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 3mzw_1_A 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 PPFcVARC 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 0.000 174.811 174.700 0.185 0.000 1.109 1 T CA 0.000 62.185 62.100 0.142 0.000 1.349 1 T CB 0.000 69.002 68.868 0.223 0.000 0.612 2 Q N 1.133 121.013 119.800 0.134 0.000 2.230 2 Q HA 0.162 4.504 4.340 0.003 0.000 0.202 2 Q C 0.488 176.559 176.000 0.118 0.000 0.963 2 Q CA 0.788 56.661 55.803 0.117 0.000 0.866 2 Q CB 0.172 28.964 28.738 0.089 0.000 0.931 2 Q HN 0.423 nan 8.270 nan 0.000 0.452 3 V N 1.499 121.494 119.914 0.135 0.000 2.630 3 V HA 0.463 4.585 4.120 0.003 0.000 0.305 3 V C -0.107 175.996 176.094 0.015 0.000 1.046 3 V CA -0.673 61.689 62.300 0.103 0.000 0.934 3 V CB 1.536 33.475 31.823 0.194 0.000 1.003 3 V HN 0.626 nan 8.190 nan 0.000 0.451 4 c N 1.484 120.043 118.600 -0.068 0.000 3.239 4 c HA 0.816 5.388 4.570 0.003 0.000 0.317 4 c C -0.144 173.877 174.090 -0.115 0.000 1.310 4 c CA -0.637 55.549 56.329 -0.239 0.000 1.371 4 c CB 1.129 43.306 42.510 -0.554 0.000 1.714 4 c HN 0.850 nan 8.230 nan 0.000 0.473 5 T N 1.413 115.889 114.554 -0.131 0.000 2.875 5 T HA 0.672 5.024 4.350 0.003 0.000 0.284 5 T C 0.787 175.416 174.700 -0.119 0.000 0.995 5 T CA 0.350 62.409 62.100 -0.069 0.000 1.060 5 T CB 1.319 70.172 68.868 -0.026 0.000 0.967 5 T HN 1.400 nan 8.240 nan 0.000 0.476 6 G N 1.520 110.292 108.800 -0.046 0.000 2.624 6 G HA2 0.591 4.552 3.960 0.003 0.000 0.217 6 G HA3 0.591 4.552 3.960 0.003 0.000 0.217 6 G C 0.129 174.998 174.900 -0.053 0.000 1.506 6 G CA -0.036 45.069 45.100 0.009 0.000 1.072 6 G HN 1.030 nan 8.290 nan 0.000 0.568 7 T N -4.096 110.453 114.554 -0.009 0.000 2.693 7 T HA 0.585 4.937 4.350 0.003 0.000 0.278 7 T C -1.336 173.362 174.700 -0.003 0.000 0.994 7 T CA -0.442 61.643 62.100 -0.025 0.000 1.033 7 T CB 2.428 71.297 68.868 0.003 0.000 1.342 7 T HN 0.304 nan 8.240 nan 0.000 0.538 8 D N -0.758 119.659 120.400 0.029 0.000 3.453 8 D HA 0.263 4.904 4.640 0.003 0.000 0.312 8 D C -0.141 176.213 176.300 0.090 0.000 1.349 8 D CA -0.234 53.808 54.000 0.070 0.000 0.739 8 D CB 0.225 41.045 40.800 0.033 0.000 1.312 8 D HN 0.584 nan 8.370 nan 0.000 0.628 9 M N 0.346 120.028 119.600 0.135 0.000 2.308 9 M HA 0.234 4.715 4.480 0.003 0.000 0.269 9 M C 0.713 177.133 176.300 0.201 0.000 1.040 9 M CA 0.104 55.490 55.300 0.143 0.000 1.024 9 M CB 0.104 32.794 32.600 0.150 0.000 1.465 9 M HN -0.043 nan 8.290 nan 0.000 0.517 10 K N -0.467 120.094 120.400 0.269 0.000 1.824 10 K HA -0.306 4.016 4.320 0.003 0.000 0.120 10 K C 0.553 177.329 176.600 0.294 0.000 1.268 10 K CA 2.016 58.507 56.287 0.340 0.000 0.420 10 K CB -1.452 31.298 32.500 0.418 0.000 0.586 10 K HN 0.275 nan 8.250 nan 0.000 0.907 11 L N 1.128 122.543 121.223 0.320 0.000 2.591 11 L HA 0.081 4.422 4.340 0.003 0.000 0.228 11 L C 1.020 178.064 176.870 0.290 0.000 1.133 11 L CA 0.021 55.060 54.840 0.332 0.000 0.880 11 L CB -0.208 42.060 42.059 0.350 0.000 1.033 11 L HN 0.224 nan 8.230 nan 0.000 0.450 12 R N 1.246 121.865 120.500 0.199 0.000 2.583 12 R HA 0.099 4.441 4.340 0.003 0.000 0.274 12 R C -0.458 175.852 176.300 0.017 0.000 0.998 12 R CA -0.387 55.774 56.100 0.102 0.000 1.081 12 R CB 0.375 30.727 30.300 0.087 0.000 0.940 12 R HN -0.003 nan 8.270 nan 0.000 0.413 13 L N 3.194 124.333 121.223 -0.140 0.000 2.439 13 L HA 0.375 4.716 4.340 0.003 0.000 0.269 13 L C -2.097 174.611 176.870 -0.271 0.000 1.179 13 L CA -1.961 52.614 54.840 -0.442 0.000 0.828 13 L CB -0.501 41.218 42.059 -0.567 0.000 1.106 13 L HN 0.403 nan 8.230 nan 0.000 0.467 14 P HA 0.104 nan 4.420 nan 0.000 0.266 14 P C 0.208 177.467 177.300 -0.067 0.000 1.195 14 P CA 0.198 63.201 63.100 -0.162 0.000 0.768 14 P CB 0.921 32.409 31.700 -0.353 0.000 0.838 15 A N 2.178 125.021 122.820 0.037 0.000 1.873 15 A HA -0.068 4.253 4.320 0.003 0.000 0.215 15 A C 1.356 178.928 177.584 -0.020 0.000 1.186 15 A CA 1.550 53.613 52.037 0.043 0.000 0.616 15 A CB -0.584 18.453 19.000 0.061 0.000 0.823 15 A HN 0.495 nan 8.150 nan 0.000 0.442 16 S N -0.484 115.159 115.700 -0.095 0.000 2.532 16 S HA 0.493 4.965 4.470 0.003 0.000 0.256 16 S C -2.132 172.448 174.600 -0.034 0.000 1.298 16 S CA -1.513 56.587 58.200 -0.167 0.000 1.166 16 S CB 0.943 63.869 63.200 -0.457 0.000 1.022 16 S HN 0.099 nan 8.310 nan 0.000 0.480 17 P HA -0.075 nan 4.420 nan 0.000 0.216 17 P C 0.881 178.203 177.300 0.038 0.000 1.150 17 P CA 0.969 64.067 63.100 -0.003 0.000 0.837 17 P CB 0.211 31.891 31.700 -0.033 0.000 0.786 18 E N -1.095 119.109 120.200 0.007 0.000 2.267 18 E HA -0.118 4.233 4.350 0.003 0.000 0.197 18 E C 1.587 178.177 176.600 -0.017 0.000 0.998 18 E CA 1.793 58.189 56.400 -0.007 0.000 0.830 18 E CB -1.040 28.638 29.700 -0.037 0.000 0.751 18 E HN 0.423 nan 8.360 nan 0.000 0.491 19 T N -4.231 110.314 114.554 -0.016 0.000 3.003 19 T HA 0.108 4.459 4.350 0.003 0.000 0.261 19 T C 1.461 176.186 174.700 0.042 0.000 1.003 19 T CA 0.069 62.154 62.100 -0.025 0.000 0.917 19 T CB -0.198 68.613 68.868 -0.095 0.000 1.084 19 T HN 0.140 nan 8.240 nan 0.000 0.522 20 H N 1.490 120.560 119.070 -0.001 0.000 2.319 20 H HA 0.082 4.640 4.556 0.002 0.000 0.297 20 H C 1.913 177.272 175.328 0.052 0.000 1.097 20 H CA 1.869 57.941 56.048 0.039 0.000 1.285 20 H CB -0.485 29.311 29.762 0.057 0.000 1.368 20 H HN 0.311 nan 8.280 nan 0.000 0.495 21 L N -0.258 120.999 121.223 0.057 0.000 2.056 21 L HA -0.143 4.198 4.340 0.003 0.000 0.207 21 L C 2.124 178.945 176.870 -0.081 0.000 1.078 21 L CA 1.952 56.804 54.840 0.020 0.000 0.749 21 L CB -0.312 41.817 42.059 0.118 0.000 0.901 21 L HN 0.399 nan 8.230 nan 0.000 0.433 22 D N -0.782 119.589 120.400 -0.048 0.000 2.178 22 D HA -0.263 4.379 4.640 0.003 0.000 0.202 22 D C 2.185 178.459 176.300 -0.043 0.000 0.974 22 D CA 1.176 55.144 54.000 -0.053 0.000 0.841 22 D CB 0.014 40.814 40.800 0.001 0.000 0.953 22 D HN 0.229 nan 8.370 nan 0.000 0.478 23 M N -0.158 119.394 119.600 -0.080 0.000 2.067 23 M HA -0.158 4.324 4.480 0.003 0.000 0.260 23 M C 1.651 177.822 176.300 -0.215 0.000 1.069 23 M CA 1.065 56.299 55.300 -0.110 0.000 1.117 23 M CB -0.489 32.054 32.600 -0.096 0.000 1.334 23 M HN 0.104 nan 8.290 nan 0.000 0.407 24 L N 0.823 121.872 121.223 -0.289 0.000 2.013 24 L HA -0.227 4.115 4.340 0.003 0.000 0.212 24 L C 2.709 179.209 176.870 -0.616 0.000 1.073 24 L CA 2.091 56.759 54.840 -0.287 0.000 0.753 24 L CB -1.549 40.444 42.059 -0.109 0.000 0.890 24 L HN 0.447 nan 8.230 nan 0.000 0.432 25 R N -1.481 118.465 120.500 -0.924 0.000 2.083 25 R HA -0.179 4.163 4.340 0.003 0.000 0.237 25 R C 2.396 178.335 176.300 -0.601 0.000 1.137 25 R CA 1.382 56.735 56.100 -1.246 0.000 0.951 25 R CB -0.290 29.489 30.300 -0.869 0.000 0.851 25 R HN 0.454 nan 8.270 nan 0.000 0.434 26 H N -0.247 118.603 119.070 -0.366 0.000 2.457 26 H HA -0.131 4.426 4.556 0.002 0.000 0.297 26 H C 1.862 177.076 175.328 -0.190 0.000 1.092 26 H CA 1.361 57.267 56.048 -0.236 0.000 1.309 26 H CB 0.180 29.809 29.762 -0.221 0.000 1.382 26 H HN 0.188 nan 8.280 nan 0.000 0.535 27 L N -0.372 120.718 121.223 -0.221 0.000 2.095 27 L HA -0.110 4.232 4.340 0.003 0.000 0.204 27 L C 1.347 177.939 176.870 -0.462 0.000 1.080 27 L CA 1.659 56.240 54.840 -0.433 0.000 0.759 27 L CB -0.611 40.995 42.059 -0.754 0.000 0.914 27 L HN 0.193 nan 8.230 nan 0.000 0.439 28 Y N -2.124 118.157 120.300 -0.032 0.000 2.481 28 Y HA 0.243 4.795 4.550 0.003 0.000 0.247 28 Y C 0.776 176.766 175.900 0.151 0.000 1.151 28 Y CA -0.701 57.441 58.100 0.071 0.000 1.238 28 Y CB 0.213 38.780 38.460 0.178 0.000 1.179 28 Y HN 0.080 nan 8.280 nan 0.000 0.524 29 Q N 1.271 121.190 119.800 0.198 0.000 2.242 29 Q HA 0.225 4.566 4.340 0.003 0.000 0.284 29 Q C 1.233 177.341 176.000 0.181 0.000 1.130 29 Q CA 1.221 57.121 55.803 0.162 0.000 0.940 29 Q CB 0.060 28.799 28.738 0.002 0.000 1.146 29 Q HN 0.593 nan 8.270 nan 0.000 0.388 30 G N 2.709 111.610 108.800 0.169 0.000 2.189 30 G HA2 -0.366 3.596 3.960 0.003 0.000 0.267 30 G HA3 -0.366 3.596 3.960 0.003 0.000 0.267 30 G C 0.434 175.430 174.900 0.160 0.000 0.975 30 G CA 0.072 45.251 45.100 0.132 0.000 0.644 30 G HN 0.906 nan 8.290 nan 0.000 0.537 31 c N 0.134 118.861 118.600 0.211 0.000 2.662 31 c HA 0.602 5.174 4.570 0.003 0.000 0.420 31 c C 1.741 175.903 174.090 0.119 0.000 1.314 31 c CA 0.987 57.421 56.329 0.175 0.000 1.963 31 c CB 0.735 43.346 42.510 0.170 0.000 2.686 31 c HN 0.625 nan 8.230 nan 0.000 0.609 32 Q N 2.186 122.037 119.800 0.086 0.000 2.342 32 Q HA 0.286 4.628 4.340 0.003 0.000 0.261 32 Q C -0.606 175.414 176.000 0.033 0.000 0.841 32 Q CA 0.315 56.149 55.803 0.052 0.000 0.969 32 Q CB 0.951 29.717 28.738 0.048 0.000 1.136 32 Q HN 0.631 nan 8.270 nan 0.000 0.528 33 V N 1.551 121.487 119.914 0.037 0.000 2.525 33 V HA 0.295 4.417 4.120 0.003 0.000 0.299 33 V C -0.718 175.384 176.094 0.012 0.000 1.034 33 V CA -0.722 61.585 62.300 0.012 0.000 0.863 33 V CB 2.079 33.906 31.823 0.006 0.000 0.999 33 V HN -0.131 nan 8.190 nan 0.000 0.423 34 V N 5.395 125.312 119.914 0.005 0.000 2.304 34 V HA 0.278 4.400 4.120 0.003 0.000 0.269 34 V C 0.244 176.323 176.094 -0.025 0.000 1.036 34 V CA -0.714 61.601 62.300 0.024 0.000 0.840 34 V CB 1.123 32.981 31.823 0.059 0.000 1.036 34 V HN 0.823 nan 8.190 nan 0.000 0.466 35 Q N 4.236 124.013 119.800 -0.039 0.000 2.301 35 Q HA 0.437 4.779 4.340 0.003 0.000 0.262 35 Q C 0.888 176.863 176.000 -0.041 0.000 1.168 35 Q CA 0.898 56.664 55.803 -0.061 0.000 0.908 35 Q CB 0.690 29.394 28.738 -0.057 0.000 1.348 35 Q HN 1.100 nan 8.270 nan 0.000 0.441 36 G N 3.517 112.282 108.800 -0.059 0.000 2.416 36 G HA2 -0.190 3.772 3.960 0.003 0.000 0.203 36 G HA3 -0.190 3.772 3.960 0.003 0.000 0.203 36 G C -0.941 173.869 174.900 -0.150 0.000 1.227 36 G CA -0.914 44.138 45.100 -0.081 0.000 1.041 36 G HN 0.567 nan 8.290 nan 0.000 0.546 37 N N 0.136 118.695 118.700 -0.236 0.000 2.430 37 N HA 0.529 5.270 4.740 0.003 0.000 0.292 37 N C -0.677 174.710 175.510 -0.206 0.000 1.051 37 N CA -0.473 52.309 53.050 -0.446 0.000 0.917 37 N CB 2.176 40.045 38.487 -1.029 0.000 1.164 37 N HN 0.714 nan 8.380 nan 0.000 0.484 38 L N 1.399 122.511 121.223 -0.184 0.000 2.270 38 L HA 0.298 4.639 4.340 0.003 0.000 0.286 38 L C -0.346 176.485 176.870 -0.064 0.000 1.059 38 L CA -0.053 54.725 54.840 -0.105 0.000 0.839 38 L CB 0.002 41.945 42.059 -0.192 0.000 1.221 38 L HN 0.417 nan 8.230 nan 0.000 0.431 39 E N 5.891 126.111 120.200 0.032 0.000 2.145 39 E HA 0.498 4.850 4.350 0.003 0.000 0.270 39 E