 172.219 174.600 -0.476 0.000 1.115 174 S CA -1.827 56.108 58.200 -0.441 0.000 0.985 174 S CB 1.218 64.218 63.200 -0.335 0.000 1.133 174 S HN 0.057 nan 8.310 nan 0.000 0.541 175 P HA 0.089 nan 4.420 nan 0.000 0.234 175 P C 0.008 177.072 177.300 -0.392 0.000 1.167 175 P CA 0.943 63.707 63.100 -0.560 0.000 0.763 175 P CB -0.329 30.968 31.700 -0.672 0.000 0.835 176 Y N -1.085 119.163 120.300 -0.087 0.000 2.442 176 Y HA 0.206 4.756 4.550 -0.000 0.000 0.250 176 Y C 1.461 177.318 175.900 -0.071 0.000 1.113 176 Y CA -0.360 57.701 58.100 -0.066 0.000 1.273 176 Y CB -0.134 38.298 38.460 -0.046 0.000 1.138 176 Y HN 0.049 nan 8.280 nan 0.000 0.522 177 N N -0.049 118.648 118.700 -0.005 0.000 2.305 177 N HA 0.039 4.779 4.740 -0.000 0.000 0.248 177 N C -0.605 174.884 175.510 -0.036 0.000 1.290 177 N CA 0.034 53.078 53.050 -0.011 0.000 0.873 177 N CB -0.187 38.291 38.487 -0.015 0.000 1.261 177 N HN 0.060 nan 8.380 nan 0.000 0.504 178 T N -1.746 112.761 114.554 -0.077 0.000 2.823 178 T HA 0.484 4.833 4.350 -0.000 0.000 0.279 178 T C -0.276 174.385 174.700 -0.065 0.000 0.998 178 T CA -0.884 61.178 62.100 -0.062 0.000 0.994 178 T CB 2.468 71.256 68.868 -0.132 0.000 0.960 178 T HN 0.188 nan 8.240 nan 0.000 0.448 179 R N 2.175 122.630 120.500 -0.075 0.000 2.346 179 R HA 0.547 4.887 4.340 -0.000 0.000 0.311 179 R C -1.032 175.188 176.300 -0.133 0.000 0.983 179 R CA -0.702 55.335 56.100 -0.105 0.000 0.880 179 R CB 1.025 31.250 30.300 -0.125 0.000 1.100 179 R HN 0.608 nan 8.270 nan 0.000 0.453 180 V N 5.573 125.405 119.914 -0.137 0.000 2.427 180 V HA 0.036 4.155 4.120 -0.000 0.000 0.268 180 V C 0.929 176.860 176.094 -0.272 0.000 1.046 180 V CA 0.051 62.246 62.300 -0.175 0.000 0.970 180 V CB 1.246 32.978 31.823 -0.151 0.000 1.001 180 V HN 0.886 nan 8.190 nan 0.000 0.476 181 E N 2.860 122.885 120.200 -0.292 0.000 2.140 181 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 181 E C 0.518 176.642 176.600 -0.794 0.000 0.973 181 E CA 1.011 57.176 56.400 -0.391 0.000 0.829 181 E CB 0.460 30.053 29.700 -0.179 0.000 0.781 181 E HN 0.923 nan 8.360 nan 0.000 0.466 182 c N -1.219 117.010 118.600 -0.619 0.000 3.231 182 c HA 0.512 5.082 4.570 -0.000 0.000 0.343 182 c C -1.042 172.880 174.090 -0.279 0.000 1.349 182 c CA -1.391 54.517 56.329 -0.701 0.000 1.209 182 c CB 0.501 42.560 42.510 -0.752 0.000 1.475 182 c HN -0.004 nan 8.230 nan 0.000 0.460 183 I N 2.435 122.926 120.570 -0.131 0.000 2.353 183 I HA 0.820 4.990 4.170 -0.000 0.000 0.293 183 I C 0.903 176.946 176.117 -0.124 0.000 0.992 183 I CA 1.234 62.489 61.300 -0.076 0.000 1.268 183 I CB 0.445 38.439 38.000 -0.010 0.000 1.387 183 I HN 1.546 nan 8.210 nan 0.000 0.478 184 G N 6.455 115.169 108.800 -0.143 0.000 2.350 184 G HA2 0.060 4.020 3.960 -0.000 0.000 0.282 184 G HA3 0.060 4.020 3.960 -0.000 0.000 0.282 184 G C -0.959 173.848 174.900 -0.155 0.000 1.314 184 G CA -0.386 44.523 45.100 -0.318 0.000 0.915 184 G HN 0.624 nan 8.290 nan 0.000 0.499 185 W N -0.287 121.008 121.300 -0.009 0.000 2.499 185 W HA 0.645 5.305 4.660 -0.000 0.000 0.362 185 W C 0.016 176.540 176.519 0.008 0.000 0.945 185 W CA 0.143 57.482 57.345 -0.009 0.000 1.721 185 W CB 0.400 29.837 29.460 -0.038 0.000 1.156 185 W HN 0.931 nan 8.180 nan 0.000 0.547 186 S N 1.698 117.464 115.700 0.110 0.000 2.535 186 S HA 0.595 5.065 4.470 -0.000 0.000 0.272 186 S C -0.707 173.900 174.600 0.012 0.000 1.149 186 S CA 0.049 58.338 58.200 0.148 0.000 0.888 186 S CB 1.652 64.989 63.200 0.228 0.000 1.110 186 S HN 0.266 nan 8.310 nan 0.000 0.463 187 S N 2.044 117.780 115.700 0.061 0.000 2.656 187 S HA 0.885 5.355 4.470 -0.000 0.000 0.273 187 S C -0.766 173.830 174.600 -0.006 0.000 1.168 187 S CA -0.344 57.878 58.200 0.037 0.000 0.817 187 S CB 1.572 64.837 63.200 0.108 0.000 1.146 187 S HN 1.029 nan 8.310 nan 0.000 0.475 188 T N -0.277 114.264 114.554 -0.023 0.000 2.802 188 T HA 0.758 5.108 4.350 -0.000 0.000 0.311 188 T C -1.706 172.968 174.700 -0.045 0.000 1.405 188 T CA -0.051 61.975 62.100 -0.124 0.000 1.016 188 T CB 1.437 70.222 68.868 -0.138 0.000 1.352 188 T HN 1.395 nan 8.240 nan 0.000 0.498 189 S N 0.034 115.680 115.700 -0.091 0.000 2.552 189 S HA 0.761 5.231 4.470 -0.000 0.000 0.272 189 S C -1.509 173.043 174.600 -0.080 0.000 1.150 189 S CA -0.218 57.931 58.200 -0.084 0.000 0.849 189 S CB 0.380 63.470 63.200 -0.183 0.000 1.113 189 S HN 1.539 nan 8.310 nan 0.000 0.458 190 c N 2.463 121.062 118.600 -0.002 0.000 3.302 190 c HA 0.670 5.240 4.570 -0.000 0.000 0.347 190 c C -1.270 172.924 174.090 0.175 0.000 1.218 190 c CA -0.871 55.516 56.329 0.096 0.000 1.234 190 c CB 0.852 43.420 42.510 0.097 0.000 1.551 190 c HN 1.000 nan 8.230 nan 0.000 0.501 191 H N 1.579 120.767 119.070 0.196 0.000 2.459 191 H HA 0.388 4.943 4.556 -0.000 0.000 0.332 191 H C -0.173 175.377 175.328 0.369 0.000 1.094 191 H CA 0.442 56.612 56.048 0.204 0.000 1.224 191 H CB 2.021 31.805 29.762 0.036 0.000 1.449 191 H HN 0.954 nan 8.280 nan 0.000 0.484 192 D N 2.098 122.692 120.400 0.323 0.000 2.340 192 D HA 0.127 4.767 4.640 -0.000 0.000 0.217 192 D C 1.450 178.147 176.300 0.660 0.000 1.081 192 D CA 0.518 54.783 54.000 0.442 0.000 0.842 192 D CB 0.403 41.411 40.800 0.346 0.000 0.934 192 D HN 0.862 nan 8.370 nan 0.000 0.511 193 G N -0.177 109.156 108.800 0.889 0.000 2.254 193 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.225 193 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.225 193 G C 0.970 176.171 174.900 0.501 0.000 1.003 193 G CA 0.471 46.034 45.100 0.772 0.000 0.622 193 G HN 0.202 nan 8.290 nan 0.000 0.507 194 M N 0.032 119.854 119.600 0.369 0.000 2.906 194 M HA 0.428 4.907 4.480 -0.000 0.000 0.252 194 M C 0.964 177.253 176.300 -0.018 0.000 1.359 194 M CA 1.256 56.651 55.300 0.159 0.000 1.239 194 M CB -0.180 32.485 32.600 0.108 0.000 1.229 194 M HN 0.171 nan 8.290 nan 0.000 0.547 195 S N -0.689 114.786 115.700 -0.375 0.000 2.638 195 S HA 0.550 5.020 4.470 -0.000 0.000 0.274 195 S C -0.725 173.250 174.600 -1.043 0.000 1.157 195 S CA -0.830 56.902 58.200 -0.780 0.000 0.826 195 S CB 3.139 65.762 63.200 -0.961 0.000 1.139 195 S HN 0.250 nan 8.310 nan 0.000 0.474 196 R N 1.384 121.481 120.500 -0.672 0.000 2.297 196 R HA 0.546 4.886 4.340 -0.000 0.000 0.308 196 R C -0.590 175.633 176.300 -0.128 0.000 1.029 196 R CA -0.308 55.621 56.100 -0.284 0.000 0.929 196 R CB 0.688 30.986 30.300 -0.003 0.000 1.046 196 R HN 0.739 nan 8.270 nan 0.000 0.461 197 M N 3.285 122.917 119.600 0.054 0.000 2.238 197 M HA 0.323 4.802 4.480 -0.000 0.000 0.350 197 M C -1.309 175.026 176.300 0.058 0.000 1.138 197 M CA -0.015 55.368 55.300 0.138 0.000 1.040 197 M CB 1.643 34.328 32.600 0.142 0.000 1.639 197 M HN 0.603 nan 8.290 nan 0.000 0.451 198 S N 5.443 121.189 115.700 0.077 0.000 2.536 198 S HA 0.743 5.213 4.470 -0.000 0.000 0.287 198 S C -1.018 173.605 174.600 0.037 0.000 1.101 198 S CA -0.693 57.523 58.200 0.028 0.000 0.950 198 S CB 1.607 64.799 63.200 -0.012 0.000 1.056 198 S HN 0.712 nan 8.310 nan 0.000 0.481 199 I N 1.455 122.019 120.570 -0.011 0.000 2.619 199 I HA 0.542 4.712 4.170 -0.000 0.000 0.292 199 I C -1.071 175.030 176.117 -0.027 0.000 1.100 199 I CA -0.505 60.791 61.300 -0.006 0.000 1.043 199 I CB 1.971 39.913 38.000 -0.097 0.000 1.239 199 I HN 0.523 nan 8.210 nan 0.000 0.420 200 c N 5.422 124.004 118.600 -0.030 0.000 2.698 200 c HA 0.672 5.241 4.570 -0.000 0.000 0.309 200 c C -0.252 173.713 174.090 -0.209 0.000 1.186 200 c CA -0.612 55.647 56.329 -0.118 0.000 1.474 200 c CB 1.814 44.247 42.510 -0.128 0.000 2.020 200 c HN 0.621 nan 8.230 nan 0.000 0.474 201 M N 2.777 122.132 119.600 -0.409 0.000 2.363 201 M HA 0.656 5.136 4.480 -0.000 0.000 0.343 201 M C 0.305 175.852 176.300 -1.254 0.000 1.165 201 M CA 0.462 55.355 55.300 -0.679 0.000 1.046 201 M CB 1.705 33.866 32.600 -0.730 0.000 1.648 201 M HN 0.883 nan 8.290 nan 0.000 0.452 202 S N 0.701 115.834 115.700 -0.945 0.000 2.671 202 S HA 1.026 5.496 4.470 -0.000 0.000 0.277 202 S C -0.294 174.216 174.600 -0.149 0.000 1.165 202 S CA -0.186 57.505 58.200 -0.849 0.000 0.822 202 S CB 1.587 64.553 63.200 -0.390 0.000 1.150 202 S HN 1.590 nan 8.310 nan 0.000 0.479 203 G N 0.344 109.295 108.800 0.251 0.000 2.434 203 G HA2 0.212 4.172 3.960 -0.000 0.000 0.671 203 G HA3 0.212 4.172 3.960 -0.000 0.000 0.671 203 G C -3.462 171.640 174.900 0.336 0.000 1.280 203 G CA -0.355 44.887 45.100 0.235 0.000 0.975 203 G HN 0.827 nan 8.290 nan 0.000 0.510 204 P HA 0.301 nan 4.420 nan 0.000 0.276 204 P C 0.567 177.908 177.300 0.067 0.000 1.252 204 P CA -0.504 62.646 63.100 0.083 0.000 0.802 204 P CB 0.686 32.412 31.700 0.044 0.000 1.035 205 N N 1.418 120.099 118.700 -0.032 0.000 2.132 205 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 205 N C 1.204 176.702 175.510 -0.021 0.000 1.015 205 N CA 1.544 54.553 53.050 -0.068 0.000 0.864 205 N CB -0.792 37.630 38.487 -0.109 0.000 1.006 205 N HN 0.578 nan 8.380 nan 0.000 0.430 206 N N -0.710 117.985 118.700 -0.008 0.000 2.336 206 N HA 0.000 4.740 4.740 -0.000 0.000 0.189 206 N C -0.186 175.327 175.510 0.004 0.000 1.113 206 N CA 0.322 53.367 53.050 -0.007 0.000 0.858 206 N CB 0.089 38.572 38.487 -0.007 0.000 0.970 206 N HN -0.021 nan 8.380 nan 0.000 0.471 207 N N -0.325 118.389 118.700 0.025 0.000 2.550 207 N HA 0.251 4.991 4.740 -0.000 0.000 0.277 207 N C -1.191 174.347 175.510 0.046 0.000 1.595 207 N CA -0.155 52.911 53.050 0.027 0.000 0.888 207 N CB 0.772 39.275 38.487 0.027 0.000 1.424 207 N HN 0.343 nan 8.380 nan 0.000 0.501 208 A N 0.407 123.267 122.820 0.067 0.000 2.346 208 A HA 0.698 5.018 4.320 -0.000 0.000 0.252 208 A C 0.420 177.993 177.584 -0.018 0.000 1.089 208 A CA 0.116 52.209 52.037 0.093 0.000 0.797 208 A CB 0.306 19.452 19.000 0.244 0.000 1.047 208 A HN 0.446 nan 8.150 nan 0.000 0.494 209 S N -0.951 114.705 115.700 -0.073 0.000 2.550 209 S HA 0.743 5.213 4.470 -0.000 0.000 0.270 209 S C -0.642 173.886 174.600 -0.119 0.000 1.145 209 S CA -0.135 58.021 58.200 -0.073 0.000 0.852 209 S CB 1.354 64.536 63.200 -0.030 0.000 1.119 209 S HN 2.032 nan 8.310 nan 0.000 0.465 210 A N 1.520 124.303 122.820 -0.063 0.000 2.312 210 A HA 0.800 5.119 4.320 -0.000 0.000 0.326 210 A C -0.659 176.928 177.584 0.005 0.000 1.172 210 A CA -0.799 51.209 52.037 -0.048 0.000 0.821 210 A CB 1.004 20.004 19.000 -0.000 0.000 1.166 210 A HN 1.080 nan 8.150 nan 0.000 0.493 211 V N 2.974 122.910 119.914 0.036 0.000 2.448 211 V HA 0.388 4.507 4.120 -0.000 0.000 0.295 211 V C -0.367 175.822 176.094 0.159 0.000 1.025 211 V CA -0.478 61.867 62.300 0.075 0.000 0.859 211 V CB 1.577 33.486 31.823 0.143 0.000 0.988 211 V HN 0.640 nan 8.190 nan 0.000 0.431 212 V N 4.461 124.399 119.914 0.039 