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 1s78_1_B DATA FIRST_RESID 1 DATA SEQUENCE TQVcTGTDMK LRLPASPETH LDMLRHLYQG cQVVQGNLEL TYLPTNASLS DATA SEQUENCE FLQDIQEVQG YVLIAHNQVR QVPLQRLRIV RGTQLFEDNY ALAVLDNGDP DATA SEQUENCE LXXXXXXXXX SPGGLRELQL RSLTEILKGG VLIQRNPQLc YQDTILWKDI DATA SEQUENCE FHKNNQLALT LIDTNRSRAc HPcSPMcKGS RcWGESSEDc QSLTRTVcAG DATA SEQUENCE GcARcKGPLP TDccHEQcAA GcTGPKHSDc LAcLHFNHSG IcELHcPALV DATA SEQUENCE TYNTDTFESM PNPEGRYTFG AScVTAcPYN YLSTDVGScT LVcPLHNQEV DATA SEQUENCE TAEDGTQRcE KcSKPcARVc YGLGMEHLRE VRAVTSANIQ EFAGcKKIFG DATA SEQUENCE SLAFLPESFD GDPASNTAPL QPEQLQVFET LEEITGYLYI SAWPDSLPDL DATA SEQUENCE SVFQNLQVIR GRILHNGAYS LTLQGLGISW LGLRSLRELG SGLALIHHNT DATA SEQUENCE HLcFVHTVPW DQLFRNPHQA LLHTANRPED EcVGEGLAcH QLcARGHcWG DATA SEQUENCE PGPTQcVNcS QFLRGQEcVE EcRVLQGLPR EYVNARHcLP cHPEcQPQNG DATA SEQUENCE SVTcFGPEAD QcVAcAHYKD PPFcVAR 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.772 174.700 0.120 0.000 1.109 1 T CA 0.000 62.137 62.100 0.061 0.000 1.349 1 T CB 0.000 68.886 68.868 0.030 0.000 0.612 2 Q N 1.436 121.303 119.800 0.112 0.000 2.354 2 Q HA 0.295 4.635 4.340 0.000 0.000 0.203 2 Q C 0.397 176.474 176.000 0.129 0.000 0.933 2 Q CA 0.371 56.241 55.803 0.111 0.000 0.901 2 Q CB 0.339 29.125 28.738 0.080 0.000 1.007 2 Q HN 0.411 nan 8.270 nan 0.000 0.495 3 V N 2.183 122.188 119.914 0.152 0.000 2.459 3 V HA 0.483 4.603 4.120 0.000 0.000 0.295 3 V C -0.089 176.078 176.094 0.120 0.000 1.029 3 V CA -1.027 61.358 62.300 0.140 0.000 0.874 3 V CB 1.205 33.139 31.823 0.186 0.000 0.985 3 V HN 0.545 nan 8.190 nan 0.000 0.438 4 c N 1.399 120.018 118.600 0.032 0.000 3.090 4 c HA 0.819 5.389 4.570 0.000 0.000 0.305 4 c C 0.026 174.081 174.090 -0.059 0.000 1.292 4 c CA -0.600 55.658 56.329 -0.119 0.000 1.482 4 c CB 1.286 43.517 42.510 -0.465 0.000 1.897 4 c HN 0.768 nan 8.230 nan 0.000 0.469 5 T N 2.300 116.799 114.554 -0.093 0.000 2.771 5 T HA 0.598 4.948 4.350 0.000 0.000 0.291 5 T C 0.832 175.474 174.700 -0.097 0.000 0.954 5 T CA 0.387 62.461 62.100 -0.042 0.000 1.045 5 T CB 1.070 69.935 68.868 -0.006 0.000 0.917 5 T HN 1.229 nan 8.240 nan 0.000 0.484 6 G N 2.333 111.132 108.800 -0.001 0.000 2.553 6 G HA2 0.510 4.470 3.960 0.000 0.000 0.278 6 G HA3 0.510 4.470 3.960 0.000 0.000 0.278 6 G C 0.235 175.126 174.900 -0.015 0.000 1.349 6 G CA -0.680 44.460 45.100 0.066 0.000 1.037 6 G HN 0.792 nan 8.290 nan 0.000 0.508 7 T N -2.737 111.836 114.554 0.031 0.000 2.897 7 T HA 0.511 4.861 4.350 0.000 0.000 0.278 7 T C -0.942 173.762 174.700 0.007 0.000 0.981 7 T CA -0.504 61.596 62.100 0.000 0.000 0.973 7 T CB 2.045 70.943 68.868 0.050 0.000 1.092 7 T HN 0.393 nan 8.240 nan 0.000 0.543 8 D N 0.469 120.881 120.400 0.020 0.000 2.621 8 D HA 0.260 4.900 4.640 0.000 0.000 0.274 8 D C 0.599 176.937 176.300 0.063 0.000 1.215 8 D CA -0.518 53.516 54.000 0.057 0.000 0.810 8 D CB 0.071 40.894 40.800 0.038 0.000 1.248 8 D HN 0.658 nan 8.370 nan 0.000 0.517 9 M N -0.482 119.190 119.600 0.120 0.000 2.296 9 M HA 0.368 4.848 4.480 0.000 0.000 0.291 9 M C 0.548 176.956 176.300 0.180 0.000 1.013 9 M CA -0.165 55.206 55.300 0.118 0.000 1.089 9 M CB 0.303 32.983 32.600 0.132 0.000 1.677 9 M HN -0.086 nan 8.290 nan 0.000 0.584 10 K N 1.281 121.839 120.400 0.263 0.000 1.939 10 K HA -0.183 4.137 4.320 0.000 0.000 0.165 10 K C 0.677 177.459 176.600 0.303 0.000 1.508 10 K CA 2.239 58.730 56.287 0.340 0.000 0.525 10 K CB -1.524 31.154 32.500 0.298 0.000 0.615 10 K HN 0.403 nan 8.250 nan 0.000 0.888 11 L N 0.686 122.093 121.223 0.308 0.000 2.591 11 L HA 0.102 4.442 4.340 0.000 0.000 0.228 11 L C 0.842 177.892 176.870 0.299 0.000 1.133 11 L CA 0.020 55.051 54.840 0.318 0.000 0.880 11 L CB -0.187 42.061 42.059 0.316 0.000 1.033 11 L HN 0.254 nan 8.230 nan 0.000 0.450 12 R N 1.432 122.048 120.500 0.193 0.000 2.638 12 R HA 0.105 4.445 4.340 0.000 0.000 0.268 12 R C -0.403 175.912 176.300 0.024 0.000 1.006 12 R CA -0.141 56.011 56.100 0.087 0.000 1.088 12 R CB 0.350 30.684 30.300 0.058 0.000 0.950 12 R HN 0.062 nan 8.270 nan 0.000 0.419 13 L N 2.049 123.162 121.223 -0.183 0.000 2.357 13 L HA 0.571 4.911 4.340 0.000 0.000 0.273 13 L C -2.189 174.468 176.870 -0.355 0.000 1.080 13 L CA -2.380 52.128 54.840 -0.554 0.000 0.803 13 L CB 0.205 41.687 42.059 -0.961 0.000 1.174 13 L HN 0.373 nan 8.230 nan 0.000 0.443 14 P HA 0.132 nan 4.420 nan 0.000 0.263 14 P C 0.375 177.572 177.300 -0.172 0.000 1.195 14 P CA 0.102 63.044 63.100 -0.263 0.000 0.762 14 P CB 1.207 32.623 31.700 -0.473 0.000 0.799 15 A N 2.897 125.670 122.820 -0.079 0.000 2.019 15 A HA -0.048 4.272 4.320 0.000 0.000 0.219 15 A C 1.151 178.644 177.584 -0.152 0.000 1.164 15 A CA 1.622 53.628 52.037 -0.052 0.000 0.644 15 A CB -0.414 18.621 19.000 0.059 0.000 0.805 15 A HN 0.542 nan 8.150 nan 0.000 0.449 16 S N -1.315 114.233 115.700 -0.254 0.000 2.746 16 S HA 0.532 5.002 4.470 0.000 0.000 0.273 16 S C -2.374 172.146 174.600 -0.134 0.000 1.172 16 S CA -1.142 56.860 58.200 -0.330 0.000 1.116 16 S CB 1.630 64.339 63.200 -0.818 0.000 1.057 16 S HN 0.017 nan 8.310 nan 0.000 0.483 17 P HA 0.027 nan 4.420 nan 0.000 0.219 17 P C 0.853 178.178 177.300 0.043 0.000 1.150 17 P CA 0.886 63.973 63.100 -0.022 0.000 0.814 17 P CB 0.148 31.823 31.700 -0.042 0.000 0.787 18 E N -0.655 119.552 120.200 0.013 0.000 2.153 18 E HA -0.114 4.236 4.350 0.000 0.000 0.194 18 E C 1.480 178.089 176.600 0.015 0.000 0.988 18 E CA 1.769 58.179 56.400 0.016 0.000 0.811 18 E CB -0.865 28.833 29.700 -0.003 0.000 0.746 18 E HN 0.352 nan 8.360 nan 0.000 0.466 19 T N -2.702 111.855 114.554 0.005 0.000 3.134 19 T HA 0.111 4.461 4.350 0.000 0.000 0.260 19 T C 1.224 175.973 174.700 0.082 0.000 1.027 19 T CA -0.171 61.936 62.100 0.010 0.000 0.913 19 T CB -0.001 68.842 68.868 -0.041 0.000 1.046 19 T HN 0.124 nan 8.240 nan 0.000 0.553 20 H N 1.259 120.345 119.070 0.026 0.000 2.326 20 H HA 0.207 4.763 4.556 0.000 0.000 0.301 20 H C 1.841 177.225 175.328 0.093 0.000 1.081 20 H CA 1.354 57.445 56.048 0.073 0.000 1.334 20 H CB -0.367 29.442 29.762 0.077 0.000 1.385 20 H HN 0.316 nan 8.280 nan 0.000 0.504 21 L N -0.087 121.133 121.223 -0.006 0.000 2.056 21 L HA -0.147 4.193 4.340 0.000 0.000 0.207 21 L C 1.811 178.635 176.870 -0.077 0.000 1.078 21 L CA 1.926 56.750 54.840 -0.027 0.000 0.749 21 L CB -0.387 41.724 42.059 0.088 0.000 0.901 21 L HN 0.345 nan 8.230 nan 0.000 0.433 22 D N -0.391 119.989 120.400 -0.034 0.000 2.144 22 D HA -0.255 4.385 4.640 0.000 0.000 0.199 22 D C 2.181 178.490 176.300 0.015 0.000 0.984 22 D CA 1.004 54.995 54.000 -0.014 0.000 0.834 22 D CB -0.000 40.824 40.800 0.040 0.000 0.955 22 D HN 0.187 nan 8.370 nan 0.000 0.465 23 M N -0.253 119.329 119.600 -0.029 0.000 2.117 23 M HA -0.167 4.313 4.480 0.000 0.000 0.262 23 M C 1.551 177.748 176.300 -0.173 0.000 1.065 23 M CA 1.050 56.311 55.300 -0.064 0.000 1.114 23 M CB -0.286 32.315 32.600 0.002 0.000 1.361 23 M HN 0.053 nan 8.290 nan 0.000 0.408 24 L N 0.365 121.460 121.223 -0.213 0.000 2.056 24 L HA -0.121 4.219 4.340 0.000 0.000 0.207 24 L C 2.634 179.172 176.870 -0.554 0.000 1.078 24 L CA 1.659 56.401 54.840 -0.163 0.000 0.749 24 L CB -1.323 40.782 42.059 0.076 0.000 0.901 24 L HN 0.363 nan 8.230 nan 0.000 0.433 25 R N -1.265 118.609 120.500 -1.042 0.000 2.097 25 R HA -0.198 4.142 4.340 0.000 0.000 0.236 25 R C 2.388 178.275 176.300 -0.687 0.000 1.135 25 R CA 1.643 56.831 56.100 -1.520 0.000 0.934 25 R CB -0.313 29.426 30.300 -0.935 0.000 0.846 25 R HN 0.455 nan 8.270 nan 0.000 0.431 26 H N -0.201 118.629 119.070 -0.399 0.000 2.422 26 H HA -0.153 4.403 4.556 0.000 0.000 0.298 26 H C 2.084 177.313 175.328 -0.165 0.000 1.098 26 H CA 1.472 57.383 56.048 -0.228 0.000 1.315 26 H CB 0.100 29.739 29.762 -0.206 0.000 1.382 26 H HN 0.156 nan 8.280 nan 0.000 0.523 27 L N -0.332 120.744 121.223 -0.244 0.000 2.005 27 L HA -0.158 4.182 4.340 0.000 0.000 0.207 27 L C 1.687 178.222 176.870 -0.558 0.000 1.072 27 L CA 1.716 56.232 54.840 -0.540 0.000 0.744 27 L CB -0.568 40.903 42.059 -0.980 0.000 0.895 27 L HN 0.228 nan 8.230 nan 0.000 0.433 28 Y N -2.323 117.960 120.300 -0.030 0.000 2.444 28 Y HA 0.215 4.765 4.550 0.000 0.000 0.249 28 Y C 0.954 176.965 175.900 0.186 0.000 1.134 28 Y CA -0.678 57.466 58.100 0.074 0.000 1.261 28 Y CB 0.036 38.606 38.460 0.184 0.000 1.143 28 Y HN 0.088 nan 8.280 nan 0.000 0.523 29 Q N 1.366 121.314 119.800 0.246 0.000 2.339 29 Q HA 0.128 4.468 4.340 0.000 0.000 0.308 29 Q C 1.242 177.368 176.000 0.209 0.000 1.097 29 Q CA 1.380 57.297 55.803 0.191 0.000 1.007 29 Q CB -0.049 28.692 28.738 0.004 0.000 1.051 29 Q HN 0.594 nan 8.270 nan 0.000 0.381 30 G N 2.848 111.754 108.800 0.176 0.000 2.203 30 G HA2 -0.341 3.619 3.960 0.000 0.000 0.263 30 G HA3 -0.341 3.619 3.960 0.000 0.000 0.263 30 G C 0.133 175.135 174.900 0.169 0.000 1.012 30 G CA 0.183 45.362 45.100 0.131 0.000 0.749 30 G HN 0.946 nan 8.290 nan 0.000 0.512 31 c N -0.350 118.383 118.600 0.222 0.000 2.358 31 c HA 0.806 5.376 4.570 0.000 0.000 0.342 31 c C 1.400 175.566 174.090 0.127 0.000 1.234 31 c CA 0.253 56.702 56.329 0.199 0.000 1.969 31 c CB 1.420 44.041 42.510 0.185 0.000 2.346 31 c HN 0.579 nan 8.230 nan 0.000 0.525 32 Q N 3.014 122.870 119.800 0.093 0.000 2.511 32 Q HA 0.236 4.576 4.340 0.000 0.000 0.236 32 Q C -0.162 175.858 176.000 0.034 0.000 0.893 32 Q CA 0.316 56.149 55.803 0.051 0.000 0.947 32 Q CB 0.314 29.077 28.738 0.042 0.000 1.110 32 Q HN 0.623 nan 8.270 nan 0.000 0.591 33 V N 2.191 122.133 119.914 0.046 0.000 2.398 33 V HA 0.282 4.402 4.120 0.000 0.000 0.286 33 V C -0.360 175.756 176.094 0.037 0.000 1.026 33 V CA -0.652 61.664 62.300 0.028 0.000 0.868 33 V CB 1.905 33.745 31.823 0.029 0.000 0.982 33 V HN -0.028 nan 8.190 nan 0.000 0.443 34 V N 5.412 125.337 119.914 0.019 0.000 2.275 34 V HA 0.267 4.387 4.120 0.000 0.000 0.272 34 V C 0.139 176.235 176.094 0.003 0.000 1.028 34 V CA -0.676 61.649 62.300 0.042 0.000 0.810 34 V CB 1.130 32.986 31.823 0.056 0.000 1.043 34 V HN 0.855 nan 8.190 nan 0.000 0.453 35 Q N 3.277 123.075 119.800 -0.004 0.000 2.255 35 Q HA 0.406 4.746 4.340 0.000 0.000 0.280 35 Q C 0.969 176.960 176.000 -0.015 0.000 1.068 35 Q CA 1.110 56.895 55.803 -0.030 0.000 0.911 35 Q CB 0.940 29.664 28.738 -0.023 0.000 1.157 35 Q HN 1.066 nan 8.270 nan 0.000 0.380 36 G N 3.752 112.530 108.800 -0.036 0.000 2.508 36 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 36 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 36 G C -0.757 174.071 174.900 -0.120 0.000 1.287 36 G CA -0.678 44.389 45.100 -0.055 0.000 0.916 36 G HN 0.650 nan 8.290 nan 0.000 0.574 37 N N 0.279 118.860 118.700 -0.197 0.000 2.400 37 N HA 0.475 5.215 4.740 0.000 0.000 0.288 37 N C -0.658 174.727 175.510 -0.208 0.000 1.024 37 N CA -0.570 52.238 53.050 -0.403 0.000 0.894 37 N CB 2.228 40.121 38.487 -0.990 0.000 1.173 37 N HN 0.663 nan 8.380 nan 0.000 0.487 38 L N 1.975 123.079 121.223 -0.197 0.000 2.363 38 L HA 0.188 4.528 4.340 0.000 0.000 0.286 38 L C -0.185 176.630 176.870 -0.093 0.000 1.106 38 L CA 0.187 54.930 54.840 -0.161 0.000 0.859 38 L CB -0.295 41.612 42.059 -0.254 0.000 1.223 38 L HN 0.413 nan 8.230 nan 0.000 0.446 39 E N 6.472 126.680 120.200 0.012 0.000 2.114 39 E HA 0.366 4.716 4.350 0.000 0.000 0.266 39 E C -1.146 175.523 176.600 0.116 0.000 0.896 39 E CA -0.356 56.099 56.400 0.091 0.000 0.750 39 E CB 1.307 31.103 29.700 0.160 0.000 1.121 39 E HN 0.543 nan 8.360 nan 0.000 0.413 40 L N 3.596 124.860 121.223 0.067 0.000 2.313 40 L HA 0.371 4.711 4.340 0.000 0.000 0.273 40 L C -0.128 176.801 176.870 0.099 0.000 1.028 40 L CA -0.534 54.358 54.840 0.087 0.000 0.871 40 L CB 0.785 42.844 42.059 -0.001 0.000 1.242 40 L HN 0.485 nan 8.230 nan 0.000 0.434 41 T N -2.396 112.290 114.554 0.218 0.000 2.900 41 T HA 0.553 4.903 4.350 0.000 0.000 0.295 41 T C -0.057 174.822 174.700 0.298 0.000 1.044 41 T CA -0.547 61.633 62.100 0.133 0.000 0.995 41 T CB 1.233 70.178 68.868 0.128 0.000 1.072 41 T HN 0.503 nan 8.240 nan 0.000 0.473 42 Y N -0.602 119.791 120.300 0.154 0.000 4.366 42 Y HA -0.167 4.383 4.550 0.000 0.000 0.236 42 Y C 0.144 176.133 175.900 0.149 0.000 1.142 42 Y CA -0.265 57.894 58.100 0.097 0.000 2.024 42 Y CB -2.235 36.195 38.460 -0.051 0.000 1.621 42 Y HN 0.656 nan 8.280 nan 0.000 0.694 43 L N 3.617 124.980 121.223 0.234 0.000 2.313 43 L HA 0.295 4.635 4.340 0.000 0.000 0.282 43 L C -1.602 175.348 176.870 0.133 0.000 1.092 43 L CA -1.830 53.128 54.840 0.197 0.000 0.831 43 L CB 0.439 42.582 42.059 0.140 0.000 1.159 43 L HN -0.160 nan 8.230 nan 0.000 0.442 44 P HA 0.002 nan 4.420 nan 0.000 0.273 44 P C 0.659 177.999 177.300 0.066 0.000 1.250 44 P CA -0.374 62.782 63.100 0.094 0.000 0.793 44 P CB 0.733 32.488 31.700 0.091 0.000 1.011 45 T N -0.136 114.448 114.554 0.051 0.000 2.778 45 T HA -0.127 4.223 4.350 0.000 0.000 0.269 45 T C 1.389 176.106 174.700 0.029 0.000 1.050 45 T CA 1.931 64.052 62.100 0.035 0.000 1.137 45 T CB -0.662 68.224 68.868 0.030 0.000 0.860 45 T HN 0.576 nan 8.240 nan 0.000 0.468 46 N N 0.200 118.921 118.700 0.035 0.000 2.348 46 N HA 0.205 4.945 4.740 0.000 0.000 0.183 46 N C 0.815 176.344 175.510 0.032 0.000 1.094 46 N CA 0.172 53.239 53.050 0.029 0.000 0.885 46 N CB 0.016 38.521 38.487 0.030 0.000 1.065 46 N HN 0.294 nan 8.380 nan 0.000 0.472 47 A N 2.063 124.911 122.820 0.045 0.000 2.589 47 A HA -0.041 4.279 4.320 0.000 0.000 0.259 47 A C 0.637 178.240 177.584 0.033 0.000 1.000 47 A CA 0.432 52.504 52.037 0.058 0.000 0.847 47 A CB -0.372 18.676 19.000 0.079 0.000 0.885 47 A HN 0.385 nan 8.150 nan 0.000 0.508 48 S N 2.996 118.725 115.700 0.048 0.000 2.414 48 S HA 0.344 4.814 4.470 0.000 0.000 0.290 48 S C 0.480 175.069 174.600 -0.018 0.000 1.160 48 S CA -0.551 57.662 58.200 0.021 0.000 1.069 48 S CB -0.487 62.743 63.200 0.049 0.000 1.012 48 S HN 0.580 nan 8.310 nan 0.000 0.510 49 L N 5.033 126.147 121.223 -0.182 0.000 2.791 49 L HA 0.187 4.527 4.340 0.000 0.000 0.239 49 L C 2.263 178.763 176.870 -0.617 0.000 1.203 49 L CA -0.027 54.481 54.840 -0.554 0.000 1.002 49 L CB -0.381 41.419 42.059 -0.431 0.000 1.295 49 L HN 0.818 nan 8.230 nan 0.000 0.504 50 S N 1.654 117.181 115.700 -0.287 0.000 2.407 50 S HA -0.272 4.198 4.470 0.000 0.000 0.235 50 S C 1.913 176.423 174.600 -0.150 0.000 1.036 50 S CA 1.707 59.811 58.200 -0.159 0.000 1.013 50 S CB -0.576 62.606 63.200 -0.029 0.000 0.820 50 S HN 0.609 nan 8.310 nan 0.000 0.476 51 F N 0.996 120.944 119.950 -0.004 0.000 2.494 51 F HA 0.269 4.796 4.527 0.000 0.000 0.298 51 F C 1.543 177.357 175.800 0.023 0.000 1.106 51 F CA 0.247 58.255 58.000 0.013 0.000 1.452 51 F CB -0.694 38.319 39.000 0.022 0.000 1.085 51 F HN 0.171 nan 8.300 nan 0.000 0.569 52 L N 0.810 121.863 121.223 -0.282 0.000 2.509 52 L HA 0.000 4.340 4.340 0.000 0.000 0.222 52 L C 2.164 178.966 176.870 -0.113 0.000 1.123 52 L CA 0.340 55.074 54.840 -0.176 0.000 0.856 52 L CB -0.734 41.122 42.059 -0.338 0.000 0.985 52 L HN 0.280 nan 8.230 nan 0.000 0.456 53 Q N -1.005 118.736 119.800 -0.097 0.000 2.591 53 Q HA -0.134 4.206 4.340 0.000 0.000 0.219 53 Q C 0.362 176.337 176.000 -0.042 0.000 0.981 53 Q CA 0.970 56.727 55.803 -0.076 0.000 0.945 53 Q CB -0.154 28.545 28.738 -0.065 0.000 0.985 53 Q HN 0.275 nan 8.270 nan 0.000 0.542 54 D N -0.029 120.362 120.400 -0.015 0.000 2.469 54 D HA 0.227 4.867 4.640 0.000 0.000 0.213 54 D C -0.312 175.988 176.300 0.001 0.000 1.135 54 D CA -0.166 53.837 54.000 0.005 0.000 0.834 54 D CB 0.516 41.342 40.800 0.043 0.000 1.009 54 D HN 0.278 nan 8.370 nan 0.000 0.507 55 I N 1.717 122.272 120.570 -0.026 0.000 2.452 55 I HA 0.027 4.197 4.170 0.000 0.000 0.287 55 I C 1.518 177.603 176.117 -0.054 0.000 1.079 55 I CA 0.268 61.544 61.300 -0.039 0.000 1.387 55 I CB 1.099 39.044 38.000 -0.091 0.000 1.404 55 I HN -0.207 nan 8.210 nan 0.000 0.522 56 Q N 4.240 124.017 119.800 -0.038 0.000 2.390 56 Q HA 0.165 4.505 4.340 0.000 0.000 0.216 56 Q C 0.303 176.274 176.000 -0.049 0.000 0.916 56 Q CA 0.441 56.217 55.803 -0.044 0.000 0.911 56 Q CB 0.829 29.551 28.738 -0.027 0.000 1.035 56 Q HN 0.622 nan 8.270 nan 0.000 0.541 57 E N 0.633 120.809 120.200 -0.040 0.000 2.275 57 E HA 0.400 4.750 4.350 0.000 0.000 0.270 57 E C -1.741 174.833 176.600 -0.043 0.000 0.882 57 E CA -0.435 55.941 56.400 -0.041 0.000 0.758 57 E CB 2.310 31.989 29.700 -0.034 0.000 1.195 57 E HN -0.161 nan 8.360 nan 0.000 0.419 58 V N 5.137 125.023 119.914 -0.047 0.000 2.409 58 V HA 0.117 4.237 4.120 0.000 0.000 0.291 58 V C 0.972 177.042 176.094 -0.040 0.000 1.020 58 V CA -0.379 61.891 62.300 -0.049 0.000 0.848 58 V CB 1.498 33.283 31.823 -0.063 0.000 0.990 58 V HN 0.840 nan 8.190 nan 0.000 0.430 59 Q N 2.641 122.413 119.800 -0.047 0.000 2.079 59 Q HA -0.042 4.298 4.340 0.000 0.000 0.200 59 Q C 1.527 177.511 176.000 -0.026 0.000 0.974 59 Q CA 1.737 57.512 55.803 -0.047 0.000 0.840 59 Q CB 0.285 28.986 28.738 -0.061 0.000 0.898 59 Q HN 0.974 nan 8.270 nan 0.000 0.430 60 G N -0.451 108.325 108.800 -0.041 0.000 3.348 60 G HA2 0.157 4.117 3.960 0.000 0.000 0.180 60 G HA3 0.157 4.117 3.960 0.000 0.000 0.180 60 G C -0.316 174.622 174.900 0.064 0.000 1.915 60 G CA 0.175 45.264 45.100 -0.018 0.000 0.937 60 G HN 0.311 nan 8.290 nan 0.000 0.564 61 Y N -1.911 118.432 120.300 0.072 0.000 2.630 61 Y HA 0.762 5.312 4.550 0.000 0.000 0.337 61 Y C -0.779 175.152 175.900 0.051 0.000 1.051 61 Y CA -1.822 56.329 58.100 0.086 0.000 1.121 61 Y CB 1.479 40.029 38.460 0.152 0.000 1.299 61 Y HN 0.231 nan 8.280 nan 0.000 0.498 62 V N 3.182 123.255 119.914 0.265 0.000 2.417 62 V HA 0.418 4.538 4.120 0.000 0.000 0.291 62 V C -1.050 175.153 176.094 0.182 0.000 1.024 62 V CA -0.585 61.789 62.300 0.122 0.000 0.861 62 V CB 1.247 33.087 31.823 0.029 0.000 0.985 62 V HN 0.714 nan 8.190 nan 0.000 0.436 63 L N 7.216 128.518 121.223 0.131 0.000 2.342 63 L HA 0.658 4.998 4.340 0.000 0.000 0.276 63 L C -0.777 176.058 176.870 -0.059 0.000 0.997 63 L CA 0.168 55.001 54.840 -0.011 0.000 0.838 63 L CB 1.253 43.347 42.059 0.060 0.000 1.224 63 L HN 0.573 nan 8.230 nan 0.000 0.416 64 I N 5.683 126.182 120.570 -0.117 0.000 2.405 64 I HA 0.753 4.923 4.170 0.000 0.000 0.280 64 I C -0.219 175.805 176.117 -0.155 0.000 1.027 64 I CA -0.153 61.084 61.300 -0.104 0.000 1.161 64 I CB 1.293 39.239 38.000 -0.089 0.000 1.300 64 I HN 0.770 nan 8.210 nan 0.000 0.463 65 A N 3.951 126.677 122.820 -0.156 0.000 2.572 65 A HA 0.630 4.950 4.320 0.000 0.000 0.295 65 A C 0.007 177.434 177.584 -0.262 0.000 1.072 65 A CA -0.425 51.468 52.037 -0.241 0.000 0.691 65 A CB 0.838 19.685 19.000 -0.254 0.000 1.291 65 A HN 0.742 nan 8.150 nan 0.000 0.404 66 H N -0.051 118.833 119.070 -0.310 0.000 2.820 66 H HA -0.133 4.423 4.556 0.000 0.000 0.295 66 H C -0.155 175.005 175.328 -0.280 0.000 1.187 66 H CA 1.306 57.115 56.048 -0.398 0.000 1.144 66 H CB -1.260 27.958 29.762 -0.906 0.000 1.354 66 H HN 0.673 nan 8.280 nan 0.000 0.395 67 N N 0.742 119.386 118.700 -0.092 0.000 2.456 67 N HA 0.166 4.906 4.740 0.000 0.000 0.296 67 N C 1.089 176.596 175.510 -0.005 0.000 1.102 67 N CA -0.341 52.696 53.050 -0.023 0.000 0.924 67 N CB 1.384 39.858 38.487 -0.022 0.000 1.186 67 N HN 0.273 nan 8.380 nan 0.000 0.492 68 Q N -0.146 119.669 119.800 0.025 0.000 2.352 68 Q HA 0.112 4.452 4.340 0.000 0.000 0.212 68 Q C 0.184 176.192 176.000 0.014 0.000 0.888 68 Q CA -0.099 55.716 55.803 0.020 0.000 0.934 68 Q CB 0.451 29.210 28.738 0.036 0.000 1.093 68 Q HN 0.602 nan 8.270 nan 0.000 0.523 69 V N -0.223 119.699 119.914 0.014 0.000 2.814 69 V HA -0.073 4.047 4.120 0.000 0.000 0.307 69 V C 0.950 177.041 176.094 -0.005 0.000 1.089 69 V CA 0.084 62.386 62.300 0.004 0.000 1.212 69 V CB 0.753 32.574 31.823 -0.004 0.000 0.912 69 V HN 0.156 nan 8.190 nan 0.000 0.497 70 R N 0.861 121.359 120.500 -0.003 0.000 