C -1.197 175.475 176.600 0.120 0.000 0.906 39 E CA -0.427 56.027 56.400 0.091 0.000 0.761 39 E CB 1.824 31.613 29.700 0.148 0.000 1.116 39 E HN 0.539 nan 8.360 nan 0.000 0.408 40 L N 3.416 124.694 121.223 0.093 0.000 2.442 40 L HA 0.353 4.695 4.340 0.003 0.000 0.261 40 L C -0.665 176.283 176.870 0.130 0.000 1.000 40 L CA -0.473 54.437 54.840 0.116 0.000 0.882 40 L CB 1.449 43.524 42.059 0.026 0.000 1.207 40 L HN 0.556 nan 8.230 nan 0.000 0.443 41 T N -2.283 112.424 114.554 0.256 0.000 2.912 41 T HA 0.568 4.919 4.350 0.003 0.000 0.299 41 T C -0.277 174.623 174.700 0.333 0.000 1.052 41 T CA -0.604 61.622 62.100 0.210 0.000 0.996 41 T CB 1.238 70.272 68.868 0.276 0.000 1.070 41 T HN 0.393 nan 8.240 nan 0.000 0.465 42 Y N -0.080 120.287 120.300 0.111 0.000 3.305 42 Y HA -0.142 4.409 4.550 0.003 0.000 0.209 42 Y C -0.132 175.822 175.900 0.090 0.000 1.354 42 Y CA -0.227 57.901 58.100 0.048 0.000 1.392 42 Y CB -2.127 36.276 38.460 -0.095 0.000 1.446 42 Y HN 0.670 nan 8.280 nan 0.000 0.553 43 L N 3.375 124.709 121.223 0.185 0.000 2.275 43 L HA 0.474 4.816 4.340 0.003 0.000 0.288 43 L C -1.792 175.149 176.870 0.118 0.000 1.046 43 L CA -1.956 52.991 54.840 0.179 0.000 0.805 43 L CB 1.198 43.345 42.059 0.147 0.000 1.193 43 L HN -0.097 nan 8.230 nan 0.000 0.426 44 P HA 0.012 nan 4.420 nan 0.000 0.276 44 P C 0.588 177.924 177.300 0.060 0.000 1.244 44 P CA -0.376 62.775 63.100 0.085 0.000 0.801 44 P CB 1.148 32.899 31.700 0.086 0.000 1.006 45 T N 0.836 115.417 114.554 0.046 0.000 2.699 45 T HA -0.184 4.168 4.350 0.003 0.000 0.268 45 T C 1.324 176.040 174.700 0.027 0.000 1.036 45 T CA 1.894 64.013 62.100 0.032 0.000 1.147 45 T CB -0.752 68.131 68.868 0.026 0.000 0.862 45 T HN 0.311 nan 8.240 nan 0.000 0.446 46 N N 1.024 119.742 118.700 0.030 0.000 2.314 46 N HA 0.378 5.120 4.740 0.003 0.000 0.200 46 N C -0.120 175.406 175.510 0.027 0.000 1.135 46 N CA 0.271 53.335 53.050 0.024 0.000 0.835 46 N CB 0.046 38.545 38.487 0.021 0.000 0.989 46 N HN 0.554 nan 8.380 nan 0.000 0.478 47 A N 0.447 123.290 122.820 0.038 0.000 2.545 47 A HA 0.096 4.418 4.320 0.003 0.000 0.253 47 A C 0.696 178.297 177.584 0.027 0.000 1.074 47 A CA 0.042 52.111 52.037 0.054 0.000 0.760 47 A CB -0.039 19.011 19.000 0.083 0.000 1.005 47 A HN 0.187 nan 8.150 nan 0.000 0.506 48 S N 2.357 118.080 115.700 0.040 0.000 2.481 48 S HA 0.369 4.841 4.470 0.003 0.000 0.276 48 S C 0.308 174.880 174.600 -0.048 0.000 1.247 48 S CA -0.382 57.822 58.200 0.007 0.000 1.053 48 S CB -0.334 62.889 63.200 0.038 0.000 0.925 48 S HN 0.594 nan 8.310 nan 0.000 0.491 49 L N 4.691 125.777 121.223 -0.228 0.000 3.168 49 L HA 0.179 4.521 4.340 0.003 0.000 0.277 49 L C 1.667 178.082 176.870 -0.758 0.000 1.245 49 L CA -0.173 54.287 54.840 -0.634 0.000 1.035 49 L CB 0.258 42.058 42.059 -0.432 0.000 1.399 49 L HN 0.763 nan 8.230 nan 0.000 0.580 50 S N -0.112 115.348 115.700 -0.401 0.000 2.474 50 S HA -0.167 4.304 4.470 0.003 0.000 0.235 50 S C 1.694 176.179 174.600 -0.193 0.000 0.997 50 S CA 0.505 58.563 58.200 -0.237 0.000 0.949 50 S CB -0.626 62.519 63.200 -0.092 0.000 0.766 50 S HN 0.556 nan 8.310 nan 0.000 0.517 51 F N 1.370 121.317 119.950 -0.005 0.000 2.494 51 F HA 0.244 4.772 4.527 0.003 0.000 0.298 51 F C 1.354 177.168 175.800 0.023 0.000 1.106 51 F CA 0.072 58.080 58.000 0.013 0.000 1.452 51 F CB -0.914 38.100 39.000 0.023 0.000 1.085 51 F HN 0.121 nan 8.300 nan 0.000 0.569 52 L N 0.989 122.086 121.223 -0.209 0.000 2.558 52 L HA 0.013 4.355 4.340 0.003 0.000 0.225 52 L C 2.572 179.388 176.870 -0.090 0.000 1.128 52 L CA 0.421 55.188 54.840 -0.121 0.000 0.868 52 L CB -0.658 41.228 42.059 -0.290 0.000 1.006 52 L HN 0.348 nan 8.230 nan 0.000 0.454 53 Q N -0.517 119.236 119.800 -0.078 0.000 2.369 53 Q HA -0.169 4.173 4.340 0.003 0.000 0.206 53 Q C 0.732 176.710 176.000 -0.038 0.000 0.963 53 Q CA 1.202 56.963 55.803 -0.071 0.000 0.894 53 Q CB -0.077 28.623 28.738 -0.064 0.000 0.965 53 Q HN 0.404 nan 8.270 nan 0.000 0.475 54 D N 0.960 121.358 120.400 -0.002 0.000 2.347 54 D HA 0.130 4.772 4.640 0.003 0.000 0.213 54 D C 0.239 176.541 176.300 0.004 0.000 0.985 54 D CA 0.137 54.144 54.000 0.011 0.000 0.879 54 D CB 0.215 41.042 40.800 0.044 0.000 0.919 54 D HN 0.292 nan 8.370 nan 0.000 0.526 55 I N 1.604 122.168 120.570 -0.011 0.000 2.662 55 I HA -0.110 4.062 4.170 0.003 0.000 0.285 55 I C 1.500 177.592 176.117 -0.043 0.000 1.161 55 I CA 0.555 61.840 61.300 -0.025 0.000 1.415 55 I CB 0.680 38.638 38.000 -0.070 0.000 1.385 55 I HN -0.163 nan 8.210 nan 0.000 0.552 56 Q N 4.111 123.894 119.800 -0.028 0.000 2.391 56 Q HA 0.191 4.533 4.340 0.003 0.000 0.243 56 Q C 0.197 176.175 176.000 -0.037 0.000 0.874 56 Q CA 0.213 55.996 55.803 -0.035 0.000 0.950 56 Q CB 0.876 29.602 28.738 -0.020 0.000 1.103 56 Q HN 0.651 nan 8.270 nan 0.000 0.544 57 E N 0.378 120.559 120.200 -0.032 0.000 2.292 57 E HA 0.438 4.789 4.350 0.003 0.000 0.272 57 E C -1.687 174.890 176.600 -0.038 0.000 0.881 57 E CA -0.602 55.777 56.400 -0.034 0.000 0.754 57 E CB 2.239 31.920 29.700 -0.032 0.000 1.201 57 E HN -0.160 nan 8.360 nan 0.000 0.425 58 V N 5.199 125.088 119.914 -0.041 0.000 2.409 58 V HA 0.112 4.233 4.120 0.003 0.000 0.290 58 V C 0.985 177.052 176.094 -0.045 0.000 1.017 58 V CA -0.445 61.827 62.300 -0.046 0.000 0.841 58 V CB 1.395 33.186 31.823 -0.053 0.000 1.003 58 V HN 0.861 nan 8.190 nan 0.000 0.426 59 Q N 2.598 122.364 119.800 -0.057 0.000 2.096 59 Q HA -0.123 4.218 4.340 0.003 0.000 0.204 59 Q C 1.631 177.607 176.000 -0.040 0.000 0.982 59 Q CA 2.054 57.822 55.803 -0.059 0.000 0.850 59 Q CB 0.180 28.876 28.738 -0.071 0.000 0.901 59 Q HN 0.973 nan 8.270 nan 0.000 0.422 60 G N -0.556 108.207 108.800 -0.062 0.000 3.287 60 G HA2 0.150 4.112 3.960 0.003 0.000 0.172 60 G HA3 0.150 4.112 3.960 0.003 0.000 0.172 60 G C -0.229 174.686 174.900 0.026 0.000 1.922 60 G CA 0.316 45.376 45.100 -0.066 0.000 0.952 60 G HN 0.328 nan 8.290 nan 0.000 0.520 61 Y N -2.365 117.968 120.300 0.056 0.000 2.633 61 Y HA 0.754 5.306 4.550 0.002 0.000 0.339 61 Y C -0.828 175.093 175.900 0.035 0.000 1.045 61 Y CA -1.882 56.258 58.100 0.067 0.000 1.098 61 Y CB 1.333 39.865 38.460 0.121 0.000 1.296 61 Y HN 0.254 nan 8.280 nan 0.000 0.494 62 V N 2.790 122.867 119.914 0.273 0.000 2.417 62 V HA 0.477 4.598 4.120 0.003 0.000 0.291 62 V C -1.103 175.086 176.094 0.158 0.000 1.024 62 V CA -0.584 61.795 62.300 0.130 0.000 0.861 62 V CB 1.296 33.142 31.823 0.038 0.000 0.985 62 V HN 0.722 nan 8.190 nan 0.000 0.436 63 L N 7.086 128.367 121.223 0.097 0.000 2.343 63 L HA 0.682 5.023 4.340 0.003 0.000 0.278 63 L C -0.843 175.987 176.870 -0.066 0.000 0.996 63 L CA 0.140 54.948 54.840 -0.053 0.000 0.831 63 L CB 1.286 43.298 42.059 -0.079 0.000 1.232 63 L HN 0.591 nan 8.230 nan 0.000 0.413 64 I N 5.847 126.353 120.570 -0.107 0.000 2.437 64 I HA 0.741 4.912 4.170 0.003 0.000 0.279 64 I C -0.256 175.782 176.117 -0.132 0.000 1.028 64 I CA -0.261 60.987 61.300 -0.086 0.000 1.142 64 I CB 1.306 39.266 38.000 -0.067 0.000 1.266 64 I HN 0.771 nan 8.210 nan 0.000 0.461 65 A N 3.910 126.650 122.820 -0.133 0.000 2.515 65 A HA 0.618 4.939 4.320 0.003 0.000 0.298 65 A C 0.108 177.534 177.584 -0.263 0.000 1.059 65 A CA -0.461 51.438 52.037 -0.230 0.000 0.698 65 A CB 0.752 19.627 19.000 -0.208 0.000 1.289 65 A HN 0.747 nan 8.150 nan 0.000 0.404 66 H N 0.262 119.131 119.070 -0.335 0.000 2.690 66 H HA -0.142 4.415 4.556 0.003 0.000 0.309 66 H C -0.070 175.029 175.328 -0.381 0.000 1.138 66 H CA 1.287 57.042 56.048 -0.488 0.000 1.142 66 H CB -1.234 27.861 29.762 -1.111 0.000 1.410 66 H HN 0.659 nan 8.280 nan 0.000 0.409 67 N N 0.674 119.298 118.700 -0.127 0.000 2.492 67 N HA 0.106 4.848 4.740 0.003 0.000 0.289 67 N C 1.245 176.743 175.510 -0.019 0.000 1.133 67 N CA -0.308 52.714 53.050 -0.047 0.000 0.961 67 N CB 1.536 40.008 38.487 -0.026 0.000 1.186 67 N HN 0.230 nan 8.380 nan 0.000 0.493 68 Q N 0.111 119.919 119.800 0.013 0.000 2.373 68 Q HA 0.099 4.440 4.340 0.003 0.000 0.210 68 Q C 0.251 176.259 176.000 0.013 0.000 0.913 68 Q CA 0.106 55.919 55.803 0.017 0.000 0.911 68 Q CB 0.181 28.940 28.738 0.035 0.000 1.040 68 Q HN 0.629 nan 8.270 nan 0.000 0.521 69 V N -0.176 119.747 119.914 0.015 0.000 3.209 69 V HA -0.068 4.054 4.120 0.003 0.000 0.305 69 V C 0.932 177.025 176.094 -0.001 0.000 1.127 69 V CA 0.209 62.514 62.300 0.007 0.000 1.235 69 V CB 0.588 32.412 31.823 0.001 0.000 0.987 69 V HN 0.147 nan 8.190 nan 0.000 0.499 70 R N -0.020 120.479 120.500 -0.002 0.000 2.189 70 R HA 0.222 4.564 4.340 0.003 0.000 0.203 70 R C 0.835 177.134 176.300 -0.001 0.000 1.012 70 R CA 0.440 56.540 56.100 0.000 0.000 1.015 70 R CB 0.148 30.451 30.300 0.005 0.000 0.938 70 R HN 0.813 nan 8.270 nan 0.000 0.472 71 Q N 0.255 120.047 119.800 -0.014 0.000 2.379 71 Q HA 0.293 4.635 4.340 0.003 0.000 0.278 71 Q C -1.640 174.330 176.000 -0.050 0.000 1.068 71 Q CA -0.750 55.039 55.803 -0.023 0.000 0.816 71 Q CB 2.875 31.598 28.738 -0.024 0.000 1.387 71 Q HN 0.017 nan 8.270 nan 0.000 0.413 72 V N 0.384 120.261 119.914 -0.061 0.000 2.350 72 V HA 0.550 4.671 4.120 0.003 0.000 0.285 72 V C -2.533 173.489 176.094 -0.121 0.000 1.014 72 V CA -2.287 59.954 62.300 -0.098 0.000 0.831 72 V CB 1.188 32.956 31.823 -0.092 0.000 1.000 72 V HN 0.572 nan 8.190 nan 0.000 0.433 73 P HA 0.297 nan 4.420 nan 0.000 0.244 73 P C 0.055 177.261 177.300 -0.157 0.000 1.723 73 P CA 0.440 63.451 63.100 -0.148 0.000 1.110 73 P CB -0.113 31.485 31.700 -0.171 0.000 1.972 74 L N 1.150 122.282 121.223 -0.152 0.000 3.017 74 L HA 0.160 4.502 4.340 0.003 0.000 0.255 74 L C 1.404 178.170 176.870 -0.174 0.000 1.247 74 L CA -0.016 54.726 54.840 -0.163 0.000 1.038 74 L CB 0.150 42.106 42.059 -0.171 0.000 1.380 74 L HN 0.032 nan 8.230 nan 0.000 0.548 75 Q N -0.009 119.698 119.800 -0.155 0.000 2.234 75 Q HA -0.130 4.212 4.340 0.003 0.000 0.206 75 Q C 1.913 177.826 176.000 -0.146 0.000 0.980 75 Q CA 1.392 57.100 55.803 -0.160 0.000 0.869 75 Q CB -0.106 28.561 28.738 -0.118 0.000 0.912 75 Q HN 0.329 nan 8.270 nan 0.000 0.436 76 R N -0.486 119.943 120.500 -0.118 0.000 2.297 76 R HA 0.152 4.494 4.340 0.003 0.000 0.197 76 R C 0.057 176.299 176.300 -0.097 0.000 0.943 76 R CA -0.179 55.865 56.100 -0.093 0.000 1.038 76 R CB 0.095 30.355 30.300 -0.066 0.000 0.957 76 R HN 0.239 nan 8.270 nan 0.000 0.484 77 L N 1.904 123.053 121.223 -0.124 0.000 2.562 77 L HA -0.045 4.296 4.340 0.003 0.000 0.271 77 L C 1.179 177.983 176.870 -0.109 0.000 1.167 77 L CA 0.536 55.308 54.840 -0.115 