0.000 2.370 212 V HA 0.469 4.589 4.120 -0.000 0.000 0.283 212 V C -0.830 175.295 176.094 0.052 0.000 1.023 212 V CA -0.574 61.745 62.300 0.032 0.000 0.857 212 V CB 1.413 33.173 31.823 -0.106 0.000 0.985 212 V HN 0.869 nan 8.190 nan 0.000 0.443 213 W N 4.039 125.310 121.300 -0.048 0.000 2.627 213 W HA 0.667 5.326 4.660 -0.000 0.000 0.339 213 W C -0.716 175.853 176.519 0.083 0.000 1.058 213 W CA -0.868 56.485 57.345 0.014 0.000 1.223 213 W CB 1.224 30.683 29.460 -0.002 0.000 1.389 213 W HN 0.528 nan 8.180 nan 0.000 0.541 214 Y N 0.752 121.154 120.300 0.170 0.000 2.361 214 Y HA 0.458 5.008 4.550 -0.000 0.000 0.328 214 Y C 0.773 176.727 175.900 0.089 0.000 1.044 214 Y CA -0.224 57.929 58.100 0.087 0.000 1.085 214 Y CB 1.897 40.384 38.460 0.046 0.000 1.194 214 Y HN 0.774 nan 8.280 nan 0.000 0.438 215 G N 3.103 111.652 108.800 -0.419 0.000 2.179 215 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.257 215 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.257 215 G C 0.972 175.851 174.900 -0.034 0.000 1.010 215 G CA 0.775 45.701 45.100 -0.290 0.000 0.736 215 G HN 2.136 nan 8.290 nan 0.000 0.513 216 G N -1.899 106.953 108.800 0.087 0.000 2.157 216 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.248 216 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.248 216 G C 0.248 175.386 174.900 0.397 0.000 0.979 216 G CA 0.959 46.183 45.100 0.206 0.000 0.650 216 G HN 1.066 nan 8.290 nan 0.000 0.529 217 R N 0.577 121.263 120.500 0.309 0.000 2.740 217 R HA 0.540 4.880 4.340 -0.000 0.000 0.282 217 R C -2.682 173.490 176.300 -0.213 0.000 0.969 217 R CA -2.041 54.114 56.100 0.092 0.000 0.918 217 R CB 2.416 32.731 30.300 0.025 0.000 1.175 217 R HN 0.078 nan 8.270 nan 0.000 0.464 218 P HA 0.093 nan 4.420 nan 0.000 0.276 218 P C -0.106 176.947 177.300 -0.410 0.000 1.235 218 P CA 0.007 62.484 63.100 -1.038 0.000 0.772 218 P CB 0.956 31.924 31.700 -1.220 0.000 0.871 219 I N 1.023 121.431 120.570 -0.269 0.000 3.673 219 I HA 0.159 4.329 4.170 -0.000 0.000 0.281 219 I C 0.830 176.902 176.117 -0.074 0.000 1.182 219 I CA 0.951 62.187 61.300 -0.106 0.000 1.391 219 I CB -0.393 37.601 38.000 -0.010 0.000 1.383 219 I HN 0.251 nan 8.210 nan 0.000 0.456 220 T N 1.748 116.266 114.554 -0.059 0.000 2.909 220 T HA 0.553 4.903 4.350 -0.000 0.000 0.299 220 T C -0.970 173.730 174.700 0.001 0.000 1.073 220 T CA -0.495 61.610 62.100 0.008 0.000 0.999 220 T CB 2.907 71.846 68.868 0.117 0.000 1.098 220 T HN -0.067 nan 8.240 nan 0.000 0.477 221 E N 1.180 121.393 120.200 0.021 0.000 2.288 221 E HA 0.717 5.067 4.350 -0.000 0.000 0.268 221 E C -0.971 175.671 176.600 0.070 0.000 0.885 221 E CA -0.632 55.784 56.400 0.028 0.000 0.767 221 E CB 2.045 31.744 29.700 -0.003 0.000 1.220 221 E HN 0.457 nan 8.360 nan 0.000 0.427 222 I N 2.895 123.516 120.570 0.085 0.000 2.468 222 I HA 0.331 4.501 4.170 -0.000 0.000 0.284 222 I C -2.388 173.787 176.117 0.096 0.000 1.038 222 I CA -2.294 59.084 61.300 0.130 0.000 1.083 222 I CB 2.000 40.128 38.000 0.214 0.000 1.223 222 I HN 0.287 nan 8.210 nan 0.000 0.443 223 P HA 0.077 nan 4.420 nan 0.000 0.278 223 P C -0.081 177.252 177.300 0.055 0.000 1.238 223 P CA -0.226 62.910 63.100 0.061 0.000 0.794 223 P CB 1.316 33.057 31.700 0.068 0.000 0.955 224 S N 1.783 117.451 115.700 -0.054 0.000 2.558 224 S HA -0.008 4.462 4.470 -0.000 0.000 0.291 224 S C 0.604 175.181 174.600 -0.039 0.000 1.306 224 S CA -0.208 57.869 58.200 -0.206 0.000 1.056 224 S CB -0.239 62.865 63.200 -0.160 0.000 0.836 224 S HN 0.603 nan 8.310 nan 0.000 0.504 225 W N 3.004 124.320 121.300 0.026 0.000 2.993 225 W HA 0.608 5.268 4.660 -0.000 0.000 0.290 225 W C 1.191 177.720 176.519 0.015 0.000 1.203 225 W CA 0.115 57.471 57.345 0.018 0.000 1.582 225 W CB -0.388 29.080 29.460 0.013 0.000 1.033 225 W HN 0.666 nan 8.180 nan 0.000 0.594 226 A N 0.689 123.501 122.820 -0.013 0.000 2.469 226 A HA 0.580 4.900 4.320 -0.000 0.000 0.245 226 A C 1.784 179.352 177.584 -0.026 0.000 1.221 226 A CA 0.338 52.407 52.037 0.053 0.000 0.946 226 A CB -0.674 18.372 19.000 0.078 0.000 1.049 226 A HN 0.788 nan 8.150 nan 0.000 0.529 227 G N 0.318 109.075 108.800 -0.073 0.000 2.273 227 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.280 227 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.280 227 G C -0.153 174.715 174.900 -0.053 0.000 1.047 227 G CA 0.535 45.606 45.100 -0.048 0.000 0.869 227 G HN 0.738 nan 8.290 nan 0.000 0.502 228 N N -0.102 118.547 118.700 -0.084 0.000 2.732 228 N HA 0.309 5.049 4.740 -0.000 0.000 0.247 228 N C 0.614 176.079 175.510 -0.075 0.000 1.305 228 N CA -0.401 52.608 53.050 -0.069 0.000 0.762 228 N CB -0.195 38.258 38.487 -0.056 0.000 1.361 228 N HN 0.731 nan 8.380 nan 0.000 0.545 229 I N 1.081 121.620 120.570 -0.052 0.000 7.154 229 I HA -0.329 3.841 4.170 -0.000 0.000 0.126 229 I C -0.001 176.141 176.117 0.042 0.000 1.808 229 I CA 0.031 61.326 61.300 -0.008 0.000 2.123 229 I CB -0.788 37.143 38.000 -0.115 0.000 3.552 229 I HN 0.382 nan 8.210 nan 0.000 0.195 230 L N 5.602 126.814 121.223 -0.017 0.000 2.640 230 L HA 0.110 4.450 4.340 -0.000 0.000 0.280 230 L C 0.886 177.784 176.870 0.047 0.000 1.229 230 L CA 1.078 55.821 54.840 -0.162 0.000 0.919 230 L CB 0.080 41.956 42.059 -0.305 0.000 1.168 230 L HN 0.545 nan 8.230 nan 0.000 0.496 231 R N 2.376 122.879 120.500 0.005 0.000 2.752 231 R HA 0.756 5.096 4.340 -0.000 0.000 0.271 231 R C -0.863 175.464 176.300 0.046 0.000 1.026 231 R CA -0.630 55.531 56.100 0.102 0.000 0.901 231 R CB 1.446 31.848 30.300 0.171 0.000 1.243 231 R HN 0.532 nan 8.270 nan 0.000 0.463 232 T N -1.582 113.005 114.554 0.056 0.000 2.565 232 T HA 0.162 4.511 4.350 -0.000 0.000 0.253 232 T C 0.273 174.980 174.700 0.011 0.000 0.868 232 T CA -0.293 61.822 62.100 0.025 0.000 1.213 232 T CB 1.210 70.085 68.868 0.011 0.000 1.518 232 T HN 0.638 nan 8.240 nan 0.000 0.474 233 Q N 0.004 119.784 119.800 -0.033 0.000 2.083 233 Q HA 0.009 4.349 4.340 -0.000 0.000 0.198 233 Q C -0.066 175.895 176.000 -0.065 0.000 0.969 233 Q CA 1.354 57.116 55.803 -0.068 0.000 0.838 233 Q CB 0.102 28.772 28.738 -0.113 0.000 0.900 233 Q HN 0.614 nan 8.270 nan 0.000 0.436 234 E N -0.431 119.717 120.200 -0.087 0.000 3.286 234 E HA -0.170 4.180 4.350 -0.000 0.000 0.292 234 E C -0.462 175.936 176.600 -0.338 0.000 0.928 234 E CA 1.198 57.569 56.400 -0.048 0.000 0.982 234 E CB -2.168 27.662 29.700 0.216 0.000 1.500 234 E HN 0.448 nan 8.360 nan 0.000 0.441 235 S N -1.469 113.824 115.700 -0.678 0.000 2.643 235 S HA 0.490 4.960 4.470 -0.000 0.000 0.270 235 S C -0.292 173.824 174.600 -0.807 0.000 1.166 235 S CA -0.613 57.062 58.200 -0.874 0.000 0.815 235 S CB 2.178 65.346 63.200 -0.054 0.000 1.139 235 S HN 0.226 nan 8.310 nan 0.000 0.472 236 E N -0.002 119.935 120.200 -0.438 0.000 2.398 236 E HA 0.419 4.769 4.350 -0.000 0.000 0.263 236 E C 0.518 177.075 176.600 -0.071 0.000 1.046 236 E CA -0.837 55.459 56.400 -0.174 0.000 0.908 236 E CB 0.176 29.907 29.700 0.052 0.000 0.963 236 E HN 0.838 nan 8.360 nan 0.000 0.431 237 c N 1.494 120.064 118.600 -0.050 0.000 2.517 237 c HA 0.800 5.370 4.570 -0.000 0.000 0.357 237 c C 0.119 174.224 174.090 0.026 0.000 1.485 237 c CA -0.862 55.455 56.329 -0.019 0.000 2.148 237 c CB 0.026 42.521 42.510 -0.026 0.000 2.019 237 c HN 0.601 nan 8.230 nan 0.000 0.576 238 V N -0.675 119.236 119.914 -0.004 0.000 2.971 238 V HA 0.563 4.682 4.120 -0.000 0.000 0.309 238 V C -0.472 175.588 176.094 -0.058 0.000 1.130 238 V CA -0.247 62.014 62.300 -0.064 0.000 0.964 238 V CB 1.310 33.069 31.823 -0.106 0.000 1.029 238 V HN 1.187 nan 8.190 nan 0.000 0.427 239 c N 2.952 121.498 118.600 -0.090 0.000 2.561 239 c HA 0.724 5.294 4.570 -0.000 0.000 0.319 239 c C -0.479 173.610 174.090 -0.002 0.000 1.198 239 c CA -0.510 55.812 56.329 -0.010 0.000 1.665 239 c CB 1.100 43.644 42.510 0.057 0.000 2.258 239 c HN 1.028 nan 8.230 nan 0.000 0.493 240 H N 1.811 120.832 119.070 -0.082 0.000 2.840 240 H HA 0.246 4.802 4.556 -0.000 0.000 0.340 240 H C -0.467 174.814 175.328 -0.078 0.000 1.004 240 H CA -0.227 55.783 56.048 -0.064 0.000 1.288 240 H CB 0.694 30.430 29.762 -0.043 0.000 1.607 240 H HN 0.885 nan 8.280 nan 0.000 0.522 241 K N 3.607 123.762 120.400 -0.408 0.000 3.071 241 K HA -0.250 4.070 4.320 -0.000 0.000 0.262 241 K C 0.907 177.176 176.600 -0.552 0.000 0.977 241 K CA 0.895 56.972 56.287 -0.351 0.000 0.721 241 K CB -1.506 30.770 32.500 -0.375 0.000 1.293 241 K HN 1.091 nan 8.250 nan 0.000 0.475 242 G N -1.670 106.611 108.800 -0.864 0.000 2.253 242 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 242 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 242 G C 0.167 174.772 174.900 -0.492 0.000 0.998 242 G CA 0.060 44.386 45.100 -1.289 0.000 0.621 242 G HN 0.270 nan 8.290 nan 0.000 0.524 243 V N 1.265 121.035 119.914 -0.240 0.000 2.370 243 V HA 0.530 4.649 4.120 -0.000 0.000 0.279 243 V C 0.336 176.452 176.094 0.038 0.000 1.029 243 V CA -0.358 61.911 62.300 -0.052 0.000 0.870 243 V CB 1.449 33.282 31.823 0.016 0.000 0.984 243 V HN 0.478 nan 8.190 nan 0.000 0.451 244 c N 7.394 126.049 118.600 0.091 0.000 2.321 244 c HA 0.486 5.056 4.570 -0.000 0.000 0.323 244 c C -2.488 171.678 174.090 0.126 0.000 1.191 244 c CA -1.587 54.803 56.329 0.102 0.000 1.455 244 c CB 0.802 43.377 42.510 0.108 0.000 2.083 244 c HN 0.610 nan 8.230 nan 0.000 0.442 245 P HA 0.411 nan 4.420 nan 0.000 0.275 245 P C -0.708 176.536 177.300 -0.094 0.000 1.227 245 P CA -0.008 62.981 63.100 -0.184 0.000 0.781 245 P CB 0.798 32.320 31.700 -0.297 0.000 0.906 246 V N 3.531 123.385 119.914 -0.100 0.000 2.709 246 V HA 0.295 4.415 4.120 -0.000 0.000 0.308 246 V C -0.173 175.871 176.094 -0.084 0.000 1.062 246 V CA -0.781 61.509 62.300 -0.016 0.000 0.901 246 V CB 2.491 34.416 31.823 0.170 0.000 1.003 246 V HN 0.197 nan 8.190 nan 0.000 0.425 247 V N 5.670 125.535 119.914 -0.081 0.000 2.407 247 V HA 0.560 4.679 4.120 -0.000 0.000 0.278 247 V C -0.019 176.075 176.094 0.000 0.000 1.037 247 V CA -0.222 62.028 62.300 -0.083 0.000 0.900 247 V CB 1.341 33.098 31.823 -0.110 0.000 0.983 247 V HN 0.829 nan 8.190 nan 0.000 0.459 248 M N 3.344 122.986 119.600 0.070 0.000 2.530 248 M HA 0.578 5.057 4.480 -0.000 0.000 0.307 248 M C -0.596 175.828 176.300 0.206 0.000 1.161 248 M CA -0.288 55.109 55.300 0.162 0.000 0.903 248 M CB 2.783 35.583 32.600 0.333 0.000 1.711 248 M HN 0.576 nan 8.290 nan 0.000 0.451 249 T N 0.467 115.092 114.554 0.118 0.000 2.893 249 T HA 0.502 4.852 4.350 -0.000 0.000 0.291 249 T C -1.589 173.096 174.700 -0.025 0.000 1.028 249 T CA -0.621 61.538 62.100 0.098 0.000 0.995 249 T CB 1.769 70.629 68.868 -0.014 0.000 1.051 249 T HN 0.547 nan 8.240 nan 0.000 0.470 250 D N 0.473 