2.153 70 R HA 0.120 4.460 4.340 0.000 0.000 0.218 70 R C 0.879 177.177 176.300 -0.004 0.000 1.072 70 R CA 0.855 56.954 56.100 -0.002 0.000 0.990 70 R CB 0.015 30.317 30.300 0.004 0.000 0.889 70 R HN 0.810 nan 8.270 nan 0.000 0.452 71 Q N 0.140 119.931 119.800 -0.016 0.000 2.289 71 Q HA 0.251 4.591 4.340 0.000 0.000 0.270 71 Q C -1.655 174.312 176.000 -0.054 0.000 1.038 71 Q CA -0.636 55.151 55.803 -0.026 0.000 0.812 71 Q CB 2.611 31.334 28.738 -0.025 0.000 1.300 71 Q HN 0.032 nan 8.270 nan 0.000 0.427 72 V N 1.734 121.608 119.914 -0.067 0.000 2.384 72 V HA 0.680 4.800 4.120 0.000 0.000 0.287 72 V C -2.450 173.570 176.094 -0.123 0.000 1.020 72 V CA -2.049 60.186 62.300 -0.107 0.000 0.850 72 V CB 1.655 33.412 31.823 -0.110 0.000 0.987 72 V HN 0.595 nan 8.190 nan 0.000 0.436 73 P HA 0.326 nan 4.420 nan 0.000 0.214 73 P C 0.038 177.246 177.300 -0.154 0.000 1.826 73 P CA -0.038 62.979 63.100 -0.139 0.000 0.977 73 P CB 0.029 31.644 31.700 -0.141 0.000 1.930 74 L N 0.894 122.020 121.223 -0.162 0.000 2.968 74 L HA 0.155 4.495 4.340 0.000 0.000 0.235 74 L C 1.561 178.319 176.870 -0.187 0.000 1.323 74 L CA 0.028 54.763 54.840 -0.174 0.000 1.159 74 L CB -0.341 41.608 42.059 -0.184 0.000 1.523 74 L HN 0.009 nan 8.230 nan 0.000 0.468 75 Q N -0.199 119.504 119.800 -0.163 0.000 2.364 75 Q HA -0.067 4.273 4.340 0.000 0.000 0.207 75 Q C 1.774 177.682 176.000 -0.152 0.000 0.970 75 Q CA 1.130 56.833 55.803 -0.168 0.000 0.888 75 Q CB 0.023 28.688 28.738 -0.123 0.000 0.951 75 Q HN 0.366 nan 8.270 nan 0.000 0.469 76 R N -0.536 119.888 120.500 -0.127 0.000 2.334 76 R HA 0.202 4.542 4.340 0.000 0.000 0.216 76 R C -0.061 176.176 176.300 -0.106 0.000 0.905 76 R CA -0.216 55.823 56.100 -0.102 0.000 1.064 76 R CB 0.266 30.523 30.300 -0.072 0.000 1.046 76 R HN 0.224 nan 8.270 nan 0.000 0.508 77 L N 1.838 122.979 121.223 -0.136 0.000 2.534 77 L HA -0.023 4.317 4.340 0.000 0.000 0.271 77 L C 1.167 177.961 176.870 -0.127 0.000 1.178 77 L CA 0.566 55.328 54.840 -0.130 0.000 0.907 77 L CB 0.547 42.513 42.059 -0.156 0.000 1.164 77 L HN 0.080 nan 8.230 nan 0.000 0.482 78 R N 4.377 124.825 120.500 -0.088 0.000 2.140 78 R HA 0.337 4.677 4.340 0.000 0.000 0.200 78 R C 0.072 176.343 176.300 -0.047 0.000 1.069 78 R CA 0.156 56.214 56.100 -0.069 0.000 1.088 78 R CB 0.414 30.683 30.300 -0.051 0.000 1.012 78 R HN 0.663 nan 8.270 nan 0.000 0.500 79 I N 0.836 121.381 120.570 -0.041 0.000 2.582 79 I HA 0.412 4.582 4.170 0.000 0.000 0.292 79 I C -1.612 174.494 176.117 -0.019 0.000 1.066 79 I CA -1.099 60.186 61.300 -0.025 0.000 1.053 79 I CB 2.209 40.187 38.000 -0.038 0.000 1.241 79 I HN -0.106 nan 8.210 nan 0.000 0.421 80 V N 7.599 127.519 119.914 0.010 0.000 2.444 80 V HA 0.535 4.655 4.120 0.000 0.000 0.294 80 V C 0.549 176.665 176.094 0.036 0.000 1.022 80 V CA -0.347 61.967 62.300 0.023 0.000 0.850 80 V CB 1.654 33.508 31.823 0.052 0.000 0.992 80 V HN 0.956 nan 8.190 nan 0.000 0.426 81 R N 4.267 124.773 120.500 0.009 0.000 2.161 81 R HA 0.237 4.577 4.340 0.000 0.000 0.213 81 R C 1.520 177.836 176.300 0.027 0.000 1.055 81 R CA 0.789 56.884 56.100 -0.008 0.000 0.996 81 R CB 0.097 30.368 30.300 -0.048 0.000 0.901 81 R HN 1.339 nan 8.270 nan 0.000 0.456 82 G N 0.892 109.730 108.800 0.063 0.000 2.221 82 G HA2 -0.283 3.677 3.960 0.000 0.000 0.265 82 G HA3 -0.283 3.677 3.960 0.000 0.000 0.265 82 G C 0.669 175.614 174.900 0.075 0.000 1.041 82 G CA 0.706 45.866 45.100 0.100 0.000 0.807 82 G HN 0.295 nan 8.290 nan 0.000 0.502 83 T N -0.163 114.422 114.554 0.052 0.000 2.720 83 T HA -0.028 4.322 4.350 0.000 0.000 0.268 83 T C 1.266 176.007 174.700 0.068 0.000 1.037 83 T CA 2.085 64.208 62.100 0.040 0.000 1.144 83 T CB -0.063 68.815 68.868 0.017 0.000 0.864 83 T HN 0.835 nan 8.240 nan 0.000 0.444 84 Q N 0.186 120.055 119.800 0.114 0.000 2.377 84 Q HA 0.710 5.050 4.340 0.000 0.000 0.271 84 Q C -1.362 174.816 176.000 0.296 0.000 1.077 84 Q CA -0.648 55.260 55.803 0.174 0.000 0.820 84 Q CB 2.210 31.068 28.738 0.199 0.000 1.347 84 Q HN 0.255 nan 8.270 nan 0.000 0.444 85 L N 1.907 123.253 121.223 0.205 0.000 2.341 85 L HA 0.482 4.822 4.340 0.000 0.000 0.278 85 L C -0.551 176.250 176.870 -0.115 0.000 1.005 85 L CA -1.037 53.882 54.840 0.131 0.000 0.818 85 L CB 1.186 43.256 42.059 0.020 0.000 1.259 85 L HN 0.618 nan 8.230 nan 0.000 0.418 86 F N 3.185 122.737 119.950 -0.663 0.000 2.602 86 F HA -0.057 4.470 4.527 0.000 0.000 0.385 86 F C 1.276 176.924 175.800 -0.253 0.000 1.063 86 F CA 0.438 57.953 58.000 -0.807 0.000 1.233 86 F CB 0.029 38.532 39.000 -0.828 0.000 1.067 86 F HN 0.717 nan 8.300 nan 0.000 0.564 87 E N 3.302 122.920 120.200 -0.969 0.000 2.722 87 E HA -0.342 4.008 4.350 0.000 0.000 0.265 87 E C 0.107 176.504 176.600 -0.339 0.000 1.081 87 E CA 0.960 56.986 56.400 -0.623 0.000 0.781 87 E CB -0.994 28.393 29.700 -0.522 0.000 1.372 87 E HN 0.883 nan 8.360 nan 0.000 0.423 88 D N -1.749 118.490 120.400 -0.268 0.000 3.070 88 D HA -0.247 4.393 4.640 0.000 0.000 0.220 88 D C 0.551 176.721 176.300 -0.218 0.000 1.176 88 D CA 1.420 55.311 54.000 -0.183 0.000 0.924 88 D CB -1.036 39.674 40.800 -0.149 0.000 1.124 88 D HN 0.541 nan 8.370 nan 0.000 0.411 89 N N -1.630 116.879 118.700 -0.318 0.000 2.249 89 N HA -0.006 4.734 4.740 0.000 0.000 0.239 89 N C -0.346 174.857 175.510 -0.512 0.000 1.185 89 N CA 0.112 52.848 53.050 -0.523 0.000 0.825 89 N CB 1.000 38.943 38.487 -0.907 0.000 1.372 89 N HN 0.136 nan 8.380 nan 0.000 0.472 90 Y N 0.540 120.853 120.300 0.021 0.000 2.335 90 Y HA 0.519 5.069 4.550 0.000 0.000 0.338 90 Y C 1.015 176.980 175.900 0.108 0.000 0.977 90 Y CA -0.695 57.447 58.100 0.071 0.000 1.114 90 Y CB 1.882 40.410 38.460 0.113 0.000 1.182 90 Y HN -0.054 nan 8.280 nan 0.000 0.463 91 A N 2.930 125.921 122.820 0.285 0.000 1.970 91 A HA 0.053 4.373 4.320 0.000 0.000 0.216 91 A C 0.097 177.840 177.584 0.266 0.000 1.170 91 A CA 0.907 53.109 52.037 0.274 0.000 0.645 91 A CB 0.102 19.250 19.000 0.247 0.000 0.816 91 A HN 0.554 nan 8.150 nan 0.000 0.447 92 L N -1.062 120.293 121.223 0.220 0.000 2.381 92 L HA 0.753 5.093 4.340 0.000 0.000 0.274 92 L C -0.675 176.201 176.870 0.010 0.000 0.988 92 L CA -0.539 54.374 54.840 0.122 0.000 0.824 92 L CB 1.660 43.790 42.059 0.119 0.000 1.263 92 L HN 0.178 nan 8.230 nan 0.000 0.410 93 A N 5.038 127.801 122.820 -0.095 0.000 2.357 93 A HA 0.741 5.061 4.320 0.000 0.000 0.295 93 A C -1.539 175.876 177.584 -0.281 0.000 1.121 93 A CA -0.485 51.378 52.037 -0.290 0.000 0.742 93 A CB 1.379 20.029 19.000 -0.584 0.000 1.181 93 A HN 0.483 nan 8.150 nan 0.000 0.454 94 V N 4.345 124.116 119.914 -0.237 0.000 2.313 94 V HA 0.500 4.620 4.120 0.000 0.000 0.278 94 V C -0.405 175.560 176.094 -0.214 0.000 1.017 94 V CA -0.086 62.102 62.300 -0.186 0.000 0.823 94 V CB 0.605 32.369 31.823 -0.098 0.000 1.010 94 V HN 0.765 nan 8.190 nan 0.000 0.443 95 L N 3.099 124.173 121.223 -0.250 0.000 2.401 95 L HA 0.572 4.912 4.340 0.000 0.000 0.266 95 L C -0.065 176.602 176.870 -0.338 0.000 0.991 95 L CA -0.959 53.717 54.840 -0.273 0.000 0.818 95 L CB 2.051 43.935 42.059 -0.292 0.000 1.321 95 L HN 0.619 nan 8.230 nan 0.000 0.413 96 D N 1.182 121.396 120.400 -0.309 0.000 2.720 96 D HA -0.212 4.428 4.640 0.000 0.000 0.229 96 D C -0.235 175.889 176.300 -0.293 0.000 1.198 96 D CA 0.635 54.431 54.000 -0.340 0.000 0.639 96 D CB -1.043 39.428 40.800 -0.548 0.000 1.003 96 D HN 0.438 nan 8.370 nan 0.000 0.411 97 N N 0.913 119.501 118.700 -0.187 0.000 3.322 97 N HA 0.347 5.087 4.740 0.000 0.000 0.290 97 N C 0.485 175.950 175.510 -0.075 0.000 1.297 97 N CA 0.150 53.125 53.050 -0.125 0.000 1.167 97 N CB 1.083 39.507 38.487 -0.105 0.000 1.434 97 N HN 0.399 nan 8.380 nan 0.000 0.526 98 G N -0.396 108.369 108.800 -0.059 0.000 3.105 98 G HA2 0.241 4.201 3.960 0.000 0.000 0.277 98 G HA3 0.241 4.201 3.960 0.000 0.000 0.277 98 G C -0.992 173.906 174.900 -0.004 0.000 1.375 98 G CA -0.408 44.673 45.100 -0.030 0.000 0.962 98 G HN 0.034 nan 8.290 nan 0.000 0.541 99 D N 1.188 121.589 120.400 0.003 0.000 2.304 99 D HA 0.305 4.945 4.640 0.000 0.000 0.250 99 D C -1.511 174.805 176.300 0.026 0.000 1.107 99 D CA -0.886 53.125 54.000 0.018 0.000 0.885 99 D CB 1.675 42.482 40.800 0.013 0.000 1.192 99 D HN 0.075 nan 8.370 nan 0.000 0.436 100 P HA -0.002 nan 4.420 nan 0.000 0.235 100 P C 0.483 177.803 177.300 0.035 0.000 1.720 100 P CA -0.373 62.757 63.100 0.050 0.000 1.003 100 P CB -0.357 31.383 31.700 0.066 0.000 1.968 112 P HA 0.498 nan 4.420 nan 0.000 0.275 112 P C 0.322 177.622 177.300 0.001 0.000 1.227 112 P CA 0.110 63.210 63.100 0.000 0.000 0.781 112 P CB 0.467 32.163 31.700 -0.005 0.000 0.906 113 G N 0.372 109.175 108.800 0.005 0.000 2.634 113 G HA2 0.509 4.469 3.960 0.000 0.000 0.255 113 G HA3 0.509 4.469 3.960 0.000 0.000 0.255 113 G C 0.045 174.944 174.900 -0.002 0.000 1.205 113 G CA 0.009 45.113 45.100 0.006 0.000 0.884 113 G HN 0.927 nan 8.290 nan 0.000 0.549 114 G N -1.497 107.301 108.800 -0.004 0.000 2.697 114 G HA2 0.289 4.249 3.960 0.000 0.000 0.684 114 G HA3 0.289 4.249 3.960 0.000 0.000 0.684 114 G C -0.533 174.359 174.900 -0.014 0.000 1.274 114 G CA -0.402 44.690 45.100 -0.015 0.000 0.806 114 G HN 1.285 nan 8.290 nan 0.000 0.644 115 L N 1.140 122.351 121.223 -0.020 0.000 2.615 115 L HA 0.333 4.673 4.340 0.000 0.000 0.284 115 L C 1.679 178.548 176.870 -0.003 0.000 1.237 115 L CA 1.180 56.013 54.840 -0.012 0.000 0.905 115 L CB 0.395 42.441 42.059 -0.020 0.000 1.149 115 L HN 0.748 nan 8.230 nan 0.000 0.499 116 R N 1.861 122.371 120.500 0.016 0.000 2.167 116 R HA 0.287 4.627 4.340 0.000 0.000 0.195 116 R C -0.237 176.107 176.300 0.072 0.000 1.027 116 R CA 0.137 56.253 56.100 0.027 0.000 1.114 116 R CB 0.397 30.716 30.300 0.032 0.000 1.075 116 R HN 0.668 nan 8.270 nan 0.000 0.538 117 E N 0.021 120.284 120.200 0.104 0.000 2.343 117 E HA 0.222 4.572 4.350 0.000 0.000 0.270 117 E C 0.011 176.704 176.600 0.154 0.000 0.895 117 E CA -0.347 56.162 56.400 0.181 0.000 0.767 117 E CB 2.628 32.454 29.700 0.211 0.000 1.248 117 E HN -0.045 nan 8.360 nan 0.000 0.440 118 L N 1.220 122.586 121.223 0.239 0.000 2.179 118 L HA -0.080 4.260 4.340 0.000 0.000 0.208 118 L C 0.444 177.367 176.870 0.088 0.000 1.096 118 L CA 0.823 55.792 54.840 0.215 0.000 0.779 118 L CB -0.015 42.296 42.059 0.420 0.000 0.922 118 L HN 0.670 nan 8.230 nan 0.000 0.443 119 Q N 0.158 120.045 119.800 0.144 0.000 2.457 119 Q HA -0.222 4.118 4.340 0.000 0.000 0.283 119 Q C -0.023 175.801 176.000 -0.294 0.000 1.234 119 Q CA 0.523 56.318 55.803 -0.014 0.000 0.877 119 Q CB -1.958 26.765 28.738 -0.025 0.000 1.250 119 Q HN 0.487 nan 8.270 nan 0.000 0.481 120 L N 0.978 121.757 121.223 -0.739 0.000 2.865 120 L HA 0.142 4.482 4.340 0.000 0.000 0.233 120 L C 1.783 177.785 176.870 -1.447 0.000 1.320 120 L CA -0.075 54.085 54.840 -1.133 0.000 1.225 120 L CB -0.055 41.200 42.059 -1.341 0.000 1.542 120 L HN 0.232 nan 8.230 nan 0.000 0.432 121 R N -2.365 117.668 120.500 -0.779 0.000 2.316 121 R HA 0.035 4.375 4.340 0.000 0.000 0.202 121 R C 1.275 177.418 176.300 -0.261 0.000 1.029 121 R CA 0.562 56.392 56.100 -0.450 0.000 1.018 121 R CB -0.152 30.060 30.300 -0.146 0.000 0.888 121 R HN 0.168 nan 8.270 nan 0.000 0.471 122 S N 0.437 115.962 115.700 -0.291 0.000 2.512 122 S HA 0.146 4.616 4.470 0.000 0.000 0.216 122 S C 0.122 174.631 174.600 -0.153 0.000 1.006 122 S CA -0.577 57.524 58.200 -0.165 0.000 0.915 122 S CB 0.256 63.377 63.200 -0.132 0.000 0.824 122 S HN 0.156 nan 8.310 nan 0.000 0.497 123 L N 3.486 124.558 121.223 -0.251 0.000 2.699 123 L HA 0.171 4.511 4.340 0.000 0.000 0.283 123 L C 0.646 177.497 176.870 -0.031 0.000 1.166 123 L CA 0.990 55.732 54.840 -0.163 0.000 1.043 123 L CB -0.503 41.402 42.059 -0.257 0.000 1.369 123 L HN -0.000 nan 8.230 nan 0.000 0.462 124 T N 1.851 116.401 114.554 -0.007 0.000 2.971 124 T HA 0.181 4.531 4.350 0.000 0.000 0.252 124 T C 0.055 174.784 174.700 0.048 0.000 1.022 124 T CA 0.095 62.211 62.100 0.027 0.000 0.980 124 T CB 0.327 69.205 68.868 0.016 0.000 1.044 124 T HN 0.442 nan 8.240 nan 0.000 0.501 125 E N 0.874 121.103 120.200 0.047 0.000 2.260 125 E HA 0.553 4.903 4.350 0.000 0.000 0.266 125 E C -1.691 174.969 176.600 0.100 0.000 0.887 125 E CA -0.441 56.006 56.400 0.078 0.000 0.777 125 E CB 0.954 30.680 29.700 0.042 0.000 1.205 125 E HN 0.149 nan 8.360 nan 0.000 0.414 126 I N 6.445 127.122 120.570 0.177 0.000 2.411 126 I HA 0.214 4.384 4.170 0.000 0.000 0.284 126 I C 0.722 176.990 176.117 0.252 0.000 1.012 126 I CA -0.355 61.084 61.300 0.233 0.000 1.119 126 I CB 1.277 39.492 38.000 0.359 0.000 1.261 126 I HN 0.630 nan 8.210 nan 0.000 0.448 127 L N 4.940 126.244 121.223 0.134 0.000 2.131 127 L HA 0.146 4.486 4.340 0.000 0.000 0.206 127 L C 0.925 177.857 176.870 0.103 0.000 1.087 127 L CA 1.128 56.012 54.840 0.073 0.000 0.767 127 L CB 0.008 42.035 42.059 -0.054 0.000 0.917 127 L HN 0.482 nan 8.230 nan 0.000 0.441 128 K N -0.669 119.789 120.400 0.097 0.000 2.525 128 K HA 0.473 4.793 4.320 0.000 0.000 0.254 128 K C -0.715 175.925 176.600 0.068 0.000 0.934 128 K CA 0.233 56.556 56.287 0.061 0.000 0.802 128 K CB 2.146 34.668 32.500 0.038 0.000 1.295 128 K HN 0.102 nan 8.250 nan 0.000 0.433 129 G N 1.123 109.924 108.800 0.002 0.000 2.707 129 G HA2 -0.021 3.939 3.960 0.000 0.000 0.686 129 G HA3 -0.021 3.939 3.960 0.000 0.000 0.686 129 G C -0.275 174.623 174.900 -0.004 0.000 1.315 129 G CA -0.499 44.593 45.100 -0.014 0.000 0.832 129 G HN 0.859 nan 8.290 nan 0.000 0.573 130 G N -1.927 106.888 108.800 0.026 0.000 2.938 130 G HA2 0.846 4.806 3.960 0.000 0.000 0.258 130 G HA3 0.846 4.806 3.960 0.000 0.000 0.258 130 G C -0.851 174.301 174.900 0.419 0.000 1.356 130 G CA 0.041 45.221 45.100 0.132 0.000 1.052 130 G HN 1.564 nan 8.290 nan 0.000 0.550 131 V N 0.325 120.456 119.914 0.362 0.000 2.487 131 V HA 0.499 4.619 4.120 0.000 0.000 0.298 131 V C -0.958 175.010 176.094 -0.210 0.000 1.028 131 V CA -0.561 61.761 62.300 0.038 0.000 0.860 131 V CB 1.357 32.975 31.823 -0.343 0.000 0.991 131 V HN 0.608 nan 8.190 nan 0.000 0.427 132 L N 7.202 128.154 121.223 -0.453 0.000 2.325 132 L HA 0.725 5.065 4.340 0.000 0.000 0.281 132 L C -0.870 175.753 176.870 -0.413 0.000 1.004 132 L CA 0.183 54.605 54.840 -0.697 0.000 0.823 132 L CB 1.167 42.426 42.059 -1.333 0.000 1.236 132 L HN 0.588 nan 8.230 nan 0.000 0.415 133 I N 5.191 125.572 120.570 -0.314 0.000 2.468 133 I HA 0.482 4.652 4.170 0.000 0.000 0.284 133 I C -0.722 175.297 176.117 -0.165 0.000 1.038 133 I CA -0.325 60.851 61.300 -0.206 0.000 1.083 133 I CB 1.643 39.558 38.000 -0.142 0.000 1.223 133 I HN 0.613 nan 8.210 nan 0.000 0.443 134 Q N 4.765 124.471 119.800 -0.157 0.000 2.340 134 Q HA 0.508 4.848 4.340 0.000 0.000 0.276 134 Q C -0.916 175.012 176.000 -0.119 0.000 1.048 134 Q CA -1.058 54.669 55.803 -0.126 0.000 0.832 134 Q CB 2.757 31.419 28.738 -0.126 0.000 1.373 134 Q HN 0.466 nan 8.270 nan 0.000 0.409 135 R N 1.981 122.425 120.500 -0.093 0.000 3.146 135 R HA -0.155 4.185 4.340 0.000 0.000 0.250 135 R C -1.219 175.022 176.300 -0.099 0.000 0.912 135 R CA 0.462 56.509 56.100 -0.089 0.000 0.633 135 R CB -1.307 28.939 30.300 -0.091 0.000 1.180 135 R HN 0.514 nan 8.270 nan 0.000 0.464 136 N N 0.915 119.566 118.700 -0.081 0.000 2.623 136 N HA 0.158 4.898 4.740 0.000 0.000 0.256 136 N C -2.295 173.180 175.510 -0.058 0.000 1.045 136 N CA -1.474 51.533 53.050 -0.073 0.000 0.863 136 N CB 1.979 40.425 38.487 -0.068 0.000 1.182 136 N HN -0.001 nan 8.380 nan 0.000 0.523 137 P HA -0.006 nan 4.420 nan 0.000 0.229 137 P C 0.734 178.004 177.300 -0.051 0.000 1.160 137 P CA 1.079 64.150 63.100 -0.049 0.000 0.777 137 P CB 0.527 32.203 31.700 -0.040 0.000 0.814 138 Q N -1.119 118.652 119.800 -0.048 0.000 2.194 138 Q HA 0.196 4.536 4.340 0.000 0.000 0.214 138 Q C 0.212 176.179 176.000 -0.054 0.000 0.838 138 Q CA -0.367 55.406 55.803 -0.050 0.000 0.972 138 Q CB 0.228 28.945 28.738 -0.035 0.000 1.131 138 Q HN 0.252 nan 8.270 nan 0.000 0.498 139 L N 0.898 122.090 121.223 -0.052 0.000 2.331 139 L HA 0.228 4.568 4.340 0.000 0.000 0.278 139 L C -0.770 176.046 176.870 -0.090 0.000 1.106 139 L CA 0.035 54.852 54.840 -0.039 0.000 0.824 139 L CB 0.848 42.899 42.059 -0.014 0.000 1.142 139 L HN 0.020 nan 8.230 nan 0.000 0.443 140 c N 3.455 121.983 118.600 -0.121 0.000 2.667 140 c HA 0.512 5.082 4.570 0.000 0.000 0.323 140 c C -0.101 173.862 174.090 -0.211 0.000 1.214 140 c CA -0.370 55.737 56.329 -0.369 0.000 1.721 140 c CB 0.907 42.942 42.510 -0.792 0.000 2.275 140 c HN 0.958 nan 8.230 nan 0.000 0.491 141 Y N -0.561 119.734 120.300 -0.010 0.000 4.907 141 Y HA -0.300 4.250 4.550 0.000 0.000 0.246 141 Y C 2.059 177.917 175.900 -0.070 0.000 0.968 141 Y CA 0.988 59.059 58.100 -0.048 0.000 1.961 141 Y CB -1.558 36.871 38.460 -0.052 0.000 1.487 141 Y HN 0.825 nan 8.280 nan 0.000 0.575 142 Q N 1.663 121.526 119.800 0.105 0.000 2.245 142 Q HA -0.106 4.234 4.340 0.000 0.000 0.201 142 Q C 1.003 177.124 176.000 0.201 0.000 0.955 142 Q CA 1.879 57.792 55.803 0.182 0.000 0.870 142 Q CB -0.260 28.619 28.738 0.234 0.000 0.945 142 Q HN 0.704 nan 8.270 nan 0.000 0.461 143 D N -0.003 120.458 120.400 0.101 0.000 2.324 143 D HA 0.010 4.650 4.640 0.000 0.000 0.235 143 D C 0.875 177.193 176.300 0.029 0.000 1.095 143 D CA 0.296 54.353 54.000 0.094 0.000 0.871 143 D CB 0.270 41.095 40.800 0.041 0.000 0.906 143 D HN 0.086 nan 8.370 nan 0.000 0.522 144 T N -0.308 114.220 114.554 -0.044 0.000 3.000 144 T HA 0.163 4.513 4.350 0.000 0.000 0.248 144 T C 0.832 175.353 174.700 -0.299 0.000 1.034 144 T CA -0.334 61.692 62.100 -0.123 0.000 1.060 144 T CB 0.347 69.177 68.868 -0.063 0.000 0.983 144 T HN 0.019 nan 8.240 nan 0.000 0.482 145 I N 2.956 123.207 120.570 -0.532 0.000 2.648 145 I HA 0.105 4.275 4.170 0.000 0.000 0.284 145 I C 0.457 176.112 176.117 -0.770 0.000 1.153 145 I CA -0.261 60.466 61.300 -0.954 0.000 1.426 145 I CB 0.481 37.401 38.000 -1.800 0.000 1.381 145 I HN 0.175 nan 8.210 nan 0.000 0.571 146 L N 7.387 128.260 121.223 -0.584 0.000 2.395 146 L HA 0.037 4.377 4.340 0.000 0.000 0.268 146 L C 0.395 177.061 176.870 -0.339 0.000 1.223 146 L CA 0.036 54.680 54.840 -0.327 0.000 1.093 146 L CB -0.291 41.643 42.059 -0.207 0.000 1.349 146 L HN 0.703 nan 8.230 nan 0.000 0.427 147 W N 2.361 123.573 121.300 -0.147 0.000 2.374 147 W HA -0.234 4.426 4.660 0.000 0.000 0.288 147 W C 2.312 178.664 176.519 -0.280 0.000 1.218 147 W CA 0.903 58.087 57.345 -0.268 0.000 1.245 147 W CB -0.091 29.241 29.460 -0.212 0.000 1.126 147 W HN 0.473 nan 8.180 nan 0.000 0.545 148 K N 0.898 121.403 120.400 0.176 0.000 2.089 148 K HA -0.289 4.031 4.320 0.000 0.000 0.210 148 K C 1.865 178.541 176.600 0.126 0.000 1.048 148 K CA 2.216 58.640 56.287 0.228 0.000 0.926 148 K CB -0.592 32.006 32.500 0.163 0.000 0.714 148 K HN 0.087 nan 8.250 nan 0.000 0.448 149 D N 0.167 120.578 120.400 0.018 0.000 2.144 149 D HA -0.151 4.489 4.640 0.000 0.000 0.199 149 D C 1.903 178.210 176.300 0.012 0.000 0.984 149 D CA 1.418 55.420 54.000 0.002 0.000 0.834 149 D CB 0.087 40.860 40.800 -0.046 0.000 0.955 149 D HN 0.374 nan 8.370 nan 0.000 0.465 150 I N 0.045 120.580 120.570 -0.058 0.000 2.233 150 I HA -0.148 4.022 4.170 0.000 0.000 0.243 150 I C 0.846 177.004 176.117 0.069 0.000 1.093 150 I CA 0.176 61.455 61.300 -0.035 0.000 1.380 150 I CB -0.426 37.525 38.000 -0.081 0.000 1.067 150 I HN -0.146 nan 8.210 nan 0.000 0.413 151 F N 1.896 121.961 119.950 0.191 0.000 2.623 151 F HA -0.064 4.463 4.527 0.000 0.000 0.383 151 F C 1.309 177.199 175.800 0.149 0.000 1.077 151 F CA 0.042 58.143 58.000 0.168 0.000 1.268 151 F CB -0.203 38.886 39.000 0.148 0.000 1.053 151 F HN 0.163 nan 8.300 nan 0.000 0.571 152 H N 4.174 123.395 119.070 0.253 0.000 2.852 152 H HA -0.025 4.531 4.556 0.000 0.000 0.362 152 H C 1.258 176.659 