0.000 0.917 77 L CB 0.533 42.509 42.059 -0.138 0.000 1.187 77 L HN 0.064 nan 8.230 nan 0.000 0.482 78 R N 5.067 125.525 120.500 -0.069 0.000 2.142 78 R HA 0.345 4.687 4.340 0.003 0.000 0.204 78 R C -0.030 176.256 176.300 -0.023 0.000 1.059 78 R CA 0.437 56.509 56.100 -0.047 0.000 1.055 78 R CB 0.407 30.688 30.300 -0.032 0.000 0.976 78 R HN 0.645 nan 8.270 nan 0.000 0.483 79 I N 0.885 121.442 120.570 -0.021 0.000 2.610 79 I HA 0.316 4.487 4.170 0.003 0.000 0.289 79 I C -1.783 174.331 176.117 -0.004 0.000 1.163 79 I CA -1.115 60.183 61.300 -0.003 0.000 1.044 79 I CB 2.171 40.162 38.000 -0.016 0.000 1.251 79 I HN -0.097 nan 8.210 nan 0.000 0.424 80 V N 7.535 127.464 119.914 0.025 0.000 2.384 80 V HA 0.544 4.666 4.120 0.003 0.000 0.287 80 V C 0.582 176.694 176.094 0.031 0.000 1.020 80 V CA -0.250 62.069 62.300 0.030 0.000 0.850 80 V CB 1.634 33.495 31.823 0.063 0.000 0.987 80 V HN 0.928 nan 8.190 nan 0.000 0.436 81 R N 4.408 124.907 120.500 -0.003 0.000 2.161 81 R HA 0.265 4.607 4.340 0.003 0.000 0.213 81 R C 1.510 177.809 176.300 -0.002 0.000 1.055 81 R CA 0.707 56.789 56.100 -0.030 0.000 0.996 81 R CB 0.059 30.319 30.300 -0.066 0.000 0.901 81 R HN 1.309 nan 8.270 nan 0.000 0.456 82 G N 1.102 109.926 108.800 0.039 0.000 2.246 82 G HA2 -0.278 3.683 3.960 0.003 0.000 0.273 82 G HA3 -0.278 3.683 3.960 0.003 0.000 0.273 82 G C 0.656 175.589 174.900 0.054 0.000 1.055 82 G CA 0.657 45.803 45.100 0.075 0.000 0.851 82 G HN 0.287 nan 8.290 nan 0.000 0.500 83 T N -0.398 114.176 114.554 0.033 0.000 2.759 83 T HA -0.025 4.326 4.350 0.003 0.000 0.269 83 T C 1.250 175.987 174.700 0.061 0.000 1.042 83 T CA 2.103 64.219 62.100 0.027 0.000 1.140 83 T CB -0.027 68.845 68.868 0.006 0.000 0.864 83 T HN 0.801 nan 8.240 nan 0.000 0.455 84 Q N -0.150 119.718 119.800 0.114 0.000 2.387 84 Q HA 0.727 5.068 4.340 0.003 0.000 0.273 84 Q C -1.253 174.937 176.000 0.316 0.000 1.089 84 Q CA -0.645 55.269 55.803 0.185 0.000 0.824 84 Q CB 2.318 31.190 28.738 0.224 0.000 1.367 84 Q HN 0.232 nan 8.270 nan 0.000 0.443 85 L N 1.240 122.588 121.223 0.209 0.000 2.362 85 L HA 0.534 4.875 4.340 0.003 0.000 0.271 85 L C -0.763 176.039 176.870 -0.114 0.000 1.002 85 L CA -1.044 53.865 54.840 0.115 0.000 0.818 85 L CB 1.174 43.232 42.059 -0.002 0.000 1.298 85 L HN 0.582 nan 8.230 nan 0.000 0.420 86 F N 2.659 122.255 119.950 -0.591 0.000 2.506 86 F HA 0.088 4.616 4.527 0.002 0.000 0.371 86 F C 0.957 176.603 175.800 -0.258 0.000 1.078 86 F CA -0.060 57.522 58.000 -0.696 0.000 1.195 86 F CB -0.052 38.483 39.000 -0.776 0.000 1.099 86 F HN 0.696 nan 8.300 nan 0.000 0.548 87 E N 3.642 123.367 120.200 -0.792 0.000 2.476 87 E HA -0.318 4.033 4.350 0.003 0.000 0.251 87 E C -0.159 176.225 176.600 -0.360 0.000 1.130 87 E CA 0.713 56.769 56.400 -0.573 0.000 0.736 87 E CB -1.409 27.943 29.700 -0.581 0.000 1.298 87 E HN 0.808 nan 8.360 nan 0.000 0.400 88 D N -1.450 118.790 120.400 -0.265 0.000 2.931 88 D HA -0.242 4.399 4.640 0.003 0.000 0.228 88 D C 0.607 176.746 176.300 -0.268 0.000 1.180 88 D CA 1.405 55.286 54.000 -0.199 0.000 0.784 88 D CB -0.807 39.900 40.800 -0.155 0.000 1.093 88 D HN 0.502 nan 8.370 nan 0.000 0.421 89 N N -1.402 117.055 118.700 -0.405 0.000 2.559 89 N HA 0.016 4.757 4.740 0.003 0.000 0.247 89 N C 0.030 175.201 175.510 -0.564 0.000 1.063 89 N CA 0.362 53.011 53.050 -0.668 0.000 0.876 89 N CB 0.556 38.271 38.487 -1.286 0.000 1.608 89 N HN 0.216 nan 8.380 nan 0.000 0.467 90 Y N 0.083 120.376 120.300 -0.011 0.000 2.377 90 Y HA 0.599 5.151 4.550 0.002 0.000 0.339 90 Y C 0.940 176.881 175.900 0.068 0.000 1.011 90 Y CA -0.864 57.253 58.100 0.030 0.000 1.093 90 Y CB 1.916 40.418 38.460 0.070 0.000 1.201 90 Y HN -0.040 nan 8.280 nan 0.000 0.455 91 A N 2.313 125.283 122.820 0.250 0.000 2.030 91 A HA 0.167 4.488 4.320 0.003 0.000 0.215 91 A C -0.110 177.620 177.584 0.244 0.000 1.164 91 A CA 0.674 52.855 52.037 0.240 0.000 0.697 91 A CB 0.245 19.374 19.000 0.215 0.000 0.827 91 A HN 0.529 nan 8.150 nan 0.000 0.457 92 L N -0.769 120.574 121.223 0.200 0.000 2.441 92 L HA 0.748 5.090 4.340 0.003 0.000 0.270 92 L C -0.769 176.107 176.870 0.010 0.000 0.973 92 L CA -0.623 54.286 54.840 0.114 0.000 0.842 92 L CB 1.469 43.599 42.059 0.119 0.000 1.239 92 L HN 0.147 nan 8.230 nan 0.000 0.406 93 A N 5.167 127.946 122.820 -0.069 0.000 2.340 93 A HA 0.750 5.072 4.320 0.003 0.000 0.297 93 A C -1.356 176.096 177.584 -0.220 0.000 1.195 93 A CA -0.484 51.423 52.037 -0.217 0.000 0.769 93 A CB 1.261 20.031 19.000 -0.384 0.000 1.163 93 A HN 0.508 nan 8.150 nan 0.000 0.472 94 V N 4.414 124.220 119.914 -0.180 0.000 2.293 94 V HA 0.431 4.552 4.120 0.003 0.000 0.275 94 V C -0.405 175.588 176.094 -0.167 0.000 1.021 94 V CA -0.088 62.128 62.300 -0.140 0.000 0.815 94 V CB 0.343 32.128 31.823 -0.063 0.000 1.025 94 V HN 0.743 nan 8.190 nan 0.000 0.448 95 L N 3.464 124.561 121.223 -0.210 0.000 2.385 95 L HA 0.628 4.970 4.340 0.003 0.000 0.273 95 L C -0.017 176.667 176.870 -0.310 0.000 0.990 95 L CA -0.715 53.983 54.840 -0.238 0.000 0.821 95 L CB 1.920 43.828 42.059 -0.250 0.000 1.279 95 L HN 0.551 nan 8.230 nan 0.000 0.412 96 D N 1.729 121.970 120.400 -0.265 0.000 2.699 96 D HA -0.170 4.471 4.640 0.003 0.000 0.239 96 D C -0.508 175.641 176.300 -0.252 0.000 1.136 96 D CA 0.731 54.551 54.000 -0.300 0.000 0.668 96 D CB -0.742 39.720 40.800 -0.564 0.000 1.060 96 D HN 0.593 nan 8.370 nan 0.000 0.429 97 N N 0.875 119.479 118.700 -0.159 0.000 2.589 97 N HA 0.508 5.250 4.740 0.003 0.000 0.232 97 N C 0.577 176.050 175.510 -0.062 0.000 1.015 97 N CA -0.031 52.955 53.050 -0.106 0.000 0.931 97 N CB 1.914 40.348 38.487 -0.088 0.000 1.150 97 N HN 0.353 nan 8.380 nan 0.000 0.512 98 G N 1.031 109.806 108.800 -0.041 0.000 2.429 98 G HA2 -0.004 3.958 3.960 0.003 0.000 0.300 98 G HA3 -0.004 3.958 3.960 0.003 0.000 0.300 98 G C -1.458 173.440 174.900 -0.003 0.000 1.598 98 G CA -0.827 44.260 45.100 -0.021 0.000 0.863 98 G HN 0.190 nan 8.290 nan 0.000 0.614 99 D N 1.664 122.067 120.400 0.004 0.000 2.533 99 D HA 0.202 4.843 4.640 0.003 0.000 0.236 99 D C -1.612 174.700 176.300 0.019 0.000 1.137 99 D CA 0.017 54.026 54.000 0.015 0.000 0.867 99 D CB 1.443 42.250 40.800 0.013 0.000 1.170 99 D HN 0.100 nan 8.370 nan 0.000 0.474 100 P HA 0.028 nan 4.420 nan 0.000 0.232 100 P C 0.256 177.573 177.300 0.028 0.000 1.738 100 P CA -0.455 62.667 63.100 0.037 0.000 0.948 100 P CB -0.225 31.506 31.700 0.051 0.000 1.943 112 P HA 0.503 nan 4.420 nan 0.000 0.275 112 P C 0.091 177.395 177.300 0.007 0.000 1.228 112 P CA 0.113 63.217 63.100 0.007 0.000 0.786 112 P CB 0.467 32.169 31.700 0.004 0.000 0.927 113 G N -0.517 108.288 108.800 0.008 0.000 2.522 113 G HA2 0.640 4.601 3.960 0.003 0.000 0.304 113 G HA3 0.640 4.601 3.960 0.003 0.000 0.304 113 G C -0.225 174.676 174.900 0.001 0.000 1.210 113 G CA -0.331 44.773 45.100 0.007 0.000 0.960 113 G HN 0.890 nan 8.290 nan 0.000 0.497 114 G N -1.714 107.085 108.800 -0.002 0.000 2.402 114 G HA2 0.353 4.315 3.960 0.003 0.000 0.666 114 G HA3 0.353 4.315 3.960 0.003 0.000 0.666 114 G C -0.933 173.962 174.900 -0.008 0.000 1.402 114 G CA -0.523 44.571 45.100 -0.011 0.000 0.920 114 G HN 1.191 nan 8.290 nan 0.000 0.651 115 L N 0.751 121.966 121.223 -0.013 0.000 2.490 115 L HA 0.517 4.859 4.340 0.003 0.000 0.274 115 L C 1.688 178.563 176.870 0.009 0.000 1.201 115 L CA 0.672 55.510 54.840 -0.003 0.000 0.869 115 L CB 0.544 42.598 42.059 -0.009 0.000 1.123 115 L HN 0.719 nan 8.230 nan 0.000 0.484 116 R N 2.110 122.625 120.500 0.025 0.000 2.142 116 R HA 0.269 4.611 4.340 0.003 0.000 0.204 116 R C -0.308 176.040 176.300 0.080 0.000 1.059 116 R CA 0.239 56.361 56.100 0.038 0.000 1.055 116 R CB 0.338 30.664 30.300 0.043 0.000 0.976 116 R HN 0.661 nan 8.270 nan 0.000 0.483 117 E N 0.132 120.399 120.200 0.111 0.000 2.343 117 E HA 0.217 4.569 4.350 0.003 0.000 0.270 117 E C 0.137 176.831 176.600 0.157 0.000 0.895 117 E CA -0.413 56.101 56.400 0.189 0.000 0.767 117 E CB 2.549 32.376 29.700 0.213 0.000 1.248 117 E HN -0.059 nan 8.360 nan 0.000 0.440 118 L N 0.658 122.025 121.223 0.239 0.000 2.162 118 L HA -0.044 4.298 4.340 0.003 0.000 0.205 118 L C 0.493 177.399 176.870 0.060 0.000 1.086 118 L CA 0.672 55.627 54.840 0.192 0.000 0.778 118 L CB -0.083 42.199 42.059 0.372 0.000 0.928 118 L HN 0.649 nan 8.230 nan 0.000 0.446 119 Q N 0.528 120.398 119.800 0.117 0.000 2.439 119 Q HA -0.206 4.136 4.340 0.003 0.000 0.325 119 Q C -0.327 175.486 176.000 -0.312 0.000 1.372 119 Q CA 0.190 55.972 55.803 -0.036 0.000 0.909 119 Q CB -1.485 27.238 28.738 -0.024 0.000 1.167 119 Q HN 0.452 nan 8.270 nan 0.000 0.418 120 L N 0.438 121.193 121.223 -0.781 0.000 3.048 120 L HA 0.187 4.529 4.340 0.003 0.000 0.234 120 L C 1.761 177.923 176.870 -1.181 0.000 1.318 120 L CA -0.282 53.975 54.840 -0.972 0.000 1.109 120 L CB -0.092 41.290 42.059 -1.128 0.000 1.480 120 L HN 0.293 nan 8.230 nan 0.000 0.495 121 R N -1.927 118.161 120.500 -0.686 0.000 2.249 121 R HA -0.091 4.250 4.340 0.003 0.000 0.230 121 R C 1.311 177.481 176.300 -0.217 0.000 1.121 121 R CA 1.287 57.170 56.100 -0.361 0.000 0.997 121 R CB -0.424 29.810 30.300 -0.110 0.000 0.867 121 R HN 0.219 nan 8.270 nan 0.000 0.465 122 S N 0.514 116.067 115.700 -0.246 0.000 2.575 122 S HA 0.120 4.592 4.470 0.003 0.000 0.215 122 S C 0.158 174.684 174.600 -0.123 0.000 0.966 122 S CA -0.477 57.639 58.200 -0.138 0.000 0.911 122 S CB 0.143 63.273 63.200 -0.116 0.000 0.780 122 S HN 0.156 nan 8.310 nan 0.000 0.514 123 L N 3.714 124.813 121.223 -0.207 0.000 2.407 123 L HA 0.273 4.615 4.340 0.003 0.000 0.282 123 L C 0.932 177.818 176.870 0.026 0.000 1.110 123 L CA 0.687 55.459 54.840 -0.113 0.000 0.863 123 L CB 0.079 42.016 42.059 -0.203 0.000 1.207 123 L HN 0.150 nan 8.230 nan 0.000 0.454 124 T N 0.137 114.715 114.554 0.040 0.000 2.986 124 T HA 0.307 4.658 4.350 0.003 0.000 0.264 124 T C 0.304 175.058 174.700 0.090 0.000 0.964 124 T CA -0.236 61.904 62.100 0.067 0.000 0.895 124 T CB 0.169 69.064 68.868 0.045 0.000 1.163 124 T HN 0.385 nan 8.240 nan 0.000 0.517 125 E N 0.768 121.024 120.200 0.094 0.000 2.265 125 E HA 0.612 4.964 4.350 0.003 0.000 0.262 125 E C -1.691 174.995 176.600 0.144 0.000 0.889 125 E CA -0.615 55.859 56.400 0.123 0.000 0.789 125 E CB 1.211 30.960 29.700 0.082 0.000 1.221 125 E HN 0.391 nan 8.360 nan 0.000 0.414 126 I N 6.837 127.546 120.570 0.232 0.000 2.420 126 I HA 0.185 4.356 4.170 0.003 0.000 0.282 126 I C 0.932 177.170 176.117 0.202 0.000 1.019 126 I CA -0.425 61.023 61.300 