120.856 120.400 -0.028 0.000 2.855 250 D HA 0.627 5.267 4.640 -0.000 0.000 0.241 250 D C -0.124 176.144 176.300 -0.053 0.000 1.277 250 D CA 0.300 54.161 54.000 -0.232 0.000 0.918 250 D CB 1.497 41.780 40.800 -0.861 0.000 1.462 250 D HN 0.975 nan 8.370 nan 0.000 0.559 251 G N 2.807 111.579 108.800 -0.047 0.000 2.369 251 G HA2 0.107 4.066 3.960 -0.000 0.000 0.295 251 G HA3 0.107 4.066 3.960 -0.000 0.000 0.295 251 G C -2.997 171.900 174.900 -0.005 0.000 1.298 251 G CA -0.991 44.103 45.100 -0.009 0.000 0.940 251 G HN 0.355 nan 8.290 nan 0.000 0.536 252 P HA 0.346 nan 4.420 nan 0.000 0.265 252 P C 0.783 178.096 177.300 0.021 0.000 1.187 252 P CA 0.941 64.007 63.100 -0.057 0.000 0.766 252 P CB 0.911 32.516 31.700 -0.159 0.000 0.820 253 A N 3.047 125.865 122.820 -0.004 0.000 2.169 253 A HA -0.059 4.261 4.320 -0.000 0.000 0.212 253 A C 0.929 178.456 177.584 -0.095 0.000 1.153 253 A CA 0.883 52.950 52.037 0.051 0.000 0.756 253 A CB -0.767 18.253 19.000 0.033 0.000 0.813 253 A HN 0.675 nan 8.150 nan 0.000 0.471 254 N N -0.964 117.611 118.700 -0.207 0.000 2.377 254 N HA 0.187 4.927 4.740 -0.000 0.000 0.259 254 N C -0.577 174.604 175.510 -0.549 0.000 1.332 254 N CA -0.375 52.542 53.050 -0.220 0.000 0.877 254 N CB -0.050 38.389 38.487 -0.079 0.000 1.299 254 N HN 0.244 nan 8.380 nan 0.000 0.501 255 N N 0.045 118.153 118.700 -0.986 0.000 3.356 255 N HA 0.143 4.883 4.740 -0.000 0.000 0.246 255 N C -1.507 173.171 175.510 -1.386 0.000 1.480 255 N CA -0.544 51.475 53.050 -1.718 0.000 0.877 255 N CB 1.782 39.766 38.487 -0.838 0.000 1.431 255 N HN 0.081 nan 8.380 nan 0.000 0.500 256 R N 0.718 120.329 120.500 -1.482 0.000 2.583 256 R HA 0.291 4.631 4.340 -0.000 0.000 0.274 256 R C -0.487 175.709 176.300 -0.172 0.000 0.998 256 R CA 0.591 56.364 56.100 -0.545 0.000 1.081 256 R CB -0.015 30.129 30.300 -0.261 0.000 0.940 256 R HN 0.519 nan 8.270 nan 0.000 0.413 257 A N 2.814 125.669 122.820 0.059 0.000 2.483 257 A HA 0.743 5.062 4.320 -0.000 0.000 0.286 257 A C -1.391 176.254 177.584 0.101 0.000 1.207 257 A CA -0.423 51.658 52.037 0.073 0.000 0.764 257 A CB 1.771 20.833 19.000 0.104 0.000 1.341 257 A HN 0.756 nan 8.150 nan 0.000 0.428 258 A N 0.771 123.685 122.820 0.156 0.000 2.412 258 A HA 0.619 4.938 4.320 -0.000 0.000 0.334 258 A C -0.091 177.685 177.584 0.320 0.000 1.419 258 A CA -0.204 51.976 52.037 0.239 0.000 0.930 258 A CB -0.464 18.748 19.000 0.355 0.000 1.149 258 A HN 0.661 nan 8.150 nan 0.000 0.515 259 T N 2.985 117.633 114.554 0.157 0.000 2.837 259 T HA 0.433 4.783 4.350 -0.000 0.000 0.285 259 T C -0.035 174.687 174.700 0.037 0.000 0.984 259 T CA -0.138 62.036 62.100 0.124 0.000 1.049 259 T CB 0.761 69.637 68.868 0.013 0.000 0.947 259 T HN 0.624 nan 8.240 nan 0.000 0.472 260 K N 2.288 122.705 120.400 0.029 0.000 2.385 260 K HA 0.582 4.902 4.320 -0.000 0.000 0.248 260 K C -0.898 175.606 176.600 -0.160 0.000 0.955 260 K CA -1.048 55.142 56.287 -0.162 0.000 0.816 260 K CB 1.906 34.133 32.500 -0.454 0.000 1.250 260 K HN 0.330 nan 8.250 nan 0.000 0.434 261 I N 3.432 123.857 120.570 -0.241 0.000 2.339 261 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 261 I C -0.046 175.855 176.117 -0.360 0.000 0.994 261 I CA -0.540 60.549 61.300 -0.352 0.000 1.191 261 I CB 0.689 38.389 38.000 -0.500 0.000 1.343 261 I HN 0.487 nan 8.210 nan 0.000 0.458 262 I N 6.521 126.860 120.570 -0.386 0.000 2.433 262 I HA 0.319 4.488 4.170 -0.000 0.000 0.292 262 I C -1.057 174.711 176.117 -0.582 0.000 1.001 262 I CA -0.802 60.254 61.300 -0.406 0.000 1.119 262 I CB 1.677 39.482 38.000 -0.324 0.000 1.289 262 I HN 0.325 nan 8.210 nan 0.000 0.438 263 Y N 5.513 125.559 120.300 -0.423 0.000 2.331 263 Y HA 0.500 5.050 4.550 -0.000 0.000 0.338 263 Y C -0.444 175.204 175.900 -0.420 0.000 0.976 263 Y CA -0.495 57.438 58.100 -0.278 0.000 1.137 263 Y CB 0.985 39.344 38.460 -0.168 0.000 1.172 263 Y HN 0.300 nan 8.280 nan 0.000 0.478 264 F N 2.327 122.301 119.950 0.040 0.000 2.507 264 F HA 0.600 5.126 4.527 -0.000 0.000 0.327 264 F C -0.065 175.694 175.800 -0.068 0.000 1.068 264 F CA -1.108 56.881 58.000 -0.019 0.000 0.965 264 F CB 1.901 40.883 39.000 -0.030 0.000 1.192 264 F HN 0.196 nan 8.300 nan 0.000 0.476 265 K N 1.645 122.081 120.400 0.060 0.000 2.601 265 K HA 0.245 4.565 4.320 -0.000 0.000 0.249 265 K C -0.748 175.722 176.600 -0.217 0.000 0.966 265 K CA -0.391 55.833 56.287 -0.106 0.000 0.827 265 K CB 0.956 33.382 32.500 -0.124 0.000 1.178 265 K HN 0.773 nan 8.250 nan 0.000 0.437 266 E N 2.438 122.330 120.200 -0.513 0.000 2.440 266 E HA -0.281 4.069 4.350 -0.000 0.000 0.246 266 E C 0.495 176.673 176.600 -0.703 0.000 1.165 266 E CA 0.771 56.461 56.400 -1.184 0.000 0.726 266 E CB -1.409 27.924 29.700 -0.612 0.000 1.271 266 E HN 1.161 nan 8.360 nan 0.000 0.397 267 G N -0.118 108.483 108.800 -0.332 0.000 2.189 267 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.267 267 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.267 267 G C 0.188 175.180 174.900 0.153 0.000 0.975 267 G CA 0.938 46.025 45.100 -0.022 0.000 0.644 267 G HN 0.287 nan 8.290 nan 0.000 0.537 268 K N 0.073 120.532 120.400 0.099 0.000 2.156 268 K HA 0.584 4.904 4.320 -0.000 0.000 0.271 268 K C 0.551 177.197 176.600 0.078 0.000 0.995 268 K CA -0.859 55.483 56.287 0.092 0.000 0.890 268 K CB 1.514 34.015 32.500 0.002 0.000 1.073 268 K HN 0.215 nan 8.250 nan 0.000 0.454 269 I N 4.112 124.680 120.570 -0.002 0.000 2.505 269 I HA -0.099 4.071 4.170 -0.000 0.000 0.287 269 I C 1.345 177.375 176.117 -0.145 0.000 1.104 269 I CA 0.012 61.184 61.300 -0.212 0.000 1.387 269 I CB 0.694 38.582 38.000 -0.187 0.000 1.404 269 I HN 0.507 nan 8.210 nan 0.000 0.528 270 Q N 5.323 125.030 119.800 -0.156 0.000 2.302 270 Q HA 0.135 4.474 4.340 -0.000 0.000 0.202 270 Q C 0.375 176.313 176.000 -0.104 0.000 0.936 270 Q CA 0.815 56.556 55.803 -0.103 0.000 0.886 270 Q CB 0.355 29.043 28.738 -0.084 0.000 0.986 270 Q HN 0.621 nan 8.270 nan 0.000 0.487 271 K N -0.451 119.891 120.400 -0.096 0.000 2.639 271 K HA 0.425 4.745 4.320 -0.000 0.000 0.279 271 K C -1.790 174.804 176.600 -0.011 0.000 0.976 271 K CA -0.329 55.921 56.287 -0.062 0.000 0.861 271 K CB 1.289 33.717 32.500 -0.121 0.000 1.436 271 K HN -0.071 nan 8.250 nan 0.000 0.400 272 I N 2.197 122.742 120.570 -0.041 0.000 2.545 272 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 272 I C -0.825 175.271 176.117 -0.035 0.000 1.040 272 I CA -0.777 60.480 61.300 -0.071 0.000 1.068 272 I CB 2.224 40.126 38.000 -0.163 0.000 1.251 272 I HN 0.576 nan 8.210 nan 0.000 0.424 273 E N 4.208 124.399 120.200 -0.015 0.000 2.272 273 E HA 0.344 4.694 4.350 -0.000 0.000 0.269 273 E C -1.235 175.346 176.600 -0.032 0.000 0.877 273 E CA -0.789 55.632 56.400 0.035 0.000 0.755 273 E CB 2.803 32.635 29.700 0.220 0.000 1.192 273 E HN 0.505 nan 8.360 nan 0.000 0.422 274 E N 1.416 121.601 120.200 -0.025 0.000 2.383 274 E HA 0.069 4.419 4.350 -0.000 0.000 0.264 274 E C -0.301 176.361 176.600 0.103 0.000 1.050 274 E CA -0.423 55.959 56.400 -0.030 0.000 0.896 274 E CB 0.745 30.424 29.700 -0.034 0.000 0.982 274 E HN 0.206 nan 8.360 nan 0.000 0.424 275 L N 2.463 123.728 121.223 0.069 0.000 2.514 275 L HA 0.189 4.529 4.340 -0.000 0.000 0.280 275 L C -0.544 176.473 176.870 0.245 0.000 1.223 275 L CA 0.736 55.686 54.840 0.183 0.000 0.864 275 L CB 0.293 42.394 42.059 0.071 0.000 1.118 275 L HN 0.573 nan 8.230 nan 0.000 0.494 276 A N 2.931 125.973 122.820 0.370 0.000 2.486 276 A HA 0.949 5.269 4.320 -0.000 0.000 0.289 276 A C 0.157 177.774 177.584 0.055 0.000 1.176 276 A CA -0.107 51.971 52.037 0.069 0.000 0.757 276 A CB 0.763 19.667 19.000 -0.160 0.000 1.337 276 A HN 1.929 nan 8.150 nan 0.000 0.423 277 G N -0.052 108.756 108.800 0.013 0.000 2.627 277 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 277 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 277 G C -0.069 174.870 174.900 0.065 0.000 1.331 277 G CA 0.146 45.264 45.100 0.030 0.000 0.891 277 G HN 0.897 nan 8.290 nan 0.000 0.539 278 N N 0.741 119.488 118.700 0.079 0.000 2.353 278 N HA 0.346 5.086 4.740 -0.000 0.000 0.185 278 N C 1.237 176.872 175.510 0.209 0.000 1.098 278 N CA 0.941 54.071 53.050 0.134 0.000 0.872 278 N CB 0.189 38.762 38.487 0.143 0.000 0.970 278 N HN 1.128 nan 8.380 nan 0.000 0.467 279 A N 0.754 123.615 122.820 0.068 0.000 2.520 279 A HA 0.047 4.367 4.320 -0.000 0.000 0.245 279 A C 1.040 178.709 177.584 0.143 0.000 1.072 279 A CA 0.108 52.098 52.037 -0.078 0.000 0.761 279 A CB 0.329 19.196 19.000 -0.222 0.000 1.004 279 A HN 0.251 nan 8.150 nan 0.000 0.499 280 Q N -0.097 119.879 119.800 0.293 0.000 2.396 280 Q HA 0.087 4.427 4.340 -0.000 0.000 0.209 280 Q C -0.302 176.001 176.000 0.505 0.000 0.906 280 Q CA 0.652 56.674 55.803 0.364 0.000 0.927 280 Q CB 0.375 29.286 28.738 0.287 0.000 1.069 280 Q HN 0.896 nan 8.270 nan 0.000 0.523 281 H N -0.660 118.571 119.070 0.269 0.000 3.085 281 H HA 0.378 4.933 4.556 -0.000 0.000 0.356 281 H C -1.801 173.593 175.328 0.110 0.000 1.178 281 H CA -0.642 55.553 56.048 0.246 0.000 1.214 281 H CB 1.125 31.116 29.762 0.382 0.000 1.881 281 H HN -0.122 nan 8.280 nan 0.000 0.538 282 I N 4.103 124.484 120.570 -0.315 0.000 2.478 282 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 282 I C -0.740 175.217 176.117 -0.266 0.000 1.042 282 I CA -0.570 60.606 61.300 -0.207 0.000 1.067 282 I CB 1.673 39.593 38.000 -0.134 0.000 1.233 282 I HN 0.643 nan 8.210 nan 0.000 0.431 283 E N 4.787 124.908 120.200 -0.131 0.000 2.340 283 E HA 0.343 4.693 4.350 -0.000 0.000 0.273 283 E C -0.771 175.796 176.600 -0.056 0.000 0.891 283 E CA -0.703 55.652 56.400 -0.075 0.000 0.757 283 E CB 2.304 32.000 29.700 -0.006 0.000 1.231 283 E HN 0.468 nan 8.360 nan 0.000 0.439 284 E N 0.068 120.243 120.200 -0.041 0.000 2.230 284 E HA -0.195 4.155 4.350 -0.000 0.000 0.206 284 E C -0.712 175.850 176.600 -0.064 0.000 1.309 284 E CA 0.132 56.503 56.400 -0.050 0.000 0.697 284 E CB -1.655 27.988 29.700 -0.094 0.000 1.146 284 E HN 0.388 nan 8.360 nan 0.000 0.363 285 c N 1.260 119.825 118.600 -0.059 0.000 2.653 285 c HA 0.186 4.756 4.570 -0.000 0.000 0.421 285 c C 1.182 175.250 174.090 -0.037 0.000 1.334 285 c CA -0.255 56.040 56.329 -0.056 0.000 1.885 285 c CB 0.498 42.967 42.510 -0.069 0.000 2.645 285 c HN 0.378 nan 8.230 nan 0.000 0.601 286 S N 2.060 117.756 115.700 -0.006 0.000 2.422 286 S HA 0.435 4.905 4.470 -0.000 0.000 0.308 286 S C -0.324 174.306 174.600 0.050 0.000 1.097 286 S CA -0.465 57.757 58.200 0.036 0.000 1.099 286 S CB 0.369 63.621 63.200 0.087 0.000 0.976 286 S HN 0.835 nan 8.310 nan 0.000 0.471 287 c N 3.487 122.125 118.600 0.063 0.000 2.529 287 c HA 0.909 5.479 4.570 -0.000 0.000 0.329 