175.328 0.122 0.000 1.122 152 H CA 0.055 56.187 56.048 0.139 0.000 1.419 152 H CB 0.850 30.665 29.762 0.088 0.000 1.401 152 H HN 0.733 nan 8.280 nan 0.000 0.609 153 K N 2.324 122.387 120.400 -0.563 0.000 2.173 153 K HA -0.183 4.137 4.320 0.000 0.000 0.207 153 K C 0.725 177.233 176.600 -0.154 0.000 1.046 153 K CA 1.650 57.730 56.287 -0.345 0.000 0.929 153 K CB 0.156 32.397 32.500 -0.433 0.000 0.720 153 K HN 0.549 nan 8.250 nan 0.000 0.453 154 N N 0.941 119.610 118.700 -0.052 0.000 2.270 154 N HA -0.062 4.678 4.740 0.000 0.000 0.198 154 N C -0.298 175.289 175.510 0.128 0.000 1.117 154 N CA 0.070 53.195 53.050 0.125 0.000 0.845 154 N CB 0.041 38.682 38.487 0.257 0.000 0.980 154 N HN 0.137 nan 8.380 nan 0.000 0.486 155 N N 1.755 120.529 118.700 0.124 0.000 2.400 155 N HA 0.014 4.754 4.740 0.000 0.000 0.267 155 N C 0.576 176.070 175.510 -0.027 0.000 1.208 155 N CA 0.353 53.441 53.050 0.063 0.000 0.951 155 N CB 0.564 39.102 38.487 0.085 0.000 1.227 155 N HN 0.160 nan 8.380 nan 0.000 0.488 156 Q N 2.483 122.267 119.800 -0.027 0.000 2.451 156 Q HA 0.146 4.486 4.340 0.000 0.000 0.206 156 Q C 0.196 176.140 176.000 -0.095 0.000 0.947 156 Q CA 0.656 56.430 55.803 -0.049 0.000 0.937 156 Q CB 0.346 29.069 28.738 -0.025 0.000 1.025 156 Q HN 0.608 nan 8.270 nan 0.000 0.511 157 L N -0.160 120.982 121.223 -0.135 0.000 3.209 157 L HA 0.420 4.760 4.340 0.000 0.000 0.279 157 L C -0.095 176.580 176.870 -0.325 0.000 1.301 157 L CA -0.629 54.100 54.840 -0.186 0.000 1.004 157 L CB 0.728 42.693 42.059 -0.158 0.000 1.402 157 L HN -0.115 nan 8.230 nan 0.000 0.577 158 A N 2.886 125.446 122.820 -0.433 0.000 2.797 158 A HA 0.523 4.843 4.320 0.000 0.000 0.296 158 A C 0.107 177.231 177.584 -0.766 0.000 1.580 158 A CA -0.005 51.437 52.037 -0.991 0.000 1.277 158 A CB -0.330 18.219 19.000 -0.752 0.000 1.101 158 A HN 0.371 nan 8.150 nan 0.000 0.562 159 L N -0.831 120.045 121.223 -0.579 0.000 2.303 159 L HA 0.871 5.211 4.340 0.000 0.000 0.256 159 L C -0.678 176.226 176.870 0.057 0.000 1.034 159 L CA -0.480 54.264 54.840 -0.161 0.000 0.832 159 L CB 1.167 43.172 42.059 -0.091 0.000 1.403 159 L HN 0.180 nan 8.230 nan 0.000 0.419 160 T N 2.147 116.746 114.554 0.075 0.000 2.841 160 T HA 0.700 5.050 4.350 0.000 0.000 0.283 160 T C -1.206 173.490 174.700 -0.006 0.000 1.000 160 T CA -0.278 61.825 62.100 0.005 0.000 0.977 160 T CB 1.618 70.461 68.868 -0.041 0.000 0.979 160 T HN 0.559 nan 8.240 nan 0.000 0.446 161 L N 5.859 127.035 121.223 -0.078 0.000 2.471 161 L HA 0.676 5.016 4.340 0.000 0.000 0.263 161 L C -1.634 175.141 176.870 -0.158 0.000 0.985 161 L CA -0.317 54.472 54.840 -0.085 0.000 0.868 161 L CB 0.650 42.680 42.059 -0.050 0.000 1.203 161 L HN 0.623 nan 8.230 nan 0.000 0.429 162 I N 3.080 123.580 120.570 -0.117 0.000 2.545 162 I HA 0.415 4.585 4.170 0.000 0.000 0.292 162 I C -1.087 174.990 176.117 -0.066 0.000 1.040 162 I CA -0.666 60.566 61.300 -0.112 0.000 1.068 162 I CB 2.340 40.277 38.000 -0.106 0.000 1.251 162 I HN 0.503 nan 8.210 nan 0.000 0.424 163 D N 2.905 123.265 120.400 -0.066 0.000 2.256 163 D HA 0.403 5.043 4.640 0.000 0.000 0.246 163 D C 0.156 176.431 176.300 -0.041 0.000 1.042 163 D CA -0.327 53.642 54.000 -0.051 0.000 0.841 163 D CB 1.580 42.343 40.800 -0.062 0.000 1.223 163 D HN 0.593 nan 8.370 nan 0.000 0.470 164 T N 0.404 114.937 114.554 -0.035 0.000 3.331 164 T HA 0.245 4.595 4.350 0.000 0.000 0.282 164 T C 0.340 175.014 174.700 -0.044 0.000 1.010 164 T CA -0.814 61.263 62.100 -0.038 0.000 0.928 164 T CB -0.599 68.251 68.868 -0.030 0.000 1.154 164 T HN 0.218 nan 8.240 nan 0.000 0.516 165 N N 2.048 120.722 118.700 -0.043 0.000 2.483 165 N HA 0.307 5.047 4.740 0.000 0.000 0.264 165 N C -0.387 175.092 175.510 -0.050 0.000 1.197 165 N CA 0.027 53.051 53.050 -0.043 0.000 0.927 165 N CB 0.402 38.866 38.487 -0.039 0.000 1.065 165 N HN 0.431 nan 8.380 nan 0.000 0.461 166 R N 1.403 121.872 120.500 -0.052 0.000 2.698 166 R HA 0.363 4.703 4.340 0.000 0.000 0.275 166 R C -0.382 175.885 176.300 -0.054 0.000 1.001 166 R CA -0.585 55.478 56.100 -0.061 0.000 0.896 166 R CB 1.441 31.694 30.300 -0.079 0.000 1.218 166 R HN 0.492 nan 8.270 nan 0.000 0.462 167 S N 0.909 116.576 115.700 -0.055 0.000 2.578 167 S HA 0.132 4.602 4.470 0.000 0.000 0.231 167 S C -0.302 174.266 174.600 -0.054 0.000 0.994 167 S CA -0.297 57.875 58.200 -0.047 0.000 0.956 167 S CB 0.140 63.318 63.200 -0.037 0.000 0.870 167 S HN 0.516 nan 8.310 nan 0.000 0.494 168 R N 0.156 120.612 120.500 -0.073 0.000 2.771 168 R HA 0.807 5.147 4.340 0.000 0.000 0.274 168 R C -1.134 175.094 176.300 -0.120 0.000 0.987 168 R CA -0.840 55.205 56.100 -0.091 0.000 0.908 168 R CB 1.037 31.281 30.300 -0.094 0.000 1.213 168 R HN -0.005 nan 8.270 nan 0.000 0.468 169 A N 2.192 124.930 122.820 -0.136 0.000 2.366 169 A HA 0.417 4.737 4.320 0.000 0.000 0.272 169 A C -0.119 177.312 177.584 -0.255 0.000 1.135 169 A CA -0.643 51.297 52.037 -0.161 0.000 0.804 169 A CB 0.241 19.163 19.000 -0.130 0.000 1.064 169 A HN 0.792 nan 8.150 nan 0.000 0.499 170 c N 2.625 121.080 118.600 -0.242 0.000 2.534 170 c HA 0.427 4.997 4.570 0.000 0.000 0.385 170 c C 0.681 174.647 174.090 -0.207 0.000 1.264 170 c CA -0.495 55.654 56.329 -0.301 0.000 2.342 170 c CB -0.510 41.778 42.510 -0.371 0.000 2.564 170 c HN 0.850 nan 8.230 nan 0.000 0.603 171 H N 1.271 120.362 119.070 0.036 0.000 2.488 171 H HA 0.393 4.949 4.556 0.000 0.000 0.347 171 H C -1.976 173.481 175.328 0.215 0.000 1.174 171 H CA -1.614 54.501 56.048 0.111 0.000 1.307 171 H CB 0.249 30.085 29.762 0.122 0.000 1.517 171 H HN 0.440 nan 8.280 nan 0.000 0.554 172 P HA 0.045 nan 4.420 nan 0.000 0.273 172 P C -0.010 177.394 177.300 0.174 0.000 1.250 172 P CA -0.364 62.863 63.100 0.211 0.000 0.793 172 P CB 0.580 32.342 31.700 0.104 0.000 1.011 173 c N -0.143 118.494 118.600 0.060 0.000 2.705 173 c HA 0.163 4.733 4.570 0.000 0.000 0.365 173 c C 1.435 175.478 174.090 -0.077 0.000 1.353 173 c CA -0.055 56.204 56.329 -0.118 0.000 2.339 173 c CB -0.429 41.997 42.510 -0.140 0.000 2.576 173 c HN 0.600 nan 8.230 nan 0.000 0.716 174 S N 1.921 117.555 115.700 -0.109 0.000 2.558 174 S HA 0.026 4.496 4.470 0.000 0.000 0.293 174 S C -1.259 173.308 174.600 -0.055 0.000 1.292 174 S CA -0.584 57.573 58.200 -0.072 0.000 1.063 174 S CB 0.329 63.484 63.200 -0.074 0.000 0.831 174 S HN 0.579 nan 8.310 nan 0.000 0.499 175 P HA -0.118 nan 4.420 nan 0.000 0.218 175 P C 1.240 178.519 177.300 -0.036 0.000 1.146 175 P CA 1.260 64.341 63.100 -0.033 0.000 0.813 175 P CB 0.042 31.725 31.700 -0.028 0.000 0.778 176 M N -2.003 117.573 119.600 -0.040 0.000 2.460 176 M HA -0.074 4.406 4.480 0.000 0.000 0.263 176 M C 0.276 176.549 176.300 -0.044 0.000 1.071 176 M CA 0.748 56.026 55.300 -0.038 0.000 1.096 176 M CB -0.499 32.079 32.600 -0.036 0.000 1.408 176 M HN -0.164 nan 8.290 nan 0.000 0.463 177 c N 0.971 119.538 118.600 -0.055 0.000 2.576 177 c HA 0.064 4.634 4.570 0.000 0.000 0.401 177 c C 1.882 175.938 174.090 -0.057 0.000 1.314 177 c CA -0.815 55.475 56.329 -0.065 0.000 1.855 177 c CB 0.321 42.777 42.510 -0.090 0.000 2.537 177 c HN 0.484 nan 8.230 nan 0.000 0.578 178 K N 3.079 123.447 120.400 -0.054 0.000 1.991 178 K HA -0.046 4.274 4.320 0.000 0.000 0.212 178 K C 1.180 177.751 176.600 -0.048 0.000 1.049 178 K CA 1.989 58.249 56.287 -0.046 0.000 0.932 178 K CB -0.346 32.128 32.500 -0.043 0.000 0.717 178 K HN 0.879 nan 8.250 nan 0.000 0.441 179 G N -1.399 107.364 108.800 -0.062 0.000 2.828 179 G HA2 0.189 4.149 3.960 0.000 0.000 0.244 179 G HA3 0.189 4.149 3.960 0.000 0.000 0.244 179 G C 0.355 175.214 174.900 -0.068 0.000 1.365 179 G CA 0.003 45.066 45.100 -0.061 0.000 1.041 179 G HN 0.283 nan 8.290 nan 0.000 0.560 180 S N -1.188 114.473 115.700 -0.066 0.000 2.528 180 S HA -0.025 4.445 4.470 0.000 0.000 0.244 180 S C 1.124 175.665 174.600 -0.098 0.000 0.982 180 S CA 0.474 58.637 58.200 -0.061 0.000 0.953 180 S CB -0.117 63.055 63.200 -0.046 0.000 0.754 180 S HN 0.374 nan 8.310 nan 0.000 0.529 181 R N 1.349 121.763 120.500 -0.143 0.000 2.298 181 R HA 0.514 4.854 4.340 0.000 0.000 0.310 181 R C -0.314 175.830 176.300 -0.260 0.000 1.068 181 R CA 0.329 56.290 56.100 -0.232 0.000 0.957 181 R CB 0.466 30.621 30.300 -0.242 0.000 1.003 181 R HN 0.620 nan 8.270 nan 0.000 0.454 182 c N 0.250 118.636 118.600 -0.357 0.000 3.302 182 c HA 0.363 4.933 4.570 0.000 0.000 0.347 182 c C -0.454 173.394 174.090 -0.404 0.000 1.218 182 c CA -1.396 54.725 56.329 -0.347 0.000 1.234 182 c CB 0.230 42.537 42.510 -0.338 0.000 1.551 182 c HN 1.086 nan 8.230 nan 0.000 0.501 183 W N 2.038 123.226 121.300 -0.185 0.000 3.330 183 W HA 0.530 5.190 4.660 0.000 0.000 0.348 183 W C 1.190 177.644 176.519 -0.110 0.000 1.205 183 W CA 0.736 58.011 57.345 -0.116 0.000 1.841 183 W CB 0.739 30.135 29.460 -0.107 0.000 1.084 183 W HN 1.378 nan 8.180 nan 0.000 0.665 184 G N -0.648 108.064 108.800 -0.146 0.000 2.321 184 G HA2 -0.087 3.873 3.960 0.000 0.000 0.298 184 G HA3 -0.087 3.873 3.960 0.000 0.000 0.298 184 G C -0.231 174.351 174.900 -0.531 0.000 1.385 184 G CA -0.660 44.303 45.100 -0.228 0.000 0.856 184 G HN -0.029 nan 8.290 nan 0.000 0.584 185 E N -0.522 119.508 120.200 -0.284 0.000 2.204 185 E HA -0.049 4.301 4.350 0.000 0.000 0.195 185 E C 1.564 178.085 176.600 -0.132 0.000 0.990 185 E CA 1.088 57.382 56.400 -0.177 0.000 0.821 185 E CB 0.020 29.765 29.700 0.075 0.000 0.750 185 E HN 0.423 nan 8.360 nan 0.000 0.477 186 S N -0.730 114.912 115.700 -0.096 0.000 2.600 186 S HA 0.008 4.478 4.470 0.000 0.000 0.265 186 S C 1.362 175.917 174.600 -0.074 0.000 1.325 186 S CA 0.262 58.425 58.200 -0.062 0.000 1.002 186 S CB 1.351 64.529 63.200 -0.037 0.000 0.921 186 S HN 0.303 nan 8.310 nan 0.000 0.554 187 S N 1.540 117.209 115.700 -0.053 0.000 2.371 187 S HA -0.103 4.367 4.470 0.000 0.000 0.224 187 S C 1.217 175.794 174.600 -0.039 0.000 1.029 187 S CA 1.091 59.261 58.200 -0.049 0.000 0.978 187 S CB -0.831 62.346 63.200 -0.038 0.000 0.833 187 S HN 0.878 nan 8.310 nan 0.000 0.466 188 E N 0.827 121.009 120.200 -0.031 0.000 2.505 188 E HA 0.032 4.382 4.350 0.000 0.000 0.197 188 E C 0.225 176.820 176.600 -0.008 0.000 1.111 188 E CA 0.429 56.816 56.400 -0.021 0.000 0.887 188 E CB -0.239 29.447 29.700 -0.023 0.000 0.913 188 E HN 0.503 nan 8.360 nan 0.000 0.517 189 D N 0.463 120.856 120.400 -0.011 0.000 2.398 189 D HA 0.068 4.708 4.640 0.000 0.000 0.210 189 D C -0.020 176.312 176.300 0.053 0.000 1.094 189 D CA -0.136 53.884 54.000 0.033 0.000 0.839 189 D CB 0.232 41.027 40.800 -0.009 0.000 0.963 189 D HN 0.179 nan 8.370 nan 0.000 0.506 190 c N 2.276 120.869 118.600 -0.012 0.000 2.563 190 c HA 0.016 4.586 4.570 0.000 0.000 0.411 190 c C 1.095 175.187 174.090 0.004 0.000 1.386 190 c CA -0.436 55.864 56.329 -0.048 0.000 1.703 190 c CB -0.848 41.630 42.510 -0.052 0.000 2.596 190 c HN 0.337 nan 8.230 nan 0.000 0.605 191 Q N 3.035 122.772 119.800 -0.105 0.000 2.311 191 Q HA 0.281 4.621 4.340 0.000 0.000 0.272 191 Q C 0.174 176.156 176.000 -0.030 0.000 1.012 191 Q CA 0.201 55.955 55.803 -0.081 0.000 0.891 191 Q CB 0.677 29.196 28.738 -0.365 0.000 1.201 191 Q HN 0.878 nan 8.270 nan 0.000 0.391 192 S N 5.103 120.825 115.700 0.037 0.000 2.457 192 S HA 0.490 4.960 4.470 0.000 0.000 0.289 192 S C -0.369 174.229 174.600 -0.003 0.000 1.163 192 S CA -0.901 57.303 58.200 0.008 0.000 1.078 192 S CB 0.594 63.805 63.200 0.018 0.000 0.987 192 S HN 0.648 nan 8.310 nan 0.000 0.482 193 L N 3.365 124.575 121.223 -0.021 0.000 2.343 193 L HA 0.531 4.871 4.340 0.000 0.000 0.275 193 L C 0.793 177.659 176.870 -0.007 0.000 1.056 193 L CA -0.538 54.287 54.840 -0.025 0.000 0.804 193 L CB 1.741 43.777 42.059 -0.039 0.000 1.203 193 L HN 0.891 nan 8.230 nan 0.000 0.440 194 T N -0.884 113.671 114.554 0.001 0.000 3.147 194 T HA 0.119 4.469 4.350 0.000 0.000 0.275 194 T C 1.183 175.895 174.700 0.020 0.000 0.879 194 T CA -0.199 61.910 62.100 0.015 0.000 0.863 194 T CB 0.559 69.442 68.868 0.025 0.000 1.236 194 T HN 0.549 nan 8.240 nan 0.000 0.582 195 R N 1.248 121.757 120.500 0.015 0.000 2.191 195 R HA 0.080 4.420 4.340 0.000 0.000 0.187 195 R C 2.211 178.514 176.300 0.006 0.000 1.078 195 R CA 1.214 57.323 56.100 0.015 0.000 1.139 195 R CB -0.211 30.103 30.300 0.023 0.000 1.120 195 R HN 0.244 nan 8.270 nan 0.000 0.536 196 T N -1.571 112.985 114.554 0.003 0.000 3.155 196 T HA -0.017 4.333 4.350 0.000 0.000 0.264 196 T C 1.165 175.862 174.700 -0.004 0.000 1.160 196 T CA 0.737 62.837 62.100 0.001 0.000 1.075 196 T CB 0.480 69.347 68.868 -0.003 0.000 0.921 196 T HN 0.079 nan 8.240 nan 0.000 0.533 197 V N 0.500 120.411 119.914 -0.004 0.000 3.159 197 V HA 0.364 4.484 4.120 0.000 0.000 0.333 197 V C 0.091 176.183 176.094 -0.002 0.000 1.424 197 V CA -0.877 61.419 62.300 -0.006 0.000 1.125 197 V CB -0.784 31.033 31.823 -0.011 0.000 1.075 197 V HN 0.628 nan 8.190 nan 0.000 0.482 198 c N 2.067 120.667 118.600 0.000 0.000 2.405 198 c HA 0.787 5.357 4.570 0.000 0.000 0.365 198 c C 1.003 175.093 174.090 0.001 0.000 1.233 198 c CA -0.563 55.767 56.329 0.002 0.000 2.230 198 c CB 0.749 43.262 42.510 0.005 0.000 2.443 198 c HN 0.645 nan 8.230 nan 0.000 0.556 199 A N 2.727 125.548 122.820 0.001 0.000 2.401 199 A HA 0.620 4.940 4.320 0.000 0.000 0.259 199 A C 0.888 178.472 177.584 -0.001 0.000 1.103 199 A CA 0.788 52.825 52.037 -0.000 0.000 0.789 199 A CB -0.603 18.397 19.000 -0.000 0.000 1.035 199 A HN 2.257 nan 8.150 nan 0.000 0.491 200 G N 1.696 110.495 108.800 -0.002 0.000 2.569 200 G HA2 0.042 4.002 3.960 0.000 0.000 0.259 200 G HA3 0.042 4.002 3.960 0.000 0.000 0.259 200 G C 1.093 175.991 174.900 -0.003 0.000 1.263 200 G CA 0.324 45.422 45.100 -0.003 0.000 0.928 200 G HN 1.915 nan 8.290 nan 0.000 0.572 201 G N -0.618 108.179 108.800 -0.004 0.000 2.744 201 G HA2 0.198 4.158 3.960 0.000 0.000 0.211 201 G HA3 0.198 4.158 3.960 0.000 0.000 0.211 201 G C 1.122 176.019 174.900 -0.006 0.000 1.143 201 G CA 1.213 46.310 45.100 -0.005 0.000 0.788 201 G HN 1.262 nan 8.290 nan 0.000 0.534 202 c N 1.290 119.889 118.600 -0.002 0.000 2.211 202 c HA 0.208 4.778 4.570 0.000 0.000 0.393 202 c C 2.320 176.412 174.090 0.002 0.000 1.531 202 c CA 0.224 56.555 56.329 0.004 0.000 1.465 202 c CB -0.186 42.329 42.510 0.007 0.000 2.534 202 c HN 0.581 nan 8.230 nan 0.000 0.592 203 A N 5.063 127.890 122.820 0.012 0.000 1.898 203 A HA 0.020 4.340 4.320 0.000 0.000 0.216 203 A C 1.150 178.751 177.584 0.028 0.000 1.181 203 A CA 1.385 53.421 52.037 -0.001 0.000 0.620 203 A CB 0.098 19.127 19.000 0.047 0.000 0.819 203 A HN 0.852 nan 8.150 nan 0.000 0.442 204 R N -1.978 118.554 120.500 0.054 0.000 2.707 204 R HA 0.504 4.844 4.340 0.000 0.000 0.272 204 R C -1.154 175.173 176.300 0.044 0.000 1.011 204 R CA 0.125 56.260 56.100 0.058 0.000 0.893 204 R CB 1.418 31.769 30.300 0.085 0.000 1.233 204 R HN 0.626 nan 8.270 nan 0.000 0.464 205 c N -0.779 117.842 118.600 0.035 0.000 3.335 205 c HA 0.583 5.153 4.570 0.000 0.000 0.356 205 c C 0.493 174.597 174.090 0.024 0.000 1.570 205 c CA -0.852 55.494 56.329 0.028 0.000 1.271 205 c CB 1.991 44.512 42.510 0.019 0.000 1.873 205 c HN 0.970 nan 8.230 nan 0.000 0.439 206 K N 0.672 121.083 120.400 0.019 0.000 2.469 206 K HA 0.565 4.885 4.320 0.000 0.000 0.204 206 K C 0.309 176.914 176.600 0.008 0.000 1.047 206 K CA 0.745 57.041 56.287 0.014 0.000 1.072 206 K CB 0.560 33.069 32.500 0.016 0.000 0.863 206 K HN 1.709 nan 8.250 nan 0.000 0.530 207 G N 1.527 110.331 108.800 0.007 0.000 2.315 207 G HA2 0.121 4.081 3.960 0.000 0.000 0.294 207 G HA3 0.121 4.081 3.960 0.000 0.000 0.294 207 G C -2.819 172.083 174.900 0.002 0.000 1.300 207 G CA -0.786 44.316 45.100 0.003 0.000 0.843 207 G HN -0.192 nan 8.290 nan 0.000 0.527 208 P HA 0.106 nan 4.420 nan 0.000 0.220 208 P C 0.910 178.210 177.300 0.000 0.000 1.152 208 P CA 0.451 63.550 63.100 -0.001 0.000 0.812 208 P CB 0.204 31.902 31.700 -0.003 0.000 0.792 209 L N 0.273 121.496 121.223 0.002 0.000 2.452 209 L HA 0.164 4.504 4.340 0.000 0.000 0.267 209 L C -1.060 175.812 176.870 0.003 0.000 1.188 209 L CA -1.730 53.111 54.840 0.002 0.000 0.821 209 L CB -0.615 41.446 42.059 0.003 0.000 1.102 209 L HN -0.234 nan 8.230 nan 0.000 0.470 210 P HA -0.182 nan 4.420 nan 0.000 0.216 210 P C 1.587 178.889 177.300 0.004 0.000 1.150 210 P CA 1.422 64.523 63.100 0.002 0.000 0.837 210 P CB 0.043 31.742 31.700 -0.000 0.000 0.786 211 T N -2.988 111.569 114.554 0.005 0.000 3.007 211 T HA -0.115 4.235 4.350 0.000 0.000 0.270 211 T C 1.129 175.837 174.700 0.013 0.000 1.107 211 T CA 1.171 63.276 62.100 0.009 0.000 1.118 211 T CB -0.968 67.905 68.868 0.009 0.000 0.889 211 T HN -0.051 nan 8.240 nan 0.000 0.506 212 D N 0.522 120.929 120.400 0.012 0.000 2.363 212 D HA 0.164 4.804 4.640 0.000 0.000 0.226 212 D C 0.426 176.738 176.300 0.019 0.000 1.020 212 D CA -0.111 53.898 54.000 0.015 0.000 0.892 212 D CB -0.699 40.107 40.800 0.010 0.000 0.900 212 D HN 0.440 nan 8.370 nan 0.000 0.531 213 c N 0.908 119.518 118.600 0.018 0.000 2.644 213 c HA 0.180 4.750 4.570 0.000 0.000 0.417 213 c C 1.194 175.305 174.090 0.036 0.000 1.304 213 c CA -0.802 55.540 56.329 0.021 0.000 2.035 213 c CB 0.114 42.629 42.510 0.009 0.000 2.673 213 c HN 0.351 nan 8.230 nan 0.000 0.602 214 c N 3.440 122.069 118.600 0.049 0.000 2.422 214 c HA 0.241 4.811 4.570 0.000 0.000 0.364 214 c C 0.801 174.952 174.090 0.103 0.000 1.251 214 c CA -0.410 55.968 56.329 0.083 0.000 2.441 214 c CB -0.071 42.491 42.510 0.086 0.000 2.393 214 c HN 0.843 nan 8.230 nan 0.000 0.606 215 H N 1.606 120.710 119.070 0.057 0.000 2.871 215 H HA -0.016 4.540 4.556 0.000 0.000 0.355 215 H C 1.211 176.577 175.328 0.064 0.000 1.092 215 H CA 0.958 57.045 56.048 0.064 0.000 1.420 215 H CB 0.567 30.388 29.762 0.099 0.000 1.400 215 H HN 0.877 nan 8.280 nan 0.000 0.604 216 E N 2.649 122.889 120.200 0.066 0.000 2.265 216 E HA -0.188 4.162 4.350 0.000 0.000 0.196 216 E C 0.593 177.356 176.600 0.272 0.000 0.996 216 E CA 0.830 57.314 56.400 0.141 0.000 0.832 216 E CB 0.308 30.025 29.700 0.028 0.000 0.756 216 E HN 0.562 nan 8.360 nan 0.000 0.491 217 Q N 0.013 120.102 119.800 0.482 0.000 2.392 217 Q HA 0.086 4.426 4.340 0.000 0.000 0.203 217 Q C 0.630 176.697 176.000 0.111 0.000 0.917 217 Q CA 0.109 56.064 55.803 0.254 0.000 0.939 217 Q CB 0.071 28.916 28.738 0.179 0.000 1.063 217 Q HN 0.282 nan 8.270 nan 0.000 0.516 218 c N -0.422 118.259 118.600 0.135 0.000 2.639 218 c HA 0.483 5.053 4.570 0.000 0.000 0.360 218 c C 1.719 175.818 174.090 0.015 0.000 1.351 218 c CA 0.301 56.669 56.329 0.064 0.000 2.408 218 c CB 0.818 43.386 42.510 0.097 0.000 2.517 218 c HN 0.518 nan 8.230 nan 0.000 0.696 219 A N -0.321 122.492 122.820 -0.012 0.000 2.027 219 A HA 0.551 4.871 4.320 0.000 0.000 0.196 219 A C 1.403 178.986 177.584 -0.001 0.000 1.573 219 A CA 0.823 52.829 52.037 -0.052 0.000 1.097 219 A CB -0.604 18.312 19.000 -0.141 0.000 1.196 219 A HN 0.967 nan 8.150 nan 0.000 0.462 220 A N -0.885 121.938 122.820 0.006 0.000 2.343 220 A HA 0.573 4.893 4.320 0.000 0.000 0.223 220 A C 1.138 178.741 177.584 0.030 0.000 1.214 220 A CA 1.177 53.225 52.037 0.018 0.000 0.900 220 A CB -0.069 18.930 19.000 -0.002 0.000 0.942 220 A HN 2.071 nan 8.150 nan 0.000 0.507 221 G N -1.762 107.060 108.800 0.036 0.000 2.334 221 G HA2 0.354 4.314 3.960 0.000 0.000 0.315 221 G HA3 0.354 4.314 3.960 0.000 0.000 0.315 221 G C -0.506 174.414 174.900 0.033 0.000 1.284 221 G CA -0.180 44.942 45.100 0.036 0.000 0.985 221 G HN 1.665 nan 8.290 nan 0.000 0.504 222 c N -3.182 115.437 118.600 0.032 0.000 3.332 222 c HA 0.888 5.458 4.570 0.000 0.000 0.329 222 c C 1.342 175.446 174.090 0.024 0.000 1.434 222 c CA 0.472 56.820 56.329 0.033 0.000 1.314 222 c CB 1.102 43.643 42.510 0.052 0.000 1.664 222 c HN 1.843 nan 8.230 nan 0.000 0.457 223 T N -2.142 112.426 114.554 