0.247 0.000 1.130 126 I CB 1.176 39.424 38.000 0.413 0.000 1.262 126 I HN 0.627 nan 8.210 nan 0.000 0.454 127 L N 4.395 125.649 121.223 0.052 0.000 2.083 127 L HA -0.005 4.337 4.340 0.003 0.000 0.209 127 L C 0.947 177.809 176.870 -0.013 0.000 1.083 127 L CA 1.455 56.248 54.840 -0.078 0.000 0.752 127 L CB -0.247 41.700 42.059 -0.187 0.000 0.899 127 L HN 0.518 nan 8.230 nan 0.000 0.433 128 K N -0.857 119.550 120.400 0.011 0.000 2.561 128 K HA 0.474 4.796 4.320 0.003 0.000 0.254 128 K C -0.634 175.957 176.600 -0.015 0.000 0.942 128 K CA 0.183 56.459 56.287 -0.019 0.000 0.818 128 K CB 1.845 34.333 32.500 -0.020 0.000 1.306 128 K HN 0.094 nan 8.250 nan 0.000 0.435 129 G N 1.192 109.936 108.800 -0.093 0.000 2.655 129 G HA2 0.114 4.075 3.960 0.003 0.000 0.680 129 G HA3 0.114 4.075 3.960 0.003 0.000 0.680 129 G C -0.337 174.478 174.900 -0.142 0.000 1.302 129 G CA -0.511 44.533 45.100 -0.094 0.000 0.872 129 G HN 0.882 nan 8.290 nan 0.000 0.540 130 G N -2.062 106.722 108.800 -0.025 0.000 3.107 130 G HA2 0.892 4.853 3.960 0.003 0.000 0.232 130 G HA3 0.892 4.853 3.960 0.003 0.000 0.232 130 G C -0.927 174.161 174.900 0.313 0.000 1.339 130 G CA 0.103 45.248 45.100 0.075 0.000 1.033 130 G HN 1.644 nan 8.290 nan 0.000 0.567 131 V N 0.031 120.094 119.914 0.248 0.000 2.638 131 V HA 0.594 4.716 4.120 0.003 0.000 0.306 131 V C -1.168 174.747 176.094 -0.298 0.000 1.052 131 V CA -0.595 61.651 62.300 -0.089 0.000 0.885 131 V CB 1.589 33.064 31.823 -0.580 0.000 0.999 131 V HN 0.630 nan 8.190 nan 0.000 0.424 132 L N 6.297 127.212 121.223 -0.514 0.000 2.372 132 L HA 0.706 5.048 4.340 0.003 0.000 0.274 132 L C -1.031 175.607 176.870 -0.386 0.000 0.988 132 L CA 0.118 54.537 54.840 -0.701 0.000 0.833 132 L CB 1.228 42.465 42.059 -1.370 0.000 1.236 132 L HN 0.608 nan 8.230 nan 0.000 0.410 133 I N 5.380 125.786 120.570 -0.274 0.000 2.468 133 I HA 0.470 4.641 4.170 0.003 0.000 0.284 133 I C -0.936 175.103 176.117 -0.130 0.000 1.038 133 I CA -0.469 60.733 61.300 -0.164 0.000 1.083 133 I CB 1.469 39.414 38.000 -0.092 0.000 1.223 133 I HN 0.508 nan 8.210 nan 0.000 0.443 134 Q N 5.687 125.412 119.800 -0.126 0.000 2.345 134 Q HA 0.484 4.826 4.340 0.003 0.000 0.275 134 Q C -0.671 175.272 176.000 -0.095 0.000 1.063 134 Q CA -0.966 54.776 55.803 -0.102 0.000 0.819 134 Q CB 2.890 31.567 28.738 -0.102 0.000 1.356 134 Q HN 0.529 nan 8.270 nan 0.000 0.418 135 R N 1.681 122.137 120.500 -0.073 0.000 3.079 135 R HA -0.138 4.203 4.340 0.003 0.000 0.254 135 R C -0.761 175.493 176.300 -0.076 0.000 0.900 135 R CA 0.378 56.438 56.100 -0.067 0.000 0.641 135 R CB -1.512 28.748 30.300 -0.067 0.000 1.307 135 R HN 0.535 nan 8.270 nan 0.000 0.477 136 N N 0.680 119.343 118.700 -0.062 0.000 2.716 136 N HA 0.140 4.882 4.740 0.003 0.000 0.253 136 N C -2.221 173.264 175.510 -0.042 0.000 1.170 136 N CA -1.461 51.556 53.050 -0.056 0.000 0.807 136 N CB 1.897 40.353 38.487 -0.052 0.000 1.183 136 N HN -0.025 nan 8.380 nan 0.000 0.524 137 P HA -0.114 nan 4.420 nan 0.000 0.219 137 P C 0.831 178.111 177.300 -0.033 0.000 1.146 137 P CA 1.423 64.504 63.100 -0.032 0.000 0.808 137 P CB 0.447 32.132 31.700 -0.024 0.000 0.779 138 Q N -1.464 118.318 119.800 -0.030 0.000 2.219 138 Q HA 0.186 4.528 4.340 0.003 0.000 0.209 138 Q C 0.239 176.217 176.000 -0.036 0.000 0.854 138 Q CA -0.347 55.439 55.803 -0.029 0.000 0.960 138 Q CB 0.065 28.794 28.738 -0.015 0.000 1.116 138 Q HN 0.254 nan 8.270 nan 0.000 0.500 139 L N 0.734 121.934 121.223 -0.039 0.000 2.326 139 L HA 0.262 4.603 4.340 0.003 0.000 0.278 139 L C -0.748 176.071 176.870 -0.086 0.000 1.092 139 L CA -0.044 54.777 54.840 -0.033 0.000 0.810 139 L CB 0.938 42.992 42.059 -0.009 0.000 1.153 139 L HN 0.033 nan 8.230 nan 0.000 0.439 140 c N 3.116 121.641 118.600 -0.125 0.000 2.848 140 c HA 0.503 5.075 4.570 0.003 0.000 0.317 140 c C -0.063 173.887 174.090 -0.232 0.000 1.260 140 c CA -0.411 55.695 56.329 -0.372 0.000 1.656 140 c CB 1.017 43.044 42.510 -0.806 0.000 2.174 140 c HN 0.949 nan 8.230 nan 0.000 0.479 141 Y N -0.719 119.580 120.300 -0.002 0.000 4.929 141 Y HA -0.321 4.231 4.550 0.002 0.000 0.253 141 Y C 2.137 177.989 175.900 -0.081 0.000 0.946 141 Y CA 1.021 59.092 58.100 -0.049 0.000 1.905 141 Y CB -1.460 36.970 38.460 -0.049 0.000 1.400 141 Y HN 0.835 nan 8.280 nan 0.000 0.531 142 Q N 1.636 121.489 119.800 0.089 0.000 2.123 142 Q HA -0.136 4.205 4.340 0.003 0.000 0.199 142 Q C 1.289 177.369 176.000 0.134 0.000 0.966 142 Q CA 1.920 57.807 55.803 0.139 0.000 0.845 142 Q CB -0.425 28.433 28.738 0.200 0.000 0.907 142 Q HN 0.676 nan 8.270 nan 0.000 0.439 143 D N 0.537 120.982 120.400 0.075 0.000 2.350 143 D HA -0.091 4.551 4.640 0.003 0.000 0.216 143 D C 1.424 177.726 176.300 0.004 0.000 0.968 143 D CA 1.244 55.283 54.000 0.066 0.000 0.894 143 D CB -0.427 40.388 40.800 0.026 0.000 0.909 143 D HN 0.210 nan 8.370 nan 0.000 0.520 144 T N -0.483 114.032 114.554 -0.066 0.000 3.054 144 T HA 0.116 4.467 4.350 0.003 0.000 0.259 144 T C 0.792 175.307 174.700 -0.307 0.000 1.092 144 T CA -0.329 61.689 62.100 -0.138 0.000 1.121 144 T CB -0.005 68.811 68.868 -0.086 0.000 0.912 144 T HN 0.000 nan 8.240 nan 0.000 0.489 145 I N 2.704 122.967 120.570 -0.513 0.000 2.529 145 I HA 0.173 4.345 4.170 0.003 0.000 0.284 145 I C 0.365 176.007 176.117 -0.793 0.000 1.082 145 I CA -0.481 60.267 61.300 -0.921 0.000 1.406 145 I CB 0.764 37.754 38.000 -1.684 0.000 1.405 145 I HN 0.176 nan 8.210 nan 0.000 0.548 146 L N 7.108 127.967 121.223 -0.606 0.000 2.356 146 L HA 0.063 4.404 4.340 0.003 0.000 0.282 146 L C 0.339 176.968 176.870 -0.402 0.000 1.132 146 L CA -0.076 54.543 54.840 -0.368 0.000 0.923 146 L CB 0.067 41.995 42.059 -0.218 0.000 1.278 146 L HN 0.707 nan 8.230 nan 0.000 0.436 147 W N 3.223 124.380 121.300 -0.238 0.000 2.388 147 W HA -0.140 4.521 4.660 0.002 0.000 0.294 147 W C 2.168 178.373 176.519 -0.524 0.000 1.212 147 W CA 0.602 57.680 57.345 -0.444 0.000 1.271 147 W CB 0.010 29.176 29.460 -0.489 0.000 1.126 147 W HN 0.477 nan 8.180 nan 0.000 0.535 148 K N 0.055 120.448 120.400 -0.012 0.000 2.211 148 K HA -0.226 4.095 4.320 0.003 0.000 0.204 148 K C 1.617 178.257 176.600 0.067 0.000 1.047 148 K CA 1.544 57.895 56.287 0.107 0.000 0.935 148 K CB -0.404 32.186 32.500 0.150 0.000 0.728 148 K HN 0.209 nan 8.250 nan 0.000 0.452 149 D N 0.871 121.260 120.400 -0.018 0.000 2.178 149 D HA -0.109 4.533 4.640 0.003 0.000 0.202 149 D C 1.731 178.047 176.300 0.026 0.000 0.974 149 D CA 0.891 54.888 54.000 -0.006 0.000 0.841 149 D CB 0.204 40.974 40.800 -0.050 0.000 0.953 149 D HN 0.197 nan 8.370 nan 0.000 0.478 150 I N -0.073 120.489 120.570 -0.014 0.000 2.406 150 I HA -0.078 4.094 4.170 0.003 0.000 0.249 150 I C 0.943 177.190 176.117 0.216 0.000 1.122 150 I CA 0.039 61.379 61.300 0.067 0.000 1.431 150 I CB -0.203 37.837 38.000 0.066 0.000 1.087 150 I HN -0.154 nan 8.210 nan 0.000 0.424 151 F N 1.518 121.590 119.950 0.203 0.000 2.563 151 F HA -0.021 4.508 4.527 0.002 0.000 0.363 151 F C 1.327 177.225 175.800 0.163 0.000 1.123 151 F CA -0.190 57.919 58.000 0.182 0.000 1.307 151 F CB 0.084 39.182 39.000 0.164 0.000 1.115 151 F HN 0.131 nan 8.300 nan 0.000 0.592 152 H N 3.502 122.728 119.070 0.259 0.000 2.745 152 H HA -0.010 4.547 4.556 0.003 0.000 0.373 152 H C 1.134 176.529 175.328 0.112 0.000 1.226 152 H CA -0.001 56.126 56.048 0.131 0.000 1.435 152 H CB 0.948 30.753 29.762 0.072 0.000 1.461 152 H HN 0.701 nan 8.280 nan 0.000 0.616 153 K N 1.265 121.429 120.400 -0.393 0.000 2.059 153 K HA -0.198 4.124 4.320 0.003 0.000 0.212 153 K C 1.532 178.096 176.600 -0.061 0.000 1.050 153 K CA 1.999 58.163 56.287 -0.205 0.000 0.927 153 K CB -0.009 32.324 32.500 -0.278 0.000 0.714 153 K HN 0.660 nan 8.250 nan 0.000 0.447 154 N N 0.079 118.768 118.700 -0.017 0.000 2.512 154 N HA -0.143 4.599 4.740 0.003 0.000 0.183 154 N C 0.826 176.353 175.510 0.028 0.000 1.073 154 N CA 0.943 54.017 53.050 0.039 0.000 0.911 154 N CB -0.409 38.129 38.487 0.086 0.000 0.964 154 N HN 0.345 nan 8.380 nan 0.000 0.447 155 N N -0.078 118.649 118.700 0.045 0.000 2.373 155 N HA -0.007 4.735 4.740 0.003 0.000 0.181 155 N C 1.081 176.538 175.510 -0.088 0.000 1.082 155 N CA -0.180 52.833 53.050 -0.062 0.000 0.885 155 N CB 0.230 38.685 38.487 -0.053 0.000 0.977 155 N HN -0.098 nan 8.380 nan 0.000 0.462 156 Q N 0.565 120.406 119.800 0.068 0.000 2.165 156 Q HA -0.192 4.150 4.340 0.003 0.000 0.215 156 Q C 1.238 177.294 176.000 0.093 0.000 1.010 156 Q CA 1.380 57.273 55.803 0.149 0.000 0.896 156 Q CB -0.257 28.543 28.738 0.103 0.000 0.956 156 Q HN 0.297 nan 8.270 nan 0.000 0.413 157 L N -0.563 120.656 121.223 -0.007 0.000 2.599 157 L HA 0.243 4.584 4.340 0.003 0.000 0.230 157 L C 0.390 177.202 176.870 -0.097 0.000 1.141 157 L CA 0.336 55.163 54.840 -0.023 0.000 0.877 157 L CB -1.888 40.157 42.059 -0.022 0.000 1.009 157 L HN 0.072 nan 8.230 nan 0.000 0.447 158 A N 1.063 123.721 122.820 -0.270 0.000 2.609 158 A HA 0.056 4.377 4.320 0.003 0.000 0.232 158 A C 0.637 178.115 177.584 -0.177 0.000 1.041 158 A CA 0.080 51.876 52.037 -0.403 0.000 0.753 158 A CB -0.350 18.027 19.000 -1.037 0.000 0.966 158 A HN 0.400 nan 8.150 nan 0.000 0.510 159 L N 0.372 121.539 121.223 -0.093 0.000 2.375 159 L HA 0.764 5.105 4.340 0.003 0.000 0.271 159 L C -0.381 176.571 176.870 0.136 0.000 1.107 159 L CA -0.320 54.538 54.840 0.030 0.000 0.806 159 L CB 1.288 43.357 42.059 0.017 0.000 1.146 159 L HN 0.482 nan 8.230 nan 0.000 0.447 160 T N 4.768 119.390 114.554 0.114 0.000 3.008 160 T HA 0.527 4.879 4.350 0.003 0.000 0.328 160 T C -0.563 174.128 174.700 -0.014 0.000 1.020 160 T CA -0.245 61.875 62.100 0.033 0.000 1.043 160 T CB 0.824 69.704 68.868 0.020 0.000 1.010 160 T HN 0.369 nan 8.240 nan 0.000 0.466 161 L N 4.507 125.698 121.223 -0.053 0.000 2.276 161 L HA 0.597 4.938 4.340 0.003 0.000 0.286 161 L C -0.361 176.430 176.870 -0.132 0.000 1.024 161 L CA -0.163 54.636 54.840 -0.068 0.000 0.826 161 L CB 0.986 43.021 42.059 -0.040 0.000 1.211 161 L HN 0.615 nan 8.230 nan 0.000 0.422 162 I N 2.480 122.998 120.570 -0.086 0.000 2.493 162 I HA 0.204 4.376 4.170 0.003 0.000 0.279 162 I C -0.565 175.528 176.117 -0.039 0.000 1.045 162 I CA -0.693 60.561 61.300 -0.076 0.000 1.106 162 I CB 1.779 39.747 38.000 -0.053 0.000 1.216 162 I HN 0.454 nan 8.210 nan 0.000 0.459 163 D N 3.908 124.280 120.400 -0.048 0.000 2.382 163 D HA 0.165 4.806 4.640 0.003 0.000 0.245 163 D C 0.984 177.269 176.300 -0.026 0.000 1.120 163 D CA 0.218 54.197 54.000 -0.036 0.000 0.890 