287 c C -0.598 173.611 174.090 0.198 0.000 1.194 287 c CA -0.945 55.417 56.329 0.054 0.000 1.779 287 c CB 0.200 42.703 42.510 -0.011 0.000 2.322 287 c HN 0.962 nan 8.230 nan 0.000 0.500 288 Y N -0.657 119.702 120.300 0.099 0.000 2.624 288 Y HA 0.757 5.307 4.550 -0.000 0.000 0.334 288 Y C -0.402 175.629 175.900 0.219 0.000 1.155 288 Y CA -0.779 57.466 58.100 0.241 0.000 1.046 288 Y CB 0.844 39.511 38.460 0.345 0.000 1.316 288 Y HN 0.854 nan 8.280 nan 0.000 0.457 289 G N 0.626 109.630 108.800 0.340 0.000 2.481 289 G HA2 0.886 4.846 3.960 -0.000 0.000 0.315 289 G HA3 0.886 4.846 3.960 -0.000 0.000 0.315 289 G C -1.655 173.528 174.900 0.470 0.000 1.231 289 G CA -0.674 44.525 45.100 0.165 0.000 0.968 289 G HN 1.562 nan 8.290 nan 0.000 0.482 290 A N -0.604 122.439 122.820 0.372 0.000 2.583 290 A HA 0.699 5.019 4.320 -0.000 0.000 0.298 290 A C 0.535 178.268 177.584 0.247 0.000 1.055 290 A CA 0.400 52.726 52.037 0.483 0.000 0.714 290 A CB 0.646 19.961 19.000 0.525 0.000 1.277 290 A HN 2.616 nan 8.150 nan 0.000 0.406 291 G N 0.391 109.307 108.800 0.193 0.000 2.225 291 G HA2 0.211 4.171 3.960 -0.000 0.000 0.267 291 G HA3 0.211 4.171 3.960 -0.000 0.000 0.267 291 G C 1.816 176.747 174.900 0.052 0.000 1.024 291 G CA 1.614 46.773 45.100 0.098 0.000 0.784 291 G HN 3.022 nan 8.290 nan 0.000 0.507 292 G N -3.294 105.529 108.800 0.039 0.000 2.148 292 G HA2 0.013 3.973 3.960 -0.000 0.000 0.254 292 G HA3 0.013 3.973 3.960 -0.000 0.000 0.254 292 G C 0.291 175.075 174.900 -0.193 0.000 0.981 292 G CA 0.668 45.680 45.100 -0.146 0.000 0.670 292 G HN 1.686 nan 8.290 nan 0.000 0.528 293 V N 0.958 120.823 119.914 -0.081 0.000 2.656 293 V HA 0.647 4.766 4.120 -0.000 0.000 0.307 293 V C 0.282 176.316 176.094 -0.101 0.000 1.051 293 V CA -0.892 61.359 62.300 -0.082 0.000 0.893 293 V CB 2.047 33.847 31.823 -0.038 0.000 0.999 293 V HN 0.274 nan 8.190 nan 0.000 0.426 294 I N 4.471 124.968 120.570 -0.121 0.000 2.336 294 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 294 I C -0.053 175.933 176.117 -0.219 0.000 0.991 294 I CA -0.494 60.701 61.300 -0.175 0.000 1.227 294 I CB 1.320 39.249 38.000 -0.119 0.000 1.366 294 I HN 0.487 nan 8.210 nan 0.000 0.466 295 K N 5.358 125.506 120.400 -0.419 0.000 2.221 295 K HA 0.614 4.933 4.320 -0.000 0.000 0.258 295 K C -1.390 175.062 176.600 -0.248 0.000 0.944 295 K CA -0.608 55.489 56.287 -0.316 0.000 0.823 295 K CB 2.123 34.438 32.500 -0.308 0.000 1.113 295 K HN 0.510 nan 8.250 nan 0.000 0.431 296 c N 3.511 122.034 118.600 -0.128 0.000 2.322 296 c HA 0.458 5.027 4.570 -0.000 0.000 0.324 296 c C -0.440 173.616 174.090 -0.056 0.000 1.249 296 c CA -0.887 55.393 56.329 -0.082 0.000 1.453 296 c CB -0.382 42.074 42.510 -0.090 0.000 2.145 296 c HN 0.675 nan 8.230 nan 0.000 0.466 297 I N 3.407 123.963 120.570 -0.025 0.000 2.321 297 I HA 0.467 4.636 4.170 -0.000 0.000 0.291 297 I C 0.462 176.556 176.117 -0.038 0.000 0.998 297 I CA 0.571 61.853 61.300 -0.030 0.000 1.227 297 I CB 0.579 38.570 38.000 -0.015 0.000 1.368 297 I HN 0.731 nan 8.210 nan 0.000 0.466 298 c N 4.490 123.053 118.600 -0.061 0.000 2.924 298 c HA 0.687 5.256 4.570 -0.000 0.000 0.399 298 c C 0.190 174.253 174.090 -0.045 0.000 1.795 298 c CA -1.071 55.221 56.329 -0.062 0.000 1.685 298 c CB 1.546 44.008 42.510 -0.080 0.000 2.218 298 c HN 0.715 nan 8.230 nan 0.000 0.474 299 R N 1.245 121.726 120.500 -0.033 0.000 2.409 299 R HA 0.345 4.685 4.340 -0.000 0.000 0.313 299 R C -1.711 174.641 176.300 0.086 0.000 0.953 299 R CA -0.039 56.069 56.100 0.014 0.000 0.849 299 R CB 0.827 31.119 30.300 -0.013 0.000 1.171 299 R HN 0.852 nan 8.270 nan 0.000 0.458 300 D N 3.299 123.789 120.400 0.150 0.000 2.380 300 D HA 0.043 4.683 4.640 -0.000 0.000 0.230 300 D C -0.061 176.427 176.300 0.314 0.000 1.154 300 D CA -0.127 54.051 54.000 0.297 0.000 0.859 300 D CB 1.185 42.175 40.800 0.317 0.000 1.045 300 D HN 0.621 nan 8.370 nan 0.000 0.495 301 N N 3.226 122.210 118.700 0.472 0.000 2.353 301 N HA 0.022 4.761 4.740 -0.000 0.000 0.185 301 N C 0.781 176.368 175.510 0.127 0.000 1.098 301 N CA 0.001 53.202 53.050 0.253 0.000 0.872 301 N CB 0.106 38.756 38.487 0.272 0.000 0.970 301 N HN 0.493 nan 8.380 nan 0.000 0.467 302 W N 0.693 121.862 121.300 -0.218 0.000 2.633 302 W HA 0.289 4.949 4.660 -0.000 0.000 0.295 302 W C 1.329 177.796 176.519 -0.088 0.000 1.133 302 W CA 1.289 58.469 57.345 -0.275 0.000 1.490 302 W CB -0.030 29.177 29.460 -0.422 0.000 1.127 302 W HN -0.156 nan 8.180 nan 0.000 0.538 303 K N -1.470 118.919 120.400 -0.019 0.000 2.485 303 K HA 0.245 4.565 4.320 -0.000 0.000 0.200 303 K C 0.926 177.478 176.600 -0.080 0.000 1.344 303 K CA 0.527 56.692 56.287 -0.204 0.000 0.948 303 K CB 0.329 32.520 32.500 -0.516 0.000 1.454 303 K HN -0.088 nan 8.250 nan 0.000 0.502 304 G N 0.453 109.258 108.800 0.009 0.000 2.370 304 G HA2 0.369 4.329 3.960 -0.000 0.000 0.272 304 G HA3 0.369 4.329 3.960 -0.000 0.000 0.272 304 G C 0.468 175.401 174.900 0.055 0.000 1.208 304 G CA -0.081 45.029 45.100 0.018 0.000 0.856 304 G HN 0.241 nan 8.290 nan 0.000 0.500 305 A N 2.604 125.429 122.820 0.009 0.000 2.178 305 A HA 0.130 4.450 4.320 -0.000 0.000 0.211 305 A C 1.303 178.905 177.584 0.030 0.000 1.157 305 A CA 0.091 52.140 52.037 0.019 0.000 0.780 305 A CB -0.307 18.690 19.000 -0.005 0.000 0.828 305 A HN 0.719 nan 8.150 nan 0.000 0.476 306 N N 0.495 119.222 118.700 0.046 0.000 2.515 306 N HA 0.235 4.975 4.740 -0.000 0.000 0.279 306 N C -0.615 175.020 175.510 0.207 0.000 1.164 306 N CA -0.354 52.752 53.050 0.094 0.000 0.982 306 N CB 0.443 38.978 38.487 0.080 0.000 1.170 306 N HN 0.169 nan 8.380 nan 0.000 0.474 307 R N 0.434 121.019 120.500 0.142 0.000 2.312 307 R HA 0.384 4.723 4.340 -0.000 0.000 0.311 307 R C -2.271 174.024 176.300 -0.009 0.000 1.004 307 R CA -1.587 54.555 56.100 0.070 0.000 0.902 307 R CB 0.908 31.205 30.300 -0.005 0.000 1.073 307 R HN 0.459 nan 8.270 nan 0.000 0.457 308 P HA 0.041 nan 4.420 nan 0.000 0.269 308 P C -0.851 176.316 177.300 -0.222 0.000 1.209 308 P CA -0.140 62.664 63.100 -0.493 0.000 0.776 308 P CB 0.746 32.165 31.700 -0.468 0.000 0.876 309 V N 4.237 124.039 119.914 -0.187 0.000 2.638 309 V HA 0.426 4.546 4.120 -0.000 0.000 0.306 309 V C -0.004 176.047 176.094 -0.072 0.000 1.052 309 V CA -0.416 61.830 62.300 -0.090 0.000 0.885 309 V CB 1.802 33.602 31.823 -0.038 0.000 0.999 309 V HN 0.372 nan 8.190 nan 0.000 0.424 310 I N 3.163 123.699 120.570 -0.058 0.000 2.406 310 I HA 0.452 4.621 4.170 -0.000 0.000 0.290 310 I C -0.066 176.040 176.117 -0.019 0.000 0.999 310 I CA -0.177 61.109 61.300 -0.023 0.000 1.124 310 I CB 2.231 40.196 38.000 -0.059 0.000 1.289 310 I HN 0.529 nan 8.210 nan 0.000 0.441 311 T N 7.196 121.763 114.554 0.022 0.000 2.758 311 T HA 0.607 4.956 4.350 -0.000 0.000 0.285 311 T C -0.170 174.560 174.700 0.050 0.000 0.981 311 T CA -0.257 61.847 62.100 0.007 0.000 0.965 311 T CB 0.707 69.579 68.868 0.005 0.000 0.927 311 T HN 0.256 nan 8.240 nan 0.000 0.448 312 I N 2.741 123.322 120.570 0.020 0.000 2.433 312 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 312 I C -0.237 175.902 176.117 0.036 0.000 1.001 312 I CA -0.871 60.473 61.300 0.073 0.000 1.119 312 I CB 1.799 39.831 38.000 0.052 0.000 1.289 312 I HN 0.470 nan 8.210 nan 0.000 0.438 313 D N 8.682 129.115 120.400 0.056 0.000 2.396 313 D HA 0.230 4.870 4.640 -0.000 0.000 0.225 313 D C -1.789 174.522 176.300 0.020 0.000 1.121 313 D CA -2.122 51.876 54.000 -0.003 0.000 0.853 313 D CB 1.889 42.677 40.800 -0.021 0.000 1.043 313 D HN 0.234 nan 8.370 nan 0.000 0.500 314 P HA -0.004 nan 4.420 nan 0.000 0.233 314 P C 0.698 178.030 177.300 0.054 0.000 1.167 314 P CA 0.604 63.749 63.100 0.075 0.000 0.770 314 P CB 0.816 32.550 31.700 0.055 0.000 0.837 315 E N -0.443 119.763 120.200 0.011 0.000 2.099 315 E HA 0.120 4.470 4.350 -0.000 0.000 0.191 315 E C 2.028 178.598 176.600 -0.050 0.000 0.962 315 E CA 0.750 57.167 56.400 0.028 0.000 0.826 315 E CB -0.216 29.519 29.700 0.058 0.000 0.788 315 E HN 0.203 nan 8.360 nan 0.000 0.461 316 M N -0.052 119.504 119.600 -0.073 0.000 2.558 316 M HA 0.104 4.584 4.480 -0.000 0.000 0.255 316 M C 0.128 176.302 176.300 -0.210 0.000 1.113 316 M CA 0.379 55.614 55.300 -0.108 0.000 1.097 316 M CB 0.152 32.705 32.600 -0.078 0.000 1.426 316 M HN 0.081 nan 8.290 nan 0.000 0.488 317 M N 2.081 121.507 119.600 -0.289 0.000 2.399 317 M HA -0.158 4.322 4.480 -0.000 0.000 0.191 317 M C -0.264 175.738 176.300 -0.497 0.000 0.732 317 M CA 0.685 55.536 55.300 -0.748 0.000 0.512 317 M CB -2.234 29.721 32.600 -1.075 0.000 1.191 317 M HN 0.446 nan 8.290 nan 0.000 0.894 318 T N -2.606 111.890 114.554 -0.097 0.000 2.864 318 T HA 0.888 5.238 4.350 -0.000 0.000 0.299 318 T C -0.703 174.106 174.700 0.183 0.000 1.166 318 T CA -0.762 61.368 62.100 0.050 0.000 1.007 318 T CB 2.927 71.765 68.868 -0.050 0.000 1.219 318 T HN 0.562 nan 8.240 nan 0.000 0.506 319 H N -0.688 118.412 119.070 0.050 0.000 2.990 319 H HA 0.811 5.367 4.556 -0.000 0.000 0.343 319 H C -1.241 174.091 175.328 0.007 0.000 1.270 319 H CA -0.674 55.394 56.048 0.033 0.000 1.118 319 H CB 1.508 31.294 29.762 0.041 0.000 1.861 319 H HN 1.046 nan 8.280 nan 0.000 0.544 320 T N -1.126 113.433 114.554 0.009 0.000 2.883 320 T HA 0.617 4.967 4.350 -0.000 0.000 0.296 320 T C -0.514 174.240 174.700 0.090 0.000 1.117 320 T CA -0.548 61.524 62.100 -0.046 0.000 1.006 320 T CB 1.672 70.518 68.868 -0.037 0.000 1.191 320 T HN 0.989 nan 8.240 nan 0.000 0.508 321 S N 0.039 115.773 115.700 0.056 0.000 2.564 321 S HA 0.904 5.374 4.470 -0.000 0.000 0.274 321 S C -1.056 173.551 174.600 0.011 0.000 1.124 321 S CA -0.862 57.361 58.200 0.038 0.000 0.869 321 S CB 2.298 65.528 63.200 0.050 0.000 1.105 321 S HN 1.363 nan 8.310 nan 0.000 0.472 322 K N 0.118 120.501 120.400 -0.028 0.000 2.412 322 K HA 0.469 4.788 4.320 -0.000 0.000 0.267 322 K C -1.823 174.723 176.600 -0.090 0.000 0.923 322 K CA -0.975 55.328 56.287 0.027 0.000 0.747 322 K CB 0.226 32.772 32.500 0.077 0.000 1.450 322 K HN 0.543 nan 8.250 nan 0.000 0.346 323 Y N 0.605 120.912 120.300 0.011 0.000 2.528 323 Y HA 0.417 4.967 4.550 -0.000 0.000 0.335 323 Y C 0.250 176.150 175.900 0.001 0.000 1.093 323 Y CA -1.054 57.049 58.100 0.005 0.000 1.134 323 Y CB 1.485 39.943 38.460 -0.003 0.000 1.253 323 Y HN 0.310 nan 8.280 nan 0.000 0.478 324 L N 2.022 123.330 121.223 0.141 0.000 2.628 324 L HA -0.172 4.168 4.340 -0.000 0.000 0.274 324 L C 0.671 177.590 176.870 0.081 0.000 1.209 324 L CA 0.001 54.890 54.840 0.082 0.000 0.930 324 L CB 0.284 42.372 42.059 0.048 0.000 1.183 324 L HN 0.975 nan 8.230 nan 0.000 0.492 325 c N 1.635 120.266 118.600 0.053 0.000 2.440 325 c HA -0.109 4.461 4.570 -0.000 0.000 0.278 325 c C 1.896 175.992 174.090 0.011 0.000 1.295 325 c CA 0.119 56.467 56.329 0.032 0.000 1.738 325 c CB -0.525 41.999 42.510 0.023 0.000 1.987 325 c HN 0.885 nan 8.230 nan 0.000 0.492 326 S N 0.847 116.550 115.700 0.004 0.000 2.561 326 S HA -0.039 4.431 4.470 -0.000 0.000 0.294 326 S C 1.485 176.074 174.600 -0.019 0.000 1.294 326 S CA 0.047 58.239 58.200 -0.013 0.000 1.055 326 S CB 0.403 63.589 63.200 -0.023 0.000 0.819 326 S HN 0.700 nan 8.310 nan 0.000 0.503 327 K N 2.676 123.061 120.400 -0.026 0.000 2.283 327 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 327 K C 0.302 176.881 176.600 -0.035 0.000 1.048 327 K CA 0.790 57.059 56.287 -0.031 0.000 0.948 327 K CB -0.355 32.127 32.500 -0.031 0.000 0.742 327 K HN 0.390 nan 8.250 nan 0.000 0.458 328 V N 3.844 123.734 119.914 -0.039 0.000 2.393 328 V HA 0.039 4.159 4.120 -0.000 0.000 0.257 328 V C 0.312 176.377 176.094 -0.049 0.000 1.040 328 V CA 0.126 62.397 62.300 -0.048 0.000 1.097 328 V CB -0.411 31.377 31.823 -0.058 0.000 1.101 328 V HN 0.217 nan 8.190 nan 0.000 0.479 329 L N 5.252 126.448 121.223 -0.045 0.000 2.367 329 L HA 0.300 4.639 4.340 -0.000 0.000 0.275 329 L C 1.284 178.121 176.870 -0.055 0.000 1.129 329 L CA 0.100 54.917 54.840 -0.038 0.000 0.839 329 L CB 1.128 43.168 42.059 -0.031 0.000 1.133 329 L HN 0.763 nan 8.230 nan 0.000 0.453 330 T N -3.627 110.894 114.554 -0.054 0.000 3.091 330 T HA 0.140 4.490 4.350 -0.000 0.000 0.277 330 T C 0.241 174.904 174.700 -0.061 0.000 0.996 330 T CA -0.537 61.510 62.100 -0.089 0.000 0.897 330 T CB 0.135 68.921 68.868 -0.136 0.000 1.109 330 T HN 0.402 nan 8.240 nan 0.000 0.534 331 D N 1.529 121.916 120.400 -0.021 0.000 2.423 331 D HA 0.436 5.075 4.640 -0.000 0.000 0.255 331 D C -0.589 175.718 176.300 0.012 0.000 1.174 331 D CA 0.016 54.019 54.000 0.006 0.000 1.008 331 D CB 1.887 42.706 40.800 0.032 0.000 1.101 331 D HN 0.076 nan 8.370 nan 0.000 0.516 332 T N 0.507 115.084 114.554 0.039 0.000 2.812 332 T HA 0.452 4.802 4.350 -0.000 0.000 0.282 332 T C -1.035 173.700 174.700 0.058 0.000 0.990 332 T CA -0.312 61.818 62.100 0.051 0.000 0.960 332 T CB 0.802 69.719 68.868 0.082 0.000 0.948 332 T HN 0.368 nan 8.240 nan 0.000 0.438 333 S N 2.352 118.080 115.700 0.046 0.000 3.741 333 S HA -0.086 4.383 4.470 -0.000 0.000 0.746 333 S C -0.159 174.456 174.600 0.025 0.000 0.477 333 S CA -0.134 58.090 58.200 0.039 0.000 1.449 333 S CB -0.495 62.734 63.200 0.048 0.000 0.863 333 S HN 0.962 nan 8.310 nan 0.000 1.075 334 R N 1.711 122.219 120.500 0.013 0.000 2.774 334 R HA 0.845 5.184 4.340 -0.000 0.000 0.272 334 R C -3.222 173.075 176.300 -0.005 0.000 1.000 334 R CA -2.174 53.926 56.100 0.001 0.000 0.906 334 R CB 1.321 31.617 30.300 -0.007 0.000 1.227 334 R HN 0.235 nan 8.270 nan 0.000 0.468 335 P HA 0.090 nan 4.420 nan 0.000 0.289 335 P C -0.826 176.463 177.300 -0.018 0.000 1.299 335 P CA -0.590 62.501 63.100 -0.015 0.000 0.766 335 P CB 0.369 32.056 31.700 -0.021 0.000 1.226 336 N N 0.458 119.147 118.700 -0.018 0.000 2.374 336 N HA 0.002 4.742 4.740 -0.000 0.000 0.241 336 N C -0.099 175.396 175.510 -0.025 0.000 1.262 336 N CA 0.437 53.475 53.050 -0.020 0.000 0.880 336 N CB -0.402 38.074 38.487 -0.018 0.000 1.105 336 N HN 0.339 nan 8.380 nan 0.000 0.438 337 D N 1.903 122.286 120.400 -0.027 0.000 2.458 337 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 337 D C -1.511 174.772 176.300 -0.029 0.000 1.146 337 D CA -0.331 53.651 54.000 -0.031 0.000 0.877 337 D CB 0.276 41.056 40.800 -0.033 0.000 1.176 337 D HN 0.349 nan 8.370 nan 0.000 0.461 338 P HA 0.093 nan 4.420 nan 0.000 0.282 338 P C 0.732 178.014 177.300 -0.029 0.000 1.287 338 P CA -0.309 62.773 63.100 -0.031 0.000 0.792 338 P CB 0.568 32.246 31.700 -0.037 0.000 1.163 339 T N -3.164 111.374 114.554 -0.028 0.000 2.985 339 T HA 0.012 4.361 4.350 -0.000 0.000 0.266 339 T C 0.446 175.130 174.700 -0.026 0.000 1.076 339 T CA 0.601 62.686 62.100 -0.025 0.000 1.135 339 T CB -0.685 68.169 68.868 -0.023 0.000 0.890 339 T HN 0.414 nan 8.240 nan 0.000 0.480 340 N N 0.260 118.943 118.700 -0.029 0.000 2.249 340 N HA 0.610 5.349 4.740 -0.000 0.000 0.296 340 N C 0.092 175.581 175.510 -0.034 0.000 1.051 340 N CA -0.663 52.369 53.050 -0.029 0.000 0.815 340 N CB 1.919 40.389 38.487 -0.028 0.000 1.487 340 N HN 0.289 nan 8.380 nan 0.000 0.475 341 G N 0.134 108.915 108.800 -0.031 0.000 2.489 341 G HA2 0.235 4.195 3.960 -0.000 0.000 0.271 341 G HA3 0.235 4.195 3.960 -0.000 0.000 0.271 341 G C -0.712 174.163 174.900 -0.042 0.000 1.427 341 G CA -0.306 44.773 45.100 -0.035 0.000 1.057 341 G HN 0.658 nan 8.290 nan 0.000 0.532 342 N N -2.388 116.284 118.700 -0.047 0.000 2.549 342 N HA 0.188 4.928 4.740 -0.000 0.000 0.290 342 N C 0.504 176.000 175.510 -0.025 0.000 1.122 342 N CA -0.784 52.230 53.050 -0.061 0.000 0.885 342 N CB 1.088 39.501 38.487 -0.124 0.000 1.455 342 N HN 0.296 nan 8.380 nan 0.000 0.521 343 c N 1.206 119.813 118.600 0.011 0.000 2.432 343 c HA 0.025 4.594 4.570 -0.000 0.000 0.280 343 c C 0.877 175.036 174.090 0.115 0.000 1.353 343 c CA 0.491 56.859 56.329 0.065 0.000 1.766 343 c CB -0.562 41.975 42.510 0.044 0.000 1.924 343 c HN 0.727 nan 8.230 nan 0.000 0.509 344 D N -0.391 120.040 120.400 0.052 0.000 2.582 344 D HA 0.405 5.045 4.640 -0.000 0.000 0.246 344 D C 0.086 176.389 176.300 0.004 0.000 1.334 344 D CA 0.392 54.445 54.000 0.089 0.000 0.805 344 D CB 0.768 41.598 40.800 0.050 0.000 1.087 344 D HN 0.458 nan 8.370 nan 0.000 0.499 345 A N 1.626 124.315 122.820 -0.219 0.000 2.612 345 A HA 0.598 4.917 4.320 -0.000 0.000 0.293 345 A C -2.898 174.140 177.584 -0.911 0.000 1.075 345 A CA -1.183 50.601 52.037 -0.421 0.000 0.680 345 A CB 1.905 20.766 19.000 -0.232 0.000 1.279 345 A HN -0.234 nan 8.150 nan 0.000 0.411 346 P HA 0.404 nan 4.420 nan 0.000 0.275 346 P C -0.801 176.262 177.300 -0.397 0.000 1.227 346 P CA 0.206 62.850 63.100 -0.761 0.000 0.781 346 P CB 0.594 32.046 31.700 -0.414 0.000 0.906 347 I N 2.765 123.168 120.570 -0.279 0.000 2.315 347 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 347 I C 1.428 177.468 176.117 -0.128 0.000 1.006 347 I CA -0.328 60.870 61.300 -0.171 0.000 1.265 347 I CB 1.283 39.209 38.000 -0.123 0.000 1.387 347 I HN 0.362 nan 8.210 nan 0.000 0.475 348 T N 2.507 116.989 114.554 -0.120 0.000 2.788 348 T HA 0.803 5.153 4.350 -0.000 0.000 0.280 348 T C 0.347 175.010 174.700 -0.062 0.000 0.984 348 T CA -0.054 61.988 62.100 -0.096 0.000 0.972 348 T CB 1.776 70.580 68.868 -0.106 0.000 1.039 348 T HN 1.061 nan 8.240 nan 0.000 0.530 349 G N -1.389 107.384 108.800 -0.044 0.000 2.462 349 G HA2 0.496 4.456 3.960 -0.000 0.000 0.685 349 G HA3 0.496 4.456 3.960 -0.000 0.000 0.685 349 G C 0.020 174.912 174.900 -0.013 0.000 1.295 349 G CA -0.123 44.960 45.100 -0.028 0.000 0.941 349 G HN 2.642 nan 8.290 nan 0.000 0.554 350 G N -1.866 106.931 108.800 -0.006 0.000 2.692 350 G HA2 0.516 4.476 3.960 -0.000 0.000 0.686 350 G HA3 0.516 4.476 3.960 -0.000 0.000 0.686 350 G C -0.105 174.802 174.900 0.012 0.000 1.243 350 G CA 1.038 46.141 45.100 0.004 0.000 0.782 350 G HN 2.649 nan 8.290 nan 0.000 0.625 351 S N 1.035 116.745 115.700 0.018 0.000 2.537 351 S HA 0.860 5.330 4.470 -0.000 0.000 0.270 351 S C -2.339 172.279 174.600 0.031 0.000 1.142 351 S CA -0.143 58.071 58.200 0.022 0.000 0.870 351 S CB 2.565 65.775 63.200 0.016 0.000 1.112 351 S HN 0.803 nan 8.310 nan 0.000 0.466 352 P HA 0.395 nan 4.420 nan 0.000 0.282 352 P C -0.891 176.430 177.300 0.036 0.000 1.327 352 P CA 0.008 63.126 63.100 0.030 0.000 0.949 352 P CB 0.116 31.832 31.700 0.027 0.000 1.445 353 D N 1.505 121.932 120.400 0.045 0.000 2.192 353 D HA 0.196 4.836 4.640 -0.000 0.000 0.246 353 D C -1.500 174.835 176.300 0.059 0.000 1.042 353 D CA -1.671 52.362 54.000 0.054 0.000 0.847 353 D CB 2.113 42.953 40.800 0.067 0.000 1.186 353 D HN 0.038 nan 8.370 nan 0.000 0.461 354 P HA 0.065 nan 4.420 nan 0.000 0.229 354 P C 0.388 177.740 177.300 0.086 0.000 1.160 354 P CA 0.443 63.587 63.100 0.073 0.000 0.777 354 P CB 0.938 32.683 31.700 0.076 0.000 0.814 355 G N -1.743 107.111 108.800 0.090 0.000 2.322 355 G HA2 0.411 4.370 3.960 -0.000 0.000 0.295 355 G HA3 0.411 4.370 3.960 -0.000 0.000 0.295 355 G C -2.372 172.586 174.900 0.096 0.000 1.369 355 G CA -0.226 44.927 45.100 0.088 0.000 0.821 355 G HN 0.053 nan 8.290 nan 0.000 0.536 356 V N -0.331 119.618 119.914 0.057 0.000 3.000 356 V HA 0.685 4.804 4.120 -0.000 0.000 0.300 356 V C -0.386 175.617 176.094 -0.151 0.000 1.251 356 V CA -0.925 61.395 62.300 0.033 0.000 0.972 356 V CB 1.927 33.837 31.823 0.145 0.000 1.065 356 V HN 1.086 nan 8.190 nan 0.000 0.431 357 K N 3.521 123.585 120.400 -0.561 0.000 2.451 357 K HA 0.564 4.883 4.320 -0.000 0.000 0.280 357 K C 0.117 176.614 176.600 -0.172 0.000 1.020 357 K CA 0.995 56.974 56.287 -0.512 0.000 1.008 357 K CB 0.648 32.563 32.500 -0.974 0.000 0.917 357 K HN 1.025 nan 8.250 nan 0.000 0.478 358 G N 2.570 111.341 108.800 -0.048 0.000 2.911 358 G HA2 0.686 4.646 3.960 -0.000 0.000 0.299 358 G HA3 0.686 4.646 3.960 -0.000 0.000 0.299 358 G C -1.511 173.461 174.900 0.121 0.000 1.283 358 G CA -0.731 44.415 45.100 0.077 0.000 0.805 358 G HN 0.677 nan 8.290 nan 0.000 0.548 359 F N -2.433 117.465 119.950 -0.087 0.000 2.817 359 F HA 0.897 5.424 4.527 -0.000 0.000 0.317 359 F C -0.750 174.958 175.800 -0.153 0.000 1.168 359 F CA -1.009 56.901 58.000 -0.150 0.000 0.911 359 F CB 1.261 40.130 39.000 -0.218 0.000 1.337 359 F HN 1.440 nan 8.300 nan 0.000 0.464 360 A N 0.791 123.403 122.820 -0.346 0.000 2.597 360 A HA 0.732 5.052 4.320 -0.000 0.000 0.292 360 A C -2.489 174.963 177.584 -0.220 0.000 1.057 360 A CA -0.682 51.157 52.037 -0.330 0.000 0.674 360 A CB 0.887 19.778 19.000 -0.182 0.000 1.278 360 A HN 0.758 nan 8.150 nan 0.000 0.416 361 F N 0.708 120.767 119.950 0.181 0.000 2.426 361 F HA 0.628 5.154 4.527 -0.000 0.000 0.348 361 F C -0.087 175.840 175.800 0.212 0.000 1.124 361 F CA -0.397 57.662 58.000 0.098 0.000 1.008 361 F CB 1.853 40.880 39.000 0.044 0.000 1.139 361 F HN 0.355 nan 8.300 nan 0.000 0.452 362 L N 3.712 125.202 121.223 0.445 0.000 2.318 362 L HA 0.433 4.773 4.340 -0.000 0.000 0.277 362 L C -0.868 176.191 176.870 0.314 0.000 1.008 362 L CA -0.302 54.726 54.840 0.315 0.000 0.846 362 L CB 1.365 43.569 42.059 0.242 0.000 1.220 362 L HN 0.505 nan 8.230 nan 0.000 0.423 363 D N 2.660 123.203 120.400 0.239 0.000 3.220 363 D HA 0.383 5.023 4.640 -0.000 0.000 0.309 363 D C 0.748 177.126 176.300 0.130 0.000 1.276 363 D CA 0.632 54.753 54.000 0.202 0.000 0.736 363 D CB 0.661 41.597 40.800 0.228 0.000 1.304 363 D HN 0.650 nan 8.370 nan 0.000 0.582 364 G N 1.588 110.448 108.800 0.101 0.000 