0.023 0.000 3.023 223 T HA 0.587 4.937 4.350 0.000 0.000 0.253 223 T C 0.639 175.352 174.700 0.023 0.000 1.038 223 T CA 0.668 62.779 62.100 0.017 0.000 0.962 223 T CB 0.103 68.977 68.868 0.010 0.000 1.018 223 T HN 2.071 nan 8.240 nan 0.000 0.521 224 G N 1.599 110.420 108.800 0.035 0.000 0.000 224 G HA2 0.483 4.443 3.960 0.000 0.000 0.000 224 G HA3 0.483 4.443 3.960 0.000 0.000 0.000 224 G C -2.722 172.216 174.900 0.064 0.000 0.000 224 G CA -0.688 44.438 45.100 0.042 0.000 0.000 224 G HN -0.181 nan 8.290 nan 0.000 0.000 225 P HA 0.170 nan 4.420 nan 0.000 0.240 225 P C 0.565 177.961 177.300 0.161 0.000 1.190 225 P CA 0.365 63.520 63.100 0.092 0.000 0.781 225 P CB 0.398 32.135 31.700 0.062 0.000 0.931 226 K N 0.390 120.890 120.400 0.168 0.000 2.132 226 K HA 0.063 4.383 4.320 0.000 0.000 0.240 226 K C 1.604 178.379 176.600 0.292 0.000 1.036 226 K CA -0.131 56.313 56.287 0.260 0.000 0.888 226 K CB 0.037 32.646 32.500 0.181 0.000 1.071 226 K HN 0.148 nan 8.250 nan 0.000 0.502 227 H N -0.850 118.212 119.070 -0.014 0.000 2.539 227 H HA 0.065 4.621 4.556 0.000 0.000 0.267 227 H C 0.498 175.749 175.328 -0.128 0.000 0.982 227 H CA 0.501 56.368 56.048 -0.302 0.000 1.146 227 H CB -0.210 29.061 29.762 -0.818 0.000 1.382 227 H HN 0.417 nan 8.280 nan 0.000 0.577 228 S N -0.624 114.958 115.700 -0.196 0.000 2.557 228 S HA 0.077 4.547 4.470 0.000 0.000 0.223 228 S C 0.366 174.926 174.600 -0.066 0.000 0.969 228 S CA -0.367 57.721 58.200 -0.187 0.000 0.927 228 S CB 0.224 63.302 63.200 -0.203 0.000 0.806 228 S HN 0.175 nan 8.310 nan 0.000 0.489 229 D N 1.150 121.542 120.400 -0.013 0.000 2.402 229 D HA 0.260 4.900 4.640 0.000 0.000 0.216 229 D C -0.140 176.169 176.300 0.016 0.000 1.128 229 D CA -0.193 53.813 54.000 0.010 0.000 0.833 229 D CB 0.265 41.087 40.800 0.036 0.000 0.971 229 D HN 0.356 nan 8.370 nan 0.000 0.503 230 c N 1.016 119.621 118.600 0.008 0.000 2.662 230 c HA 0.124 4.694 4.570 0.000 0.000 0.420 230 c C 2.337 176.428 174.090 0.001 0.000 1.314 230 c CA -0.418 55.919 56.329 0.014 0.000 1.963 230 c CB 0.101 42.614 42.510 0.005 0.000 2.686 230 c HN 0.308 nan 8.230 nan 0.000 0.609 231 L N 2.094 123.320 121.223 0.004 0.000 2.313 231 L HA 0.148 4.488 4.340 0.000 0.000 0.214 231 L C 1.114 177.976 176.870 -0.014 0.000 1.119 231 L CA 0.859 55.696 54.840 -0.005 0.000 0.809 231 L CB -0.338 41.719 42.059 -0.004 0.000 0.933 231 L HN 0.875 nan 8.230 nan 0.000 0.449 232 A N -1.930 120.879 122.820 -0.017 0.000 2.594 232 A HA 0.475 4.795 4.320 0.000 0.000 0.296 232 A C -1.365 176.193 177.584 -0.043 0.000 1.061 232 A CA -0.702 51.315 52.037 -0.033 0.000 0.689 232 A CB 0.733 19.707 19.000 -0.043 0.000 1.280 232 A HN -0.066 nan 8.150 nan 0.000 0.406 233 c N 1.782 120.349 118.600 -0.055 0.000 2.369 233 c HA 0.387 4.957 4.570 0.000 0.000 0.358 233 c C 2.111 176.104 174.090 -0.162 0.000 1.274 233 c CA -0.282 56.006 56.329 -0.068 0.000 1.935 233 c CB 0.098 42.593 42.510 -0.025 0.000 2.431 233 c HN 0.885 nan 8.230 nan 0.000 0.545 234 L N 1.463 122.550 121.223 -0.226 0.000 2.056 234 L HA -0.115 4.225 4.340 0.000 0.000 0.207 234 L C 1.679 178.144 176.870 -0.676 0.000 1.078 234 L CA 1.975 56.525 54.840 -0.484 0.000 0.749 234 L CB -0.125 41.575 42.059 -0.598 0.000 0.901 234 L HN 0.888 nan 8.230 nan 0.000 0.433 235 H N -3.091 115.868 119.070 -0.185 0.000 2.451 235 H HA 0.258 4.814 4.556 0.000 0.000 0.240 235 H C -0.563 174.400 175.328 -0.608 0.000 1.071 235 H CA -0.304 55.526 56.048 -0.362 0.000 1.477 235 H CB 0.338 29.977 29.762 -0.205 0.000 1.376 235 H HN -0.066 nan 8.280 nan 0.000 0.549 236 F N 0.578 120.607 119.950 0.132 0.000 2.563 236 F HA 0.308 4.835 4.527 0.000 0.000 0.316 236 F C -0.211 175.639 175.800 0.083 0.000 1.076 236 F CA -1.139 56.915 58.000 0.090 0.000 0.921 236 F CB 1.475 40.529 39.000 0.091 0.000 1.209 236 F HN 0.071 nan 8.300 nan 0.000 0.462 237 N N 1.454 120.336 118.700 0.302 0.000 2.678 237 N HA 0.030 4.770 4.740 0.000 0.000 0.231 237 N C -0.931 174.728 175.510 0.247 0.000 1.038 237 N CA -0.188 52.981 53.050 0.199 0.000 0.932 237 N CB -0.017 38.547 38.487 0.128 0.000 1.176 237 N HN 0.660 nan 8.380 nan 0.000 0.511 238 H N 2.976 122.111 119.070 0.109 0.000 3.014 238 H HA 0.082 4.638 4.556 0.000 0.000 0.266 238 H C -0.179 175.171 175.328 0.037 0.000 1.455 238 H CA -0.079 56.012 56.048 0.073 0.000 1.402 238 H CB -0.005 29.797 29.762 0.067 0.000 1.626 238 H HN 0.529 nan 8.280 nan 0.000 0.520 239 S N 3.139 118.888 115.700 0.081 0.000 3.559 239 S HA -0.238 4.232 4.470 0.000 0.000 0.369 239 S C 1.304 175.858 174.600 -0.077 0.000 0.987 239 S CA 0.969 59.154 58.200 -0.026 0.000 1.187 239 S CB -1.426 61.718 63.200 -0.093 0.000 0.914 239 S HN 1.222 nan 8.310 nan 0.000 0.480 240 G N -1.199 107.577 108.800 -0.040 0.000 2.259 240 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 240 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 240 G C -0.070 174.763 174.900 -0.112 0.000 1.001 240 G CA -0.057 45.002 45.100 -0.068 0.000 0.627 240 G HN 0.648 nan 8.290 nan 0.000 0.501 241 I N 1.728 122.219 120.570 -0.131 0.000 2.377 241 I HA 0.534 4.704 4.170 0.000 0.000 0.293 241 I C 0.514 176.618 176.117 -0.022 0.000 0.987 241 I CA -0.669 60.505 61.300 -0.209 0.000 1.185 241 I CB 1.605 39.426 38.000 -0.298 0.000 1.341 241 I HN 0.207 nan 8.210 nan 0.000 0.455 242 c N 5.831 124.415 118.600 -0.027 0.000 2.415 242 c HA 0.503 5.073 4.570 0.000 0.000 0.369 242 c C 0.418 174.597 174.090 0.149 0.000 1.279 242 c CA -0.358 56.013 56.329 0.069 0.000 1.886 242 c CB -0.913 41.608 42.510 0.018 0.000 2.468 242 c HN 0.724 nan 8.230 nan 0.000 0.553 243 E N 0.729 121.052 120.200 0.206 0.000 2.445 243 E HA 0.304 4.654 4.350 0.000 0.000 0.273 243 E C 0.118 176.853 176.600 0.226 0.000 0.961 243 E CA -0.834 55.693 56.400 0.212 0.000 0.807 243 E CB 1.276 31.107 29.700 0.219 0.000 1.362 243 E HN 0.432 nan 8.360 nan 0.000 0.453 244 L N 0.401 121.680 121.223 0.093 0.000 2.249 244 L HA 0.148 4.488 4.340 0.000 0.000 0.207 244 L C 0.089 176.781 176.870 -0.296 0.000 1.090 244 L CA 1.523 56.242 54.840 -0.203 0.000 0.802 244 L CB 0.203 42.029 42.059 -0.388 0.000 0.947 244 L HN 0.395 nan 8.230 nan 0.000 0.453 245 H N -2.748 116.428 119.070 0.178 0.000 2.960 245 H HA 0.389 4.945 4.556 0.000 0.000 0.338 245 H C -0.970 174.270 175.328 -0.146 0.000 1.261 245 H CA -1.026 55.060 56.048 0.062 0.000 1.136 245 H CB 1.006 30.765 29.762 -0.005 0.000 1.875 245 H HN -0.123 nan 8.280 nan 0.000 0.550 246 c N 3.138 121.598 118.600 -0.233 0.000 2.365 246 c HA 0.302 4.872 4.570 0.000 0.000 0.351 246 c C -1.766 172.168 174.090 -0.260 0.000 1.240 246 c CA -1.184 54.930 56.329 -0.359 0.000 2.062 246 c CB 0.569 42.775 42.510 -0.506 0.000 2.387 246 c HN 0.504 nan 8.230 nan 0.000 0.537 247 P HA 0.098 nan 4.420 nan 0.000 0.260 247 P C -0.118 177.069 177.300 -0.189 0.000 1.172 247 P CA 0.561 63.531 63.100 -0.217 0.000 0.760 247 P CB 0.187 31.741 31.700 -0.242 0.000 0.773 248 A N 3.912 126.651 122.820 -0.134 0.000 2.547 248 A HA -0.008 4.312 4.320 0.000 0.000 0.233 248 A C 1.537 179.012 177.584 -0.182 0.000 1.067 248 A CA -0.050 51.905 52.037 -0.137 0.000 0.763 248 A CB -0.273 18.678 19.000 -0.082 0.000 1.007 248 A HN 0.681 nan 8.150 nan 0.000 0.506 249 L N 1.197 122.293 121.223 -0.211 0.000 2.552 249 L HA 0.090 4.430 4.340 0.000 0.000 0.227 249 L C -0.047 176.707 176.870 -0.192 0.000 1.146 249 L CA 0.543 55.241 54.840 -0.237 0.000 0.858 249 L CB -0.075 41.824 42.059 -0.266 0.000 0.969 249 L HN 0.473 nan 8.230 nan 0.000 0.451 250 V N -1.200 118.577 119.914 -0.229 0.000 2.891 250 V HA 0.235 4.355 4.120 0.000 0.000 0.304 250 V C -0.515 175.314 176.094 -0.442 0.000 1.171 250 V CA -0.486 61.620 62.300 -0.324 0.000 0.943 250 V CB 2.607 34.204 31.823 -0.376 0.000 1.037 250 V HN -0.111 nan 8.190 nan 0.000 0.427 251 T N 5.118 119.454 114.554 -0.362 0.000 2.837 251 T HA 0.632 4.982 4.350 0.000 0.000 0.285 251 T C -0.987 173.520 174.700 -0.321 0.000 0.984 251 T CA 0.133 62.072 62.100 -0.268 0.000 1.049 251 T CB 0.556 69.348 68.868 -0.127 0.000 0.947 251 T HN 0.452 nan 8.240 nan 0.000 0.472 252 Y N 1.865 122.162 120.300 -0.003 0.000 2.534 252 Y HA 0.357 4.907 4.550 0.000 0.000 0.329 252 Y C 1.745 177.561 175.900 -0.139 0.000 1.154 252 Y CA -0.795 57.292 58.100 -0.023 0.000 1.192 252 Y CB 1.176 39.678 38.460 0.069 0.000 1.275 252 Y HN 0.563 nan 8.280 nan 0.000 0.491 253 N N -0.300 118.393 118.700 -0.011 0.000 2.336 253 N HA -0.112 4.628 4.740 0.000 0.000 0.177 253 N C 0.354 175.675 175.510 -0.315 0.000 1.018 253 N CA 1.611 54.580 53.050 -0.134 0.000 0.878 253 N CB 0.316 38.757 38.487 -0.076 0.000 0.997 253 N HN 0.941 nan 8.380 nan 0.000 0.433 254 T N -0.692 113.405 114.554 -0.762 0.000 7.113 254 T HA -0.130 4.220 4.350 0.000 0.000 0.290 254 T C -0.038 174.342 174.700 -0.534 0.000 2.138 254 T CA 1.817 63.368 62.100 -0.915 0.000 3.555 254 T CB -1.146 67.479 68.868 -0.405 0.000 1.347 254 T HN 0.375 nan 8.240 nan 0.000 0.958 255 D N -0.631 119.584 120.400 -0.308 0.000 2.716 255 D HA 0.223 4.863 4.640 0.000 0.000 0.273 255 D C 2.061 178.347 176.300 -0.023 0.000 1.024 255 D CA 1.353 55.287 54.000 -0.109 0.000 0.944 255 D CB -0.283 40.478 40.800 -0.065 0.000 1.186 255 D HN 0.448 nan 8.370 nan 0.000 0.485 256 T N -0.373 114.163 114.554 -0.030 0.000 3.035 256 T HA 0.057 4.407 4.350 0.000 0.000 0.259 256 T C 0.492 175.288 174.700 0.160 0.000 1.078 256 T CA -0.148 61.985 62.100 0.054 0.000 1.132 256 T CB -0.072 68.819 68.868 0.038 0.000 0.900 256 T HN 0.101 nan 8.240 nan 0.000 0.480 257 F N 1.501 121.471 119.950 0.033 0.000 3.067 257 F HA -0.164 4.363 4.527 0.000 0.000 0.279 257 F C 0.478 176.357 175.800 0.132 0.000 0.945 257 F CA -0.023 58.005 58.000 0.046 0.000 0.948 257 F CB -1.008 37.947 39.000 -0.076 0.000 0.898 257 F HN 0.068 nan 8.300 nan 0.000 0.746 258 E N 0.876 121.219 120.200 0.239 0.000 2.248 258 E HA 0.573 4.923 4.350 0.000 0.000 0.272 258 E C -0.275 176.442 176.600 0.195 0.000 1.008 258 E CA -0.304 56.220 56.400 0.206 0.000 0.856 258 E CB 1.682 31.447 29.700 0.109 0.000 1.120 258 E HN 0.130 nan 8.360 nan 0.000 0.397 259 S N 2.326 118.102 115.700 0.126 0.000 2.519 259 S HA 0.599 5.069 4.470 0.000 0.000 0.309 259 S C 0.003 174.568 174.600 -0.058 0.000 1.100 259 S CA -0.895 57.284 58.200 -0.035 0.000 1.059 259 S CB 0.804 63.908 63.200 -0.159 0.000 1.008 259 S HN 0.391 nan 8.310 nan 0.000 0.478 260 M N 3.895 123.446 119.600 -0.083 0.000 2.255 260 M HA 0.401 4.881 4.480 0.000 0.000 0.336 260 M C -2.245 173.993 176.300 -0.104 0.000 1.135 260 M CA -2.000 53.258 55.300 -0.069 0.000 1.145 260 M CB 0.679 33.248 32.600 -0.052 0.000 1.473 260 M HN 0.475 nan 8.290 nan 0.000 0.462 261 P HA 0.020 nan 4.420 nan 0.000 0.268 261 P C -1.294 175.960 177.300 -0.078 0.000 1.205 261 P CA -0.071 62.983 63.100 -0.077 0.000 0.771 261 P CB 0.283 31.959 31.700 -0.040 0.000 0.858 262 N N 4.130 122.774 118.700 -0.094 0.000 2.485 262 N HA 0.175 4.915 4.740 0.000 0.000 0.243 262 N C -1.357 174.120 175.510 -0.054 0.000 0.987 262 N CA -2.519 50.483 53.050 -0.080 0.000 0.940 262 N CB 0.517 38.942 38.487 -0.104 0.000 1.122 262 N HN 0.180 nan 8.380 nan 0.000 0.509 263 P HA -0.113 nan 4.420 nan 0.000 0.220 263 P C 0.342 177.642 177.300 -0.000 0.000 1.148 263 P CA 1.055 64.150 63.100 -0.009 0.000 0.803 263 P CB 0.549 32.248 31.700 -0.001 0.000 0.782 264 E N 0.074 120.272 120.200 -0.004 0.000 2.435 264 E HA 0.060 4.410 4.350 0.000 0.000 0.195 264 E C 1.337 177.933 176.600 -0.006 0.000 1.029 264 E CA 0.123 56.536 56.400 0.021 0.000 0.865 264 E CB -0.416 29.305 29.700 0.035 0.000 0.833 264 E HN 0.215 nan 8.360 nan 0.000 0.510 265 G N 1.454 110.218 108.800 -0.061 0.000 2.484 265 G HA2 0.123 4.083 3.960 0.000 0.000 0.235 265 G HA3 0.123 4.083 3.960 0.000 0.000 0.235 265 G C 0.206 175.019 174.900 -0.145 0.000 1.282 265 G CA -0.200 44.819 45.100 -0.135 0.000 0.857 265 G HN -0.053 nan 8.290 nan 0.000 0.571 266 R N 0.155 120.521 120.500 -0.223 0.000 2.836 266 R HA 0.336 4.676 4.340 0.000 0.000 0.269 266 R C -1.506 174.623 176.300 -0.285 0.000 1.010 266 R CA -0.808 55.197 56.100 -0.158 0.000 0.930 266 R CB 1.676 31.916 30.300 -0.100 0.000 1.218 266 R HN 0.568 nan 8.270 nan 0.000 0.473 267 Y N -0.088 120.183 120.300 -0.048 0.000 2.420 267 Y HA 0.227 4.777 4.550 0.000 0.000 0.334 267 Y C 0.818 176.694 175.900 -0.040 0.000 1.094 267 Y CA -0.520 57.560 58.100 -0.034 0.000 1.126 267 Y CB 1.657 40.123 38.460 0.011 0.000 1.217 267 Y HN 0.493 nan 8.280 nan 0.000 0.462 268 T N 0.457 115.069 114.554 0.096 0.000 2.761 268 T HA 0.395 4.745 4.350 0.000 0.000 0.296 268 T C -0.991 173.878 174.700 0.282 0.000 0.934 268 T CA -0.350 61.779 62.100 0.049 0.000 1.091 268 T CB -0.050 68.806 68.868 -0.020 0.000 0.896 268 T HN 0.436 nan 8.240 nan 0.000 0.515 269 F N 3.217 123.251 119.950 0.139 0.000 2.553 269 F HA 0.579 5.106 4.527 0.000 0.000 0.335 269 F C 0.818 176.691 175.800 0.122 0.000 1.148 269 F CA 0.210 58.251 58.000 0.069 0.000 0.963 269 F CB 0.838 39.814 39.000 -0.041 0.000 1.217 269 F HN 1.073 nan 8.300 nan 0.000 0.441 270 G N 4.256 112.791 108.800 -0.443 0.000 2.602 270 G HA2 -0.199 3.761 3.960 0.000 0.000 0.310 270 G HA3 -0.199 3.761 3.960 0.000 0.000 0.310 270 G C 0.451 175.307 174.900 -0.073 0.000 1.183 270 G CA 0.408 45.283 45.100 -0.375 0.000 0.979 270 G HN 1.782 nan 8.290 nan 0.000 0.545 271 A N 0.148 122.924 122.820 -0.073 0.000 2.676 271 A HA 0.742 5.062 4.320 0.000 0.000 0.297 271 A C 0.450 178.133 177.584 0.166 0.000 1.132 271 A CA 1.373 53.341 52.037 -0.114 0.000 0.972 271 A CB -0.217 18.669 19.000 -0.189 0.000 1.197 271 A HN 2.184 nan 8.150 nan 0.000 0.524 272 S N -1.566 114.383 115.700 0.414 0.000 2.541 272 S HA 0.548 5.018 4.470 0.000 0.000 0.271 272 S C -0.448 174.374 174.600 0.371 0.000 1.133 272 S CA -0.695 57.748 58.200 0.405 0.000 0.876 272 S CB 0.653 64.006 63.200 0.254 0.000 1.105 272 S HN 0.309 nan 8.310 nan 0.000 0.470 273 c N 2.004 120.744 118.600 0.232 0.000 2.601 273 c HA 0.772 5.342 4.570 0.000 0.000 0.409 273 c C 0.353 174.532 174.090 0.147 0.000 1.293 273 c CA -0.345 56.027 56.329 0.071 0.000 2.101 273 c CB 0.115 42.612 42.510 -0.022 0.000 2.639 273 c HN 0.744 nan 8.230 nan 0.000 0.592 274 V N 3.262 123.259 119.914 0.137 0.000 2.760 274 V HA 0.281 4.401 4.120 0.000 0.000 0.309 274 V C 0.859 177.053 176.094 0.166 0.000 1.077 274 V CA -0.086 62.303 62.300 0.147 0.000 0.910 274 V CB 2.474 34.378 31.823 0.136 0.000 1.008 274 V HN 1.078 nan 8.190 nan 0.000 0.424 275 T N 3.091 117.722 114.554 0.129 0.000 2.788 275 T HA 0.114 4.464 4.350 0.000 0.000 0.268 275 T C 0.437 175.252 174.700 0.191 0.000 1.044 275 T CA 1.440 63.624 62.100 0.141 0.000 1.139 275 T CB 0.057 68.979 68.868 0.090 0.000 0.867 275 T HN 1.008 nan 8.240 nan 0.000 0.454 276 A N -0.395 122.478 122.820 0.088 0.000 2.517 276 A HA 0.548 4.868 4.320 0.000 0.000 0.297 276 A C -0.301 177.198 177.584 -0.142 0.000 1.050 276 A CA -1.002 51.013 52.037 -0.038 0.000 0.694 276 A CB 0.803 19.786 19.000 -0.029 0.000 1.277 276 A HN 0.340 nan 8.150 nan 0.000 0.400 277 c N 3.181 121.614 118.600 -0.278 0.000 2.563 277 c HA 0.330 4.900 4.570 0.000 0.000 0.411 277 c C -1.412 172.517 174.090 -0.267 0.000 1.386 277 c CA 0.012 56.163 56.329 -0.297 0.000 1.703 277 c CB -0.781 41.583 42.510 -0.243 0.000 2.596 277 c HN 0.711 nan 8.230 nan 0.000 0.605 278 P HA 0.004 nan 4.420 nan 0.000 0.272 278 P C 0.594 177.901 177.300 0.013 0.000 1.254 278 P CA -0.202 62.719 63.100 -0.298 0.000 0.795 278 P CB 0.209 31.526 31.700 -0.639 0.000 1.022 279 Y N 1.464 121.760 120.300 -0.006 0.000 2.002 279 Y HA -0.325 4.225 4.550 0.000 0.000 0.268 279 Y C 1.808 177.762 175.900 0.091 0.000 1.177 279 Y CA 2.399 60.526 58.100 0.045 0.000 1.111 279 Y CB -1.166 37.325 38.460 0.051 0.000 0.952 279 Y HN 0.303 nan 8.280 nan 0.000 0.491 280 N N -0.902 117.736 118.700 -0.103 0.000 2.461 280 N HA -0.025 4.715 4.740 0.000 0.000 0.188 280 N C -0.968 174.390 175.510 -0.254 0.000 1.134 280 N CA 0.131 52.966 53.050 -0.359 0.000 0.878 280 N CB -0.254 38.085 38.487 -0.246 0.000 0.972 280 N HN 0.264 nan 8.380 nan 0.000 0.456 281 Y N -0.342 119.875 120.300 -0.139 0.000 2.458 281 Y HA 0.479 5.029 4.550 0.000 0.000 0.322 281 Y C 0.110 175.961 175.900 -0.080 0.000 1.259 281 Y CA -0.728 57.334 58.100 -0.063 0.000 1.302 281 Y CB 0.925 39.373 38.460 -0.020 0.000 1.314 281 Y HN -0.221 nan 8.280 nan 0.000 0.509 282 L N 1.528 122.827 121.223 0.127 0.000 2.349 282 L HA 0.467 4.807 4.340 0.000 0.000 0.278 282 L C -0.114 176.777 176.870 0.036 0.000 0.996 282 L CA -0.902 53.966 54.840 0.048 0.000 0.825 282 L CB 1.555 43.645 42.059 0.050 0.000 1.243 282 L HN 0.642 nan 8.230 nan 0.000 0.412 283 S N 1.192 116.849 115.700 -0.071 0.000 2.584 283 S HA 0.469 4.939 4.470 0.000 0.000 0.270 283 S C 0.031 174.646 174.600 0.025 0.000 1.346 283 S CA -0.434 57.665 58.200 -0.168 0.000 1.018 283 S CB 1.422 64.340 63.200 -0.470 0.000 0.899 283 S HN 0.600 nan 8.310 nan 0.000 0.542 284 T N 0.799 115.445 114.554 0.154 0.000 2.916 284 T HA 0.296 4.646 4.350 0.000 0.000 0.298 284 T C 0.146 174.979 174.700 0.221 0.000 1.031 284 T CA -0.561 61.645 62.100 0.177 0.000 0.993 284 T CB 1.508 70.478 68.868 0.170 0.000 1.045 284 T HN 0.663 nan 8.240 nan 0.000 0.454 285 D N 2.004 122.494 120.400 0.151 0.000 2.357 285 D HA -0.070 4.570 4.640 0.000 0.000 0.216 285 D C 1.594 177.952 176.300 0.096 0.000 0.973 285 D CA 0.812 54.886 54.000 0.123 0.000 0.912 285 D CB 0.401 41.255 40.800 0.091 0.000 0.900 285 D HN 0.243 nan 8.370 nan 0.000 0.501 286 V N -1.184 118.791 119.914 0.102 0.000 3.621 286 V HA 0.251 4.371 4.120 0.000 0.000 0.285 286 V C 1.216 177.338 176.094 0.047 0.000 1.346 286 V CA 0.807 63.147 62.300 0.067 0.000 1.104 286 V CB 0.544 32.407 31.823 0.067 0.000 0.913 286 V HN 0.350 nan 8.190 nan 0.000 0.432 287 G N 1.043 109.892 108.800 0.081 0.000 2.141 287 G HA2 -0.185 3.775 3.960 0.000 0.000 0.195 287 G HA3 -0.185 3.775 3.960 0.000 0.000 0.195 287 G C 0.178 175.178 174.900 0.168 0.000 1.012 287 G CA 0.499 45.597 45.100 -0.003 0.000 0.696 287 G HN 1.009 nan 8.290 nan 0.000 0.508 288 S N -1.761 114.116 115.700 0.294 0.000 2.745 288 S HA 0.815 5.285 4.470 0.000 0.000 0.306 288 S C -0.271 174.489 174.600 0.267 0.000 1.137 288 S CA -0.376 57.982 58.200 0.264 0.000 0.900 288 S CB 2.622 65.934 63.200 0.187 0.000 1.176 288 S HN 0.939 nan 8.310 nan 0.000 0.520 289 c N 2.073 120.821 118.600 0.247 0.000 2.346 289 c HA 0.896 5.466 4.570 0.000 0.000 0.326 289 c C 0.410 174.702 174.090 0.337 0.000 1.224 289 c CA -0.297 56.178 56.329 0.243 0.000 1.408 289 c CB 0.057 42.717 42.510 0.249 0.000 2.089 289 c HN 1.078 nan 8.230 nan 0.000 0.456 290 T N 0.202 114.936 114.554 0.300 0.000 2.716 290 T HA 0.662 5.012 4.350 0.000 0.000 0.286 290 T C 0.157 174.965 174.700 0.179 0.000 1.052 290 T CA -0.676 61.589 62.100 0.276 0.000 1.024 290 T CB 1.025 70.003 68.868 0.182 0.000 1.349 290 T HN 0.344 nan 8.240 nan 0.000 0.525 291 L N -0.255 121.026 121.223 0.097 0.000 2.731 291 L HA 0.461 4.801 4.340 0.000 0.000 0.240 291 L C -0.601 176.304 176.870 0.058 0.000 1.120 291 L CA -0.147 54.690 54.840 -0.006 0.000 0.913 291 L CB 1.067 43.081 42.059 -0.075 0.000 1.213 291 L HN 0.376 nan 8.230 nan 0.000 0.515 292 V N -0.696 119.278 119.914 0.099 0.000 2.569 292 V HA 0.225 4.345 4.120 0.000 0.000 0.301 292 V C -0.112 176.056 176.094 0.123 0.000 1.044 292 V CA -1.034 61.344 62.300 0.130 0.000 0.874 292 V CB 1.798 33.695 31.823 0.123 0.000 1.002 292 V HN 0.068 nan 8.190 nan 0.000 0.424 293 c N 7.535 126.215 118.600 0.133 0.000 2.611 293 c HA 0.213 4.783 4.570 0.000 0.000 0.416 293 c C -1.149 173.003 174.090 0.102 0.000 1.366 293 c CA -0.390 56.008 56.329 0.114 0.000 1.761 293 c CB -0.359 42.218 42.510 0.111 0.000 2.619 293 c HN 0.700 nan 8.230 nan 0.000 0.606 294 P