163 D CB 1.362 42.134 40.800 -0.046 0.000 1.201 163 D HN 0.639 nan 8.370 nan 0.000 0.433 164 T N -0.656 113.884 114.554 -0.023 0.000 2.958 164 T HA 0.136 4.487 4.350 0.003 0.000 0.256 164 T C 0.676 175.356 174.700 -0.033 0.000 0.983 164 T CA -0.546 61.539 62.100 -0.025 0.000 0.924 164 T CB -0.205 68.652 68.868 -0.019 0.000 1.136 164 T HN 0.334 nan 8.240 nan 0.000 0.506 165 N N 3.022 121.704 118.700 -0.030 0.000 2.131 165 N HA 0.032 4.774 4.740 0.003 0.000 0.276 165 N C -0.036 175.451 175.510 -0.038 0.000 1.295 165 N CA 0.821 53.852 53.050 -0.031 0.000 0.818 165 N CB 0.654 39.125 38.487 -0.027 0.000 1.049 165 N HN 0.527 nan 8.380 nan 0.000 0.484 166 R N 0.525 121.000 120.500 -0.041 0.000 2.922 166 R HA 0.425 4.767 4.340 0.003 0.000 0.256 166 R C 0.029 176.305 176.300 -0.039 0.000 1.138 166 R CA -0.759 55.313 56.100 -0.046 0.000 0.995 166 R CB 1.068 31.330 30.300 -0.064 0.000 1.226 166 R HN 0.330 nan 8.270 nan 0.000 0.481 167 S N 0.161 115.839 115.700 -0.037 0.000 2.855 167 S HA 0.187 4.658 4.470 0.003 0.000 0.249 167 S C -0.708 173.873 174.600 -0.032 0.000 1.033 167 S CA -0.547 57.635 58.200 -0.030 0.000 1.038 167 S CB 0.077 63.264 63.200 -0.022 0.000 0.960 167 S HN 0.487 nan 8.310 nan 0.000 0.548 168 R N -0.216 120.258 120.500 -0.043 0.000 2.663 168 R HA 0.797 5.139 4.340 0.003 0.000 0.267 168 R C -1.149 175.109 176.300 -0.069 0.000 1.038 168 R CA -0.997 55.075 56.100 -0.047 0.000 0.886 168 R CB 0.738 31.017 30.300 -0.034 0.000 1.249 168 R HN 0.023 nan 8.270 nan 0.000 0.463 169 A N 1.460 124.233 122.820 -0.078 0.000 2.340 169 A HA 0.534 4.856 4.320 0.003 0.000 0.268 169 A C -0.193 177.316 177.584 -0.126 0.000 1.100 169 A CA -0.593 51.382 52.037 -0.104 0.000 0.803 169 A CB 0.392 19.326 19.000 -0.110 0.000 1.043 169 A HN 0.768 nan 8.150 nan 0.000 0.488 170 c N 2.096 120.609 118.600 -0.145 0.000 2.365 170 c HA 0.481 5.053 4.570 0.003 0.000 0.351 170 c C 0.681 174.744 174.090 -0.044 0.000 1.240 170 c CA -0.740 55.503 56.329 -0.143 0.000 2.062 170 c CB -0.311 41.973 42.510 -0.375 0.000 2.387 170 c HN 0.854 nan 8.230 nan 0.000 0.537 171 H N 1.728 120.850 119.070 0.087 0.000 2.757 171 H HA 0.163 4.721 4.556 0.002 0.000 0.370 171 H C -2.039 173.414 175.328 0.208 0.000 1.172 171 H CA -0.247 55.877 56.048 0.127 0.000 1.426 171 H CB 0.162 29.998 29.762 0.123 0.000 1.438 171 H HN 0.438 nan 8.280 nan 0.000 0.612 172 P HA 0.064 nan 4.420 nan 0.000 0.278 172 P C -0.362 177.002 177.300 0.106 0.000 1.238 172 P CA -0.517 62.686 63.100 0.172 0.000 0.794 172 P CB 0.460 32.211 31.700 0.084 0.000 0.955 173 c N 1.997 120.614 118.600 0.027 0.000 2.437 173 c HA 0.015 4.586 4.570 0.003 0.000 0.399 173 c C 1.601 175.642 174.090 -0.082 0.000 1.478 173 c CA 0.292 56.539 56.329 -0.137 0.000 1.538 173 c CB -1.609 40.810 42.510 -0.152 0.000 2.506 173 c HN 0.686 nan 8.230 nan 0.000 0.603 174 S N 4.922 120.560 115.700 -0.102 0.000 2.643 174 S HA -0.051 4.421 4.470 0.003 0.000 0.310 174 S C -1.070 173.499 174.600 -0.052 0.000 1.253 174 S CA -0.412 57.749 58.200 -0.066 0.000 1.047 174 S CB 0.389 63.544 63.200 -0.074 0.000 0.767 174 S HN 0.658 nan 8.310 nan 0.000 0.498 175 P HA -0.054 nan 4.420 nan 0.000 0.226 175 P C 1.167 178.447 177.300 -0.034 0.000 1.146 175 P CA 0.688 63.771 63.100 -0.029 0.000 0.773 175 P CB 0.068 31.756 31.700 -0.019 0.000 0.772 176 M N -1.507 118.070 119.600 -0.039 0.000 2.476 176 M HA -0.029 4.453 4.480 0.003 0.000 0.262 176 M C 0.295 176.568 176.300 -0.045 0.000 1.079 176 M CA 0.349 55.626 55.300 -0.039 0.000 1.104 176 M CB -0.897 31.680 32.600 -0.039 0.000 1.409 176 M HN -0.186 nan 8.290 nan 0.000 0.467 177 c N 1.087 119.652 118.600 -0.058 0.000 2.637 177 c HA 0.074 4.645 4.570 0.003 0.000 0.418 177 c C 2.049 176.102 174.090 -0.061 0.000 1.319 177 c CA -0.769 55.519 56.329 -0.069 0.000 1.949 177 c CB 0.535 42.988 42.510 -0.095 0.000 2.639 177 c HN 0.526 nan 8.230 nan 0.000 0.594 178 K N 3.099 123.463 120.400 -0.060 0.000 2.034 178 K HA -0.098 4.223 4.320 0.003 0.000 0.214 178 K C 1.212 177.778 176.600 -0.057 0.000 1.051 178 K CA 2.211 58.466 56.287 -0.053 0.000 0.931 178 K CB -0.627 31.842 32.500 -0.051 0.000 0.715 178 K HN 0.869 nan 8.250 nan 0.000 0.446 179 G N -1.325 107.431 108.800 -0.074 0.000 2.773 179 G HA2 0.263 4.225 3.960 0.003 0.000 0.186 179 G HA3 0.263 4.225 3.960 0.003 0.000 0.186 179 G C -0.712 174.142 174.900 -0.076 0.000 1.411 179 G CA -0.055 45.001 45.100 -0.073 0.000 1.054 179 G HN 0.333 nan 8.290 nan 0.000 0.579 180 S N -0.405 115.248 115.700 -0.079 0.000 2.460 180 S HA 0.498 4.970 4.470 0.003 0.000 0.211 180 S C -0.040 174.495 174.600 -0.107 0.000 1.312 180 S CA -0.677 57.478 58.200 -0.076 0.000 1.256 180 S CB 0.034 63.206 63.200 -0.047 0.000 1.086 180 S HN 0.426 nan 8.310 nan 0.000 0.507 181 R N 1.201 121.609 120.500 -0.154 0.000 2.435 181 R HA 0.614 4.956 4.340 0.003 0.000 0.308 181 R C -0.775 175.345 176.300 -0.300 0.000 0.975 181 R CA -0.546 55.412 56.100 -0.237 0.000 0.867 181 R CB 1.251 31.396 30.300 -0.257 0.000 1.171 181 R HN 0.693 nan 8.270 nan 0.000 0.470 182 c N -0.714 117.671 118.600 -0.357 0.000 3.171 182 c HA 0.599 5.171 4.570 0.003 0.000 0.308 182 c C -0.077 173.745 174.090 -0.446 0.000 1.334 182 c CA -1.081 55.021 56.329 -0.379 0.000 1.473 182 c CB 0.861 43.164 42.510 -0.344 0.000 1.866 182 c HN 1.079 nan 8.230 nan 0.000 0.465 183 W N 1.651 122.840 121.300 -0.184 0.000 3.325 183 W HA 0.532 5.194 4.660 0.003 0.000 0.370 183 W C 1.144 177.596 176.519 -0.112 0.000 1.169 183 W CA 0.701 57.980 57.345 -0.109 0.000 1.874 183 W CB 0.344 29.745 29.460 -0.099 0.000 1.076 183 W HN 1.394 nan 8.180 nan 0.000 0.684 184 G N -0.579 108.096 108.800 -0.209 0.000 2.352 184 G HA2 -0.137 3.824 3.960 0.003 0.000 0.302 184 G HA3 -0.137 3.824 3.960 0.003 0.000 0.302 184 G C -0.018 174.515 174.900 -0.612 0.000 1.370 184 G CA -0.606 44.288 45.100 -0.342 0.000 0.918 184 G HN 0.004 nan 8.290 nan 0.000 0.610 185 E N -0.348 119.644 120.200 -0.346 0.000 2.038 185 E HA -0.093 4.259 4.350 0.003 0.000 0.195 185 E C 1.828 178.328 176.600 -0.167 0.000 1.000 185 E CA 1.344 57.619 56.400 -0.208 0.000 0.803 185 E CB -0.108 29.583 29.700 -0.015 0.000 0.750 185 E HN 0.617 nan 8.360 nan 0.000 0.448 186 S N -0.255 115.376 115.700 -0.115 0.000 2.566 186 S HA -0.049 4.422 4.470 0.003 0.000 0.280 186 S C 1.183 175.729 174.600 -0.089 0.000 1.343 186 S CA 0.395 58.544 58.200 -0.084 0.000 1.036 186 S CB 1.164 64.329 63.200 -0.058 0.000 0.866 186 S HN 0.292 nan 8.310 nan 0.000 0.526 187 S N 2.090 117.749 115.700 -0.067 0.000 2.522 187 S HA 0.047 4.519 4.470 0.003 0.000 0.227 187 S C 1.113 175.685 174.600 -0.047 0.000 0.986 187 S CA 0.213 58.377 58.200 -0.060 0.000 0.929 187 S CB -0.275 62.896 63.200 -0.048 0.000 0.769 187 S HN 0.797 nan 8.310 nan 0.000 0.529 188 E N 1.620 121.796 120.200 -0.040 0.000 2.427 188 E HA -0.013 4.339 4.350 0.003 0.000 0.196 188 E C 0.332 176.924 176.600 -0.012 0.000 1.028 188 E CA 0.491 56.875 56.400 -0.027 0.000 0.864 188 E CB -0.221 29.462 29.700 -0.029 0.000 0.813 188 E HN 0.617 nan 8.360 nan 0.000 0.514 189 D N 0.338 120.727 120.400 -0.018 0.000 2.325 189 D HA 0.022 4.664 4.640 0.003 0.000 0.225 189 D C -0.008 176.315 176.300 0.038 0.000 1.096 189 D CA 0.024 54.042 54.000 0.030 0.000 0.844 189 D CB -0.063 40.728 40.800 -0.016 0.000 0.925 189 D HN 0.050 nan 8.370 nan 0.000 0.513 190 c N 1.844 120.438 118.600 -0.011 0.000 2.629 190 c HA 0.102 4.674 4.570 0.003 0.000 0.410 190 c C 1.084 175.179 174.090 0.008 0.000 1.339 190 c CA -0.928 55.373 56.329 -0.048 0.000 1.810 190 c CB -0.620 41.855 42.510 -0.058 0.000 2.549 190 c HN 0.322 nan 8.230 nan 0.000 0.589 191 Q N 3.105 122.858 119.800 -0.079 0.000 2.247 191 Q HA 0.136 4.477 4.340 0.003 0.000 0.288 191 Q C 0.343 176.333 176.000 -0.017 0.000 1.079 191 Q CA 0.236 56.017 55.803 -0.036 0.000 0.932 191 Q CB 0.586 29.148 28.738 -0.294 0.000 1.133 191 Q HN 0.910 nan 8.270 nan 0.000 0.377 192 S N 4.885 120.609 115.700 0.040 0.000 2.489 192 S HA 0.406 4.877 4.470 0.003 0.000 0.277 192 S C -0.205 174.394 174.600 -0.002 0.000 1.230 192 S CA -0.867 57.338 58.200 0.008 0.000 1.053 192 S CB 0.606 63.814 63.200 0.014 0.000 0.955 192 S HN 0.603 nan 8.310 nan 0.000 0.488 193 L N 3.608 124.817 121.223 -0.023 0.000 2.312 193 L HA 0.439 4.781 4.340 0.003 0.000 0.281 193 L C 0.992 177.857 176.870 -0.009 0.000 1.070 193 L CA -0.370 54.453 54.840 -0.028 0.000 0.805 193 L CB 1.358 43.390 42.059 -0.044 0.000 1.174 193 L HN 0.859 nan 8.230 nan 0.000 0.434 194 T N -0.237 114.317 114.554 0.000 0.000 2.992 194 T HA 0.116 4.468 4.350 0.003 0.000 0.255 194 T C 1.533 176.242 174.700 0.014 0.000 0.938 194 T CA -0.055 62.052 62.100 0.012 0.000 0.895 194 T CB 0.408 69.290 68.868 0.023 0.000 1.221 194 T HN 0.487 nan 8.240 nan 0.000 0.512 195 R N 1.028 121.536 120.500 0.013 0.000 2.191 195 R HA 0.053 4.395 4.340 0.003 0.000 0.196 195 R C 2.300 178.602 176.300 0.003 0.000 0.991 195 R CA 1.329 57.437 56.100 0.012 0.000 1.075 195 R CB 0.150 30.465 30.300 0.024 0.000 1.040 195 R HN 0.351 nan 8.270 nan 0.000 0.526 196 T N -2.421 112.133 114.554 -0.000 0.000 3.088 196 T HA 0.039 4.391 4.350 0.003 0.000 0.259 196 T C 1.273 175.968 174.700 -0.008 0.000 1.122 196 T CA 0.297 62.395 62.100 -0.004 0.000 1.095 196 T CB 0.602 69.465 68.868 -0.008 0.000 0.930 196 T HN 0.005 nan 8.240 nan 0.000 0.508 197 V N 1.212 121.120 119.914 -0.009 0.000 3.177 197 V HA 0.359 4.480 4.120 0.003 0.000 0.342 197 V C 0.078 176.168 176.094 -0.006 0.000 1.379 197 V CA -0.822 61.471 62.300 -0.010 0.000 1.191 197 V CB -1.354 30.460 31.823 -0.015 0.000 1.167 197 V HN 0.631 nan 8.190 nan 0.000 0.471 198 c N 1.438 120.036 118.600 -0.004 0.000 2.364 198 c HA 0.764 5.336 4.570 0.003 0.000 0.356 198 c C 0.925 175.014 174.090 -0.003 0.000 1.201 198 c CA -0.811 55.517 56.329 -0.002 0.000 2.227 198 c CB 0.986 43.495 42.510 -0.001 0.000 2.387 198 c HN 0.596 nan 8.230 nan 0.000 0.546 199 A N 2.529 125.348 122.820 -0.001 0.000 2.350 199 A HA 0.603 4.925 4.320 0.003 0.000 0.293 199 A C 0.753 178.336 177.584 -0.001 0.000 1.231 199 A CA 0.784 52.821 52.037 -0.001 0.000 0.883 199 A CB -0.901 18.099 19.000 -0.000 0.000 1.133 199 A HN 2.200 nan 8.150 nan 0.000 0.533 200 G N 1.825 110.624 108.800 -0.002 0.000 2.782 200 G HA2 0.155 4.117 3.960 0.003 0.000 0.228 200 G HA3 0.155 4.117 3.960 0.003 0.000 0.228 200 G C 0.807 175.704 174.900 -0.005 0.000 1.372 200 G CA -0.074 45.024 45.100 -0.003 0.000 0.862 200 G HN 1.863 nan 8.290 nan 0.000 0.547 201 