2.629 364 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.313 364 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.313 364 G C 1.070 175.995 174.900 0.041 0.000 1.217 364 G CA 0.554 45.691 45.100 0.062 0.000 0.994 364 G HN 0.384 nan 8.290 nan 0.000 0.549 365 E N 0.953 121.169 120.200 0.027 0.000 2.153 365 E HA -0.102 4.247 4.350 -0.000 0.000 0.194 365 E C 1.739 178.338 176.600 -0.002 0.000 0.988 365 E CA 1.136 57.536 56.400 0.001 0.000 0.811 365 E CB -0.252 29.447 29.700 -0.001 0.000 0.746 365 E HN 0.429 nan 8.360 nan 0.000 0.466 366 N N 1.272 120.003 118.700 0.052 0.000 3.091 366 N HA -0.008 4.732 4.740 -0.000 0.000 0.301 366 N C -1.357 174.261 175.510 0.180 0.000 1.325 366 N CA 0.007 53.122 53.050 0.109 0.000 1.143 366 N CB 0.071 38.632 38.487 0.123 0.000 1.450 366 N HN -0.198 nan 8.380 nan 0.000 0.542 367 S N 0.534 116.277 115.700 0.071 0.000 2.454 367 S HA 0.474 4.944 4.470 -0.000 0.000 0.306 367 S C -1.120 173.493 174.600 0.021 0.000 1.100 367 S CA -0.567 57.716 58.200 0.139 0.000 1.087 367 S CB 0.747 63.993 63.200 0.077 0.000 1.019 367 S HN 0.328 nan 8.310 nan 0.000 0.480 368 W N 2.773 124.207 121.300 0.223 0.000 2.656 368 W HA 0.616 5.276 4.660 -0.000 0.000 0.327 368 W C -1.033 175.518 176.519 0.052 0.000 1.041 368 W CA -0.628 56.848 57.345 0.218 0.000 1.229 368 W CB 0.932 30.685 29.460 0.488 0.000 1.397 368 W HN 0.333 nan 8.180 nan 0.000 0.479 369 L N 3.419 124.715 121.223 0.122 0.000 2.322 369 L HA 0.798 5.138 4.340 -0.000 0.000 0.281 369 L C 0.707 177.423 176.870 -0.257 0.000 1.014 369 L CA -0.949 53.810 54.840 -0.136 0.000 0.815 369 L CB 1.168 43.150 42.059 -0.128 0.000 1.247 369 L HN 0.561 nan 8.230 nan 0.000 0.421 370 G N 2.541 110.968 108.800 -0.622 0.000 2.425 370 G HA2 0.790 4.750 3.960 -0.000 0.000 0.302 370 G HA3 0.790 4.750 3.960 -0.000 0.000 0.302 370 G C -0.757 173.826 174.900 -0.528 0.000 1.159 370 G CA -0.455 44.304 45.100 -0.567 0.000 0.865 370 G HN 0.804 nan 8.290 nan 0.000 0.515 371 R N -0.870 119.122 120.500 -0.846 0.000 2.728 371 R HA 0.510 4.850 4.340 -0.000 0.000 0.274 371 R C -0.398 175.336 176.300 -0.944 0.000 1.032 371 R CA -0.776 54.920 56.100 -0.673 0.000 0.866 371 R CB 0.216 30.318 30.300 -0.330 0.000 1.263 371 R HN 0.680 nan 8.270 nan 0.000 0.475 372 T N -0.715 113.583 114.554 -0.426 0.000 2.903 372 T HA 0.205 4.555 4.350 -0.000 0.000 0.314 372 T C 1.516 176.121 174.700 -0.159 0.000 1.078 372 T CA -0.511 61.477 62.100 -0.187 0.000 1.114 372 T CB 0.422 69.320 68.868 0.050 0.000 0.987 372 T HN 0.549 nan 8.240 nan 0.000 0.548 373 I N 1.174 121.697 120.570 -0.080 0.000 2.252 373 I HA -0.058 4.112 4.170 -0.000 0.000 0.245 373 I C 1.993 178.090 176.117 -0.032 0.000 1.102 373 I CA 0.751 62.017 61.300 -0.056 0.000 1.385 373 I CB -0.385 37.601 38.000 -0.024 0.000 1.064 373 I HN 0.729 nan 8.210 nan 0.000 0.414 374 S N 1.123 116.821 115.700 -0.004 0.000 2.549 374 S HA 0.062 4.532 4.470 -0.000 0.000 0.279 374 S C 0.984 175.593 174.600 0.014 0.000 1.321 374 S CA -0.405 57.802 58.200 0.012 0.000 1.054 374 S CB 0.735 63.959 63.200 0.041 0.000 0.899 374 S HN 0.170 nan 8.310 nan 0.000 0.497 375 K N 2.668 123.073 120.400 0.008 0.000 2.432 375 K HA 0.021 4.341 4.320 -0.000 0.000 0.196 375 K C 0.491 177.107 176.600 0.027 0.000 1.038 375 K CA 0.803 57.094 56.287 0.007 0.000 0.986 375 K CB 0.101 32.600 32.500 -0.001 0.000 0.782 375 K HN 0.586 nan 8.250 nan 0.000 0.485 376 D N -0.083 120.342 120.400 0.043 0.000 2.490 376 D HA 0.066 4.706 4.640 -0.000 0.000 0.244 376 D C 0.416 176.766 176.300 0.084 0.000 0.979 376 D CA 0.615 54.649 54.000 0.056 0.000 0.924 376 D CB 0.452 41.285 40.800 0.055 0.000 1.075 376 D HN -0.129 nan 8.370 nan 0.000 0.488 377 S N -0.437 115.333 115.700 0.116 0.000 2.638 377 S HA 0.444 4.914 4.470 -0.000 0.000 0.302 377 S C -0.054 174.671 174.600 0.209 0.000 1.096 377 S CA -0.756 57.549 58.200 0.175 0.000 0.953 377 S CB 2.224 65.578 63.200 0.256 0.000 1.107 377 S HN -0.044 nan 8.310 nan 0.000 0.503 378 R N 2.012 122.668 120.500 0.261 0.000 4.154 378 R HA 0.199 4.539 4.340 -0.000 0.000 0.186 378 R C -0.159 176.398 176.300 0.427 0.000 1.750 378 R CA -0.142 56.141 56.100 0.306 0.000 1.431 378 R CB -0.555 29.911 30.300 0.278 0.000 1.383 378 R HN 0.540 nan 8.270 nan 0.000 0.788 379 S N -0.593 115.288 115.700 0.301 0.000 2.536 379 S HA 0.774 5.244 4.470 -0.000 0.000 0.287 379 S C 0.251 174.914 174.600 0.105 0.000 1.101 379 S CA -0.320 57.988 58.200 0.180 0.000 0.950 379 S CB 2.244 65.417 63.200 -0.045 0.000 1.056 379 S HN 0.612 nan 8.310 nan 0.000 0.481 380 G N 0.784 109.637 108.800 0.090 0.000 2.916 380 G HA2 0.011 3.971 3.960 -0.000 0.000 0.533 380 G HA3 0.011 3.971 3.960 -0.000 0.000 0.533 380 G C -1.149 173.882 174.900 0.218 0.000 1.516 380 G CA -0.071 45.097 45.100 0.114 0.000 0.944 380 G HN 1.721 nan 8.290 nan 0.000 0.555 381 Y N 0.496 120.860 120.300 0.106 0.000 2.436 381 Y HA 0.524 5.073 4.550 -0.000 0.000 0.327 381 Y C -0.304 175.659 175.900 0.105 0.000 1.138 381 Y CA -0.196 57.973 58.100 0.115 0.000 1.042 381 Y CB 1.483 40.045 38.460 0.171 0.000 1.302 381 Y HN 1.020 nan 8.280 nan 0.000 0.439 382 E N 5.214 125.271 120.200 -0.240 0.000 2.343 382 E HA 0.625 4.975 4.350 -0.000 0.000 0.270 382 E C -1.575 174.979 176.600 -0.078 0.000 0.895 382 E CA -1.301 55.081 56.400 -0.030 0.000 0.767 382 E CB 2.515 32.193 29.700 -0.037 0.000 1.248 382 E HN 0.346 nan 8.360 nan 0.000 0.440 383 M N 2.525 122.184 119.600 0.099 0.000 2.294 383 M HA 0.444 4.924 4.480 -0.000 0.000 0.335 383 M C -1.000 175.519 176.300 0.365 0.000 1.079 383 M CA -0.724 54.668 55.300 0.154 0.000 0.982 383 M CB 1.075 33.713 32.600 0.065 0.000 1.651 383 M HN 0.607 nan 8.290 nan 0.000 0.437 384 L N 2.641 124.034 121.223 0.284 0.000 2.356 384 L HA 0.514 4.853 4.340 -0.000 0.000 0.277 384 L C 0.024 176.805 176.870 -0.148 0.000 0.996 384 L CA -0.707 54.185 54.840 0.087 0.000 0.822 384 L CB 2.160 44.204 42.059 -0.026 0.000 1.256 384 L HN 0.629 nan 8.230 nan 0.000 0.413 385 K N 3.137 123.138 120.400 -0.666 0.000 2.285 385 K HA 0.467 4.787 4.320 -0.000 0.000 0.286 385 K C -1.143 175.142 176.600 -0.526 0.000 1.072 385 K CA -0.375 55.199 56.287 -1.187 0.000 0.913 385 K CB 0.969 32.421 32.500 -1.746 0.000 1.067 385 K HN 0.411 nan 8.250 nan 0.000 0.479 386 V N 7.322 127.024 119.914 -0.353 0.000 2.320 386 V HA 0.231 4.351 4.120 -0.000 0.000 0.268 386 V C -2.340 173.673 176.094 -0.136 0.000 1.021 386 V CA -2.106 60.081 62.300 -0.189 0.000 0.813 386 V CB 0.845 32.597 31.823 -0.118 0.000 1.054 386 V HN 0.812 nan 8.190 nan 0.000 0.444 387 P HA 0.071 nan 4.420 nan 0.000 0.260 387 P C 0.562 177.838 177.300 -0.040 0.000 1.172 387 P CA 0.750 63.804 63.100 -0.076 0.000 0.760 387 P CB 0.122 31.779 31.700 -0.071 0.000 0.773 388 N N 1.276 119.969 118.700 -0.012 0.000 2.782 388 N HA -0.242 4.498 4.740 -0.000 0.000 0.251 388 N C 1.049 176.560 175.510 0.003 0.000 1.101 388 N CA 1.078 54.130 53.050 0.004 0.000 0.764 388 N CB -1.630 36.857 38.487 -0.001 0.000 1.122 388 N HN 0.510 nan 8.380 nan 0.000 0.561 389 A N 0.686 123.505 122.820 -0.001 0.000 1.958 389 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 389 A C 2.037 179.632 177.584 0.019 0.000 1.178 389 A CA 2.108 54.145 52.037 0.000 0.000 0.642 389 A CB -0.407 18.590 19.000 -0.005 0.000 0.816 389 A HN 0.552 nan 8.150 nan 0.000 0.453 390 E N -1.019 119.203 120.200 0.036 0.000 2.338 390 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 390 E C 1.559 178.181 176.600 0.036 0.000 1.007 390 E CA 1.517 57.944 56.400 0.044 0.000 0.849 390 E CB 0.057 29.794 29.700 0.062 0.000 0.774 390 E HN 0.809 nan 8.360 nan 0.000 0.506 391 T N -3.409 111.161 114.554 0.027 0.000 2.993 391 T HA 0.067 4.417 4.350 -0.000 0.000 0.260 391 T C 0.078 174.785 174.700 0.013 0.000 0.939 391 T CA -0.403 61.710 62.100 0.022 0.000 0.886 391 T CB 0.399 69.279 68.868 0.021 0.000 1.209 391 T HN -0.097 nan 8.240 nan 0.000 0.518 392 D N 1.767 122.171 120.400 0.007 0.000 2.344 392 D HA 0.337 4.977 4.640 -0.000 0.000 0.239 392 D C 1.312 177.609 176.300 -0.005 0.000 1.064 392 D CA -1.136 52.863 54.000 -0.001 0.000 0.829 392 D CB 1.342 42.138 40.800 -0.005 0.000 1.129 392 D HN 0.404 nan 8.370 nan 0.000 0.506 393 I N 0.405 120.970 120.570 -0.007 0.000 3.001 393 I HA -0.037 4.132 4.170 -0.000 0.000 0.268 393 I C 0.811 176.918 176.117 -0.018 0.000 1.267 393 I CA 0.643 61.936 61.300 -0.012 0.000 1.472 393 I CB -0.009 37.982 38.000 -0.015 0.000 1.089 393 I HN 0.275 nan 8.210 nan 0.000 0.468 394 Q N 1.766 121.555 119.800 -0.017 0.000 2.282 394 Q HA 0.156 4.496 4.340 -0.000 0.000 0.206 394 Q C 0.548 176.533 176.000 -0.025 0.000 0.878 394 Q CA -0.049 55.742 55.803 -0.021 0.000 0.944 394 Q CB 0.514 29.241 28.738 -0.019 0.000 1.100 394 Q HN 0.646 nan 8.270 nan 0.000 0.509 395 S N 0.069 115.754 115.700 -0.025 0.000 2.525 395 S HA 0.392 4.861 4.470 -0.000 0.000 0.285 395 S C 0.368 174.943 174.600 -0.042 0.000 1.283 395 S CA -0.216 57.964 58.200 -0.033 0.000 1.072 395 S CB 1.164 64.345 63.200 -0.031 0.000 0.867 395 S HN 0.255 nan 8.310 nan 0.000 0.492 396 G N 2.073 110.844 108.800 -0.048 0.000 2.685 396 G HA2 0.710 4.670 3.960 -0.000 0.000 0.298 396 G HA3 0.710 4.670 3.960 -0.000 0.000 0.298 396 G C -3.326 171.530 174.900 -0.074 0.000 1.277 396 G CA -2.175 42.892 45.100 -0.054 0.000 0.986 396 G HN 0.553 nan 8.290 nan 0.000 0.487 397 P HA 0.290 nan 4.420 nan 0.000 0.279 397 P C 0.664 177.909 177.300 -0.093 0.000 1.239 397 P CA -0.353 62.686 63.100 -0.102 0.000 0.789 397 P CB 1.122 32.777 31.700 -0.074 0.000 0.933 398 I N -0.708 119.783 120.570 -0.131 0.000 4.323 398 I HA 0.292 4.462 4.170 -0.000 0.000 0.328 398 I C 0.083 176.151 176.117 -0.082 0.000 1.310 398 I CA -0.029 61.212 61.300 -0.098 0.000 1.186 398 I CB 0.392 38.327 38.000 -0.108 0.000 1.130 398 I HN 0.253 nan 8.210 nan 0.000 0.411 399 S N 1.493 117.122 115.700 -0.119 0.000 2.596 399 S HA 0.558 5.028 4.470 -0.000 0.000 0.270 399 S C -1.294 173.328 174.600 0.036 0.000 1.155 399 S CA -0.817 57.371 58.200 -0.020 0.000 0.827 399 S CB 1.913 65.131 63.200 0.029 0.000 1.130 399 S HN 0.507 nan 8.310 nan 0.000 0.467 400 N N 0.305 119.109 118.700 0.174 0.000 2.416 400 N HA 0.442 5.182 4.740 -0.000 0.000 0.276 400 N C -1.758 173.962 175.510 0.350 0.000 1.261 400 N CA -0.598 52.603 53.050 0.251 0.000 0.790 400 N CB 2.231 40.804 38.487 0.142 0.000 1.554 400 N HN 0.860 nan 8.380 nan 0.000 0.481 401 Q N 1.390 121.427 119.800 0.394 0.000 2.263 401 Q HA 0.328 4.668 4.340 -0.000 0.000 0.266 401 Q C -1.686 174.492 176.000 0.296 0.000 1.002 401 Q CA -0.715 55.304 55.803 0.361 0.000 0.790 401 Q CB 2.143 31.167 28.738 0.477 0.000 1.272 401 Q HN 0.500 nan 8.270 nan 0.000 