HA 0.092 nan 4.420 nan 0.000 0.271 294 P C -0.296 177.055 177.300 0.085 0.000 1.233 294 P CA -0.467 62.681 63.100 0.080 0.000 0.789 294 P CB 0.385 32.130 31.700 0.075 0.000 0.951 295 L N 2.806 124.070 121.223 0.068 0.000 2.543 295 L HA -0.072 4.268 4.340 0.000 0.000 0.285 295 L C 1.357 178.331 176.870 0.174 0.000 1.236 295 L CA 0.855 55.749 54.840 0.089 0.000 0.871 295 L CB -1.321 40.743 42.059 0.009 0.000 1.121 295 L HN 0.585 nan 8.230 nan 0.000 0.501 296 H N 0.620 119.702 119.070 0.021 0.000 3.395 296 H HA -0.226 4.330 4.556 0.000 0.000 0.222 296 H C -0.055 175.287 175.328 0.024 0.000 1.099 296 H CA 0.719 56.778 56.048 0.018 0.000 1.182 296 H CB -0.699 29.072 29.762 0.016 0.000 1.188 296 H HN 0.691 nan 8.280 nan 0.000 0.317 297 N N 0.592 119.372 118.700 0.132 0.000 2.525 297 N HA 0.498 5.238 4.740 0.000 0.000 0.288 297 N C -0.388 175.161 175.510 0.065 0.000 1.242 297 N CA -0.357 52.745 53.050 0.087 0.000 0.905 297 N CB 1.761 40.303 38.487 0.091 0.000 1.258 297 N HN 0.237 nan 8.380 nan 0.000 0.551 298 Q N -0.116 119.719 119.800 0.059 0.000 2.391 298 Q HA 0.235 4.575 4.340 0.000 0.000 0.279 298 Q C -1.581 174.464 176.000 0.075 0.000 1.028 298 Q CA -0.527 55.306 55.803 0.051 0.000 0.836 298 Q CB 2.431 31.186 28.738 0.028 0.000 1.414 298 Q HN 0.470 nan 8.270 nan 0.000 0.397 299 E N 1.512 121.776 120.200 0.107 0.000 2.257 299 E HA 0.304 4.654 4.350 0.000 0.000 0.278 299 E C -1.028 175.629 176.600 0.095 0.000 1.049 299 E CA -0.290 56.183 56.400 0.123 0.000 0.876 299 E CB 0.790 30.615 29.700 0.208 0.000 1.035 299 E HN 0.349 nan 8.360 nan 0.000 0.419 300 V N 1.113 121.067 119.914 0.067 0.000 2.789 300 V HA 0.401 4.521 4.120 0.000 0.000 0.311 300 V C -0.040 176.079 176.094 0.042 0.000 1.073 300 V CA -0.995 61.337 62.300 0.054 0.000 0.921 300 V CB 1.900 33.749 31.823 0.045 0.000 1.009 300 V HN 0.503 nan 8.190 nan 0.000 0.426 301 T N 4.380 118.957 114.554 0.038 0.000 3.182 301 T HA 0.552 4.902 4.350 0.000 0.000 0.274 301 T C 0.755 175.474 174.700 0.031 0.000 0.997 301 T CA 0.654 62.773 62.100 0.032 0.000 1.082 301 T CB -0.089 68.797 68.868 0.031 0.000 1.005 301 T HN 1.313 nan 8.240 nan 0.000 0.688 302 A N 2.597 125.435 122.820 0.030 0.000 2.325 302 A HA 0.183 4.503 4.320 0.000 0.000 0.260 302 A C 1.375 178.977 177.584 0.030 0.000 1.133 302 A CA -0.385 51.670 52.037 0.030 0.000 0.801 302 A CB 0.166 19.184 19.000 0.029 0.000 1.092 302 A HN 0.770 nan 8.150 nan 0.000 0.504 303 E N -0.625 119.592 120.200 0.029 0.000 2.515 303 E HA -0.118 4.232 4.350 0.000 0.000 0.201 303 E C 0.208 176.825 176.600 0.028 0.000 1.071 303 E CA 0.618 57.034 56.400 0.027 0.000 0.880 303 E CB 0.033 29.748 29.700 0.026 0.000 0.828 303 E HN 0.565 nan 8.360 nan 0.000 0.540 304 D N -1.351 119.067 120.400 0.030 0.000 2.454 304 D HA 0.056 4.696 4.640 0.000 0.000 0.247 304 D C 1.500 177.822 176.300 0.037 0.000 1.143 304 D CA 1.220 55.239 54.000 0.033 0.000 0.972 304 D CB 0.199 41.020 40.800 0.035 0.000 1.070 304 D HN 0.276 nan 8.370 nan 0.000 0.433 305 G N -0.423 108.403 108.800 0.042 0.000 4.258 305 G HA2 -0.073 3.887 3.960 0.000 0.000 0.208 305 G HA3 -0.073 3.887 3.960 0.000 0.000 0.208 305 G C 0.084 175.018 174.900 0.056 0.000 0.777 305 G CA 0.001 45.131 45.100 0.050 0.000 0.836 305 G HN 0.217 nan 8.290 nan 0.000 0.499 306 T N 3.064 117.649 114.554 0.053 0.000 2.940 306 T HA 0.399 4.749 4.350 0.000 0.000 0.309 306 T C 0.153 174.864 174.700 0.018 0.000 1.056 306 T CA 0.118 62.243 62.100 0.042 0.000 1.137 306 T CB 1.400 70.287 68.868 0.032 0.000 0.976 306 T HN 0.149 nan 8.240 nan 0.000 0.547 307 Q N 1.845 121.642 119.800 -0.006 0.000 2.306 307 Q HA 0.495 4.835 4.340 0.000 0.000 0.241 307 Q C 0.069 176.066 176.000 -0.004 0.000 0.948 307 Q CA -0.128 55.670 55.803 -0.008 0.000 0.886 307 Q CB 1.396 30.114 28.738 -0.035 0.000 1.227 307 Q HN 0.582 nan 8.270 nan 0.000 0.457 308 R N 0.213 120.722 120.500 0.015 0.000 2.634 308 R HA 0.313 4.653 4.340 0.000 0.000 0.263 308 R C -1.641 174.686 176.300 0.045 0.000 1.060 308 R CA -0.465 55.647 56.100 0.020 0.000 0.898 308 R CB 1.258 31.570 30.300 0.020 0.000 1.253 308 R HN 0.707 nan 8.270 nan 0.000 0.461 309 c N 3.672 122.304 118.600 0.054 0.000 2.168 309 c HA 0.250 4.820 4.570 0.000 0.000 0.333 309 c C 0.253 174.386 174.090 0.071 0.000 1.106 309 c CA -0.434 55.937 56.329 0.071 0.000 1.574 309 c CB -0.718 41.842 42.510 0.084 0.000 2.055 309 c HN 0.698 nan 8.230 nan 0.000 0.473 310 E N 2.603 122.840 120.200 0.062 0.000 2.250 310 E HA 0.417 4.767 4.350 0.000 0.000 0.269 310 E C -0.628 176.005 176.600 0.055 0.000 1.018 310 E CA -0.710 55.724 56.400 0.058 0.000 0.873 310 E CB 1.041 30.769 29.700 0.048 0.000 1.134 310 E HN 0.485 nan 8.360 nan 0.000 0.403 311 K N 0.937 121.369 120.400 0.054 0.000 2.380 311 K HA 0.124 4.444 4.320 0.000 0.000 0.267 311 K C -0.713 175.904 176.600 0.028 0.000 0.990 311 K CA -0.418 55.898 56.287 0.050 0.000 0.946 311 K CB 0.435 32.965 32.500 0.051 0.000 0.937 311 K HN 0.519 nan 8.250 nan 0.000 0.491 312 c N 2.423 121.029 118.600 0.010 0.000 2.273 312 c HA 0.189 4.759 4.570 0.000 0.000 0.328 312 c C 1.764 175.833 174.090 -0.035 0.000 1.275 312 c CA -0.835 55.480 56.329 -0.022 0.000 1.704 312 c CB 0.527 43.002 42.510 -0.058 0.000 2.326 312 c HN 0.835 nan 8.230 nan 0.000 0.517 313 S N 2.505 118.192 115.700 -0.022 0.000 2.436 313 S HA -0.107 4.363 4.470 0.000 0.000 0.215 313 S C 1.012 175.584 174.600 -0.047 0.000 1.047 313 S CA 0.942 59.130 58.200 -0.021 0.000 1.086 313 S CB -0.260 62.935 63.200 -0.009 0.000 1.072 313 S HN 0.843 nan 8.310 nan 0.000 0.411 314 K N 2.121 122.495 120.400 -0.044 0.000 2.393 314 K HA 0.078 4.398 4.320 0.000 0.000 0.264 314 K C -2.719 173.822 176.600 -0.099 0.000 0.979 314 K CA -0.821 55.432 56.287 -0.056 0.000 0.893 314 K CB -0.987 31.489 32.500 -0.040 0.000 0.967 314 K HN 0.117 nan 8.250 nan 0.000 0.521 315 P HA -0.019 nan 4.420 nan 0.000 0.267 315 P C -0.533 176.700 177.300 -0.112 0.000 1.200 315 P CA -0.293 62.719 63.100 -0.146 0.000 0.772 315 P CB 0.377 32.020 31.700 -0.096 0.000 0.855 316 c N 2.383 120.910 118.600 -0.123 0.000 2.662 316 c HA 0.398 4.968 4.570 0.000 0.000 0.420 316 c C 1.277 175.328 174.090 -0.065 0.000 1.314 316 c CA -0.420 55.863 56.329 -0.077 0.000 1.963 316 c CB -0.664 41.811 42.510 -0.059 0.000 2.686 316 c HN 0.610 nan 8.230 nan 0.000 0.609 317 A N 4.737 127.523 122.820 -0.057 0.000 2.445 317 A HA 0.424 4.744 4.320 0.000 0.000 0.242 317 A C 0.782 178.317 177.584 -0.081 0.000 1.075 317 A CA -0.230 51.774 52.037 -0.055 0.000 0.777 317 A CB 0.296 19.273 19.000 -0.038 0.000 1.013 317 A HN 0.940 nan 8.150 nan 0.000 0.493 318 R N 1.171 121.627 120.500 -0.074 0.000 2.641 318 R HA 0.491 4.831 4.340 0.000 0.000 0.269 318 R C -1.080 175.129 176.300 -0.152 0.000 1.074 318 R CA -0.091 55.950 56.100 -0.098 0.000 1.133 318 R CB 0.259 30.520 30.300 -0.065 0.000 1.029 318 R HN 0.364 nan 8.270 nan 0.000 0.488 319 V N 1.432 121.191 119.914 -0.259 0.000 3.007 319 V HA 0.216 4.336 4.120 0.000 0.000 0.311 319 V C -0.609 175.227 176.094 -0.429 0.000 1.120 319 V CA -0.866 61.177 62.300 -0.429 0.000 0.980 319 V CB 2.449 33.743 31.823 -0.882 0.000 1.033 319 V HN 0.974 nan 8.190 nan 0.000 0.429 320 c N 4.458 122.937 118.600 -0.203 0.000 2.394 320 c HA 0.526 5.096 4.570 0.000 0.000 0.362 320 c C -0.389 173.672 174.090 -0.049 0.000 1.268 320 c CA -0.734 55.567 56.329 -0.047 0.000 1.828 320 c CB -0.919 41.689 42.510 0.162 0.000 2.442 320 c HN 0.663 nan 8.230 nan 0.000 0.549 321 Y N 1.591 122.032 120.300 0.235 0.000 2.334 321 Y HA 0.560 5.110 4.550 0.000 0.000 0.328 321 Y C 0.959 177.036 175.900 0.294 0.000 1.130 321 Y CA 0.414 58.667 58.100 0.255 0.000 1.163 321 Y CB 0.938 39.522 38.460 0.206 0.000 1.207 321 Y HN 0.823 nan 8.280 nan 0.000 0.471 322 G N 1.747 110.811 108.800 0.441 0.000 2.828 322 G HA2 0.539 4.499 3.960 0.000 0.000 0.244 322 G HA3 0.539 4.499 3.960 0.000 0.000 0.244 322 G C -0.919 174.095 174.900 0.189 0.000 1.365 322 G CA -1.072 44.242 45.100 0.357 0.000 1.041 322 G HN 0.541 nan 8.290 nan 0.000 0.560 323 L N 0.429 121.698 121.223 0.076 0.000 2.426 323 L HA 0.399 4.739 4.340 0.000 0.000 0.271 323 L C 1.533 178.394 176.870 -0.016 0.000 1.169 323 L CA 0.966 55.808 54.840 0.004 0.000 0.836 323 L CB 0.836 42.865 42.059 -0.050 0.000 1.112 323 L HN 1.016 nan 8.230 nan 0.000 0.465 324 G N 2.527 111.324 108.800 -0.005 0.000 2.143 324 G HA2 -0.286 3.674 3.960 0.000 0.000 0.248 324 G HA3 -0.286 3.674 3.960 0.000 0.000 0.248 324 G C -0.443 174.466 174.900 0.015 0.000 0.991 324 G CA 0.096 45.203 45.100 0.010 0.000 0.689 324 G HN 0.443 nan 8.290 nan 0.000 0.522 325 M N -0.072 119.533 119.600 0.009 0.000 2.326 325 M HA 0.607 5.087 4.480 0.000 0.000 0.292 325 M C 0.555 176.790 176.300 -0.108 0.000 1.081 325 M CA -0.682 54.618 55.300 0.000 0.000 0.919 325 M CB 1.556 34.254 32.600 0.164 0.000 1.634 325 M HN 0.166 nan 8.290 nan 0.000 0.451 326 E N 1.442 121.506 120.200 -0.226 0.000 3.439 326 E HA -0.324 4.026 4.350 0.000 0.000 0.385 326 E C 0.716 177.280 176.600 -0.060 0.000 1.557 326 E CA 2.148 58.408 56.400 -0.233 0.000 1.684 326 E CB -1.055 28.343 29.700 -0.503 0.000 1.677 326 E HN 0.996 nan 8.360 nan 0.000 0.455 327 H N 1.670 120.673 119.070 -0.112 0.000 2.563 327 H HA 0.067 4.623 4.556 0.000 0.000 0.272 327 H C 1.552 176.870 175.328 -0.017 0.000 1.005 327 H CA 1.039 57.057 56.048 -0.050 0.000 1.171 327 H CB -0.415 29.326 29.762 -0.035 0.000 1.351 327 H HN 0.217 nan 8.280 nan 0.000 0.602 328 L N 0.532 121.511 121.223 -0.407 0.000 3.110 328 L HA 0.307 4.647 4.340 0.000 0.000 0.266 328 L C 2.252 179.057 176.870 -0.109 0.000 1.257 328 L CA -0.255 54.416 54.840 -0.283 0.000 1.038 328 L CB 0.318 42.202 42.059 -0.292 0.000 1.395 328 L HN 0.041 nan 8.230 nan 0.000 0.566 329 R N 0.869 121.322 120.500 -0.079 0.000 2.091 329 R HA -0.121 4.219 4.340 0.000 0.000 0.238 329 R C 1.518 177.807 176.300 -0.019 0.000 1.136 329 R CA 1.395 57.473 56.100 -0.037 0.000 0.959 329 R CB 0.306 30.587 30.300 -0.031 0.000 0.856 329 R HN 0.282 nan 8.270 nan 0.000 0.437 330 E N -0.012 120.174 120.200 -0.023 0.000 2.481 330 E HA 0.067 4.417 4.350 0.000 0.000 0.198 330 E C -0.554 176.042 176.600 -0.007 0.000 1.027 330 E CA 0.016 56.411 56.400 -0.009 0.000 0.900 330 E CB 0.989 30.685 29.700 -0.008 0.000 0.993 330 E HN 0.065 nan 8.360 nan 0.000 0.482 331 V N 3.385 123.289 119.914 -0.018 0.000 2.488 331 V HA 0.043 4.163 4.120 0.000 0.000 0.277 331 V C 1.718 177.812 176.094 -0.000 0.000 1.046 331 V CA 0.034 62.326 62.300 -0.014 0.000 0.986 331 V CB 1.123 32.929 31.823 -0.028 0.000 0.989 331 V HN 0.218 nan 8.190 nan 0.000 0.475 332 R N 4.101 124.604 120.500 0.006 0.000 2.119 332 R HA 0.365 4.705 4.340 0.000 0.000 0.222 332 R C 0.583 176.889 176.300 0.010 0.000 1.088 332 R CA 1.059 57.169 56.100 0.016 0.000 0.984 332 R CB 0.122 30.435 30.300 0.022 0.000 0.884 332 R HN 0.657 nan 8.270 nan 0.000 0.447 333 A N 0.641 123.454 122.820 -0.010 0.000 2.609 333 A HA 0.486 4.806 4.320 0.000 0.000 0.291 333 A C -0.914 176.621 177.584 -0.081 0.000 1.096 333 A CA -0.783 51.224 52.037 -0.051 0.000 0.684 333 A CB 1.744 20.730 19.000 -0.022 0.000 1.282 333 A HN -0.030 nan 8.150 nan 0.000 0.412 334 V N 2.110 121.901 119.914 -0.204 0.000 2.585 334 V HA 0.466 4.586 4.120 0.000 0.000 0.296 334 V C 0.870 176.908 176.094 -0.094 0.000 1.035 334 V CA 1.108 63.322 62.300 -0.143 0.000 1.084 334 V CB 0.433 32.019 31.823 -0.394 0.000 0.953 334 V HN 1.227 nan 8.190 nan 0.000 0.483 335 T N 0.194 114.746 114.554 -0.002 0.000 2.838 335 T HA 0.326 4.676 4.350 0.000 0.000 0.292 335 T C 1.035 175.747 174.700 0.020 0.000 1.113 335 T CA 0.011 62.094 62.100 -0.029 0.000 1.008 335 T CB 1.532 70.386 68.868 -0.024 0.000 1.259 335 T HN 0.633 nan 8.240 nan 0.000 0.520 336 S N -0.121 115.580 115.700 0.002 0.000 2.500 336 S HA -0.011 4.459 4.470 0.000 0.000 0.239 336 S C 2.013 176.626 174.600 0.021 0.000 0.989 336 S CA 0.628 58.839 58.200 0.019 0.000 0.951 336 S CB -0.947 62.259 63.200 0.010 0.000 0.759 336 S HN 1.086 nan 8.310 nan 0.000 0.523 337 A N 2.238 125.069 122.820 0.018 0.000 2.169 337 A HA 0.153 4.473 4.320 0.000 0.000 0.212 337 A C 1.657 179.251 177.584 0.017 0.000 1.153 337 A CA 0.847 52.893 52.037 0.014 0.000 0.756 337 A CB -0.336 18.670 19.000 0.010 0.000 0.813 337 A HN 0.789 nan 8.150 nan 0.000 0.471 338 N N -1.854 116.870 118.700 0.040 0.000 2.082 338 N HA 0.071 4.811 4.740 0.000 0.000 0.228 338 N C 0.782 176.329 175.510 0.061 0.000 1.341 338 N CA 0.304 53.370 53.050 0.027 0.000 0.873 338 N CB -0.659 37.851 38.487 0.039 0.000 1.137 338 N HN 0.226 nan 8.380 nan 0.000 0.505 339 I N 0.539 121.196 120.570 0.145 0.000 2.252 339 I HA -0.153 4.017 4.170 0.000 0.000 0.245 339 I C 1.871 178.064 176.117 0.126 0.000 1.102 339 I CA 1.514 62.971 61.300 0.262 0.000 1.385 339 I CB 0.059 38.166 38.000 0.179 0.000 1.064 339 I HN 0.018 nan 8.210 nan 0.000 0.414 340 Q N 0.763 120.569 119.800 0.010 0.000 2.234 340 Q HA -0.268 4.072 4.340 0.000 0.000 0.206 340 Q C 2.008 177.950 176.000 -0.098 0.000 0.980 340 Q CA 1.437 57.216 55.803 -0.040 0.000 0.869 340 Q CB -0.361 28.355 28.738 -0.036 0.000 0.912 340 Q HN 0.634 nan 8.270 nan 0.000 0.436 341 E N -1.028 119.046 120.200 -0.211 0.000 2.267 341 E HA -0.162 4.188 4.350 0.000 0.000 0.197 341 E C 0.857 177.193 176.600 -0.441 0.000 0.998 341 E CA 0.654 56.828 56.400 -0.375 0.000 0.830 341 E CB -0.043 29.309 29.700 -0.580 0.000 0.751 341 E HN 0.388 nan 8.360 nan 0.000 0.491 342 F N 0.054 120.000 119.950 -0.007 0.000 2.727 342 F HA 0.252 4.779 4.527 -0.000 0.000 0.302 342 F C 0.949 176.711 175.800 -0.064 0.000 1.097 342 F CA -0.444 57.555 58.000 -0.002 0.000 1.330 342 F CB 0.195 39.205 39.000 0.016 0.000 1.084 342 F HN -0.180 nan 8.300 nan 0.000 0.578 343 A N 0.871 123.702 122.820 0.019 0.000 2.553 343 A HA 0.346 4.666 4.320 0.000 0.000 0.258 343 A C 1.601 179.195 177.584 0.016 0.000 1.069 343 A CA 0.940 52.969 52.037 -0.013 0.000 0.767 343 A CB -0.994 17.987 19.000 -0.033 0.000 0.997 343 A HN 0.955 nan 8.150 nan 0.000 0.512 344 G N 1.272 110.087 108.800 0.024 0.000 2.205 344 G HA2 -0.279 3.681 3.960 0.000 0.000 0.261 344 G HA3 -0.279 3.681 3.960 0.000 0.000 0.261 344 G C 0.462 175.403 174.900 0.068 0.000 0.980 344 G CA 0.167 45.289 45.100 0.036 0.000 0.632 344 G HN 1.196 nan 8.290 nan 0.000 0.533 345 c N 0.932 119.597 118.600 0.109 0.000 2.648 345 c HA 0.413 4.983 4.570 0.000 0.000 0.415 345 c C 1.884 176.063 174.090 0.148 0.000 1.366 345 c CA 0.676 57.094 56.329 0.148 0.000 1.756 345 c CB 0.738 43.391 42.510 0.238 0.000 2.549 345 c HN 0.572 nan 8.230 nan 0.000 0.597 346 K N 0.949 121.422 120.400 0.121 0.000 2.242 346 K HA 0.058 4.378 4.320 0.000 0.000 0.200 346 K C 0.700 177.359 176.600 0.098 0.000 1.050 346 K CA 0.783 57.132 56.287 0.103 0.000 0.981 346 K CB 0.231 32.776 32.500 0.075 0.000 0.795 346 K HN 0.595 nan 8.250 nan 0.000 0.477 347 K N 1.282 121.748 120.400 0.110 0.000 2.541 347 K HA 0.315 4.635 4.320 0.000 0.000 0.250 347 K C -1.454 175.207 176.600 0.103 0.000 0.950 347 K CA -0.361 55.954 56.287 0.048 0.000 0.805 347 K CB 1.201 33.691 32.500 -0.018 0.000 1.166 347 K HN -0.091 nan 8.250 nan 0.000 0.430 348 I N 4.857 125.458 120.570 0.051 0.000 2.321 348 I HA 0.243 4.413 4.170 0.000 0.000 0.291 348 I C -0.656 175.475 176.117 0.023 0.000 0.998 348 I CA -0.853 60.541 61.300 0.156 0.000 1.227 348 I CB 0.677 38.793 38.000 0.194 0.000 1.368 348 I HN 0.507 nan 8.210 nan 0.000 0.466 349 F N 5.807 125.779 119.950 0.038 0.000 2.423 349 F HA 0.566 5.093 4.527 -0.000 0.000 0.356 349 F C 1.023 176.921 175.800 0.163 0.000 1.170 349 F CA -0.078 57.965 58.000 0.072 0.000 1.163 349 F CB 0.182 39.196 39.000 0.025 0.000 1.318 349 F HN 0.642 nan 8.300 nan 0.000 0.569 350 G N 1.080 109.976 108.800 0.160 0.000 2.302 350 G HA2 0.287 4.247 3.960 0.000 0.000 0.264 350 G HA3 0.287 4.247 3.960 0.000 0.000 0.264 350 G C -1.298 173.557 174.900 -0.074 0.000 1.335 350 G CA -0.721 44.431 45.100 0.087 0.000 0.982 350 G HN 0.500 nan 8.290 nan 0.000 0.473 351 S N -0.973 114.611 115.700 -0.193 0.000 2.671 351 S HA 0.862 5.332 4.470 0.000 0.000 0.299 351 S C -0.759 173.647 174.600 -0.323 0.000 1.116 351 S CA -0.792 57.154 58.200 -0.424 0.000 0.912 351 S CB 1.940 64.470 63.200 -1.116 0.000 1.130 351 S HN 0.793 nan 8.310 nan 0.000 0.501 352 L N 1.097 122.111 121.223 -0.348 0.000 2.362 352 L HA 0.815 5.155 4.340 0.000 0.000 0.275 352 L C -0.419 176.318 176.870 -0.222 0.000 0.998 352 L CA -0.759 53.871 54.840 -0.351 0.000 0.820 352 L CB 1.748 43.548 42.059 -0.432 0.000 1.270 352 L HN 0.826 nan 8.230 nan 0.000 0.415 353 A N 3.038 125.721 122.820 -0.228 0.000 2.330 353 A HA 0.822 5.142 4.320 0.000 0.000 0.313 353 A C -1.248 176.238 177.584 -0.163 0.000 1.124 353 A CA -0.295 51.762 52.037 0.034 0.000 0.774 353 A CB 0.549 19.641 19.000 0.154 0.000 1.198 353 A HN 0.508 nan 8.150 nan 0.000 0.465 354 F N 3.035 123.139 119.950 0.257 0.000 2.347 354 F HA 0.525 5.052 4.527 0.000 0.000 0.366 354 F C -0.186 175.788 175.800 0.290 0.000 1.107 354 F CA -0.500 57.661 58.000 0.268 0.000 1.058 354 F CB 1.309 40.599 39.000 0.482 0.000 1.236 354 F HN 0.303 nan 8.300 nan 0.000 0.456 355 L N 5.270 126.689 121.223 0.327 0.000 2.335 355 L HA 0.554 4.894 4.340 0.000 0.000 0.268 355 L C -1.431 175.607 176.870 0.280 0.000 1.016 355 L CA -2.485 52.529 54.840 0.291 0.000 0.805 355 L CB 0.814 42.994 42.059 0.202 0.000 1.311 355 L HN 0.147 nan 8.230 nan 0.000 0.456 356 P HA -0.192 nan 4.420 nan 0.000 0.216 356 P C 1.095 178.497 177.300 0.170 0.000 1.150 356 P CA 1.091 64.327 63.100 0.227 0.000 0.837 356 P CB 0.166 31.959 31.700 0.155 0.000 0.786 357 E N -0.498 119.767 120.200 0.109 0.000 2.338 357 E HA -0.110 4.240 4.350 0.000 0.000 0.197 357 E C 1.452 178.051 176.600 -0.002 0.000 1.007 357 E CA 0.982 57.416 56.400 0.057 0.000 0.849 357 E CB -0.608 29.119 29.700 0.045 0.000 0.774 357 E HN 0.105 nan 8.360 nan 0.000 0.506 358 S N -0.027 115.634 115.700 -0.065 0.000 2.368 358 S HA -0.064 4.406 4.470 0.000 0.000 0.225 358 S C 1.291 175.653 174.600 -0.397 0.000 1.030 358 S CA 1.403 59.412 58.200 -0.319 0.000 0.999 358 S CB -0.207 62.636 63.200 -0.596 0.000 0.844 358 S HN 0.398 nan 8.310 nan 0.000 0.459 359 F N 1.268 121.268 119.950 0.084 0.000 2.553 359 F HA 0.194 4.721 4.527 0.000 0.000 0.282 359 F C 0.596 176.412 175.800 0.026 0.000 1.089 359 F CA -0.387 57.637 58.000 0.041 0.000 1.411 359 F CB 0.184 39.196 39.000 0.019 0.000 1.125 359 F HN 0.070 nan 8.300 nan 0.000 0.610 360 D N 1.251 121.768 120.400 0.195 0.000 2.256 360 D HA 0.278 4.918 4.640 0.000 0.000 0.250 360 D C 0.529 176.872 176.300 0.071 0.000 1.093 360 D CA -0.082 53.984 54.000 0.110 0.000 0.882 360 D CB 1.712 42.566 40.800 0.090 0.000 1.185 360 D HN 0.118 nan 8.370 nan 0.000 0.437 361 G N 0.596 109.426 108.800 0.050 0.000 2.611 361 G HA2 0.184 4.144 3.960 0.000 0.000 0.273 361 G HA3 0.184 4.144 3.960 0.000 0.000 0.273 361 G C -0.543 174.372 174.900 0.025 0.000 1.305 361 G CA -0.459 44.658 45.100 0.028 0.000 1.010 361 G HN 0.618 nan 8.290 nan 0.000 0.509 362 D N -0.254 120.156 120.400 0.016 0.000 2.373 362 D HA 0.365 5.005 4.640 0.000 0.000 0.227 362 D C -1.059 175.250 176.300 0.015 0.000 1.091 362 D CA -1.703 52.307 54.000 0.017 0.000 0.840 362 D CB 1.990 42.798 40.800 0.014 0.000 1.060 362 D HN 0.011 nan 8.370 nan 0.000 0.502 363 P HA -0.214 nan 4.420 nan 0.000 0.202 363 P C 1.243 178.550 177.300 0.012 0.000 1.171 363 P CA 1.754 64.863 63.100 0.014 0.000 0.925 363 P CB -0.323 31.386 31.700 0.015 0.000 0.760 364 A N -0.409 122.419 122.820 0.012 0.000 1.779 364 A HA -0.309 4.011 4.320 0.000 0.000 0.327 364 A C 1.720 179.309 177.584 0.009 0.000 4.078 364 A CA 3.048 55.091 52.037 0.010 0.000 1.006 364 A CB -2.141 16.866 19.000 0.011 0.000 0.657 364 A HN 