G N -0.862 107.935 108.800 -0.006 0.000 3.229 201 G HA2 0.276 4.238 3.960 0.003 0.000 0.214 201 G HA3 0.276 4.238 3.960 0.003 0.000 0.214 201 G C 0.992 175.884 174.900 -0.013 0.000 1.256 201 G CA 1.018 46.112 45.100 -0.009 0.000 1.042 201 G HN 1.106 nan 8.290 nan 0.000 0.497 202 c N 0.162 118.756 118.600 -0.010 0.000 2.611 202 c HA 0.342 4.914 4.570 0.003 0.000 0.416 202 c C 2.248 176.330 174.090 -0.014 0.000 1.366 202 c CA 0.202 56.525 56.329 -0.010 0.000 1.761 202 c CB 0.296 42.804 42.510 -0.003 0.000 2.619 202 c HN 0.660 nan 8.230 nan 0.000 0.606 203 A N 5.431 128.241 122.820 -0.016 0.000 1.825 203 A HA 0.043 4.365 4.320 0.003 0.000 0.214 203 A C 1.084 178.667 177.584 -0.002 0.000 1.206 203 A CA 1.390 53.414 52.037 -0.022 0.000 0.609 203 A CB -0.008 18.985 19.000 -0.011 0.000 0.851 203 A HN 0.826 nan 8.150 nan 0.000 0.445 204 R N -1.531 118.978 120.500 0.016 0.000 2.686 204 R HA 0.510 4.851 4.340 0.003 0.000 0.283 204 R C -1.147 175.167 176.300 0.024 0.000 0.978 204 R CA -0.012 56.104 56.100 0.027 0.000 0.897 204 R CB 1.255 31.583 30.300 0.046 0.000 1.192 204 R HN 0.732 nan 8.270 nan 0.000 0.457 205 c N -0.472 118.140 118.600 0.020 0.000 3.171 205 c HA 0.535 5.106 4.570 0.003 0.000 0.308 205 c C 1.036 175.135 174.090 0.016 0.000 1.334 205 c CA -0.974 55.366 56.329 0.017 0.000 1.473 205 c CB 2.121 44.638 42.510 0.010 0.000 1.866 205 c HN 0.996 nan 8.230 nan 0.000 0.465 206 K N 0.956 121.364 120.400 0.014 0.000 2.374 206 K HA 0.550 4.871 4.320 0.003 0.000 0.196 206 K C 0.526 177.128 176.600 0.004 0.000 1.023 206 K CA 0.767 57.060 56.287 0.010 0.000 1.103 206 K CB 0.400 32.906 32.500 0.011 0.000 0.848 206 K HN 1.381 nan 8.250 nan 0.000 0.528 207 G N 1.102 109.904 108.800 0.004 0.000 2.466 207 G HA2 0.193 4.154 3.960 0.003 0.000 0.291 207 G HA3 0.193 4.154 3.960 0.003 0.000 0.291 207 G C -2.738 172.162 174.900 -0.001 0.000 1.460 207 G CA -1.032 44.068 45.100 -0.000 0.000 0.791 207 G HN -0.222 nan 8.290 nan 0.000 0.505 208 P HA -0.009 nan 4.420 nan 0.000 0.222 208 P C 0.843 178.142 177.300 -0.002 0.000 1.147 208 P CA 0.536 63.634 63.100 -0.004 0.000 0.790 208 P CB 0.322 32.019 31.700 -0.006 0.000 0.780 209 L N 0.272 121.495 121.223 -0.000 0.000 2.417 209 L HA 0.149 4.490 4.340 0.003 0.000 0.268 209 L C -0.996 175.875 176.870 0.003 0.000 1.158 209 L CA -1.926 52.914 54.840 0.001 0.000 0.819 209 L CB 0.178 42.238 42.059 0.001 0.000 1.112 209 L HN -0.221 nan 8.230 nan 0.000 0.458 210 P HA -0.156 nan 4.420 nan 0.000 0.215 210 P C 1.351 178.656 177.300 0.007 0.000 1.153 210 P CA 1.250 64.353 63.100 0.004 0.000 0.853 210 P CB -0.002 31.700 31.700 0.004 0.000 0.788 211 T N -4.660 109.898 114.554 0.007 0.000 3.163 211 T HA -0.038 4.313 4.350 0.003 0.000 0.260 211 T C 0.792 175.499 174.700 0.011 0.000 1.156 211 T CA 0.738 62.844 62.100 0.010 0.000 1.072 211 T CB -0.843 68.029 68.868 0.007 0.000 0.937 211 T HN -0.025 nan 8.240 nan 0.000 0.528 212 D N 0.240 120.646 120.400 0.010 0.000 2.339 212 D HA 0.221 4.862 4.640 0.003 0.000 0.217 212 D C 0.303 176.612 176.300 0.016 0.000 1.050 212 D CA -0.372 53.634 54.000 0.011 0.000 0.856 212 D CB -0.395 40.409 40.800 0.007 0.000 0.922 212 D HN 0.427 nan 8.370 nan 0.000 0.518 213 c N 1.145 119.755 118.600 0.017 0.000 2.662 213 c HA 0.160 4.732 4.570 0.003 0.000 0.420 213 c C 1.238 175.348 174.090 0.034 0.000 1.314 213 c CA -0.777 55.564 56.329 0.020 0.000 1.963 213 c CB -0.128 42.390 42.510 0.014 0.000 2.686 213 c HN 0.366 nan 8.230 nan 0.000 0.609 214 c N 3.487 122.112 118.600 0.041 0.000 2.580 214 c HA 0.193 4.764 4.570 0.003 0.000 0.371 214 c C 0.921 175.066 174.090 0.092 0.000 1.308 214 c CA -0.381 55.990 56.329 0.070 0.000 2.428 214 c CB -0.240 42.310 42.510 0.067 0.000 2.529 214 c HN 0.843 nan 8.230 nan 0.000 0.657 215 H N 1.098 120.194 119.070 0.045 0.000 2.790 215 H HA -0.014 4.543 4.556 0.003 0.000 0.358 215 H C 1.120 176.493 175.328 0.074 0.000 1.103 215 H CA 0.721 56.808 56.048 0.065 0.000 1.426 215 H CB 0.519 30.339 29.762 0.096 0.000 1.424 215 H HN 0.847 nan 8.280 nan 0.000 0.599 216 E N 1.967 121.836 120.200 -0.551 0.000 2.219 216 E HA -0.198 4.153 4.350 0.003 0.000 0.198 216 E C 0.940 177.513 176.600 -0.045 0.000 0.998 216 E CA 0.970 57.205 56.400 -0.275 0.000 0.818 216 E CB 0.320 29.824 29.700 -0.326 0.000 0.741 216 E HN 0.598 nan 8.360 nan 0.000 0.477 217 Q N -0.456 119.434 119.800 0.150 0.000 2.360 217 Q HA 0.063 4.404 4.340 0.003 0.000 0.202 217 Q C 0.328 176.442 176.000 0.190 0.000 0.915 217 Q CA 0.080 56.042 55.803 0.265 0.000 0.943 217 Q CB 0.243 29.221 28.738 0.400 0.000 1.064 217 Q HN 0.261 nan 8.270 nan 0.000 0.511 218 c N 0.135 118.845 118.600 0.184 0.000 2.604 218 c HA 0.498 5.070 4.570 0.003 0.000 0.396 218 c C 1.717 175.846 174.090 0.066 0.000 1.282 218 c CA 0.044 56.445 56.329 0.120 0.000 2.292 218 c CB 0.859 43.444 42.510 0.126 0.000 2.633 218 c HN 0.521 nan 8.230 nan 0.000 0.620 219 A N 1.580 124.424 122.820 0.040 0.000 2.011 219 A HA 0.488 4.809 4.320 0.003 0.000 0.204 219 A C 1.852 179.463 177.584 0.046 0.000 1.520 219 A CA 0.892 52.940 52.037 0.019 0.000 0.819 219 A CB -0.920 18.056 19.000 -0.039 0.000 1.087 219 A HN 0.919 nan 8.150 nan 0.000 0.526 220 A N -1.312 121.529 122.820 0.035 0.000 1.997 220 A HA 0.542 4.864 4.320 0.003 0.000 0.212 220 A C 1.195 178.805 177.584 0.043 0.000 1.178 220 A CA 1.498 53.559 52.037 0.042 0.000 0.698 220 A CB -0.230 18.785 19.000 0.024 0.000 0.842 220 A HN 1.729 nan 8.150 nan 0.000 0.458 221 G N -2.532 106.292 108.800 0.040 0.000 2.323 221 G HA2 0.443 4.405 3.960 0.003 0.000 0.291 221 G HA3 0.443 4.405 3.960 0.003 0.000 0.291 221 G C -0.755 174.168 174.900 0.039 0.000 1.278 221 G CA 0.084 45.206 45.100 0.037 0.000 0.860 221 G HN 1.434 nan 8.290 nan 0.000 0.504 222 c N -2.894 115.726 118.600 0.034 0.000 3.293 222 c HA 0.907 5.479 4.570 0.003 0.000 0.362 222 c C 0.569 174.672 174.090 0.022 0.000 1.539 222 c CA 0.221 56.570 56.329 0.034 0.000 1.201 222 c CB 1.191 43.730 42.510 0.049 0.000 1.770 222 c HN 1.787 nan 8.230 nan 0.000 0.440 223 T N -1.873 112.692 114.554 0.019 0.000 3.533 223 T HA 0.667 5.019 4.350 0.003 0.000 0.275 223 T C 0.149 174.854 174.700 0.008 0.000 1.000 223 T CA 0.515 62.622 62.100 0.011 0.000 1.015 223 T CB -0.328 68.543 68.868 0.006 0.000 1.153 223 T HN 2.671 nan 8.240 nan 0.000 0.504 224 G N 2.158 110.966 108.800 0.014 0.000 2.352 224 G HA2 0.381 4.342 3.960 0.003 0.000 0.305 224 G HA3 0.381 4.342 3.960 0.003 0.000 0.305 224 G C -2.828 172.084 174.900 0.020 0.000 1.537 224 G CA -0.722 44.384 45.100 0.009 0.000 0.959 224 G HN -0.140 nan 8.290 nan 0.000 0.668 225 P HA 0.061 nan 4.420 nan 0.000 0.237 225 P C 0.536 177.861 177.300 0.041 0.000 1.178 225 P CA 0.534 63.660 63.100 0.043 0.000 0.766 225 P CB 0.232 31.952 31.700 0.032 0.000 0.876 226 K N 0.413 120.788 120.400 -0.042 0.000 2.168 226 K HA 0.051 4.372 4.320 0.003 0.000 0.258 226 K C 1.660 178.141 176.600 -0.198 0.000 1.010 226 K CA -0.262 55.908 56.287 -0.196 0.000 0.929 226 K CB 0.117 32.488 32.500 -0.215 0.000 0.998 226 K HN 0.282 nan 8.250 nan 0.000 0.479 227 H N -0.534 118.329 119.070 -0.344 0.000 2.556 227 H HA 0.012 4.569 4.556 0.003 0.000 0.268 227 H C 0.363 175.617 175.328 -0.124 0.000 0.996 227 H CA 0.593 56.426 56.048 -0.357 0.000 1.157 227 H CB 0.173 29.517 29.762 -0.697 0.000 1.355 227 H HN 0.474 nan 8.280 nan 0.000 0.597 228 S N -0.139 115.557 115.700 -0.006 0.000 2.540 228 S HA 0.044 4.515 4.470 0.003 0.000 0.218 228 S C 0.249 174.856 174.600 0.012 0.000 0.977 228 S CA -0.366 57.857 58.200 0.038 0.000 0.918 228 S CB 0.329 63.529 63.200 0.001 0.000 0.806 228 S HN 0.205 nan 8.310 nan 0.000 0.496 229 D N 1.030 121.434 120.400 0.006 0.000 2.479 229 D HA 0.299 4.941 4.640 0.003 0.000 0.218 229 D C -0.163 176.157 176.300 0.033 0.000 1.177 229 D CA -0.346 53.661 54.000 0.012 0.000 0.830 229 D CB 0.109 40.910 40.800 0.000 0.000 1.014 229 D HN 0.334 nan 8.370 nan 0.000 0.503 230 c N 0.782 119.412 118.600 0.050 0.000 2.657 230 c HA 0.210 4.782 4.570 0.003 0.000 0.404 230 c C 2.313 176.427 174.090 0.039 0.000 1.291 230 c CA -0.497 55.867 56.329 0.059 0.000 2.218 230 c CB 0.402 42.958 42.510 0.078 0.000 2.687 230 c HN 0.294 nan 8.230 nan 0.000 0.634 231 L N 1.596 122.840 121.223 0.034 0.000 2.270 231 L HA 0.176 4.517 4.340 0.003 0.000 0.210 231 L C 1.085 177.965 176.870 0.017 0.000 1.104 231 L CA 0.885 55.737 54.840 0.021 0.000 0.804 231 L CB -0.393 41.675 42.059 0.016 0.000 0.937 231 L HN 0.851 nan 8.230 nan 0.000 0.450 232 A N -1.795 121.038 122.820 0.021 0.000 2.606 232 A HA 0.486 4.807 4.320 0.003 0.000 0.293 232 A C -1.395 176.197 177.584 0.013 0.000 1.082 232 A CA -0.589 51.454 52.037 0.009 0.000 0.685 232 A CB 0.970 19.964 19.000 -0.009 0.000 1.284 232 A HN -0.039 nan 8.150 nan 0.000 0.408 233 c N 1.376 119.977 118.600 0.001 0.000 2.415 233 c HA 0.343 4.914 4.570 0.003 0.000 0.369 233 c C 2.118 176.162 174.090 -0.077 0.000 1.279 233 c CA -0.018 56.312 56.329 0.002 0.000 1.886 233 c CB -0.479 42.047 42.510 0.026 0.000 2.468 233 c HN 0.884 nan 8.230 nan 0.000 0.553 234 L N 2.383 123.547 121.223 -0.097 0.000 2.083 234 L HA -0.126 4.216 4.340 0.003 0.000 0.209 234 L C 1.738 178.306 176.870 -0.504 0.000 1.083 234 L CA 2.011 56.679 54.840 -0.286 0.000 0.752 234 L CB -0.169 41.721 42.059 -0.282 0.000 0.899 234 L HN 0.868 nan 8.230 nan 0.000 0.433 235 H N -3.218 115.767 119.070 -0.141 0.000 2.302 235 H HA 0.315 4.872 4.556 0.003 0.000 0.252 235 H C -0.684 174.287 175.328 -0.595 0.000 1.017 235 H CA -0.125 55.729 56.048 -0.322 0.000 1.404 235 H CB 0.498 30.200 29.762 -0.100 0.000 1.394 235 H HN -0.059 nan 8.280 nan 0.000 0.560 236 F N 0.674 120.714 119.950 0.148 0.000 2.569 236 F HA 0.251 4.780 4.527 0.002 0.000 0.312 236 F C -0.397 175.463 175.800 0.100 0.000 1.109 236 F CA -1.148 56.916 58.000 0.107 0.000 0.919 236 F CB 1.428 40.490 39.000 0.103 0.000 1.211 236 F HN 0.039 nan 8.300 nan 0.000 0.446 237 N N 2.057 120.920 118.700 0.272 0.000 2.719 237 N HA -0.018 4.723 4.740 0.003 0.000 0.243 237 N C -0.597 175.049 175.510 0.228 0.000 1.104 237 N CA 0.006 53.172 53.050 0.195 0.000 0.981 237 N CB -0.123 38.441 38.487 0.129 0.000 1.290 237 N HN 0.628 nan 8.380 nan 0.000 0.513 238 H N 2.970 122.106 119.070 0.109 0.000 2.982 238 H HA 0.076 4.634 4.556 0.002 0.000 0.261 238 H C -0.379 174.983 175.328 0.056 0.000 1.603 238 H CA 0.046 56.138 56.048 0.074 0.000 1.398 238 H CB -0.149 29.638 29.762 0.042 0.000 1.693 238 H HN 0.488 nan 8.280 nan 0.000 0.535 