0.435 402 V N 6.129 126.194 119.914 0.251 0.000 2.470 402 V HA 0.046 4.166 4.120 -0.000 0.000 0.276 402 V C 0.976 177.259 176.094 0.314 0.000 1.040 402 V CA 0.058 62.498 62.300 0.233 0.000 1.008 402 V CB 0.773 32.700 31.823 0.173 0.000 0.990 402 V HN 0.826 nan 8.190 nan 0.000 0.477 403 I N 5.013 125.803 120.570 0.367 0.000 2.731 403 I HA 0.144 4.314 4.170 -0.000 0.000 0.260 403 I C 0.549 176.920 176.117 0.423 0.000 1.138 403 I CA 1.204 62.785 61.300 0.470 0.000 1.461 403 I CB 0.178 38.503 38.000 0.543 0.000 1.128 403 I HN 0.345 nan 8.210 nan 0.000 0.438 404 V N 3.044 123.168 119.914 0.349 0.000 2.567 404 V HA 0.222 4.342 4.120 -0.000 0.000 0.298 404 V C -0.507 175.694 176.094 0.180 0.000 1.047 404 V CA -1.283 61.186 62.300 0.282 0.000 0.880 404 V CB 1.744 33.753 31.823 0.310 0.000 1.009 404 V HN 0.397 nan 8.190 nan 0.000 0.429 405 N N 2.863 121.625 118.700 0.102 0.000 2.381 405 N HA -0.035 4.705 4.740 -0.000 0.000 0.241 405 N C 0.678 176.166 175.510 -0.037 0.000 1.279 405 N CA 0.174 53.234 53.050 0.018 0.000 0.896 405 N CB 0.253 38.717 38.487 -0.038 0.000 1.118 405 N HN 0.693 nan 8.380 nan 0.000 0.438 406 N N -0.678 117.989 118.700 -0.055 0.000 2.521 406 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 406 N C 0.042 175.440 175.510 -0.187 0.000 1.146 406 N CA 0.046 53.041 53.050 -0.092 0.000 0.893 406 N CB 0.131 38.581 38.487 -0.062 0.000 0.975 406 N HN 0.512 nan 8.380 nan 0.000 0.451 407 Q N -0.133 119.540 119.800 -0.211 0.000 2.403 407 Q HA 0.175 4.515 4.340 -0.000 0.000 0.203 407 Q C -0.721 175.031 176.000 -0.413 0.000 0.932 407 Q CA 0.344 55.973 55.803 -0.291 0.000 0.945 407 Q CB 0.429 29.028 28.738 -0.232 0.000 1.045 407 Q HN 0.264 nan 8.270 nan 0.000 0.511 408 N N -1.050 117.432 118.700 -0.364 0.000 2.292 408 N HA 0.418 5.158 4.740 -0.000 0.000 0.303 408 N C -1.396 173.919 175.510 -0.325 0.000 1.140 408 N CA -0.711 52.127 53.050 -0.354 0.000 0.788 408 N CB 0.952 39.360 38.487 -0.131 0.000 1.361 408 N HN 0.060 nan 8.380 nan 0.000 0.489 409 W N 0.835 122.186 121.300 0.085 0.000 2.218 409 W HA 0.312 4.972 4.660 -0.000 0.000 0.326 409 W C 0.989 177.596 176.519 0.147 0.000 1.276 409 W CA -0.353 57.052 57.345 0.101 0.000 1.210 409 W CB 0.611 30.119 29.460 0.079 0.000 1.143 409 W HN 0.549 nan 8.180 nan 0.000 0.563 410 S N 1.595 117.557 115.700 0.436 0.000 4.225 410 S HA 0.974 5.444 4.470 -0.000 0.000 0.215 410 S C 0.297 175.100 174.600 0.340 0.000 1.051 410 S CA -0.101 58.318 58.200 0.366 0.000 1.729 410 S CB 1.102 64.550 63.200 0.412 0.000 0.892 410 S HN 0.968 nan 8.310 nan 0.000 0.720 411 G N -0.703 108.305 108.800 0.347 0.000 2.441 411 G HA2 0.308 4.268 3.960 -0.000 0.000 0.222 411 G HA3 0.308 4.268 3.960 -0.000 0.000 0.222 411 G C -1.649 173.521 174.900 0.451 0.000 1.254 411 G CA -0.790 44.512 45.100 0.336 0.000 0.959 411 G HN 0.522 nan 8.290 nan 0.000 0.474 412 Y N 1.376 121.804 120.300 0.213 0.000 2.546 412 Y HA 0.483 5.033 4.550 -0.000 0.000 0.351 412 Y C 1.330 177.319 175.900 0.148 0.000 1.266 412 Y CA -0.124 58.105 58.100 0.214 0.000 1.487 412 Y CB 0.882 39.500 38.460 0.263 0.000 1.365 412 Y HN 0.926 nan 8.280 nan 0.000 0.642 413 S N -0.367 115.422 115.700 0.150 0.000 2.537 413 S HA 0.910 5.380 4.470 -0.000 0.000 0.270 413 S C -0.586 173.799 174.600 -0.358 0.000 1.142 413 S CA -0.345 57.706 58.200 -0.248 0.000 0.870 413 S CB 2.048 65.227 63.200 -0.035 0.000 1.112 413 S HN 1.053 nan 8.310 nan 0.000 0.466 414 G N -0.134 108.004 108.800 -1.103 0.000 2.660 414 G HA2 0.805 4.764 3.960 -0.000 0.000 0.290 414 G HA3 0.805 4.764 3.960 -0.000 0.000 0.290 414 G C -1.206 173.353 174.900 -0.568 0.000 1.432 414 G CA -0.361 44.424 45.100 -0.525 0.000 0.807 414 G HN 1.294 nan 8.290 nan 0.000 0.485 415 A N -0.487 122.240 122.820 -0.156 0.000 2.312 415 A HA 0.976 5.296 4.320 -0.000 0.000 0.328 415 A C -0.771 177.022 177.584 0.348 0.000 1.158 415 A CA -0.595 51.409 52.037 -0.056 0.000 0.821 415 A CB 0.695 19.599 19.000 -0.161 0.000 1.170 415 A HN 1.898 nan 8.150 nan 0.000 0.490 416 F N -0.602 119.474 119.950 0.209 0.000 2.668 416 F HA 0.844 5.371 4.527 -0.000 0.000 0.309 416 F C -1.421 174.449 175.800 0.118 0.000 1.117 416 F CA -1.370 56.752 58.000 0.203 0.000 0.951 416 F CB 1.044 40.149 39.000 0.175 0.000 1.323 416 F HN 0.420 nan 8.300 nan 0.000 0.451 417 I N 1.306 121.857 120.570 -0.031 0.000 2.686 417 I HA 0.248 4.417 4.170 -0.000 0.000 0.295 417 I C -1.401 174.527 176.117 -0.315 0.000 1.114 417 I CA -0.780 60.225 61.300 -0.491 0.000 1.038 417 I CB 2.133 39.518 38.000 -1.025 0.000 1.238 417 I HN 0.667 nan 8.210 nan 0.000 0.420 418 D N 4.442 124.742 120.400 -0.167 0.000 2.470 418 D HA 0.102 4.742 4.640 -0.000 0.000 0.226 418 D C 0.383 176.642 176.300 -0.068 0.000 1.196 418 D CA 0.159 54.215 54.000 0.094 0.000 0.979 418 D CB 0.211 41.107 40.800 0.161 0.000 1.059 418 D HN 0.292 nan 8.370 nan 0.000 0.515 419 Y N 1.243 121.442 120.300 -0.168 0.000 2.616 419 Y HA 0.004 4.554 4.550 -0.000 0.000 0.296 419 Y C 1.312 176.918 175.900 -0.490 0.000 1.154 419 Y CA 0.319 58.025 58.100 -0.658 0.000 1.325 419 Y CB 0.145 37.829 38.460 -1.293 0.000 1.007 419 Y HN 0.556 nan 8.280 nan 0.000 0.542 420 W N -0.354 121.073 121.300 0.210 0.000 3.132 420 W HA 0.513 5.173 4.660 -0.000 0.000 0.364 420 W C 0.771 177.368 176.519 0.130 0.000 1.129 420 W CA -0.335 57.112 57.345 0.171 0.000 1.815 420 W CB -0.362 29.162 29.460 0.105 0.000 1.099 420 W HN -0.148 nan 8.180 nan 0.000 0.605 421 A N 1.447 124.424 122.820 0.261 0.000 2.492 421 A HA -0.098 4.222 4.320 -0.000 0.000 0.236 421 A C 0.564 178.235 177.584 0.145 0.000 1.078 421 A CA 0.219 52.361 52.037 0.175 0.000 0.773 421 A CB -0.094 18.977 19.000 0.117 0.000 1.023 421 A HN 0.370 nan 8.150 nan 0.000 0.504 422 N N 1.084 119.845 118.700 0.103 0.000 2.968 422 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 422 N C -0.687 174.851 175.510 0.047 0.000 1.174 422 N CA -0.018 53.079 53.050 0.077 0.000 1.096 422 N CB -0.233 38.292 38.487 0.063 0.000 1.403 422 N HN 0.536 nan 8.380 nan 0.000 0.522 423 K N 1.100 121.525 120.400 0.043 0.000 2.533 423 K HA 0.150 4.470 4.320 -0.000 0.000 0.272 423 K C -0.293 176.292 176.600 -0.026 0.000 0.985 423 K CA -0.707 55.584 56.287 0.006 0.000 0.876 423 K CB 1.448 33.950 32.500 0.003 0.000 1.452 423 K HN 0.122 nan 8.250 nan 0.000 0.439 424 E N -0.112 120.055 120.200 -0.055 0.000 2.442 424 E HA 0.003 4.352 4.350 -0.000 0.000 0.195 424 E C 0.452 176.950 176.600 -0.170 0.000 1.030 424 E CA 0.250 56.596 56.400 -0.091 0.000 0.869 424 E CB -0.220 29.441 29.700 -0.066 0.000 0.857 424 E HN 0.556 nan 8.360 nan 0.000 0.505 425 c N -1.267 117.235 118.600 -0.163 0.000 2.971 425 c HA 0.715 5.284 4.570 -0.000 0.000 0.310 425 c C -0.615 173.379 174.090 -0.161 0.000 1.285 425 c CA -1.487 54.707 56.329 -0.225 0.000 1.593 425 c CB 0.410 42.847 42.510 -0.120 0.000 2.076 425 c HN -0.019 nan 8.230 nan 0.000 0.472 426 F N 2.320 122.254 119.950 -0.026 0.000 2.404 426 F HA 0.398 4.925 4.527 -0.000 0.000 0.358 426 F C 0.844 176.549 175.800 -0.158 0.000 1.120 426 F CA -0.593 57.354 58.000 -0.087 0.000 1.144 426 F CB 0.231 39.217 39.000 -0.024 0.000 1.133 426 F HN 0.723 nan 8.300 nan 0.000 0.495 427 N N 5.239 123.928 118.700 -0.018 0.000 2.414 427 N HA 0.251 4.990 4.740 -0.000 0.000 0.256 427 N C -2.652 172.671 175.510 -0.311 0.000 1.029 427 N CA -1.611 51.343 53.050 -0.161 0.000 0.948 427 N CB 1.027 39.438 38.487 -0.127 0.000 1.102 427 N HN 0.145 nan 8.380 nan 0.000 0.496 428 P HA -0.002 nan 4.420 nan 0.000 0.264 428 P C -0.664 176.346 177.300 -0.485 0.000 1.183 428 P CA -0.086 62.480 63.100 -0.890 0.000 0.763 428 P CB 0.497 31.265 31.700 -1.553 0.000 0.807 429 c N 3.508 121.802 118.600 -0.509 0.000 2.971 429 c HA 0.868 5.438 4.570 -0.000 0.000 0.310 429 c C -0.414 173.417 174.090 -0.432 0.000 1.285 429 c CA -0.281 55.671 56.329 -0.628 0.000 1.593 429 c CB 0.955 42.624 42.510 -1.402 0.000 2.076 429 c HN 0.681 nan 8.230 nan 0.000 0.472 430 F N -0.139 119.506 119.950 -0.508 0.000 2.713 430 F HA 0.785 5.312 4.527 -0.000 0.000 0.311 430 F C -1.265 174.485 175.800 -0.084 0.000 1.141 430 F CA -1.225 56.490 58.000 -0.475 0.000 0.939 430 F CB 0.799 39.128 39.000 -1.118 0.000 1.325 430 F HN 0.723 nan 8.300 nan 0.000 0.453 431 Y N -0.178 120.123 120.300 0.003 0.000 2.602 431 Y HA 0.906 5.456 4.550 -0.000 0.000 0.342 431 Y C -1.904 174.006 175.900 0.016 0.000 1.029 431 Y CA -1.937 56.133 58.100 -0.051 0.000 1.080 431 Y CB 1.671 40.136 38.460 0.008 0.000 1.284 431 Y HN 0.581 nan 8.280 nan 0.000 0.485 432 V N 1.712 121.698 119.914 0.121 0.000 2.531 432 V HA 0.286 4.405 4.120 -0.000 0.000 0.301 432 V C -0.607 175.637 176.094 0.249 0.000 1.034 432 V CA -0.998 61.320 62.300 0.030 0.000 0.865 432 V CB 1.495 33.254 31.823 -0.107 0.000 0.995 432 V HN 0.888 nan 8.190 nan 0.000 0.424 433 E N 4.807 125.197 120.200 0.318 0.000 2.289 433 E HA 0.430 4.779 4.350 -0.000 0.000 0.278 433 E C -1.288 175.451 176.600 0.231 0.000 1.032 433 E CA -0.536 56.039 56.400 0.292 0.000 0.854 433 E CB 1.016 30.909 29.700 0.322 0.000 1.046 433 E HN 0.654 nan 8.360 nan 0.000 0.409 434 L N 6.899 128.244 121.223 0.204 0.000 2.297 434 L HA 0.392 4.732 4.340 -0.000 0.000 0.277 434 L C -0.110 176.883 176.870 0.205 0.000 1.040 434 L CA -0.554 54.420 54.840 0.223 0.000 0.867 434 L CB 0.514 42.703 42.059 0.217 0.000 1.244 434 L HN 0.507 nan 8.230 nan 0.000 0.433 435 I N 3.669 124.360 120.570 0.202 0.000 2.471 435 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 435 I C 0.264 176.448 176.117 0.112 0.000 1.079 435 I CA -0.243 61.131 61.300 0.123 0.000 1.398 435 I CB 0.414 38.444 38.000 0.050 0.000 1.403 435 I HN 0.502 nan 8.210 nan 0.000 0.530 436 R N 4.086 124.654 120.500 0.114 0.000 2.778 436 R HA 0.773 5.113 4.340 -0.000 0.000 0.277 436 R C 0.311 176.549 176.300 -0.102 0.000 0.977 436 R CA -0.363 55.779 56.100 0.070 0.000 0.950 436 R CB 1.439 31.886 30.300 0.246 0.000 1.165 436 R HN 0.906 nan 8.270 nan 0.000 0.474 437 G N 1.653 110.187 108.800 -0.443 0.000 2.481 437 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.230 437 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.230 437 G C -0.728 173.884 174.900 -0.481 0.000 1.210 437 G CA -0.579 44.074 45.100 -0.745 0.000 0.936 437 G HN 0.505 nan 8.290 nan 0.000 0.583 438 R N 1.593 121.863 120.500 -0.384 0.000 2.641 438 R HA 0.348 4.688 4.340 -0.000 0.000 0.269 438 R C -1.175 174.986 176.300 -0.231 0.000 1.074 438 R CA -0.741 55.194 56.100 -0.276 0.000 1.133 438 R CB 0.923 31.107 30.300 -0.193 0.000 1.029 438 R HN 0.428 nan 8.270 nan 0.000 0.488 439 P HA -0.014 nan 4.420 nan 0.000 0.235 439 P C 0.247 177.381 177.300 -0.277 0.000 1.177 439 P CA 0.729 63.706 