0.397 nan 8.150 nan 0.000 0.491 365 S N 1.009 116.714 115.700 0.009 0.000 2.665 365 S HA 0.387 4.857 4.470 0.000 0.000 0.230 365 S C 0.023 174.627 174.600 0.007 0.000 1.326 365 S CA 0.081 58.285 58.200 0.007 0.000 1.055 365 S CB -0.419 62.785 63.200 0.007 0.000 1.178 365 S HN 0.801 nan 8.310 nan 0.000 0.489 366 N N 2.185 120.889 118.700 0.007 0.000 2.972 366 N HA -0.174 4.566 4.740 0.000 0.000 0.295 366 N C -0.576 174.938 175.510 0.007 0.000 1.162 366 N CA 0.557 53.611 53.050 0.007 0.000 0.895 366 N CB -1.161 37.329 38.487 0.006 0.000 1.022 366 N HN 0.326 nan 8.380 nan 0.000 0.610 367 T N -1.515 113.043 114.554 0.007 0.000 2.864 367 T HA 0.702 5.052 4.350 0.000 0.000 0.310 367 T C 0.339 175.044 174.700 0.008 0.000 1.040 367 T CA -0.654 61.450 62.100 0.006 0.000 0.977 367 T CB 1.174 70.044 68.868 0.004 0.000 0.976 367 T HN 0.642 nan 8.240 nan 0.000 0.459 368 A N 5.316 128.141 122.820 0.008 0.000 2.498 368 A HA 0.524 4.844 4.320 0.000 0.000 0.239 368 A C -1.956 175.637 177.584 0.014 0.000 1.068 368 A CA -1.291 50.753 52.037 0.012 0.000 0.766 368 A CB -0.464 18.543 19.000 0.012 0.000 1.003 368 A HN 0.620 nan 8.150 nan 0.000 0.497 369 P HA -0.012 nan 4.420 nan 0.000 0.261 369 P C -0.335 176.990 177.300 0.042 0.000 1.173 369 P CA -0.077 63.046 63.100 0.039 0.000 0.760 369 P CB 0.222 31.959 31.700 0.061 0.000 0.783 370 L N 4.605 125.841 121.223 0.022 0.000 2.562 370 L HA 0.005 4.345 4.340 0.000 0.000 0.271 370 L C 0.649 177.609 176.870 0.149 0.000 1.167 370 L CA 0.725 55.590 54.840 0.040 0.000 0.917 370 L CB -0.461 41.537 42.059 -0.101 0.000 1.187 370 L HN 0.304 nan 8.230 nan 0.000 0.482 371 Q N 6.747 126.600 119.800 0.089 0.000 2.306 371 Q HA 0.231 4.571 4.340 0.000 0.000 0.241 371 Q C -1.620 174.405 176.000 0.042 0.000 0.948 371 Q CA -1.735 54.104 55.803 0.060 0.000 0.886 371 Q CB 0.595 29.345 28.738 0.021 0.000 1.227 371 Q HN 0.451 nan 8.270 nan 0.000 0.457 372 P HA -0.179 nan 4.420 nan 0.000 0.217 372 P C 0.953 178.194 177.300 -0.099 0.000 1.150 372 P CA 1.276 64.296 63.100 -0.132 0.000 0.832 372 P CB 0.221 31.799 31.700 -0.203 0.000 0.787 373 E N 0.465 120.629 120.200 -0.060 0.000 2.265 373 E HA -0.239 4.111 4.350 0.000 0.000 0.196 373 E C 1.710 178.291 176.600 -0.032 0.000 0.996 373 E CA 1.080 57.453 56.400 -0.046 0.000 0.832 373 E CB -0.948 28.731 29.700 -0.034 0.000 0.756 373 E HN 0.385 nan 8.360 nan 0.000 0.491 374 Q N 0.403 120.195 119.800 -0.013 0.000 2.364 374 Q HA 0.027 4.367 4.340 0.000 0.000 0.207 374 Q C 2.201 178.202 176.000 0.001 0.000 0.970 374 Q CA 0.592 56.394 55.803 -0.001 0.000 0.888 374 Q CB -0.073 28.682 28.738 0.028 0.000 0.951 374 Q HN 0.360 nan 8.270 nan 0.000 0.469 375 L N 0.159 121.391 121.223 0.015 0.000 2.465 375 L HA -0.156 4.184 4.340 0.000 0.000 0.224 375 L C 1.852 178.739 176.870 0.028 0.000 1.145 375 L CA 0.615 55.502 54.840 0.079 0.000 0.834 375 L CB -0.193 41.829 42.059 -0.062 0.000 0.944 375 L HN 0.252 nan 8.230 nan 0.000 0.451 376 Q N -0.269 119.510 119.800 -0.035 0.000 2.439 376 Q HA -0.143 4.197 4.340 0.000 0.000 0.211 376 Q C 2.291 178.245 176.000 -0.076 0.000 0.978 376 Q CA 1.304 57.082 55.803 -0.043 0.000 0.897 376 Q CB -0.073 28.643 28.738 -0.037 0.000 0.956 376 Q HN 0.625 nan 8.270 nan 0.000 0.483 377 V N -2.567 117.244 119.914 -0.172 0.000 2.469 377 V HA -0.234 3.886 4.120 0.000 0.000 0.251 377 V C 1.569 177.521 176.094 -0.237 0.000 1.064 377 V CA 1.556 63.704 62.300 -0.255 0.000 1.066 377 V CB -0.936 30.646 31.823 -0.401 0.000 0.667 377 V HN 0.238 nan 8.190 nan 0.000 0.461 378 F N 0.703 120.649 119.950 -0.007 0.000 2.802 378 F HA 0.155 4.682 4.527 0.000 0.000 0.300 378 F C 2.308 178.092 175.800 -0.027 0.000 1.168 378 F CA 0.795 58.783 58.000 -0.021 0.000 1.433 378 F CB -0.450 38.412 39.000 -0.230 0.000 1.115 378 F HN 0.188 nan 8.300 nan 0.000 0.582 379 E N -0.176 120.071 120.200 0.079 0.000 2.347 379 E HA -0.154 4.196 4.350 0.000 0.000 0.196 379 E C 2.285 178.928 176.600 0.071 0.000 1.008 379 E CA 1.395 57.829 56.400 0.056 0.000 0.852 379 E CB -0.011 29.700 29.700 0.017 0.000 0.783 379 E HN 0.370 nan 8.360 nan 0.000 0.505 380 T N -0.910 113.694 114.554 0.085 0.000 3.051 380 T HA 0.003 4.353 4.350 0.000 0.000 0.255 380 T C 0.736 175.504 174.700 0.115 0.000 1.085 380 T CA -0.384 61.764 62.100 0.081 0.000 1.109 380 T CB 0.007 68.913 68.868 0.063 0.000 0.921 380 T HN -0.040 nan 8.240 nan 0.000 0.488 381 L N 2.277 123.609 121.223 0.181 0.000 2.559 381 L HA 0.231 4.571 4.340 0.000 0.000 0.274 381 L C 0.904 177.863 176.870 0.149 0.000 1.205 381 L CA 0.781 55.749 54.840 0.214 0.000 0.907 381 L CB 0.361 42.643 42.059 0.372 0.000 1.153 381 L HN 0.256 nan 8.230 nan 0.000 0.490 382 E N 2.489 122.747 120.200 0.097 0.000 2.364 382 E HA 0.144 4.494 4.350 0.000 0.000 0.203 382 E C -0.269 176.342 176.600 0.017 0.000 0.888 382 E CA 0.084 56.514 56.400 0.050 0.000 0.989 382 E CB 0.675 30.397 29.700 0.037 0.000 0.985 382 E HN 0.707 nan 8.360 nan 0.000 0.499 383 E N 0.901 121.105 120.200 0.006 0.000 2.308 383 E HA 0.402 4.752 4.350 0.000 0.000 0.275 383 E C -1.484 175.073 176.600 -0.071 0.000 0.890 383 E CA -0.407 55.964 56.400 -0.048 0.000 0.754 383 E CB 1.580 31.230 29.700 -0.084 0.000 1.207 383 E HN -0.043 nan 8.360 nan 0.000 0.426 384 I N 3.536 124.049 120.570 -0.095 0.000 2.436 384 I HA 0.185 4.355 4.170 0.000 0.000 0.289 384 I C 1.283 177.320 176.117 -0.132 0.000 1.010 384 I CA -0.408 60.823 61.300 -0.114 0.000 1.098 384 I CB 2.079 40.005 38.000 -0.122 0.000 1.266 384 I HN 0.742 nan 8.210 nan 0.000 0.434 385 T N 0.921 115.375 114.554 -0.167 0.000 3.009 385 T HA 0.112 4.462 4.350 0.000 0.000 0.258 385 T C 1.163 175.817 174.700 -0.076 0.000 1.063 385 T CA 0.590 62.597 62.100 -0.155 0.000 1.139 385 T CB 0.075 68.811 68.868 -0.220 0.000 0.890 385 T HN 0.654 nan 8.240 nan 0.000 0.471 386 G N 1.191 109.948 108.800 -0.071 0.000 3.311 386 G HA2 0.502 4.462 3.960 0.000 0.000 0.169 386 G HA3 0.502 4.462 3.960 0.000 0.000 0.169 386 G C -0.357 174.557 174.900 0.024 0.000 1.852 386 G CA -0.281 44.793 45.100 -0.043 0.000 1.010 386 G HN 0.680 nan 8.290 nan 0.000 0.530 387 Y N -2.128 118.186 120.300 0.023 0.000 2.605 387 Y HA 0.765 5.315 4.550 0.000 0.000 0.343 387 Y C -1.093 174.807 175.900 -0.000 0.000 1.036 387 Y CA -2.018 56.103 58.100 0.036 0.000 1.065 387 Y CB 1.520 40.045 38.460 0.108 0.000 1.288 387 Y HN 0.408 nan 8.280 nan 0.000 0.481 388 L N 3.130 124.487 121.223 0.223 0.000 2.295 388 L HA 0.503 4.843 4.340 0.000 0.000 0.285 388 L C -1.794 175.244 176.870 0.280 0.000 1.035 388 L CA -0.945 53.952 54.840 0.096 0.000 0.806 388 L CB 0.842 42.804 42.059 -0.162 0.000 1.214 388 L HN 0.749 nan 8.230 nan 0.000 0.426 389 Y N 5.936 126.331 120.300 0.159 0.000 2.327 389 Y HA 0.628 5.178 4.550 0.000 0.000 0.325 389 Y C -1.093 174.888 175.900 0.136 0.000 0.999 389 Y CA -0.782 57.364 58.100 0.076 0.000 1.195 389 Y CB 1.133 39.614 38.460 0.035 0.000 1.132 389 Y HN 0.539 nan 8.280 nan 0.000 0.455 390 I N 5.916 126.313 120.570 -0.289 0.000 2.405 390 I HA 0.209 4.379 4.170 0.000 0.000 0.280 390 I C 0.398 176.340 176.117 -0.291 0.000 1.027 390 I CA -0.310 60.935 61.300 -0.093 0.000 1.161 390 I CB 1.603 39.543 38.000 -0.100 0.000 1.300 390 I HN 0.726 nan 8.210 nan 0.000 0.463 391 S N 3.521 119.123 115.700 -0.163 0.000 2.540 391 S HA 0.587 5.057 4.470 0.000 0.000 0.218 391 S C 0.455 175.106 174.600 0.086 0.000 0.977 391 S CA -0.239 57.895 58.200 -0.109 0.000 0.918 391 S CB 0.584 63.772 63.200 -0.020 0.000 0.806 391 S HN 0.616 nan 8.310 nan 0.000 0.496 392 A N 0.607 123.573 122.820 0.245 0.000 2.594 392 A HA 0.683 5.003 4.320 0.000 0.000 0.295 392 A C -1.940 175.892 177.584 0.413 0.000 1.071 392 A CA -0.638 51.579 52.037 0.300 0.000 0.685 392 A CB 1.177 20.405 19.000 0.381 0.000 1.285 392 A HN 0.516 nan 8.150 nan 0.000 0.405 393 W N 1.991 123.152 121.300 -0.232 0.000 3.707 393 W HA 0.411 5.071 4.660 0.000 0.000 0.294 393 W C -3.205 172.940 176.519 -0.623 0.000 1.248 393 W CA -1.592 55.427 57.345 -0.543 0.000 1.217 393 W CB 1.656 30.935 29.460 -0.302 0.000 1.306 393 W HN 0.552 nan 8.180 nan 0.000 0.532 394 P HA -0.012 nan 4.420 nan 0.000 0.261 394 P C 0.462 177.548 177.300 -0.357 0.000 1.183 394 P CA 0.756 63.411 63.100 -0.741 0.000 0.761 394 P CB 0.750 31.974 31.700 -0.793 0.000 0.785 395 D N 1.239 121.509 120.400 -0.216 0.000 2.182 395 D HA -0.143 4.497 4.640 0.000 0.000 0.201 395 D C 1.703 177.930 176.300 -0.121 0.000 0.986 395 D CA 1.648 55.576 54.000 -0.120 0.000 0.847 395 D CB -0.278 40.471 40.800 -0.084 0.000 0.942 395 D HN 0.379 nan 8.370 nan 0.000 0.467 396 S N -0.708 114.906 115.700 -0.144 0.000 2.547 396 S HA -0.053 4.417 4.470 0.000 0.000 0.235 396 S C 0.815 175.344 174.600 -0.119 0.000 0.980 396 S CA 0.166 58.294 58.200 -0.120 0.000 0.941 396 S CB -0.300 62.832 63.200 -0.113 0.000 0.763 396 S HN 0.141 nan 8.310 nan 0.000 0.532 397 L N 2.141 123.286 121.223 -0.131 0.000 2.298 397 L HA 0.434 4.774 4.340 0.000 0.000 0.284 397 L C -1.948 174.887 176.870 -0.059 0.000 1.013 397 L CA -2.042 52.754 54.840 -0.072 0.000 0.824 397 L CB 1.849 43.881 42.059 -0.046 0.000 1.221 397 L HN -0.071 nan 8.230 nan 0.000 0.418 398 P HA 0.074 nan 4.420 nan 0.000 0.255 398 P C -0.899 176.001 177.300 -0.668 0.000 1.248 398 P CA 0.449 63.287 63.100 -0.437 0.000 0.807 398 P CB 0.133 31.478 31.700 -0.592 0.000 1.150 399 D N -1.502 118.670 120.400 -0.379 0.000 2.692 399 D HA 0.093 4.733 4.640 0.000 0.000 0.303 399 D C -0.196 176.010 176.300 -0.157 0.000 1.278 399 D CA -0.807 52.967 54.000 -0.377 0.000 0.852 399 D CB 0.118 40.657 40.800 -0.434 0.000 1.375 399 D HN -0.208 nan 8.370 nan 0.000 0.453 400 L N 0.961 122.064 121.223 -0.201 0.000 2.851 400 L HA 0.180 4.520 4.340 0.000 0.000 0.237 400 L C 1.420 178.284 176.870 -0.010 0.000 1.257 400 L CA 0.019 54.725 54.840 -0.223 0.000 1.061 400 L CB -0.277 41.599 42.059 -0.306 0.000 1.372 400 L HN 0.497 nan 8.230 nan 0.000 0.493 401 S N -1.176 114.545 115.700 0.034 0.000 2.603 401 S HA -0.074 4.396 4.470 0.000 0.000 0.229 401 S C 1.678 176.289 174.600 0.020 0.000 0.972 401 S CA 0.494 58.720 58.200 0.042 0.000 0.935 401 S CB -0.324 62.923 63.200 0.078 0.000 0.769 401 S HN 0.400 nan 8.310 nan 0.000 0.536 402 V N -2.314 117.595 119.914 -0.008 0.000 3.041 402 V HA 0.277 4.397 4.120 0.000 0.000 0.260 402 V C 1.510 177.472 176.094 -0.219 0.000 1.105 402 V CA 0.791 63.026 62.300 -0.108 0.000 1.125 402 V CB -1.297 30.453 31.823 -0.122 0.000 0.730 402 V HN 0.489 nan 8.190 nan 0.000 0.479 403 F N 0.061 120.035 119.950 0.040 0.000 2.765 403 F HA 0.242 4.769 4.527 0.000 0.000 0.302 403 F C 2.282 178.041 175.800 -0.069 0.000 1.111 403 F CA 0.547 58.535 58.000 -0.020 0.000 1.359 403 F CB -0.199 38.734 39.000 -0.111 0.000 1.097 403 F HN 0.119 nan 8.300 nan 0.000 0.577 404 Q N 0.707 120.540 119.800 0.055 0.000 2.303 404 Q HA -0.374 3.966 4.340 0.000 0.000 0.221 404 Q C 0.980 176.969 176.000 -0.019 0.000 1.081 404 Q CA 2.368 58.169 55.803 -0.004 0.000 0.985 404 Q CB -0.268 28.475 28.738 0.008 0.000 1.093 404 Q HN 0.391 nan 8.270 nan 0.000 0.464 405 N N -0.732 117.985 118.700 0.028 0.000 2.184 405 N HA 0.085 4.825 4.740 0.000 0.000 0.206 405 N C -0.496 175.027 175.510 0.021 0.000 1.151 405 N CA -0.107 52.955 53.050 0.019 0.000 0.878 405 N CB 0.287 38.797 38.487 0.039 0.000 1.014 405 N HN 0.118 nan 8.380 nan 0.000 0.512 406 L N 2.182 123.427 121.223 0.037 0.000 2.615 406 L HA -0.034 4.306 4.340 0.000 0.000 0.271 406 L C 1.194 178.027 176.870 -0.062 0.000 1.183 406 L CA 0.804 55.647 54.840 0.005 0.000 0.933 406 L CB 0.432 42.484 42.059 -0.012 0.000 1.199 406 L HN 0.116 nan 8.230 nan 0.000 0.487 407 Q N 4.046 123.823 119.800 -0.039 0.000 2.394 407 Q HA 0.222 4.562 4.340 0.000 0.000 0.218 407 Q C -0.346 175.636 176.000 -0.029 0.000 0.907 407 Q CA 0.538 56.318 55.803 -0.039 0.000 0.919 407 Q CB 0.640 29.370 28.738 -0.013 0.000 1.051 407 Q HN 0.618 nan 8.270 nan 0.000 0.538 408 V N -1.518 118.380 119.914 -0.026 0.000 2.888 408 V HA 0.579 4.699 4.120 0.000 0.000 0.309 408 V C -0.942 175.135 176.094 -0.027 0.000 1.114 408 V CA -1.070 61.224 62.300 -0.010 0.000 0.940 408 V CB 2.076 33.899 31.823 0.001 0.000 1.021 408 V HN 0.043 nan 8.190 nan 0.000 0.426 409 I N 3.241 123.811 120.570 0.000 0.000 2.411 409 I HA 0.527 4.697 4.170 0.000 0.000 0.284 409 I C 1.213 177.346 176.117 0.027 0.000 1.012 409 I CA -0.417 60.881 61.300 -0.003 0.000 1.119 409 I CB 1.836 39.845 38.000 0.016 0.000 1.261 409 I HN 0.671 nan 8.210 nan 0.000 0.448 410 R N 3.676 124.168 120.500 -0.013 0.000 2.092 410 R HA 0.010 4.350 4.340 0.000 0.000 0.231 410 R C 1.538 177.843 176.300 0.007 0.000 1.119 410 R CA 1.160 57.246 56.100 -0.024 0.000 0.970 410 R CB -0.056 30.190 30.300 -0.091 0.000 0.864 410 R HN 1.001 nan 8.270 nan 0.000 0.440 411 G N 0.432 109.254 108.800 0.037 0.000 2.153 411 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 411 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 411 G C 0.668 175.585 174.900 0.028 0.000 0.994 411 G CA 0.553 45.698 45.100 0.075 0.000 0.698 411 G HN 0.307 nan 8.290 nan 0.000 0.521 412 R N -0.777 119.708 120.500 -0.026 0.000 2.152 412 R HA 0.074 4.414 4.340 0.000 0.000 0.232 412 R C 1.115 177.412 176.300 -0.005 0.000 1.117 412 R CA 1.048 57.102 56.100 -0.077 0.000 0.981 412 R CB 0.042 30.278 30.300 -0.106 0.000 0.870 412 R HN 0.549 nan 8.270 nan 0.000 0.451 413 I N 1.270 121.882 120.570 0.070 0.000 2.474 413 I HA 0.291 4.461 4.170 0.000 0.000 0.294 413 I C -0.497 175.794 176.117 0.289 0.000 1.005 413 I CA -0.676 60.720 61.300 0.160 0.000 1.113 413 I CB 1.946 40.047 38.000 0.169 0.000 1.289 413 I HN -0.162 nan 8.210 nan 0.000 0.436 414 L N 4.571 125.924 121.223 0.217 0.000 2.362 414 L HA 0.446 4.786 4.340 0.000 0.000 0.271 414 L C -0.033 176.798 176.870 -0.064 0.000 1.002 414 L CA -0.845 54.072 54.840 0.128 0.000 0.818 414 L CB 1.695 43.770 42.059 0.027 0.000 1.298 414 L HN 0.564 nan 8.230 nan 0.000 0.420 415 H N 4.592 123.337 119.070 -0.541 0.000 2.848 415 H HA 0.033 4.589 4.556 0.000 0.000 0.317 415 H C 0.208 175.442 175.328 -0.157 0.000 1.046 415 H CA 0.536 56.187 56.048 -0.663 0.000 1.470 415 H CB 0.730 29.949 29.762 -0.904 0.000 1.483 415 H HN 0.688 nan 8.280 nan 0.000 0.548 416 N N 3.410 121.719 118.700 -0.652 0.000 2.678 416 N HA -0.219 4.521 4.740 0.000 0.000 0.250 416 N C 1.038 176.475 175.510 -0.122 0.000 1.136 416 N CA 1.297 54.161 53.050 -0.309 0.000 0.757 416 N CB -1.218 37.159 38.487 -0.184 0.000 1.135 416 N HN 1.000 nan 8.380 nan 0.000 0.565 417 G N -1.941 106.790 108.800 -0.114 0.000 2.162 417 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 417 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 417 G C 0.758 175.584 174.900 -0.124 0.000 0.976 417 G CA 1.313 46.370 45.100 -0.072 0.000 0.655 417 G HN 1.009 nan 8.290 nan 0.000 0.533 418 A N -1.417 121.286 122.820 -0.195 0.000 1.917 418 A HA 0.680 5.000 4.320 0.000 0.000 0.200 418 A C 0.437 177.758 177.584 -0.439 0.000 1.671 418 A CA 0.624 52.402 52.037 -0.433 0.000 1.034 418 A CB 0.475 19.014 19.000 -0.768 0.000 1.057 418 A HN 0.632 nan 8.150 nan 0.000 0.507 419 Y N 0.999 121.296 120.300 -0.005 0.000 2.341 419 Y HA 0.413 4.963 4.550 0.000 0.000 0.337 419 Y C 1.476 177.398 175.900 0.037 0.000 1.014 419 Y CA -0.110 58.005 58.100 0.024 0.000 1.111 419 Y CB 1.733 40.238 38.460 0.074 0.000 1.194 419 Y HN 0.230 nan 8.280 nan 0.000 0.462 420 S N 1.777 117.602 115.700 0.208 0.000 2.470 420 S HA 0.163 4.633 4.470 0.000 0.000 0.222 420 S C -0.081 174.655 174.600 0.227 0.000 1.024 420 S CA 0.024 58.355 58.200 0.218 0.000 0.931 420 S CB 0.332 63.642 63.200 0.183 0.000 0.791 420 S HN 0.450 nan 8.310 nan 0.000 0.513 421 L N 2.172 123.516 121.223 0.200 0.000 2.406 421 L HA 0.655 4.995 4.340 0.000 0.000 0.272 421 L C -1.623 175.293 176.870 0.077 0.000 0.980 421 L CA 0.067 54.988 54.840 0.135 0.000 0.831 421 L CB 1.941 44.088 42.059 0.148 0.000 1.253 421 L HN 0.069 nan 8.230 nan 0.000 0.406 422 T N 6.339 120.890 114.554 -0.005 0.000 2.881 422 T HA 0.625 4.975 4.350 0.000 0.000 0.291 422 T C -0.626 173.909 174.700 -0.275 0.000 0.990 422 T CA -0.287 61.727 62.100 -0.142 0.000 0.976 422 T CB 1.069 69.831 68.868 -0.177 0.000 0.970 422 T HN 0.461 nan 8.240 nan 0.000 0.438 423 L N 4.420 125.501 121.223 -0.238 0.000 2.388 423 L HA 0.511 4.851 4.340 0.000 0.000 0.267 423 L C -0.308 176.376 176.870 -0.311 0.000 0.995 423 L CA -0.812 53.871 54.840 -0.262 0.000 0.864 423 L CB 1.335 43.294 42.059 -0.167 0.000 1.216 423 L HN 0.684 nan 8.230 nan 0.000 0.430 424 Q N 1.308 120.875 119.800 -0.388 0.000 2.347 424 Q HA 0.698 5.038 4.340 0.000 0.000 0.271 424 Q C 0.360 176.191 176.000 -0.281 0.000 1.064 424 Q CA -0.609 54.901 55.803 -0.487 0.000 0.800 424 Q CB 2.358 30.605 28.738 -0.818 0.000 1.304 424 Q HN 0.623 nan 8.270 nan 0.000 0.438 425 G N 1.732 110.410 108.800 -0.204 0.000 2.246 425 G HA2 -0.237 3.723 3.960 0.000 0.000 0.273 425 G HA3 -0.237 3.723 3.960 0.000 0.000 0.273 425 G C 0.023 174.898 174.900 -0.042 0.000 1.055 425 G CA 0.681 45.729 45.100 -0.086 0.000 0.851 425 G HN 0.591 nan 8.290 nan 0.000 0.500 426 L N -0.927 120.268 121.223 -0.047 0.000 2.347 426 L HA 0.421 4.761 4.340 0.000 0.000 0.196 426 L C 2.475 179.364 176.870 0.031 0.000 1.072 426 L CA 0.729 55.560 54.840 -0.014 0.000 0.817 426 L CB -0.404 41.614 42.059 -0.069 0.000 1.029 426 L HN 1.077 nan 8.230 nan 0.000 0.478 427 G N 1.819 110.650 108.800 0.052 0.000 2.153 427 G HA2 -0.283 3.677 3.960 0.000 0.000 0.252 427 G HA3 -0.283 3.677 3.960 0.000 0.000 0.252 427 G C 0.433 175.388 174.900 0.090 0.000 0.994 427 G CA 0.466 45.683 45.100 0.196 0.000 0.698 427 G HN 0.440 nan 8.290 nan 0.000 0.521 428 I N -1.639 118.920 120.570 -0.018 0.000 3.045 428 I HA 0.469 4.639 4.170 0.000 0.000 0.288 428 I C 1.291 177.345 176.117 -0.106 0.000 1.238 428 I CA 0.446 61.663 61.300 -0.138 0.000 1.396 428 I CB 0.514 38.383 38.000 -0.219 0.000 1.355 428 I HN -0.045 nan 8.210 nan 0.000 0.601 429 S N 1.465 116.993 115.700 -0.287 0.000 2.505 429 S HA 0.229 4.699 4.470 0.000 0.000 0.216 429 S C -0.417 174.326 174.600 0.238 0.000 1.018 429 S CA -0.244 57.920 58.200 -0.061 0.000 0.911 429 S CB -0.166 62.957 63.200 -0.128 0.000 0.818 429 S HN 0.846 nan 8.310 nan 0.000 0.497 430 W N -1.245 120.120 121.300 0.108 0.000 2.959 430 W HA 0.626 5.286 4.660 -0.000 0.000 0.358 430 W C -0.267 176.296 176.519 0.073 0.000 1.228 430 W CA -0.938 56.482 57.345 0.124 0.000 1.183 430 W CB 0.098 29.535 29.460 -0.039 0.000 1.467 430 W HN -0.270 nan 8.180 nan 0.000 0.578 431 L N 1.451 122.917 121.223 0.404 0.000 2.102 431 L HA 0.181 4.521 4.340 0.000 0.000 0.202 431 L C 2.059 179.062 176.870 0.222 0.000 1.076 431 L CA 1.538 56.546 54.840 0.279 0.000 0.761 431 L CB -0.958 41.389 42.059 0.480 0.000 0.921 431 L HN 1.200 nan 8.230 nan 0.000 0.444 432 G N 0.514 109.539 108.800 0.376 0.000 2.189 432 G HA2 -0.310 3.650 3.960 0.000 0.000 0.267 432 G HA3 -0.310 3.650 3.960 0.000 0.000 0.267 432 G C 0.468 175.330 174.900 -0.063 0.000 0.975 432 G CA 0.235 45.466 45.100 0.219 0.000 0.644 432 G HN 0.299 nan 8.290 nan 0.000 0.537 433 L N 1.152 122.207 121.223 -0.280 0.000 2.436 433 L HA 0.247 4.587 4.340 0.000 0.000 0.244 433 L C 2.028 178.164 176.870 -1.222 0.000 1.396 433 L CA 0.370 54.809 54.840 -0.668 0.000 1.217 433 L CB -0.186 41.411 42.059 -0.770 0.000 1.420 433 L HN 0.455 nan 8.230 nan 0.000 0.434 434 R N -2.049 118.058 120.500 -0.655 0.000 2.323 434 R HA 0.038 4.378 4.340 0.000 0.000 0.198 434 R C 1.076 177.164 176.300 -0.354 0.000 0.988 434 R CA 0.551 56.342 56.100 -0.515 0.000 1.041 434 R CB -0.094 30.114 30.300 -0.153 0.000 0.926 434 R HN 0.263 nan 8.270 nan 0.000 0.476 435 S N 0.022 115.499 115.700 -0.373 0.000 2.578 435 S HA 0.171 4.641 4.470 0.000 0.000 0.228 435 S C -0.111 