239 S N 2.982 118.630 115.700 -0.087 0.000 3.628 239 S HA -0.217 4.254 4.470 0.003 0.000 0.373 239 S C 1.349 175.901 174.600 -0.080 0.000 0.968 239 S CA 0.893 59.019 58.200 -0.124 0.000 1.215 239 S CB -1.516 61.535 63.200 -0.250 0.000 0.912 239 S HN 1.188 nan 8.310 nan 0.000 0.495 240 G N -0.947 107.847 108.800 -0.009 0.000 2.258 240 G HA2 -0.283 3.678 3.960 0.003 0.000 0.233 240 G HA3 -0.283 3.678 3.960 0.003 0.000 0.233 240 G C -0.001 174.926 174.900 0.045 0.000 1.006 240 G CA 0.024 45.133 45.100 0.016 0.000 0.620 240 G HN 0.707 nan 8.290 nan 0.000 0.511 241 I N 1.958 122.552 120.570 0.040 0.000 2.365 241 I HA 0.455 4.627 4.170 0.003 0.000 0.291 241 I C 0.775 176.933 176.117 0.068 0.000 1.004 241 I CA -0.672 60.672 61.300 0.073 0.000 1.311 241 I CB 1.437 39.456 38.000 0.033 0.000 1.401 241 I HN 0.186 nan 8.210 nan 0.000 0.491 242 c N 5.410 124.044 118.600 0.057 0.000 2.369 242 c HA 0.510 5.081 4.570 0.003 0.000 0.358 242 c C 0.396 174.517 174.090 0.050 0.000 1.274 242 c CA -0.413 55.970 56.329 0.090 0.000 1.935 242 c CB -0.649 41.938 42.510 0.127 0.000 2.431 242 c HN 0.714 nan 8.230 nan 0.000 0.545 243 E N 0.626 120.902 120.200 0.127 0.000 2.393 243 E HA 0.274 4.625 4.350 0.003 0.000 0.273 243 E C 0.125 176.824 176.600 0.166 0.000 0.918 243 E CA -0.774 55.686 56.400 0.099 0.000 0.773 243 E CB 1.559 31.289 29.700 0.050 0.000 1.275 243 E HN 0.462 nan 8.360 nan 0.000 0.451 244 L N 1.643 122.879 121.223 0.022 0.000 2.072 244 L HA 0.023 4.364 4.340 0.003 0.000 0.205 244 L C 0.165 176.838 176.870 -0.329 0.000 1.079 244 L CA 1.969 56.676 54.840 -0.222 0.000 0.752 244 L CB -0.098 41.721 42.059 -0.400 0.000 0.906 244 L HN 0.467 nan 8.230 nan 0.000 0.436 245 H N -2.800 116.285 119.070 0.025 0.000 2.907 245 H HA 0.366 4.924 4.556 0.002 0.000 0.361 245 H C -0.692 174.487 175.328 -0.247 0.000 1.194 245 H CA -1.106 54.853 56.048 -0.150 0.000 1.152 245 H CB 0.887 30.559 29.762 -0.151 0.000 1.867 245 H HN -0.075 nan 8.280 nan 0.000 0.561 246 c N 3.322 121.754 118.600 -0.279 0.000 2.463 246 c HA 0.239 4.810 4.570 0.003 0.000 0.380 246 c C -1.711 172.228 174.090 -0.251 0.000 1.264 246 c CA -1.113 55.041 56.329 -0.292 0.000 2.161 246 c CB 0.232 42.550 42.510 -0.320 0.000 2.515 246 c HN 0.502 nan 8.230 nan 0.000 0.565 247 P HA 0.126 nan 4.420 nan 0.000 0.260 247 P C -0.223 176.959 177.300 -0.197 0.000 1.185 247 P CA 0.577 63.535 63.100 -0.236 0.000 0.763 247 P CB 0.144 31.681 31.700 -0.272 0.000 0.776 248 A N 4.088 126.811 122.820 -0.161 0.000 2.483 248 A HA 0.061 4.383 4.320 0.003 0.000 0.238 248 A C 1.683 179.173 177.584 -0.156 0.000 1.070 248 A CA -0.282 51.658 52.037 -0.162 0.000 0.770 248 A CB -0.253 18.670 19.000 -0.129 0.000 1.008 248 A HN 0.618 nan 8.150 nan 0.000 0.497 249 L N 1.581 122.692 121.223 -0.188 0.000 2.131 249 L HA -0.053 4.289 4.340 0.003 0.000 0.210 249 L C 0.659 177.469 176.870 -0.100 0.000 1.092 249 L CA 1.013 55.742 54.840 -0.185 0.000 0.759 249 L CB -0.425 41.499 42.059 -0.226 0.000 0.903 249 L HN 0.477 nan 8.230 nan 0.000 0.435 250 V N -0.725 119.146 119.914 -0.072 0.000 2.638 250 V HA 0.355 4.477 4.120 0.003 0.000 0.306 250 V C -0.623 175.465 176.094 -0.010 0.000 1.052 250 V CA -0.378 61.904 62.300 -0.031 0.000 0.885 250 V CB 2.259 34.075 31.823 -0.012 0.000 0.999 250 V HN -0.022 nan 8.190 nan 0.000 0.424 251 T N 5.937 120.493 114.554 0.002 0.000 2.797 251 T HA 0.391 4.743 4.350 0.003 0.000 0.279 251 T C -0.993 173.746 174.700 0.066 0.000 0.991 251 T CA -0.063 62.052 62.100 0.025 0.000 0.979 251 T CB 0.957 69.823 68.868 -0.004 0.000 0.943 251 T HN 0.562 nan 8.240 nan 0.000 0.444 252 Y N 4.003 124.289 120.300 -0.023 0.000 2.402 252 Y HA 0.291 4.842 4.550 0.002 0.000 0.333 252 Y C 0.408 176.292 175.900 -0.026 0.000 1.076 252 Y CA -0.605 57.487 58.100 -0.013 0.000 1.299 252 Y CB 0.378 38.839 38.460 0.002 0.000 1.197 252 Y HN 0.476 nan 8.280 nan 0.000 0.517 253 N N 3.531 121.924 118.700 -0.512 0.000 2.426 253 N HA 0.075 4.816 4.740 0.003 0.000 0.257 253 N C 0.632 175.739 175.510 -0.672 0.000 1.002 253 N CA 0.219 53.004 53.050 -0.443 0.000 0.942 253 N CB 1.318 39.609 38.487 -0.326 0.000 1.112 253 N HN 0.829 nan 8.380 nan 0.000 0.499 254 T N -0.592 113.733 114.554 -0.382 0.000 2.995 254 T HA -0.023 4.328 4.350 0.003 0.000 0.269 254 T C 0.613 174.948 174.700 -0.609 0.000 1.091 254 T CA 0.876 62.789 62.100 -0.312 0.000 1.128 254 T CB 0.151 68.987 68.868 -0.053 0.000 0.891 254 T HN 0.383 nan 8.240 nan 0.000 0.492 255 D N 1.194 121.280 120.400 -0.524 0.000 2.325 255 D HA 0.116 4.758 4.640 0.003 0.000 0.225 255 D C 1.475 177.410 176.300 -0.609 0.000 1.096 255 D CA 0.704 54.398 54.000 -0.510 0.000 0.844 255 D CB 0.572 41.214 40.800 -0.264 0.000 0.925 255 D HN 0.619 nan 8.370 nan 0.000 0.513 256 T N -2.671 111.383 114.554 -0.832 0.000 3.524 256 T HA -0.012 4.339 4.350 0.003 0.000 0.300 256 T C 0.185 174.658 174.700 -0.379 0.000 0.872 256 T CA -0.226 61.568 62.100 -0.510 0.000 0.888 256 T CB -0.662 68.047 68.868 -0.265 0.000 1.216 256 T HN -0.084 nan 8.240 nan 0.000 0.724 257 F N 1.271 121.059 119.950 -0.270 0.000 3.090 257 F HA -0.066 4.463 4.527 0.002 0.000 0.282 257 F C 0.203 175.869 175.800 -0.222 0.000 0.923 257 F CA 0.933 58.775 58.000 -0.264 0.000 0.977 257 F CB -2.372 36.625 39.000 -0.005 0.000 0.954 257 F HN 0.490 nan 8.300 nan 0.000 0.695 258 E N -1.459 118.573 120.200 -0.281 0.000 2.408 258 E HA 0.601 4.953 4.350 0.003 0.000 0.275 258 E C -0.664 175.845 176.600 -0.151 0.000 0.935 258 E CA -0.914 55.426 56.400 -0.100 0.000 0.775 258 E CB 1.878 31.562 29.700 -0.026 0.000 1.277 258 E HN -0.037 nan 8.360 nan 0.000 0.455 259 S N 2.281 117.993 115.700 0.021 0.000 2.835 259 S HA 0.200 4.671 4.470 0.003 0.000 0.286 259 S C -0.400 174.204 174.600 0.006 0.000 1.194 259 S CA -0.642 57.587 58.200 0.048 0.000 1.031 259 S CB -0.516 62.765 63.200 0.134 0.000 1.216 259 S HN 0.300 nan 8.310 nan 0.000 0.502 260 M N 2.297 121.878 119.600 -0.031 0.000 2.185 260 M HA 0.424 4.906 4.480 0.003 0.000 0.357 260 M C -2.611 173.678 176.300 -0.018 0.000 1.260 260 M CA -2.334 52.950 55.300 -0.026 0.000 1.124 260 M CB -0.827 31.748 32.600 -0.041 0.000 1.600 260 M HN 0.058 nan 8.290 nan 0.000 0.467 261 P HA -0.057 nan 4.420 nan 0.000 0.265 261 P C -0.733 176.552 177.300 -0.024 0.000 1.187 261 P CA 0.105 63.194 63.100 -0.017 0.000 0.766 261 P CB 0.301 31.995 31.700 -0.010 0.000 0.820 262 N N 4.176 122.855 118.700 -0.035 0.000 2.442 262 N HA 0.072 4.814 4.740 0.003 0.000 0.265 262 N C -1.192 174.301 175.510 -0.028 0.000 1.138 262 N CA -2.140 50.889 53.050 -0.035 0.000 0.956 262 N CB 0.154 38.611 38.487 -0.050 0.000 1.067 262 N HN 0.238 nan 8.380 nan 0.000 0.474 263 P HA -0.090 nan 4.420 nan 0.000 0.222 263 P C 0.052 177.354 177.300 0.004 0.000 1.147 263 P CA 1.045 64.144 63.100 -0.002 0.000 0.790 263 P CB 0.494 32.195 31.700 0.003 0.000 0.780 264 E N -0.000 120.198 120.200 -0.003 0.000 2.489 264 E HA 0.118 4.470 4.350 0.003 0.000 0.193 264 E C 1.338 177.923 176.600 -0.026 0.000 1.057 264 E CA -0.006 56.400 56.400 0.010 0.000 0.866 264 E CB -0.721 28.985 29.700 0.010 0.000 0.916 264 E HN 0.191 nan 8.360 nan 0.000 0.500 265 G N 1.830 110.594 108.800 -0.060 0.000 2.321 265 G HA2 0.091 4.053 3.960 0.003 0.000 0.237 265 G HA3 0.091 4.053 3.960 0.003 0.000 0.237 265 G C 0.221 175.034 174.900 -0.144 0.000 1.282 265 G CA -0.140 44.882 45.100 -0.129 0.000 0.886 265 G HN -0.097 nan 8.290 nan 0.000 0.528 266 R N 0.588 120.954 120.500 -0.223 0.000 2.836 266 R HA 0.391 4.732 4.340 0.003 0.000 0.269 266 R C -1.441 174.668 176.300 -0.319 0.000 1.010 266 R CA -0.927 55.075 56.100 -0.164 0.000 0.930 266 R CB 1.527 31.796 30.300 -0.052 0.000 1.218 266 R HN 0.585 nan 8.270 nan 0.000 0.473 267 Y N -0.383 119.919 120.300 0.003 0.000 2.409 267 Y HA 0.247 4.798 4.550 0.003 0.000 0.339 267 Y C 0.761 176.682 175.900 0.035 0.000 1.033 267 Y CA -0.585 57.523 58.100 0.012 0.000 1.094 267 Y CB 1.973 40.452 38.460 0.032 0.000 1.210 267 Y HN 0.490 nan 8.280 nan 0.000 0.456 268 T N 0.684 115.344 114.554 0.176 0.000 2.739 268 T HA 0.334 4.686 4.350 0.003 0.000 0.298 268 T C -0.966 173.937 174.700 0.338 0.000 0.929 268 T CA -0.373 61.819 62.100 0.152 0.000 1.014 268 T CB -0.314 68.552 68.868 -0.003 0.000 0.914 268 T HN 0.375 nan 8.240 nan 0.000 0.509 269 F N 4.105 124.158 119.950 0.173 0.000 2.402 269 F HA 0.588 5.116 4.527 0.002 0.000 0.355 269 F C 1.120 177.001 175.800 0.136 0.000 1.123 269 F CA -0.078 57.980 58.000 0.097 0.000 1.021 269 F CB 0.594 39.596 39.000 0.003 0.000 1.160 269 F HN 1.019 nan 8.300 nan 0.000 0.451 270 G N 4.516 113.095 108.800 -0.367 0.000 2.704 270 G HA2 -0.299 3.663 3.960 0.003 0.000 0.344 270 G HA3 -0.299 3.663 3.960 0.003 0.000 0.344 270 G C 0.529 175.397 174.900 -0.053 0.000 1.200 270 G CA 0.650 45.566 45.100 -0.306 0.000 0.962 270 G HN 1.698 nan 8.290 nan 0.000 0.552 271 A N -0.031 122.741 122.820 -0.079 0.000 2.749 271 A HA 0.716 5.037 4.320 0.003 0.000 0.299 271 A C 0.351 177.994 177.584 0.099 0.000 1.105 271 A CA 1.266 53.236 52.037 -0.111 0.000 0.987 271 A CB 0.013 18.891 19.000 -0.203 0.000 1.180 271 A HN 2.000 nan 8.150 nan 0.000 0.528 272 S N -1.309 114.565 115.700 0.290 0.000 2.548 272 S HA 0.539 5.011 4.470 0.003 0.000 0.276 272 S C -0.385 174.440 174.600 0.375 0.000 1.129 272 S CA -0.683 57.705 58.200 0.313 0.000 0.931 272 S CB 0.563 63.901 63.200 0.230 0.000 1.068 272 S HN 0.294 nan 8.310 nan 0.000 0.480 273 c N 2.025 120.815 118.600 0.316 0.000 2.605 273 c HA 0.824 5.395 4.570 0.003 0.000 0.404 273 c C 0.474 174.702 174.090 0.230 0.000 1.284 273 c CA -0.229 56.239 56.329 0.232 0.000 2.199 273 c CB 0.332 42.972 42.510 0.217 0.000 2.647 273 c HN 0.783 nan 8.230 nan 0.000 0.604 274 V N 2.343 122.382 119.914 0.208 0.000 3.048 274 V HA 0.293 4.415 4.120 0.003 0.000 0.303 274 V C 0.671 176.887 176.094 0.204 0.000 1.214 274 V CA -0.136 62.273 62.300 0.183 0.000 0.984 274 V CB 2.579 34.493 31.823 0.152 0.000 1.054 274 V HN 1.056 nan 8.190 nan 0.000 0.430 275 T N 2.626 117.271 114.554 0.152 0.000 2.732 275 T HA 0.213 4.564 4.350 0.003 0.000 0.261 275 T C 0.386 175.239 174.700 0.254 0.000 1.040 275 T CA 1.502 63.702 62.100 0.166 0.000 1.145 275 T CB 0.085 69.013 68.868 0.100 0.000 0.866 275 T HN 0.988 nan 8.240 nan 0.000 0.427 276 A N -0.543 122.348 122.820 0.118 0.000 2.515 276 A HA 0.594 4.916 4.320 0.003 0.000 0.296 276 A C -0.297 177.179 177.584 -0.180 0.000 1.094 276 A CA -0.870 51.155 52.037 -0.021 0.000 0.718 276 A CB 0.871 19.857 