63.100 -0.205 0.000 0.785 439 P CB 0.391 32.007 31.700 -0.141 0.000 0.885 440 K N 0.669 120.806 120.400 -0.438 0.000 2.211 440 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 440 K C 0.679 177.016 176.600 -0.437 0.000 1.050 440 K CA 0.912 56.838 56.287 -0.603 0.000 0.945 440 K CB -0.119 31.520 32.500 -1.435 0.000 0.732 440 K HN 0.402 nan 8.250 nan 0.000 0.451 441 E N 0.892 120.836 120.200 -0.427 0.000 2.546 441 E HA 0.073 4.423 4.350 -0.000 0.000 0.227 441 E C 0.087 176.513 176.600 -0.290 0.000 1.009 441 E CA -0.194 56.034 56.400 -0.286 0.000 0.813 441 E CB 0.933 30.456 29.700 -0.296 0.000 1.269 441 E HN 0.070 nan 8.360 nan 0.000 0.432 442 S N 0.084 115.663 115.700 -0.202 0.000 2.603 442 S HA -0.106 4.364 4.470 -0.000 0.000 0.220 442 S C 1.756 176.259 174.600 -0.162 0.000 0.967 442 S CA 0.410 58.501 58.200 -0.182 0.000 0.920 442 S CB -0.065 63.061 63.200 -0.123 0.000 0.773 442 S HN 0.323 nan 8.310 nan 0.000 0.529 443 S N 1.015 116.623 115.700 -0.153 0.000 2.555 443 S HA 0.146 4.615 4.470 -0.000 0.000 0.230 443 S C 0.704 175.217 174.600 -0.145 0.000 0.978 443 S CA 0.135 58.271 58.200 -0.107 0.000 0.934 443 S CB -0.888 62.277 63.200 -0.058 0.000 0.766 443 S HN 0.796 nan 8.310 nan 0.000 0.533 444 V N -2.572 117.164 119.914 -0.297 0.000 3.113 444 V HA 0.634 4.754 4.120 -0.000 0.000 0.316 444 V C 0.675 176.532 176.094 -0.394 0.000 1.125 444 V CA -1.078 60.975 62.300 -0.412 0.000 1.026 444 V CB 1.247 32.508 31.823 -0.936 0.000 1.080 444 V HN 0.052 nan 8.190 nan 0.000 0.444 445 L N 1.512 122.576 121.223 -0.265 0.000 2.567 445 L HA 0.322 4.662 4.340 -0.000 0.000 0.225 445 L C 0.627 177.477 176.870 -0.033 0.000 1.119 445 L CA 0.293 55.078 54.840 -0.091 0.000 0.871 445 L CB -0.595 41.490 42.059 0.043 0.000 1.036 445 L HN 0.854 nan 8.230 nan 0.000 0.459 446 W N -1.796 119.473 121.300 -0.053 0.000 2.671 446 W HA 0.699 5.359 4.660 -0.000 0.000 0.360 446 W C -0.901 175.563 176.519 -0.091 0.000 1.128 446 W CA -0.818 56.490 57.345 -0.062 0.000 1.184 446 W CB 0.608 30.028 29.460 -0.068 0.000 1.415 446 W HN -0.310 nan 8.180 nan 0.000 0.604 447 T N 1.510 116.282 114.554 0.363 0.000 2.881 447 T HA 0.445 4.795 4.350 -0.000 0.000 0.290 447 T C -0.833 174.061 174.700 0.324 0.000 1.000 447 T CA -0.226 62.024 62.100 0.249 0.000 0.978 447 T CB 2.102 71.009 68.868 0.066 0.000 0.997 447 T HN 0.546 nan 8.240 nan 0.000 0.443 448 S N 2.182 118.081 115.700 0.331 0.000 2.929 448 S HA 0.819 5.289 4.470 -0.000 0.000 0.311 448 S C -1.708 172.966 174.600 0.123 0.000 1.213 448 S CA -0.674 57.609 58.200 0.140 0.000 0.908 448 S CB 1.233 64.413 63.200 -0.034 0.000 1.287 448 S HN 1.032 nan 8.310 nan 0.000 0.594 449 N N -0.778 117.964 118.700 0.070 0.000 3.046 449 N HA 0.593 5.333 4.740 -0.000 0.000 0.243 449 N C -1.183 174.375 175.510 0.080 0.000 1.452 449 N CA -0.226 52.881 53.050 0.095 0.000 0.882 449 N CB 1.331 39.874 38.487 0.093 0.000 1.425 449 N HN 0.696 nan 8.380 nan 0.000 0.517 450 S N -0.477 115.291 115.700 0.113 0.000 2.810 450 S HA 0.811 5.281 4.470 -0.000 0.000 0.315 450 S C -0.841 173.835 174.600 0.128 0.000 1.138 450 S CA -0.829 57.437 58.200 0.109 0.000 0.889 450 S CB 0.805 64.070 63.200 0.109 0.000 1.236 450 S HN 0.591 nan 8.310 nan 0.000 0.548 451 I N 0.368 121.007 120.570 0.116 0.000 2.730 451 I HA 0.700 4.870 4.170 -0.000 0.000 0.298 451 I C -1.220 174.931 176.117 0.056 0.000 1.089 451 I CA -1.113 60.245 61.300 0.097 0.000 1.041 451 I CB 2.178 40.211 38.000 0.055 0.000 1.235 451 I HN 0.536 nan 8.210 nan 0.000 0.423 452 V N 4.153 124.089 119.914 0.037 0.000 2.789 452 V HA 0.946 5.066 4.120 -0.000 0.000 0.311 452 V C -1.152 174.866 176.094 -0.126 0.000 1.073 452 V CA -0.177 62.083 62.300 -0.068 0.000 0.921 452 V CB 1.906 33.707 31.823 -0.036 0.000 1.009 452 V HN 0.900 nan 8.190 nan 0.000 0.426 453 A N 5.888 128.560 122.820 -0.248 0.000 2.486 453 A HA 0.968 5.287 4.320 -0.000 0.000 0.300 453 A C -1.926 175.377 177.584 -0.468 0.000 1.048 453 A CA -0.528 51.344 52.037 -0.276 0.000 0.696 453 A CB 1.783 20.770 19.000 -0.020 0.000 1.278 453 A HN 0.852 nan 8.150 nan 0.000 0.405 454 L N 0.173 120.951 121.223 -0.741 0.000 2.376 454 L HA 0.754 5.094 4.340 -0.000 0.000 0.258 454 L C -0.511 176.026 176.870 -0.555 0.000 1.013 454 L CA -0.186 54.250 54.840 -0.674 0.000 0.822 454 L CB 2.143 43.839 42.059 -0.605 0.000 1.388 454 L HN 0.818 nan 8.230 nan 0.000 0.413 455 c N -0.241 118.061 118.600 -0.497 0.000 2.848 455 c HA 0.844 5.414 4.570 -0.000 0.000 0.317 455 c C 0.668 174.660 174.090 -0.163 0.000 1.260 455 c CA -0.921 55.240 56.329 -0.280 0.000 1.656 455 c CB 1.751 44.048 42.510 -0.355 0.000 2.174 455 c HN 0.942 nan 8.230 nan 0.000 0.479 456 G N 0.881 109.485 108.800 -0.327 0.000 2.569 456 G HA2 0.477 4.437 3.960 -0.000 0.000 0.249 456 G HA3 0.477 4.437 3.960 -0.000 0.000 0.249 456 G C -0.445 174.267 174.900 -0.314 0.000 1.216 456 G CA 0.209 44.856 45.100 -0.754 0.000 0.845 456 G HN 0.863 nan 8.290 nan 0.000 0.568 457 S N -0.554 114.918 115.700 -0.379 0.000 2.549 457 S HA 0.373 4.843 4.470 -0.000 0.000 0.280 457 S C 0.794 175.273 174.600 -0.202 0.000 1.109 457 S CA -0.754 57.341 58.200 -0.176 0.000 0.905 457 S CB 1.928 65.091 63.200 -0.061 0.000 1.081 457 S HN 0.642 nan 8.310 nan 0.000 0.477 458 K N 1.803 122.129 120.400 -0.125 0.000 2.365 458 K HA 0.138 4.458 4.320 -0.000 0.000 0.197 458 K C 0.333 176.904 176.600 -0.049 0.000 1.042 458 K CA 0.480 56.717 56.287 -0.082 0.000 0.987 458 K CB 0.050 32.511 32.500 -0.064 0.000 0.779 458 K HN 0.409 nan 8.250 nan 0.000 0.484 459 K N 0.988 121.359 120.400 -0.049 0.000 2.118 459 K HA 0.032 4.352 4.320 -0.000 0.000 0.240 459 K C 0.063 176.660 176.600 -0.006 0.000 1.035 459 K CA -0.274 55.999 56.287 -0.023 0.000 0.899 459 K CB 0.743 33.229 32.500 -0.023 0.000 1.085 459 K HN 0.083 nan 8.250 nan 0.000 0.498 460 R N 1.512 122.021 120.500 0.015 0.000 2.471 460 R HA 0.268 4.608 4.340 -0.000 0.000 0.292 460 R C -0.717 175.610 176.300 0.045 0.000 1.192 460 R CA -0.240 55.885 56.100 0.041 0.000 1.257 460 R CB -0.403 29.924 30.300 0.046 0.000 1.130 460 R HN 0.394 nan 8.270 nan 0.000 0.558 461 L N 2.892 124.150 121.223 0.057 0.000 2.350 461 L HA 0.473 4.813 4.340 -0.000 0.000 0.275 461 L C 1.193 178.119 176.870 0.092 0.000 1.099 461 L CA -0.692 54.189 54.840 0.068 0.000 0.808 461 L CB 1.357 43.471 42.059 0.091 0.000 1.149 461 L HN 0.719 nan 8.230 nan 0.000 0.442 462 G N 1.366 110.204 108.800 0.064 0.000 2.667 462 G HA2 0.425 4.385 3.960 -0.000 0.000 0.250 462 G HA3 0.425 4.385 3.960 -0.000 0.000 0.250 462 G C -0.290 174.671 174.900 0.103 0.000 1.212 462 G CA -0.072 45.065 45.100 0.062 0.000 0.874 462 G HN 0.707 nan 8.290 nan 0.000 0.561 463 S N -0.807 114.962 115.700 0.116 0.000 2.607 463 S HA 0.803 5.273 4.470 -0.000 0.000 0.273 463 S C -1.243 173.484 174.600 0.212 0.000 1.148 463 S CA -0.790 57.537 58.200 0.211 0.000 0.833 463 S CB 2.026 65.413 63.200 0.313 0.000 1.130 463 S HN 1.490 nan 8.310 nan 0.000 0.470 464 W N -0.289 120.966 121.300 -0.075 0.000 3.003 464 W HA 0.788 5.448 4.660 -0.000 0.000 0.362 464 W C -0.782 175.559 176.519 -0.298 0.000 1.213 464 W CA -1.317 55.917 57.345 -0.186 0.000 1.157 464 W CB 0.517 29.823 29.460 -0.255 0.000 1.493 464 W HN 0.832 nan 8.180 nan 0.000 0.589 465 S N 0.176 115.790 115.700 -0.144 0.000 2.528 465 S HA 0.306 4.776 4.470 -0.000 0.000 0.277 465 S C -1.024 173.300 174.600 -0.461 0.000 1.297 465 S CA -0.200 57.946 58.200 -0.090 0.000 1.052 465 S CB -0.019 63.258 63.200 0.129 0.000 0.917 465 S HN 0.382 nan 8.310 nan 0.000 0.492 466 W N 5.201 126.481 121.300 -0.033 0.000 2.102 466 W HA 0.281 4.941 4.660 -0.000 0.000 0.357 466 W C 0.660 177.098 176.519 -0.135 0.000 0.717 466 W CA -0.912 56.331 57.345 -0.171 0.000 2.518 466 W CB -0.470 28.976 29.460 -0.023 0.000 2.010 466 W HN 0.813 nan 8.180 nan 0.000 0.672 467 H N -2.394 116.720 119.070 0.074 0.000 2.767 467 H HA 0.036 4.591 4.556 -0.000 0.000 0.380 467 H C 1.356 176.750 175.328 0.110 0.000 1.409 467 H CA 0.341 56.442 56.048 0.088 0.000 1.463 467 H CB 0.838 30.608 29.762 0.014 0.000 1.514 467 H HN 0.087 nan 8.280 nan 0.000 0.619 468 D N -0.196 120.340 120.400 0.228 0.000 2.092 468 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 468 D C 1.864 178.249 176.300 0.141 0.000 0.994 468 D CA 2.873 56.982 54.000 0.181 0.000 0.828 468 D CB -0.552 40.382 40.800 0.223 0.000 0.963 468 D HN 0.971 nan 8.370 nan 0.000 0.450 469 G N -0.972 107.951 108.800 0.205 0.000 2.176 469 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.253 469 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.253 469 G C 0.383 175.392 174.900 0.181 0.000 0.979 469 G CA 0.550 45.751 45.100 0.169 0.000 0.641 469 G HN 0.776 nan 8.290 nan 0.000 0.530 470 A N 0.054 123.008 122.820 0.223 0.000 2.322 470 A HA 0.643 4.963 4.320 -0.000 0.000 0.269 470 A C 0.293 178.016 177.584 0.230 0.000 1.094 470 A CA -0.161 52.047 52.037 0.286 0.000 0.807 470 A CB 0.458 19.703 19.000 0.408 0.000 1.047 470 A HN 0.222 nan 8.150 nan 0.000 0.487 471 E N 1.918 122.220 120.200 0.170 0.000 2.081 471 E HA 0.155 4.505 4.350 -0.000 0.000 0.281 471 E C 0.504 177.177 176.600 0.122 0.000 0.986 471 E CA -0.404 55.961 56.400 -0.058 0.000 0.796 471 E CB 1.343 30.657 29.700 -0.643 0.000 1.085 471 E HN 0.604 nan 8.360 nan 0.000 0.398 472 I N 3.650 124.322 120.570 0.170 0.000 2.423 472 I HA -0.264 3.905 4.170 -0.000 0.000 0.254 472 I C 1.578 177.838 176.117 0.239 0.000 1.151 472 I CA 0.893 62.353 61.300 0.266 0.000 1.421 472 I CB 0.091 38.156 38.000 0.107 0.000 1.079 472 I HN 0.497 nan 8.210 nan 0.000 0.431 473 I N -0.215 120.386 120.570 0.052 0.000 2.335 473 I HA -0.329 3.841 4.170 -0.000 0.000 0.251 473 I C 2.231 178.445 176.117 0.161 0.000 1.129 473 I CA 1.661 62.988 61.300 0.044 0.000 1.402 473 I CB -1.664 36.296 38.000 -0.066 0.000 1.069 473 I HN 0.353 nan 8.210 nan 0.000 0.424 474 Y N -1.025 119.342 120.300 0.113 0.000 2.497 474 Y HA -0.173 4.377 4.550 -0.000 0.000 0.292 474 Y C 1.974 177.813 175.900 -0.100 0.000 1.137 474 Y CA 0.245 58.323 58.100 -0.037 0.000 1.285 474 Y CB -0.231 38.141 38.460 -0.147 0.000 0.991 474 Y HN 0.021 nan 8.280 nan 0.000 0.556 475 F N -0.158 119.960 119.950 0.280 0.000 2.727 475 F HA 0.115 4.641 4.527 -0.000 0.000 0.302 475 F C 0.893 176.807 175.800 0.190 0.000 1.097 475 F CA -0.207 57.957 58.000 0.274 0.000 1.330 475 F CB 0.101 39.360 39.000 0.432 0.000 1.084 475 F HN -0.053 nan 8.300 nan 0.000 0.578 476 E N 0.000 120.362 120.200 0.270 0.000 2.725 476 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 476 E CA 0.000 56.498 56.400 0.163 0.000 0.976 476 E CB 0.000 29.770 29.700 0.116 0.000 0.812 476 E HN 0.000 nan 8.360 nan 0.000 0.440