174.374 174.600 -0.191 0.000 1.022 435 S CA -0.620 57.465 58.200 -0.190 0.000 0.967 435 S CB 0.329 63.464 63.200 -0.109 0.000 0.914 435 S HN 0.222 nan 8.310 nan 0.000 0.515 436 L N 5.049 126.057 121.223 -0.360 0.000 2.565 436 L HA 0.187 4.527 4.340 0.000 0.000 0.275 436 L C 1.324 178.162 176.870 -0.054 0.000 1.137 436 L CA 0.367 55.061 54.840 -0.244 0.000 0.915 436 L CB 0.154 41.967 42.059 -0.411 0.000 1.232 436 L HN 0.170 nan 8.230 nan 0.000 0.473 437 R N 3.200 123.695 120.500 -0.009 0.000 2.279 437 R HA 0.230 4.570 4.340 0.000 0.000 0.195 437 R C -0.046 176.277 176.300 0.038 0.000 0.905 437 R CA 0.015 56.133 56.100 0.029 0.000 1.044 437 R CB 0.386 30.699 30.300 0.022 0.000 1.056 437 R HN 0.636 nan 8.270 nan 0.000 0.535 438 E N 1.330 121.562 120.200 0.052 0.000 2.274 438 E HA 0.259 4.609 4.350 0.000 0.000 0.269 438 E C -1.528 175.146 176.600 0.124 0.000 0.891 438 E CA -0.583 55.871 56.400 0.091 0.000 0.784 438 E CB 1.883 31.649 29.700 0.109 0.000 1.225 438 E HN 0.161 nan 8.360 nan 0.000 0.412 439 L N 4.888 126.224 121.223 0.189 0.000 2.270 439 L HA 0.352 4.692 4.340 0.000 0.000 0.286 439 L C 1.466 178.502 176.870 0.277 0.000 1.059 439 L CA -0.326 54.665 54.840 0.252 0.000 0.839 439 L CB 1.140 43.432 42.059 0.388 0.000 1.221 439 L HN 0.913 nan 8.230 nan 0.000 0.431 440 G N 2.380 111.301 108.800 0.202 0.000 2.442 440 G HA2 -0.140 3.820 3.960 0.000 0.000 0.219 440 G HA3 -0.140 3.820 3.960 0.000 0.000 0.219 440 G C 0.541 175.577 174.900 0.227 0.000 1.141 440 G CA 0.981 46.209 45.100 0.214 0.000 0.763 440 G HN 0.620 nan 8.290 nan 0.000 0.554 441 S N -3.103 112.696 115.700 0.166 0.000 2.611 441 S HA 0.636 5.106 4.470 0.000 0.000 0.268 441 S C -0.177 174.472 174.600 0.082 0.000 1.156 441 S CA 0.145 58.420 58.200 0.125 0.000 0.817 441 S CB 1.441 64.698 63.200 0.095 0.000 1.122 441 S HN 1.932 nan 8.310 nan 0.000 0.466 442 G N -0.113 108.691 108.800 0.007 0.000 2.814 442 G HA2 -0.016 3.944 3.960 0.000 0.000 0.677 442 G HA3 -0.016 3.944 3.960 0.000 0.000 0.677 442 G C -0.895 173.962 174.900 -0.073 0.000 1.429 442 G CA -0.482 44.587 45.100 -0.050 0.000 0.868 442 G HN 1.031 nan 8.290 nan 0.000 0.553 443 L N 0.327 121.480 121.223 -0.116 0.000 2.421 443 L HA 0.672 5.012 4.340 0.000 0.000 0.263 443 L C 1.119 178.070 176.870 0.135 0.000 1.122 443 L CA -0.420 54.367 54.840 -0.089 0.000 0.804 443 L CB 1.408 43.381 42.059 -0.144 0.000 1.150 443 L HN 1.139 nan 8.230 nan 0.000 0.457 444 A N 2.530 125.425 122.820 0.126 0.000 2.276 444 A HA 0.603 4.923 4.320 0.000 0.000 0.316 444 A C -0.878 176.727 177.584 0.036 0.000 1.229 444 A CA -0.373 51.722 52.037 0.097 0.000 0.851 444 A CB 0.967 19.956 19.000 -0.017 0.000 1.165 444 A HN 0.487 nan 8.150 nan 0.000 0.513 445 L N 3.936 125.177 121.223 0.030 0.000 2.316 445 L HA 0.680 5.020 4.340 0.000 0.000 0.280 445 L C -1.183 175.664 176.870 -0.038 0.000 1.006 445 L CA -0.157 54.657 54.840 -0.044 0.000 0.836 445 L CB 0.714 42.604 42.059 -0.282 0.000 1.221 445 L HN 0.555 nan 8.230 nan 0.000 0.418 446 I N 6.847 127.409 120.570 -0.012 0.000 2.464 446 I HA 0.367 4.537 4.170 0.000 0.000 0.277 446 I C -0.740 175.420 176.117 0.072 0.000 1.040 446 I CA -0.416 60.875 61.300 -0.016 0.000 1.153 446 I CB 0.332 38.303 38.000 -0.049 0.000 1.274 446 I HN 0.666 nan 8.210 nan 0.000 0.469 447 H N 4.613 123.665 119.070 -0.031 0.000 2.821 447 H HA 0.433 4.989 4.556 0.000 0.000 0.373 447 H C -0.061 175.309 175.328 0.071 0.000 1.165 447 H CA -0.718 55.331 56.048 0.001 0.000 1.154 447 H CB 1.358 31.146 29.762 0.044 0.000 1.765 447 H HN 0.539 nan 8.280 nan 0.000 0.549 448 H N 0.552 119.618 119.070 -0.006 0.000 2.862 448 H HA -0.145 4.411 4.556 0.000 0.000 0.290 448 H C -0.718 174.542 175.328 -0.113 0.000 1.211 448 H CA 0.803 56.819 56.048 -0.054 0.000 1.140 448 H CB -1.262 28.485 29.762 -0.024 0.000 1.341 448 H HN 0.651 nan 8.280 nan 0.000 0.392 449 N N 0.969 119.646 118.700 -0.038 0.000 2.500 449 N HA 0.060 4.800 4.740 0.000 0.000 0.236 449 N C 0.984 176.458 175.510 -0.060 0.000 1.022 449 N CA -0.087 52.936 53.050 -0.044 0.000 0.935 449 N CB 1.491 39.952 38.487 -0.045 0.000 1.147 449 N HN 0.117 nan 8.380 nan 0.000 0.512 450 T N 0.741 115.218 114.554 -0.129 0.000 2.867 450 T HA -0.090 4.260 4.350 0.000 0.000 0.268 450 T C 0.854 175.357 174.700 -0.328 0.000 1.057 450 T CA 1.400 63.336 62.100 -0.273 0.000 1.136 450 T CB -0.057 68.563 68.868 -0.414 0.000 0.874 450 T HN 0.581 nan 8.240 nan 0.000 0.466 451 H N -0.844 118.238 119.070 0.020 0.000 2.586 451 H HA 0.359 4.915 4.556 0.000 0.000 0.273 451 H C 0.057 175.424 175.328 0.066 0.000 0.997 451 H CA -0.592 55.478 56.048 0.036 0.000 1.177 451 H CB 0.204 29.978 29.762 0.020 0.000 1.471 451 H HN 0.114 nan 8.280 nan 0.000 0.538 452 L N 1.725 123.023 121.223 0.125 0.000 2.562 452 L HA 0.028 4.368 4.340 0.000 0.000 0.271 452 L C -0.229 176.749 176.870 0.179 0.000 1.167 452 L CA 0.230 55.156 54.840 0.143 0.000 0.917 452 L CB -0.601 41.511 42.059 0.087 0.000 1.187 452 L HN 0.310 nan 8.230 nan 0.000 0.482 453 c N 3.398 122.175 118.600 0.294 0.000 2.924 453 c HA 0.500 5.070 4.570 0.000 0.000 0.399 453 c C 0.264 174.609 174.090 0.424 0.000 1.795 453 c CA -0.772 55.719 56.329 0.270 0.000 1.685 453 c CB 0.787 43.439 42.510 0.237 0.000 2.218 453 c HN 0.815 nan 8.230 nan 0.000 0.474 454 F N -0.225 119.805 119.950 0.133 0.000 3.067 454 F HA -0.182 4.345 4.527 0.000 0.000 0.279 454 F C 0.891 176.726 175.800 0.059 0.000 0.945 454 F CA 0.498 58.547 58.000 0.082 0.000 0.948 454 F CB -1.649 37.422 39.000 0.118 0.000 0.898 454 F HN 0.326 nan 8.300 nan 0.000 0.746 455 V N -1.382 118.642 119.914 0.184 0.000 2.690 455 V HA -0.122 3.998 4.120 0.000 0.000 0.240 455 V C 2.190 178.395 176.094 0.186 0.000 1.078 455 V CA 1.646 64.078 62.300 0.220 0.000 1.102 455 V CB -0.341 31.586 31.823 0.174 0.000 0.800 455 V HN 0.633 nan 8.190 nan 0.000 0.479 456 H N 1.143 120.214 119.070 0.003 0.000 2.545 456 H HA -0.096 4.460 4.556 0.000 0.000 0.282 456 H C 2.044 177.335 175.328 -0.062 0.000 1.020 456 H CA 1.701 57.737 56.048 -0.021 0.000 1.243 456 H CB 0.331 30.065 29.762 -0.047 0.000 1.377 456 H HN 0.608 nan 8.280 nan 0.000 0.581 457 T N -1.705 112.771 114.554 -0.132 0.000 3.067 457 T HA 0.088 4.438 4.350 0.000 0.000 0.257 457 T C 0.949 175.436 174.700 -0.355 0.000 1.105 457 T CA -0.069 61.918 62.100 -0.189 0.000 1.104 457 T CB -0.232 68.594 68.868 -0.070 0.000 0.925 457 T HN -0.067 nan 8.240 nan 0.000 0.498 458 V N 4.694 124.235 119.914 -0.622 0.000 2.555 458 V HA 0.261 4.381 4.120 0.000 0.000 0.286 458 V C -1.938 173.540 176.094 -1.026 0.000 1.044 458 V CA -1.698 59.869 62.300 -1.223 0.000 1.026 458 V CB 0.866 31.437 31.823 -2.087 0.000 0.981 458 V HN 0.292 nan 8.190 nan 0.000 0.480 459 P HA 0.136 nan 4.420 nan 0.000 0.219 459 P C 0.411 177.362 177.300 -0.583 0.000 1.832 459 P CA -0.338 62.322 63.100 -0.733 0.000 1.014 459 P CB -0.120 30.976 31.700 -1.006 0.000 1.939 460 W N 1.166 122.220 121.300 -0.411 0.000 2.308 460 W HA -0.239 4.421 4.660 0.000 0.000 0.301 460 W C 2.163 178.279 176.519 -0.672 0.000 1.220 460 W CA 1.549 58.571 57.345 -0.538 0.000 1.240 460 W CB -1.153 28.088 29.460 -0.365 0.000 1.142 460 W HN 0.269 nan 8.180 nan 0.000 0.521 461 D N 0.603 120.952 120.400 -0.085 0.000 2.263 461 D HA -0.299 4.341 4.640 0.000 0.000 0.193 461 D C 1.562 177.810 176.300 -0.086 0.000 1.013 461 D CA 2.217 56.212 54.000 -0.008 0.000 0.892 461 D CB -0.294 40.500 40.800 -0.010 0.000 0.909 461 D HN 0.397 nan 8.370 nan 0.000 0.449 462 Q N -1.102 118.577 119.800 -0.202 0.000 2.402 462 Q HA 0.039 4.379 4.340 0.000 0.000 0.206 462 Q C 1.981 177.898 176.000 -0.140 0.000 0.919 462 Q CA -0.065 55.644 55.803 -0.156 0.000 0.923 462 Q CB 0.405 29.023 28.738 -0.200 0.000 1.048 462 Q HN 0.237 nan 8.270 nan 0.000 0.515 463 L N -0.624 120.446 121.223 -0.255 0.000 2.270 463 L HA 0.069 4.409 4.340 0.000 0.000 0.210 463 L C 0.653 177.514 176.870 -0.015 0.000 1.104 463 L CA 1.085 55.824 54.840 -0.168 0.000 0.804 463 L CB -0.145 41.782 42.059 -0.219 0.000 0.937 463 L HN 0.054 nan 8.230 nan 0.000 0.450 464 F N -0.759 119.256 119.950 0.107 0.000 2.426 464 F HA 0.179 4.706 4.527 0.000 0.000 0.309 464 F C 1.466 177.301 175.800 0.059 0.000 1.246 464 F CA -0.545 57.513 58.000 0.097 0.000 1.229 464 F CB 0.434 39.486 39.000 0.087 0.000 1.255 464 F HN -0.199 nan 8.300 nan 0.000 0.558 465 R N 0.360 121.030 120.500 0.283 0.000 2.526 465 R HA 0.151 4.491 4.340 0.000 0.000 0.346 465 R C -1.422 174.913 176.300 0.059 0.000 0.926 465 R CA -0.236 55.923 56.100 0.099 0.000 1.147 465 R CB -0.200 30.167 30.300 0.112 0.000 1.629 465 R HN 0.832 nan 8.270 nan 0.000 0.516 466 N N -1.501 117.255 118.700 0.095 0.000 2.598 466 N HA 0.272 5.012 4.740 0.000 0.000 0.263 466 N C -2.463 173.045 175.510 -0.003 0.000 1.254 466 N CA -1.113 51.968 53.050 0.051 0.000 0.863 466 N CB 2.043 40.594 38.487 0.106 0.000 1.586 466 N HN -0.360 nan 8.380 nan 0.000 0.491 467 P HA -0.139 nan 4.420 nan 0.000 0.225 467 P C 0.079 177.252 177.300 -0.213 0.000 1.148 467 P CA 1.230 64.240 63.100 -0.151 0.000 0.779 467 P CB -0.008 31.551 31.700 -0.235 0.000 0.780 468 H N -0.845 118.189 119.070 -0.059 0.000 2.539 468 H HA 0.204 4.760 4.556 0.000 0.000 0.267 468 H C 0.884 176.099 175.328 -0.189 0.000 0.982 468 H CA 0.314 56.305 56.048 -0.095 0.000 1.146 468 H CB 0.191 29.891 29.762 -0.102 0.000 1.382 468 H HN 0.377 nan 8.280 nan 0.000 0.577 469 Q N 0.120 119.786 119.800 -0.222 0.000 2.260 469 Q HA 0.619 4.959 4.340 0.000 0.000 0.238 469 Q C -0.534 174.961 176.000 -0.841 0.000 0.948 469 Q CA -0.511 54.905 55.803 -0.645 0.000 0.895 469 Q CB 2.061 30.214 28.738 -0.974 0.000 1.218 469 Q HN 0.287 nan 8.270 nan 0.000 0.470 470 A N 1.412 123.622 122.820 -1.016 0.000 2.597 470 A HA 0.390 4.710 4.320 0.000 0.000 0.292 470 A C -1.986 175.462 177.584 -0.226 0.000 1.057 470 A CA -0.719 50.978 52.037 -0.566 0.000 0.674 470 A CB 1.129 19.622 19.000 -0.843 0.000 1.278 470 A HN 0.606 nan 8.150 nan 0.000 0.416 471 L N 2.312 123.540 121.223 0.008 0.000 2.255 471 L HA 0.584 4.924 4.340 0.000 0.000 0.289 471 L C -1.404 175.410 176.870 -0.093 0.000 1.046 471 L CA -0.455 54.287 54.840 -0.164 0.000 0.816 471 L CB 0.172 41.862 42.059 -0.615 0.000 1.197 471 L HN 0.686 nan 8.230 nan 0.000 0.427 472 L N 5.738 126.908 121.223 -0.088 0.000 2.307 472 L HA 0.472 4.812 4.340 0.000 0.000 0.282 472 L C -0.764 176.109 176.870 0.005 0.000 1.051 472 L CA -0.571 54.230 54.840 -0.065 0.000 0.804 472 L CB 1.335 43.371 42.059 -0.039 0.000 1.197 472 L HN 0.687 nan 8.230 nan 0.000 0.431 473 H N -0.363 118.661 119.070 -0.077 0.000 3.087 473 H HA 0.714 5.270 4.556 0.000 0.000 0.348 473 H C -1.140 174.165 175.328 -0.038 0.000 1.092 473 H CA -0.742 55.272 56.048 -0.057 0.000 1.285 473 H CB 1.833 31.542 29.762 -0.087 0.000 1.875 473 H HN 0.437 nan 8.280 nan 0.000 0.512 474 T N 1.515 116.076 114.554 0.011 0.000 2.792 474 T HA 0.534 4.884 4.350 0.000 0.000 0.303 474 T C -0.224 174.412 174.700 -0.108 0.000 1.310 474 T CA 0.274 62.335 62.100 -0.065 0.000 1.007 474 T CB 0.805 69.604 68.868 -0.115 0.000 1.335 474 T HN 1.868 nan 8.240 nan 0.000 0.504 475 A N 1.913 124.624 122.820 -0.183 0.000 2.826 475 A HA -0.149 4.171 4.320 0.000 0.000 0.274 475 A C 0.356 177.824 177.584 -0.193 0.000 1.443 475 A CA 1.250 53.100 52.037 -0.312 0.000 0.833 475 A CB -2.486 15.970 19.000 -0.907 0.000 1.023 475 A HN 0.730 nan 8.150 nan 0.000 0.600 476 N N -0.885 117.772 118.700 -0.073 0.000 2.566 476 N HA 0.465 5.205 4.740 0.000 0.000 0.299 476 N C 0.382 175.875 175.510 -0.028 0.000 1.277 476 N CA -0.657 52.373 53.050 -0.033 0.000 0.965 476 N CB 0.246 38.745 38.487 0.020 0.000 1.142 476 N HN 0.534 nan 8.380 nan 0.000 0.596 477 R N 0.980 121.477 120.500 -0.005 0.000 2.370 477 R HA 0.222 4.562 4.340 0.000 0.000 0.309 477 R C -2.232 174.071 176.300 0.005 0.000 1.059 477 R CA -0.918 55.183 56.100 0.001 0.000 0.981 477 R CB -0.032 30.291 30.300 0.037 0.000 0.972 477 R HN 0.319 nan 8.270 nan 0.000 0.437 478 P HA -0.072 nan 4.420 nan 0.000 0.264 478 P C 0.010 177.293 177.300 -0.027 0.000 1.193 478 P CA 0.022 63.112 63.100 -0.016 0.000 0.763 478 P CB 0.791 32.480 31.700 -0.020 0.000 0.810 479 E N 2.767 122.936 120.200 -0.051 0.000 2.085 479 E HA -0.233 4.117 4.350 0.000 0.000 0.194 479 E C 1.367 177.923 176.600 -0.073 0.000 0.994 479 E CA 1.616 57.970 56.400 -0.077 0.000 0.801 479 E CB -0.298 29.318 29.700 -0.140 0.000 0.743 479 E HN 0.621 nan 8.360 nan 0.000 0.453 480 D N -0.023 120.337 120.400 -0.067 0.000 2.182 480 D HA -0.221 4.419 4.640 0.000 0.000 0.201 480 D C 1.735 178.014 176.300 -0.036 0.000 0.986 480 D CA 1.054 55.022 54.000 -0.052 0.000 0.847 480 D CB -0.433 40.340 40.800 -0.046 0.000 0.942 480 D HN 0.263 nan 8.370 nan 0.000 0.467 481 E N -0.196 119.989 120.200 -0.025 0.000 2.110 481 E HA -0.122 4.228 4.350 0.000 0.000 0.193 481 E C 2.138 178.735 176.600 -0.005 0.000 0.988 481 E CA 1.106 57.501 56.400 -0.008 0.000 0.804 481 E CB 0.063 29.764 29.700 0.002 0.000 0.745 481 E HN 0.348 nan 8.360 nan 0.000 0.458 482 c N -0.374 118.214 118.600 -0.020 0.000 2.462 482 c HA -0.109 4.461 4.570 0.000 0.000 0.278 482 c C 2.784 176.841 174.090 -0.056 0.000 1.253 482 c CA 0.799 57.109 56.329 -0.031 0.000 1.713 482 c CB -1.070 41.396 42.510 -0.074 0.000 2.049 482 c HN 0.518 nan 8.230 nan 0.000 0.477 483 V N 2.118 121.985 119.914 -0.078 0.000 2.332 483 V HA -0.042 4.078 4.120 0.000 0.000 0.248 483 V C 2.210 178.279 176.094 -0.041 0.000 1.055 483 V CA 2.709 64.964 62.300 -0.074 0.000 1.038 483 V CB -1.474 30.304 31.823 -0.075 0.000 0.651 483 V HN 0.474 nan 8.190 nan 0.000 0.450 484 G N -0.916 107.866 108.800 -0.029 0.000 2.470 484 G HA2 -0.234 3.726 3.960 0.000 0.000 0.220 484 G HA3 -0.234 3.726 3.960 0.000 0.000 0.220 484 G C 1.458 176.356 174.900 -0.003 0.000 1.121 484 G CA 0.752 45.843 45.100 -0.016 0.000 0.766 484 G HN 0.656 nan 8.290 nan 0.000 0.553 485 E N 0.078 120.280 120.200 0.003 0.000 2.465 485 E HA 0.278 4.628 4.350 0.000 0.000 0.191 485 E C 1.213 177.825 176.600 0.019 0.000 1.053 485 E CA 0.118 56.530 56.400 0.021 0.000 0.869 485 E CB -0.265 29.462 29.700 0.043 0.000 0.977 485 E HN 0.307 nan 8.360 nan 0.000 0.483 486 G N 1.710 110.510 108.800 0.000 0.000 2.353 486 G HA2 -0.253 3.707 3.960 0.000 0.000 0.294 486 G HA3 -0.253 3.707 3.960 0.000 0.000 0.294 486 G C -0.368 174.534 174.900 0.003 0.000 1.077 486 G CA 0.152 45.250 45.100 -0.003 0.000 1.098 486 G HN 0.226 nan 8.290 nan 0.000 0.511 487 L N -0.071 121.138 121.223 -0.024 0.000 2.385 487 L HA 0.867 5.207 4.340 0.000 0.000 0.273 487 L C 0.277 177.074 176.870 -0.122 0.000 0.990 487 L CA -0.287 54.539 54.840 -0.023 0.000 0.821 487 L CB 2.052 44.094 42.059 -0.027 0.000 1.279 487 L HN 0.822 nan 8.230 nan 0.000 0.412 488 A N 2.035 124.839 122.820 -0.027 0.000 2.601 488 A HA 0.541 4.861 4.320 0.000 0.000 0.291 488 A C -1.154 176.515 177.584 0.140 0.000 1.075 488 A CA -0.521 51.487 52.037 -0.048 0.000 0.671 488 A CB 0.994 19.965 19.000 -0.049 0.000 1.277 488 A HN 0.624 nan 8.150 nan 0.000 0.417 489 c N 1.580 120.237 118.600 0.095 0.000 2.676 489 c HA 0.325 4.895 4.570 0.000 0.000 0.416 489 c C 0.948 175.082 174.090 0.073 0.000 1.299 489 c CA 0.012 56.418 56.329 0.128 0.000 2.048 489 c CB -0.705 41.831 42.510 0.043 0.000 2.713 489 c HN 0.802 nan 8.230 nan 0.000 0.624 490 H N 2.550 121.618 119.070 -0.004 0.000 2.764 490 H HA -0.000 4.556 4.556 0.000 0.000 0.341 490 H C 1.102 176.407 175.328 -0.038 0.000 1.072 490 H CA 0.442 56.474 56.048 -0.028 0.000 1.444 490 H CB 0.821 30.559 29.762 -0.041 0.000 1.458 490 H HN 0.706 nan 8.280 nan 0.000 0.572 491 Q N 3.547 123.108 119.800 -0.398 0.000 2.207 491 Q HA -0.208 4.132 4.340 0.000 0.000 0.215 491 Q C 1.903 177.885 176.000 -0.030 0.000 1.006 491 Q CA 1.345 57.020 55.803 -0.213 0.000 0.903 491 Q CB -0.060 28.513 28.738 -0.274 0.000 0.947 491 Q HN 0.561 nan 8.270 nan 0.000 0.414 492 L N -0.305 121.031 121.223 0.190 0.000 2.551 492 L HA -0.043 4.297 4.340 0.000 0.000 0.228 492 L C 0.525 177.432 176.870 0.061 0.000 1.153 492 L CA 0.344 55.276 54.840 0.154 0.000 0.851 492 L CB -0.425 41.768 42.059 0.223 0.000 0.959 492 L HN 0.128 nan 8.230 nan 0.000 0.451 493 c N 0.637 119.272 118.600 0.058 0.000 2.325 493 c HA 0.698 5.268 4.570 0.000 0.000 0.347 493 c C 1.150 175.218 174.090 -0.036 0.000 1.263 493 c CA -1.691 54.645 56.329 0.011 0.000 1.806 493 c CB -0.337 42.188 42.510 0.026 0.000 2.405 493 c HN 0.469 nan 8.230 nan 0.000 0.537 494 A N 3.690 126.486 122.820 -0.039 0.000 2.366 494 A HA 0.478 4.798 4.320 0.000 0.000 0.249 494 A C 1.144 178.655 177.584 -0.123 0.000 1.084 494 A CA -0.195 51.803 52.037 -0.065 0.000 0.794 494 A CB 0.108 19.084 19.000 -0.040 0.000 1.034 494 A HN 0.955 nan 8.150 nan 0.000 0.491 495 R N 0.014 120.414 120.500 -0.168 0.000 3.804 495 R HA -0.247 4.093 4.340 0.000 0.000 0.286 495 R C 0.995 176.909 176.300 -0.644 0.000 1.192 495 R CA 1.102 57.002 56.100 -0.334 0.000 0.801 495 R CB -2.429 27.731 30.300 -0.233 0.000 1.180 495 R HN 2.289 nan 8.270 nan 0.000 0.509 496 G N 1.210 109.787 108.800 -0.371 0.000 2.395 496 G HA2 -0.302 3.658 3.960 0.000 0.000 0.300 496 G HA3 -0.302 3.658 3.960 0.000 0.000 0.300 496 G C -0.228 174.461 174.900 -0.352 0.000 0.998 496 G CA 0.707 45.626 45.100 -0.302 0.000 1.046 496 G HN 0.567 nan 8.290 nan 0.000 0.513 497 H N -0.699 118.302 119.070 -0.115 0.000 2.511 497 H HA 0.636 5.192 4.556 0.000 0.000 0.328 497 H C 0.667 175.900 175.328 -0.158 0.000 1.044 497 H CA -0.032 55.905 56.048 -0.184 0.000 1.212 497 H CB 1.197 30.834 29.762 -0.210 0.000 1.428 497 H HN 0.814 nan 8.280 nan 0.000 0.483 498 c N 0.738 119.296 118.600 -0.070 0.000 3.318 498 c HA 0.433 5.003 4.570 0.000 0.000 0.322 498 c C -0.097 173.891 174.090 -0.169 0.000 1.398 498 c CA -0.998 55.306 56.329 -0.042 0.000 1.339 498 c CB 0.949 43.507 42.510 0.080 0.000 1.668 498 c HN 0.908 nan 8.230 nan 0.000 0.462 499 W N 1.064 122.334 121.300 -0.050 0.000 3.005 499 W HA 0.567 5.227 4.660 -0.000 0.000 0.374 499 W C 1.067 177.481 176.519 -0.175 0.000 1.076 499 W CA 0.776 58.088 57.345 -0.055 0.000 1.794 499 W CB 0.756 30.172 29.460 -0.074 0.000 1.113 499 W HN 1.398 nan 8.180 nan 0.000 0.584 500 G N -0.177 108.354 108.800 -0.448 0.000 2.324 500 G HA2 0.179 4.139 3.960 0.000 0.000 0.293 500 G HA3 0.179 4.139 3.960 0.000 0.000 0.293 500 G C -3.146 170.824 174.900 -1.549 0.000 1.297 500 G CA -1.203 42.971 45.100 -1.544 0.000 0.853 500 G HN -0.413 nan 8.290 nan 0.000 0.535 501 P HA 0.498 nan 4.420 nan 0.000 0.271 501 P C 0.593 177.628 177.300 -0.442 0.000 1.218 501 P CA 1.440 64.082 63.100 -0.763 0.000 0.780 501 P CB 1.234 32.456 31.700 -0.795 0.000 0.901 502 G N 3.422 112.112 108.800 -0.183 0.000 2.619 502 G HA2 -0.095 3.865 3.960 0.000 0.000 0.686 502 G HA3 -0.095 3.865 3.960 0.000 0.000 0.686 502 G C -2.306 172.481 174.900 -0.188 0.000 1.256 502 G CA -0.397 44.618 45.100 -0.143 0.000 0.826 502 G HN 0.352 nan 8.290 nan 0.000 0.619 503 P HA -0.016 nan 4.420 nan 0.000 0.233 503 P C 1.664 178.836 177.300 -0.215 0.000 1.167 503 P CA 1.901 64.716 63.100 -0.476 0.000 0.770 503 P CB -0.119 31.145 31.700 -0.727 0.000 0.837 504 T N -2.326 112.130 114.554 -0.164 0.000 2.951 504 T HA -0.046 4.304 4.350 0.000 0.000 0.268 504 T C 1.651 176.314 174.700 -0.061 0.000 1.073 504 T CA 0.850 62.892 62.100 -0.096 0.000 1.134 504 T CB -0.548 68.272 68.868 -0.080 0.000 0.884 504 T HN 0.119 nan 8.240 nan 0.000 0.479 505 Q N 0.379 120.138 119.800 -0.068 0.000 2.280 505 Q HA 0.213 4.553 4.340 0.000 0.000 0.202 505 Q C 0.196 176.250 176.000 0.091 0.000 0.903 505 Q CA -0.159 55.642 55.803 -0.004 0.000 0.948 505 Q CB -0.345 28.331 28.738 -0.103 0.000 1.058 505 Q HN 0.561 nan 8.270 nan 0.000 0.493 506 c N 0.390 119.021 118.600 0.051 0.000 2.662 506 c HA 0.075 4.645 4.570 0.000 0.000 0.420 506 c C 2.401 176.569 174.090 0.130 0.000 1.314 506 c CA -0.565 55.807 56.329 0.072 0.000 1.963 506 c CB 0.367 42.892 42.510 0.025 0.000 2.686 506 c HN 0.221 nan 8.230 nan 0.000 0.609 507 V N 2.103 122.091 119.914 0.123 0.000 2.379 507 V HA -0.036 4.084 4.120 0.000 0.000 0.245 507 V C 0.807 176.947 176.094 0.077 0.000 1.044 507 V CA 1.725 64.107 62.300 0.136 0.000 1.036 507 V CB -0.419 31.417 31.823 0.022 0.000 0.664 507 V HN 0.835 nan 8.190 nan 0.000 0.453 508 N N -0.695 118.035 118.700 0.049 0.000 2.533 508 N HA 0.227 4.967 4.740 0.000 0.000 0.289 508 N C -1.239 174.271 175.510 0.000 0.000 1.103 508 N CA -0.307 52.756 53.050 0.021 0.000 0.877 508 N CB 1.788 40.286 38.487 0.019 0.000 1.419 508 N HN 0.310 nan 8.380 nan 0.000 0.517 509 c N 3.023 121.611 118.600 -0.020 0.000 2.566 509 c HA 0.225 4.795 4.570 0.000 0.000 0.393 509 c C 2.151 176.200 174.090 -0.069 0.000 1.309 509 c CA -0.117 56.187 56.329 -0.041 0.000 1.801 509 c CB -0.866 41.611 42.510 -0.055 0.000 2.493 509 c HN 0.785 nan 8.230 nan 0.000 0.575 510 S N 3.984 119.641 115.700 -0.072 0.000 2.453 510 S HA -0.065 4.405 4.470 0.000 0.000 0.231 510 S C 1.203 175.695 174.600 -0.178 0.000 1.005 510 S CA 1.088 59.228 58.200 -0.101 0.000 0.949 510 S CB -0.122 63.029 63.200 -0.081 0.000 0.774 510 S HN 0.922 nan 8.310 nan 0.000 0.510 511 Q N -0.233 119.436 119.800 -0.217 0.000 2.965 511 Q HA 0.496 4.836 4.340 0.000 0.000 0.217 511 Q C -0.494 175.194 176.000 -0.520 0.000 1.113 511 Q CA 0.034 55.577 55.803 -0.434 0.000 0.373 511 Q CB -0.051 28.482 28.738 -0.343 0.000 5.238 511 Q HN 0.528 nan 8.270 nan 0.000 0.337 512 F N 0.418 120.325 119.950 -0.073 0.000 2.538 512 F HA 0.466 4.993 4.527 0.000 0.000 0.325 512 F C -0.012 175.706 175.800 -0.137 0.000 1.066 512 F CA -0.899 57.036 58.000 -0.107 0.000 0.946 512 F CB 1.697 40.650 39.000 -0.078 0.000 1.199 512 F HN 0.000 nan 8.300 nan 0.000 0.473 513 L N 2.608 123.831 121.223 -0.000 0.000 2.275 513 L HA 0.498 4.838 4.340 0.000 0.000 0.288 513 L C -0.406 176.456 176.870 -0.013 0.000 1.046 513 L CA -0.583 54.204 54.840 -0.088 0.000 0.805 513 L CB 1.711 43.581 42.059 -0.315 0.000 1.193 513 L HN 0.613 nan 8.230 nan 0.000 0.426 514 R N 2.711 123.211 120.500 0.001 0.000 2.337 514 R HA 0.534 4.874 4.340 0.000 0.000 0.319 514 R C 0.556 176.863 176.300 0.012 0.000 0.954 514 R CA 0.536 56.637 56.100 0.003 0.000 0.840 514 R CB 1.252 31.544 30.300 -0.012 0.000 1.164 514 R HN 0.827 nan 8.270 nan 0.000 0.472 515 G N 2.870 111.691 108.800 0.035 0.000 2.602 515 G HA2 -0.355 3.605 3.960 0.000 0.000 0.310 515 G HA3 -0.355 3.605 3.960 0.000 0.000 0.310 515 G C 0.205 175.135 174.900 0.050 0.000 1.183 515 G CA 0.483 45.604 45.100 0.035 0.000 0.979 515 G HN 0.586 nan 8.290 nan 0.000 0.545 516 Q N 1.039 120.850 119.800 0.019 0.000 2.139 516 Q HA 0.255 4.595 4.340 0.000 0.000 0.219 516 Q C 0.554 176.541 176.000 -0.021 0.000 0.805 516 Q CA 0.171 55.980 55.803 0.010 0.000 1.024 516 Q CB 1.384 30.126 28.738 0.007 0.000 1.163 516 Q HN 0.755 nan 8.270 nan 0.000 0.485 517 E N 0.887 121.069 120.200 -0.031 0.000 2.174 517 E HA 0.140 4.490 4.350 0.000 0.000 0.282 517 E C -0.917 175.643 176.600 -0.066 0.000 0.992 517 E CA -0.317 56.045 56.400 -0.064 0.000 0.803 517 E CB 1.238 30.899 29.700 -0.064 0.000 1.090 517 E HN 0.072 nan 8.360 nan 0.000 0.396 518 c N 6.576 125.119 118.600 -0.096 0.000 2.619 518 c HA 0.229 4.799 4.570 0.000 0.000 0.389 518 c C 0.235 174.282 174.090 -0.072 0.000 1.314 518 c CA -0.559 55.720 56.329 -0.083 0.000 1.678 518 c CB -1.787 40.668 42.510 -0.092 0.000 2.398 518 c HN 0.461 nan 8.230 nan 0.000 0.582 519 V N 4.115 124.021 119.914 -0.014 0.000 2.713 519 V HA 0.516 4.636 4.120 0.000 0.000 0.307 519 V C 0.787 176.912 176.094 0.051 0.000 1.052 519 V CA -0.428 61.883 62.300 0.019 0.000 0.967 519 V CB 1.632 33.478 31.823 0.038 0.000 1.019 519 V HN 0.821 nan 8.190 nan 0.000 0.459 520 E N 1.760 121.993 120.200 0.054 0.000 2.046 520 E HA -0.010 4.340 4.350 0.000 0.000 0.190 520 E C 0.655 177.328 176.600 0.121 0.000 0.982 520 E CA 1.440 57.867 56.400 0.047 0.000 0.800 520 E CB 0.249 29.973 29.700 0.040 0.000 0.756 520 E HN 0.866 nan 8.360 nan 0.000 0.449 521 E N -0.598 119.698 120.200 0.160 0.000 2.292 521 E HA 0.290 4.640 4.350 0.000 0.000 0.272 521 E C -1.136 175.546 176.600 0.135 0.000 0.881 521 E CA -0.891 55.641 56.400 0.220 0.000 0.754 521 E CB 1.733 31.504 29.700 0.117 0.000 1.201 521 E HN 0.172 nan 8.360 nan 0.000 0.425 522 c N 1.065 119.692 118.600 0.046 0.000 2.640 522 c HA 0.230 4.800 4.570 0.000 0.000 0.330 522 c C 1.269 175.316 174.090 -0.072 0.000 1.416 522 c CA -0.176 56.090 56.329 -0.106 0.000 2.396 522 c CB -0.162 42.145 42.510 -0.337 0.000 2.330 522 c HN 0.689 nan 8.230 nan 0.000 0.704 523 R N 0.565 121.015 120.500 -0.083 0.000 3.782 523 R HA 0.184 4.524 4.340 0.000 0.000 0.291 523 R C 0.807 177.071 176.300 -0.061 0.000 1.539 523 R CA -0.159 55.907 56.100 -0.055 0.000 1.345 523 R CB 0.005 30.278 30.300 -0.045 0.000 1.408 523 R HN 0.586 nan 8.270 nan 0.000 0.654 524 V N 0.003 119.874 119.914 -0.072 0.000 2.323 524 V HA -0.196 3.924 4.120 0.000 0.000 0.244 524 V C 1.611 177.673 176.094 -0.054 0.000 1.041 524 V CA 1.612 63.869 62.300 -0.071 0.000 1.025 524 V CB -0.068 31.705 31.823 -0.084 0.000 0.656 524 V HN 0.412 nan 8.190 nan 0.000 0.451 525 L N -0.812 120.387 121.223 -0.040 0.000 2.609 525 L HA 0.251 4.591 4.340 0.000 0.000 0.230 525 L C 0.739 177.594 176.870 -0.025 0.000 1.064 525 L CA 0.343 55.164 54.840 -0.032 0.000 0.873 525 L CB 0.187 42.232 42.059 -0.024 0.000 1.139 525 L HN 0.463 nan 8.230 nan 0.000 0.490 526 Q N -0.068 119.720 119.800 -0.021 0.000 2.350 526 Q HA 0.693 5.033 4.340 0.000 0.000 0.255 526 Q C -0.654 175.337 176.000 -0.015 0.000 0.951 526 Q CA -0.653 55.140 55.803 -0.016 0.000 0.751 526 Q CB 1.892 30.624 28.738 -0.010 0.000 1.296 526 Q HN -0.007 nan 8.270 nan 0.000 0.453 527 G N 1.417 110.206 108.800 -0.018 0.000 2.429 527 G HA2 0.286 4.246 3.960 0.000 0.000 0.300 527 G HA3 0.286 4.246 3.960 0.000 0.000 0.300 527 G C -0.268 174.622 174.900 -0.017 0.000 1.598 527 G CA -0.921 44.169 45.100 -0.017 0.000 0.863 527 G HN 0.436 nan 8.290 nan 0.000 0.614 528 L N 0.497 121.711 121.223 -0.014 0.000 1.943 528 L HA 0.122 4.462 4.340 0.000 0.000 0.215 528 L C -0.911 175.951 176.870 -0.013 0.000 1.074 528 L CA 1.445 56.278 54.840 -0.013 0.000 0.759 528 L CB -1.239 40.814 42.059 -0.010 0.000 0.888 528 L HN 0.440 nan 8.230 nan 0.000 0.433 529 P HA 0.216 nan 4.420 nan 0.000 0.291 529 P C -0.867 176.425 177.300 -0.014 0.000 1.378 529 P CA -0.337 62.756 63.100 -0.011 0.000 0.853 529 P CB 0.690 32.383 31.700 -0.011 0.000 1.002 530 R N 2.535 123.028 120.500 -0.012 0.000 2.643 530 R HA 0.261 4.601 4.340 0.000 0.000 0.270 530 R C 0.342 176.639 176.300 -0.005 0.000 1.061 530 R CA 0.134 56.224 56.100 -0.017 0.000 1.107 530 R CB 0.890 31.178 30.300 -0.021 0.000 0.999 530 R HN 0.528 nan 8.270 nan 0.000 0.460 531 E N 0.802 120.988 120.200 -0.024 0.000 2.359 531 E HA 0.303 4.653 4.350 0.000 0.000 0.266 531 E C -1.076 175.526 176.600 0.002 0.000 0.920 531 E CA -0.818 55.561 56.400 -0.035 0.000 0.788 531 E CB 1.862 31.494 29.700 -0.114 0.000 1.279 531 E HN 0.498 nan 8.360 nan 0.000 0.438 532 Y N -1.930 118.331 120.300 -0.066 0.000 2.654 532 Y HA 0.772 5.322 4.550 -0.000 0.000 0.327 532 Y C -0.858 174.989 175.900 -0.090 0.000 1.122 532 Y CA -1.098 56.957 58.100 -0.075 0.000 1.227 532 Y CB 0.686 39.126 38.460 -0.034 0.000 1.370 532 Y HN 0.147 nan 8.280 nan 0.000 0.528 533 V N 2.357 122.299 119.914 0.047 0.000 2.531 533 V HA 0.374 4.494 4.120 0.000 0.000 0.301 533 V C -1.057 175.114 176.094 0.128 0.000 1.034 533 V CA -0.891 61.350 62.300 -0.099 0.000 0.865 533 V CB 1.398 33.081 31.823 -0.233 0.000 0.995 533 V HN 0.875 nan 8.190 nan 0.000 0.424 534 N N 3.205 121.958 118.700 0.088 0.000 2.430 534 N HA 0.453 5.193 4.740 0.000 0.000 0.290 534 N C 0.191 175.810 175.510 0.181 0.000 1.063 534 N CA 0.348 53.506 53.050 0.181 0.000 0.883 534 N CB 2.090 40.741 38.487 0.274 0.000 1.465 534 N HN 1.086 nan 8.380 nan 0.000 0.493 535 A N 3.731 126.657 122.820 0.177 0.000 2.640 535 A HA -0.237 4.083 4.320 0.000 0.000 0.300 535 A C 0.781 178.513 177.584 0.247 0.000 1.499 535 A CA 1.463 53.625 52.037 0.208 0.000 0.759 535 A CB -1.509 17.617 19.000 0.210 0.000 1.048 535 A HN 1.016 nan 8.150 nan 0.000 0.450 536 R N -2.109 118.514 120.500 0.206 0.000 3.776 536 R HA -0.185 4.155 4.340 0.000 0.000 0.312 536 R C -0.323 175.989 176.300 0.020 0.000 1.181 536 R CA 1.485 57.740 56.100 0.258 0.000 0.836 536 R CB -2.064 28.350 30.300 0.191 0.000 1.324 536 R HN 0.924 nan 8.270 nan 0.000 0.501 537 H N -0.539 118.548 119.070 0.029 0.000 2.481 537 H HA 0.231 4.787 4.556 0.000 0.000 0.333 537 H C 0.165 175.383 175.328 -0.183 0.000 1.066 537 H CA -0.663 55.359 56.048 -0.043 0.000 1.209 537 H CB 1.481 31.216 29.762 -0.045 0.000 1.445 537 H HN 0.085 nan 8.280 nan 0.000 0.488 538 c N 5.633 124.181 118.600 -0.087 0.000 2.566 538 c HA 0.351 4.921 4.570 0.000 0.000 0.393 538 c C 0.555 174.504 174.090 -0.235 0.000 1.309 538 c CA -0.620 55.587 56.329 -0.204 0.000 1.801 538 c CB -1.585 40.842 42.510 -0.138 0.000 2.493 538 c HN 0.465 nan 8.230 nan 0.000 0.575 539 L N 5.603 126.550 121.223 -0.461 0.000 2.410 539 L HA 0.461 4.801 4.340 0.000 0.000 0.270 539 L C -2.483 174.185 176.870 -0.336 0.000 0.983 539 L CA -1.886 52.672 54.840 -0.470 0.000 0.822 539 L CB 1.788 43.401 42.059 -0.742 0.000 1.285 539 L HN 0.289 nan 8.230 nan 0.000 0.409 540 P HA 0.068 nan 4.420 nan 0.000 0.269 540 P C -0.593 176.810 177.300 0.172 0.000 1.209 540 P CA -0.437 62.678 63.100 0.025 0.000 0.776 540 P CB 0.486 32.198 31.700 0.021 0.000 0.876 541 c N 1.576 120.270 118.600 0.155 0.000 2.580 541 c HA 0.146 4.716 4.570 0.000 0.000 0.371 541 c C 1.166 175.349 174.090 0.156 0.000 1.308 541 c CA 0.019 56.459 56.329 0.185 0.000 2.428 541 c CB -1.127 41.453 42.510 0.116 0.000 2.529 541 c HN 0.599 nan 8.230 nan 0.000 0.657 542 H N 1.876 120.997 119.070 0.084 0.000 3.001 542 H HA 0.087 4.643 4.556 0.000 0.000 0.334 542 H C -1.555 173.811 175.328 0.064 0.000 1.034 542 H CA -0.336 55.758 56.048 0.077 0.000 1.420 542 H CB 0.572 30.385 29.762 0.085 0.000 1.405 542 H HN 0.378 nan 8.280 nan 0.000 0.593 543 P HA -0.138 nan 4.420 nan 0.000 0.223 543 P C 0.298 177.634 177.300 0.060 0.000 1.144 543 P CA 1.173 64.229 63.100 -0.073 0.000 0.783 543 P CB 0.359 31.973 31.700 -0.143 0.000 0.771 544 E N -1.447 118.876 120.200 0.205 0.000 2.451 544 E HA 0.090 4.440 4.350 0.000 0.000 0.194 544 E C -0.330 176.374 176.600 0.174 0.000 1.027 544 E CA -0.062 56.490 56.400 0.254 0.000 0.914 544 E CB -0.363 29.555 29.700 0.362 0.000 1.054 544 E HN 0.230 nan 8.360 nan 0.000 0.461 545 c N 1.355 120.034 118.600 0.131 0.000 2.307 545 c HA 0.330 4.900 4.570 0.000 0.000 0.340 545 c C 0.733 174.826 174.090 0.005 0.000 1.275 545 c CA -1.114 55.252 56.329 0.062 0.000 1.811 545 c CB 0.394 42.941 42.510 0.062 0.000 2.372 545 c HN 0.274 nan 8.230 nan 0.000 0.531 546 Q N 3.258 123.042 119.800 -0.027 0.000 2.286 546 Q HA 0.164 4.504 4.340 0.000 0.000 0.267 546 Q C -2.211 173.760 176.000 -0.047 0.000 1.028 546 Q CA -1.010 54.757 55.803 -0.060 0.000 0.901 546 Q CB 0.675 29.369 28.738 -0.075 0.000 1.183 546 Q HN 0.468 nan 8.270 nan 0.000 0.392 547 P HA -0.102 nan 4.420 nan 0.000 0.263 547 P C -1.165 176.108 177.300 -0.044 0.000 1.175 547 P CA 0.612 63.687 63.100 -0.042 0.000 0.761 547 P CB 0.455 32.131 31.700 -0.040 0.000 0.794 548 Q N 2.577 122.350 119.800 -0.045 0.000 2.348 548 Q HA 0.276 4.616 4.340 0.000 0.000 0.265 548 Q C -0.489 175.488 176.000 -0.039 0.000 0.998 548 Q CA -0.546 55.230 55.803 -0.045 0.000 0.831 548 Q CB 1.094 29.798 28.738 -0.055 0.000 1.251 548 Q HN 0.326 nan 8.270 nan 0.000 0.456 549 N N 0.905 119.586 118.700 -0.032 0.000 2.420 549 N HA 0.239 4.979 4.740 0.000 0.000 0.262 549 N C 1.013 176.509 175.510 -0.024 0.000 1.144 549 N CA 0.832 53.866 53.050 -0.026 0.000 0.952 549 N CB 0.954 39.427 38.487 -0.022 0.000 1.081 549 N HN 0.908 nan 8.380 nan 0.000 0.480 550 G N 0.562 109.348 108.800 -0.023 0.000 2.176 550 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 550 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 550 G C 0.197 175.083 174.900 -0.023 0.000 0.979 550 G CA 0.535 45.624 45.100 -0.019 0.000 0.641 550 G HN 0.797 nan 8.290 nan 0.000 0.530 551 S N -1.428 114.252 115.700 -0.034 0.000 2.627 551 S HA 0.715 5.185 4.470 0.000 0.000 0.283 551 S C 0.309 174.864 174.600 -0.075 0.000 1.127 551 S CA 0.099 58.271 58.200 -0.046 0.000 0.863 551 S CB 1.838 65.013 63.200 -0.042 0.000 1.121 551 S HN 1.267 nan 8.310 nan 0.000 0.479 552 V N 3.099 122.946 119.914 -0.112 0.000 2.763 552 V HA 0.190 4.310 4.120 0.000 0.000 0.306 552 V C 1.323 177.298 176.094 -0.200 0.000 1.059 552 V CA 0.384 62.576 62.300 -0.179 0.000 1.138 552 V CB 0.632 32.274 31.823 -0.301 0.000 0.940 552 V HN 1.043 nan 8.190 nan 0.000 0.489 553 T N 1.211 115.660 114.554 -0.174 0.000 3.015 553 T HA 0.171 4.521 4.350 0.000 0.000 0.250 553 T C 0.328 174.938 174.700 -0.150 0.000 1.057 553 T CA 0.815 62.837 62.100 -0.129 0.000 1.066 553 T CB 0.081 68.908 68.868 -0.068 0.000 0.959 553 T HN 0.998 nan 8.240 nan 0.000 0.488 554 c N -0.725 117.747 118.600 -0.214 0.000 3.285 554 c HA 0.721 5.291 4.570 0.000 0.000 0.325 554 c C -0.172 173.719 174.090 -0.333 0.000 1.304 554 c CA -1.296 54.911 56.329 -0.203 0.000 1.319 554 c CB -0.217 42.269 42.510 -0.040 0.000 1.640 554 c HN 0.174 nan 8.230 nan 0.000 0.477 555 F N 1.620 121.520 119.950 -0.083 0.000 2.695 555 F HA 0.579 5.106 4.527 0.000 0.000 0.303 555 F C 1.445 177.065 175.800 -0.301 0.000 1.091 555 F CA 0.920 58.846 58.000 -0.122 0.000 1.300 555 F CB 0.581 39.523 39.000 -0.096 0.000 1.071 555 F HN 1.261 nan 8.300 nan 0.000 0.578 556 G N -0.457 108.143 108.800 -0.333 0.000 2.342 556 G HA2 0.230 4.190 3.960 0.000 0.000 0.297 556 G HA3 0.230 4.190 3.960 0.000 0.000 0.297 556 G C -2.448 172.116 174.900 -0.560 0.000 1.313 556 G CA -0.584 44.006 45.100 -0.849 0.000 0.830 556 G HN -0.312 nan 8.290 nan 0.000 0.506 557 P HA 0.107 nan 4.420 nan 0.000 0.222 557 P C 0.590 177.967 177.300 0.128 0.000 1.153 557 P CA 0.836 63.984 63.100 0.080 0.000 0.798 557 P CB 0.465 32.286 31.700 0.201 0.000 0.796 558 E N -0.686 119.536 120.200 0.038 0.000 2.369 558 E HA 0.398 4.748 4.350 0.000 0.000 0.255 558 E C 1.370 177.941 176.600 -0.047 0.000 1.172 558 E CA -0.004 56.422 56.400 0.044 0.000 0.932 558 E CB 0.281 29.997 29.700 0.028 0.000 1.040 558 E HN -0.102 nan 8.360 nan 0.000 0.454 559 A N 1.287 124.010 122.820 -0.161 0.000 2.081 559 A HA -0.090 4.230 4.320 0.000 0.000 0.214 559 A C 1.304 178.810 177.584 -0.130 0.000 1.158 559 A CA 1.118 53.027 52.037 -0.214 0.000 0.724 559 A CB -0.333 18.483 19.000 -0.307 0.000 0.826 559 A HN 0.695 nan 8.150 nan 0.000 0.463 560 D N -0.030 120.213 120.400 -0.261 0.000 2.312 560 D HA -0.167 4.473 4.640 0.000 0.000 0.211 560 D C 1.134 177.349 176.300 -0.141 0.000 0.964 560 D CA 0.748 54.563 54.000 -0.308 0.000 0.877 560 D CB -0.430 40.065 40.800 -0.509 0.000 0.924 560 D HN 0.604 nan 8.370 nan 0.000 0.515 561 Q N 0.089 119.838 119.800 -0.085 0.000 2.320 561 Q HA 0.135 4.475 4.340 0.000 0.000 0.201 561 Q C 0.256 176.288 176.000 0.053 0.000 0.910 561 Q CA -0.086 55.721 55.803 0.007 0.000 0.946 561 Q CB 0.543 29.276 28.738 -0.007 0.000 1.062 561 Q HN 0.278 nan 8.270 nan 0.000 0.503 562 c N 0.339 118.946 118.600 0.012 0.000 2.463 562 c HA 0.135 4.705 4.570 0.000 0.000 0.380 562 c C 2.041 176.141 174.090 0.017 0.000 1.264 562 c CA -0.711 55.624 56.329 0.009 0.000 2.161 562 c CB 0.884 43.406 42.510 0.020 0.000 2.515 562 c HN 0.282 nan 8.230 nan 0.000 0.565 563 V N 2.347 122.255 119.914 -0.010 0.000 2.871 563 V HA 0.225 4.345 4.120 0.000 0.000 0.256 563 V C 0.932 177.027 176.094 0.001 0.000 1.082 563 V CA 2.054 64.355 62.300 0.002 0.000 1.105 563 V CB -0.283 31.513 31.823 -0.045 0.000 0.713 563 V HN 1.051 nan 8.190 nan 0.000 0.473 564 A N -1.820 120.996 122.820 -0.007 0.000 2.609 564 A HA 0.641 4.961 4.320 0.000 0.000 0.291 564 A C -1.013 176.572 177.584 0.001 0.000 1.096 564 A CA -0.280 51.754 52.037 -0.004 0.000 0.684 564 A CB 1.283 20.272 19.000 -0.018 0.000 1.282 564 A HN 0.203 nan 8.150 nan 0.000 0.412 565 c N 0.894 119.497 118.600 0.006 0.000 2.341 565 c HA 0.635 5.205 4.570 0.000 0.000 0.338 565 c C 1.879 175.949 174.090 -0.033 0.000 1.257 565 c CA 0.308 56.648 56.329 0.019 0.000 1.883 565 c CB 0.642 43.187 42.510 0.058 0.000 2.334 565 c HN 1.089 nan 8.230 nan 0.000 0.524 566 A N 1.996 124.784 122.820 -0.053 0.000 1.854 566 A HA -0.070 4.250 4.320 0.000 0.000 0.214 566 A C 1.608 178.970 177.584 -0.369 0.000 1.192 566 A CA 1.700 53.610 52.037 -0.211 0.000 0.611 566 A CB -0.474 18.391 19.000 -0.226 0.000 0.832 566 A HN 1.009 nan 8.150 nan 0.000 0.442 567 H N -4.501 114.530 119.070 -0.064 0.000 2.338 567 H HA 0.433 4.989 4.556 0.000 0.000 0.291 567 H C -0.481 174.637 175.328 -0.350 0.000 0.989 567 H CA 0.573 56.505 56.048 -0.193 0.000 1.281 567 H CB 0.458 30.167 29.762 -0.088 0.000 1.484 567 H HN 0.434 nan 8.280 nan 0.000 0.576 568 Y N -0.084 120.317 120.300 0.167 0.000 2.544 568 Y HA 0.281 4.831 4.550 -0.000 0.000 0.342 568 Y C -0.858 175.095 175.900 0.088 0.000 1.062 568 Y CA -1.216 56.946 58.100 0.103 0.000 1.023 568 Y CB 2.231 40.744 38.460 0.089 0.000 1.308 568 Y HN -0.157 nan 8.280 nan 0.000 0.457 569 K N 2.738 123.313 120.400 0.292 0.000 2.358 569 K HA 0.295 4.615 4.320 0.000 0.000 0.260 569 K C -2.003 174.677 176.600 0.133 0.000 0.956 569 K CA -0.433 55.958 56.287 0.174 0.000 0.834 569 K CB 1.359 33.934 32.500 0.125 0.000 1.102 569 K HN 0.776 nan 8.250 nan 0.000 0.431 570 D N 5.563 126.040 120.400 0.128 0.000 2.492 570 D HA 0.356 4.996 4.640 0.000 0.000 0.248 570 D C -2.549 173.833 176.300 0.136 0.000 1.101 570 D CA -2.070 51.992 54.000 0.105 0.000 0.840 570 D CB 1.629 42.479 40.800 0.084 0.000 1.209 570 D HN 0.176 nan 8.370 nan 0.000 0.524 571 P HA 0.142 nan 4.420 nan 0.000 0.268 571 P C -2.075 175.284 177.300 0.099 0.000 1.204 571 P CA -0.960 62.177 63.100 0.063 0.000 0.768 571 P CB 0.489 32.209 31.700 0.033 0.000 0.842 572 P HA 0.187 nan 4.420 nan 0.000 0.262 572 P C -0.214 176.971 177.300 -0.191 0.000 1.304 572 P CA 0.100 63.117 63.100 -0.138 0.000 0.859 572 P CB 0.190 31.738 31.700 -0.252 0.000 1.310 573 F N 0.142 120.075 119.950 -0.029 0.000 2.234 573 F HA 0.295 4.822 4.527 0.000 0.000 0.292 573 F C 0.993 176.778 175.800 -0.025 0.000 1.187 573 F CA -0.385 57.583 58.000 -0.054 0.000 1.128 573 F CB 0.123 39.083 39.000 -0.067 0.000 1.507 573 F HN -0.181 nan 8.300 nan 0.000 0.512 574 c N 1.653 120.375 118.600 0.203 0.000 2.397 574 c HA 0.747 5.317 4.570 0.000 0.000 0.325 574 c C -0.289 173.914 174.090 0.188 0.000 1.201 574 c CA -0.872 55.556 56.329 0.165 0.000 1.377 574 c CB 0.305 42.894 42.510 0.132 0.000 2.038 574 c HN 0.584 nan 8.230 nan 0.000 0.457 575 V N 0.631 120.661 119.914 0.194 0.000 3.119 575 V HA 0.996 5.116 4.120 0.000 0.000 0.311 575 V C 0.650 176.861 176.094 0.195 0.000 1.259 575 V CA -0.180 62.224 62.300 0.174 0.000 1.067 575 V CB 0.694 32.572 31.823 0.092 0.000 1.123 575 V HN 0.860 nan 8.190 nan 0.000 0.463 576 A N 0.264 123.165 122.820 0.136 0.000 1.881 576 A HA 0.149 4.469 4.320 0.000 0.000 0.208 576 A C 1.463 179.142 177.584 0.159 0.000 1.264 576 A CA 1.400 53.502 52.037 0.110 0.000 0.629 576 A CB -0.607 18.417 19.000 0.039 0.000 0.906 576 A HN 0.897 nan 8.150 nan 0.000 0.476 577 R N 0.000 120.543 120.500 0.071 0.000 2.786 577 R HA 0.000 4.340 4.340 0.000 0.000 0.208 577 R CA 0.000 56.105 56.100 0.008 0.000 0.921 577 R CB 0.000 30.285 30.300 -0.025 0.000 0.687 577 R HN 0.000 nan 8.270 nan 0.000 0.535