19.000 -0.024 0.000 1.307 276 A HN 0.412 nan 8.150 nan 0.000 0.408 277 c N 2.092 120.473 118.600 -0.365 0.000 2.679 277 c HA 0.421 4.992 4.570 0.003 0.000 0.417 277 c C -1.561 172.356 174.090 -0.288 0.000 1.302 277 c CA -0.159 55.960 56.329 -0.350 0.000 1.973 277 c CB -0.626 41.709 42.510 -0.292 0.000 2.715 277 c HN 0.700 nan 8.230 nan 0.000 0.628 278 P HA 0.078 nan 4.420 nan 0.000 0.275 278 P C 0.464 177.778 177.300 0.024 0.000 1.266 278 P CA -0.315 62.614 63.100 -0.284 0.000 0.793 278 P CB 0.239 31.584 31.700 -0.592 0.000 1.074 279 Y N 1.081 121.392 120.300 0.019 0.000 2.040 279 Y HA -0.308 4.244 4.550 0.003 0.000 0.275 279 Y C 1.708 177.682 175.900 0.123 0.000 1.171 279 Y CA 2.298 60.438 58.100 0.067 0.000 1.123 279 Y CB -0.669 37.830 38.460 0.065 0.000 0.963 279 Y HN 0.260 nan 8.280 nan 0.000 0.493 280 N N -0.626 118.137 118.700 0.104 0.000 2.383 280 N HA -0.008 4.734 4.740 0.003 0.000 0.192 280 N C -1.329 174.089 175.510 -0.154 0.000 1.141 280 N CA 0.074 53.033 53.050 -0.152 0.000 0.851 280 N CB -0.326 38.153 38.487 -0.013 0.000 0.976 280 N HN 0.258 nan 8.380 nan 0.000 0.465 281 Y N -0.377 119.859 120.300 -0.107 0.000 2.432 281 Y HA 0.477 5.028 4.550 0.003 0.000 0.322 281 Y C 0.233 176.087 175.900 -0.077 0.000 1.246 281 Y CA -0.677 57.396 58.100 -0.045 0.000 1.268 281 Y CB 1.043 39.494 38.460 -0.015 0.000 1.276 281 Y HN -0.200 nan 8.280 nan 0.000 0.499 282 L N 1.237 122.529 121.223 0.115 0.000 2.325 282 L HA 0.526 4.867 4.340 0.003 0.000 0.278 282 L C -0.487 176.404 176.870 0.035 0.000 1.023 282 L CA -0.639 54.229 54.840 0.047 0.000 0.811 282 L CB 1.648 43.740 42.059 0.055 0.000 1.249 282 L HN 0.585 nan 8.230 nan 0.000 0.431 283 S N 0.197 115.877 115.700 -0.033 0.000 2.457 283 S HA 0.605 5.076 4.470 0.003 0.000 0.289 283 S C -0.182 174.463 174.600 0.075 0.000 1.163 283 S CA -0.886 57.272 58.200 -0.070 0.000 1.078 283 S CB 0.988 64.023 63.200 -0.275 0.000 0.987 283 S HN 0.572 nan 8.310 nan 0.000 0.482 284 T N 1.628 116.275 114.554 0.154 0.000 2.934 284 T HA 0.301 4.652 4.350 0.003 0.000 0.283 284 T C 0.540 175.336 174.700 0.160 0.000 1.005 284 T CA -0.768 61.418 62.100 0.144 0.000 1.041 284 T CB 0.884 69.832 68.868 0.133 0.000 1.042 284 T HN 0.453 nan 8.240 nan 0.000 0.505 285 D N 0.640 121.104 120.400 0.107 0.000 2.123 285 D HA -0.095 4.547 4.640 0.003 0.000 0.196 285 D C 1.949 178.283 176.300 0.057 0.000 0.992 285 D CA 0.741 54.789 54.000 0.079 0.000 0.833 285 D CB -0.130 40.703 40.800 0.056 0.000 0.954 285 D HN 0.288 nan 8.370 nan 0.000 0.455 286 V N -0.242 119.706 119.914 0.057 0.000 3.444 286 V HA 0.077 4.198 4.120 0.003 0.000 0.271 286 V C 1.310 177.419 176.094 0.025 0.000 1.188 286 V CA 1.334 63.651 62.300 0.029 0.000 1.168 286 V CB -0.452 31.390 31.823 0.033 0.000 0.810 286 V HN 0.466 nan 8.190 nan 0.000 0.500 287 G N 0.408 109.249 108.800 0.069 0.000 2.141 287 G HA2 -0.229 3.733 3.960 0.003 0.000 0.231 287 G HA3 -0.229 3.733 3.960 0.003 0.000 0.231 287 G C 0.254 175.266 174.900 0.188 0.000 0.984 287 G CA 0.532 45.652 45.100 0.033 0.000 0.660 287 G HN 1.174 nan 8.290 nan 0.000 0.525 288 S N -1.568 114.282 115.700 0.250 0.000 2.704 288 S HA 0.748 5.220 4.470 0.003 0.000 0.305 288 S C -0.023 174.742 174.600 0.276 0.000 1.107 288 S CA -0.456 57.901 58.200 0.263 0.000 0.993 288 S CB 2.481 65.792 63.200 0.186 0.000 1.110 288 S HN 0.803 nan 8.310 nan 0.000 0.534 289 c N 2.384 121.142 118.600 0.262 0.000 2.264 289 c HA 0.844 5.415 4.570 0.003 0.000 0.324 289 c C 0.758 175.066 174.090 0.364 0.000 1.267 289 c CA -0.417 56.056 56.329 0.239 0.000 1.618 289 c CB -0.344 42.281 42.510 0.193 0.000 2.278 289 c HN 1.034 nan 8.230 nan 0.000 0.499 290 T N 0.478 115.224 114.554 0.320 0.000 2.907 290 T HA 0.602 4.954 4.350 0.003 0.000 0.290 290 T C 0.305 175.119 174.700 0.190 0.000 1.066 290 T CA -0.736 61.538 62.100 0.289 0.000 1.012 290 T CB 0.994 69.970 68.868 0.181 0.000 1.184 290 T HN 0.393 nan 8.240 nan 0.000 0.522 291 L N 0.293 121.564 121.223 0.080 0.000 2.607 291 L HA 0.431 4.772 4.340 0.003 0.000 0.228 291 L C -0.408 176.477 176.870 0.025 0.000 1.123 291 L CA -0.069 54.733 54.840 -0.064 0.000 0.890 291 L CB 0.617 42.598 42.059 -0.131 0.000 1.103 291 L HN 0.417 nan 8.230 nan 0.000 0.468 292 V N -1.345 118.615 119.914 0.077 0.000 2.932 292 V HA 0.233 4.354 4.120 0.003 0.000 0.307 292 V C -0.426 175.730 176.094 0.103 0.000 1.147 292 V CA -1.031 61.332 62.300 0.104 0.000 0.951 292 V CB 2.308 34.193 31.823 0.104 0.000 1.031 292 V HN -0.010 nan 8.190 nan 0.000 0.426 293 c N 5.905 124.569 118.600 0.106 0.000 2.605 293 c HA 0.455 5.027 4.570 0.003 0.000 0.404 293 c C -1.363 172.774 174.090 0.077 0.000 1.284 293 c CA -0.598 55.784 56.329 0.088 0.000 2.199 293 c CB 0.231 42.787 42.510 0.077 0.000 2.647 293 c HN 0.750 nan 8.230 nan 0.000 0.604 294 P HA 0.190 nan 4.420 nan 0.000 0.275 294 P C -0.374 176.969 177.300 0.072 0.000 1.270 294 P CA -0.466 62.677 63.100 0.071 0.000 0.791 294 P CB 0.375 32.118 31.700 0.072 0.000 1.089 295 L N 0.864 122.136 121.223 0.081 0.000 2.499 295 L HA -0.044 4.298 4.340 0.003 0.000 0.281 295 L C 1.401 178.381 176.870 0.182 0.000 1.234 295 L CA 0.793 55.695 54.840 0.103 0.000 0.839 295 L CB -0.782 41.357 42.059 0.135 0.000 1.104 295 L HN 0.516 nan 8.230 nan 0.000 0.500 296 H N -0.103 118.972 119.070 0.008 0.000 3.612 296 H HA -0.222 4.335 4.556 0.003 0.000 0.212 296 H C -0.116 175.216 175.328 0.007 0.000 1.041 296 H CA 1.181 57.233 56.048 0.006 0.000 1.205 296 H CB -0.922 28.844 29.762 0.008 0.000 1.159 296 H HN 0.656 nan 8.280 nan 0.000 0.323 297 N N 1.087 119.843 118.700 0.093 0.000 2.443 297 N HA 0.274 5.016 4.740 0.003 0.000 0.295 297 N C -0.206 175.318 175.510 0.023 0.000 1.076 297 N CA -0.207 52.881 53.050 0.063 0.000 0.919 297 N CB 1.650 40.180 38.487 0.071 0.000 1.176 297 N HN 0.307 nan 8.380 nan 0.000 0.487 298 Q N 0.772 120.589 119.800 0.028 0.000 2.353 298 Q HA 0.254 4.595 4.340 0.003 0.000 0.268 298 Q C -1.199 174.831 176.000 0.049 0.000 1.045 298 Q CA -0.655 55.156 55.803 0.013 0.000 0.811 298 Q CB 1.468 30.215 28.738 0.014 0.000 1.305 298 Q HN 0.513 nan 8.270 nan 0.000 0.447 299 E N 2.479 122.727 120.200 0.080 0.000 2.257 299 E HA 0.281 4.633 4.350 0.003 0.000 0.278 299 E C -1.134 175.523 176.600 0.095 0.000 1.049 299 E CA -0.427 56.047 56.400 0.123 0.000 0.876 299 E CB 0.790 30.638 29.700 0.248 0.000 1.035 299 E HN 0.407 nan 8.360 nan 0.000 0.419 300 V N 1.755 121.709 119.914 0.066 0.000 2.443 300 V HA 0.396 4.518 4.120 0.003 0.000 0.293 300 V C -0.074 176.040 176.094 0.033 0.000 1.021 300 V CA -0.983 61.346 62.300 0.049 0.000 0.848 300 V CB 1.522 33.371 31.823 0.042 0.000 0.998 300 V HN 0.513 nan 8.190 nan 0.000 0.424 301 T N 4.875 119.445 114.554 0.027 0.000 2.814 301 T HA 0.594 4.945 4.350 0.003 0.000 0.297 301 T C 0.708 175.417 174.700 0.016 0.000 0.956 301 T CA 0.581 62.690 62.100 0.014 0.000 1.123 301 T CB 1.060 69.934 68.868 0.009 0.000 0.902 301 T HN 1.341 nan 8.240 nan 0.000 0.528 302 A N 3.097 125.924 122.820 0.012 0.000 2.366 302 A HA 0.294 4.615 4.320 0.003 0.000 0.249 302 A C 1.316 178.910 177.584 0.017 0.000 1.084 302 A CA -0.555 51.492 52.037 0.016 0.000 0.794 302 A CB 0.112 19.120 19.000 0.015 0.000 1.034 302 A HN 0.887 nan 8.150 nan 0.000 0.491 303 E N 0.765 120.977 120.200 0.019 0.000 2.219 303 E HA -0.192 4.160 4.350 0.003 0.000 0.198 303 E C 0.911 177.524 176.600 0.021 0.000 0.998 303 E CA 1.971 58.382 56.400 0.019 0.000 0.818 303 E CB -0.046 29.665 29.700 0.020 0.000 0.741 303 E HN 0.722 nan 8.360 nan 0.000 0.477 304 D N -1.345 119.068 120.400 0.021 0.000 2.096 304 D HA -0.017 4.624 4.640 0.003 0.000 0.207 304 D C 1.662 177.979 176.300 0.027 0.000 0.976 304 D CA 1.702 55.717 54.000 0.025 0.000 0.875 304 D CB -0.309 40.506 40.800 0.026 0.000 1.009 304 D HN 0.373 nan 8.370 nan 0.000 0.449 305 G N -0.735 108.078 108.800 0.022 0.000 4.320 305 G HA2 -0.067 3.895 3.960 0.003 0.000 0.150 305 G HA3 -0.067 3.895 3.960 0.003 0.000 0.150 305 G C 0.062 174.956 174.900 -0.009 0.000 0.889 305 G CA 0.167 45.278 45.100 0.018 0.000 0.877 305 G HN 0.245 nan 8.290 nan 0.000 0.425 306 T N 2.683 117.232 114.554 -0.008 0.000 2.903 306 T HA 0.263 4.615 4.350 0.003 0.000 0.299 306 T C -0.080 174.599 174.700 -0.034 0.000 1.041 306 T CA 0.570 62.652 62.100 -0.031 0.000 1.138 306 T CB 0.986 69.844 68.868 -0.016 0.000 1.040 306 T HN 0.247 nan 8.240 nan 0.000 0.524 307 Q N 1.785 121.553 119.800 -0.053 0.000 2.266 307 Q HA 0.600 4.941 4.340 0.003 0.000 0.261 307 Q C -0.110 175.880 176.000 -0.017 0.000 0.985 307 Q CA -0.662 55.122 55.803 -0.031 0.000 0.873 307 Q CB 2.647 31.357 28.738 -0.047 0.000 1.306 307 Q HN 0.573 nan 8.270 nan 0.000 0.447 308 R N 0.190 120.696 120.500 0.011 0.000 2.668 308 R HA 0.460 4.802 4.340 0.003 0.000 0.272 308 R C -1.381 174.948 176.300 0.048 0.000 1.019 308 R CA -0.472 55.643 56.100 0.025 0.000 0.894 308 R CB 1.647 31.965 30.300 0.030 0.000 1.228 308 R HN 0.711 nan 8.270 nan 0.000 0.460 309 c N 2.130 120.766 118.600 0.060 0.000 2.388 309 c HA 0.492 5.063 4.570 0.003 0.000 0.362 309 c C -0.110 174.019 174.090 0.065 0.000 1.266 309 c CA -0.334 56.035 56.329 0.067 0.000 2.028 309 c CB 0.344 42.899 42.510 0.076 0.000 2.440 309 c HN 0.839 nan 8.230 nan 0.000 0.547 310 E N 1.239 121.475 120.200 0.059 0.000 2.408 310 E HA 0.460 4.811 4.350 0.003 0.000 0.275 310 E C -1.436 175.197 176.600 0.056 0.000 0.935 310 E CA -0.874 55.559 56.400 0.056 0.000 0.775 310 E CB 1.067 30.797 29.700 0.050 0.000 1.277 310 E HN 0.505 nan 8.360 nan 0.000 0.455 311 K N 0.940 121.374 120.400 0.056 0.000 2.382 311 K HA 0.178 4.500 4.320 0.003 0.000 0.275 311 K C -0.702 175.935 176.600 0.061 0.000 1.009 311 K CA -0.355 55.971 56.287 0.066 0.000 0.970 311 K CB 0.555 33.088 32.500 0.056 0.000 0.934 311 K HN 0.455 nan 8.250 nan 0.000 0.479 312 c N 2.642 121.286 118.600 0.074 0.000 2.585 312 c HA 0.061 4.633 4.570 0.003 0.000 0.406 312 c C 1.840 175.964 174.090 0.057 0.000 1.312 312 c CA -0.451 55.909 56.329 0.053 0.000 1.924 312 c CB 0.539 43.069 42.510 0.033 0.000 2.578 312 c HN 0.887 nan 8.230 nan 0.000 0.580 313 S N 1.586 117.309 115.700 0.039 0.000 2.336 313 S HA -0.027 4.444 4.470 0.003 0.000 0.216 313 S C 0.661 175.281 174.600 0.033 0.000 1.032 313 S CA 1.008 59.229 58.200 0.035 0.000 0.973 313 S CB 0.008 63.224 63.200 0.027 0.000 0.888 313 S HN 0.720 nan 8.310 nan 0.000 0.455 314 K N 1.795 122.209 120.400 0.024 0.000 2.143 314 K HA 0.368 4.689 4.320 0.003 0.000 0.272 314 K C -2.884 173.724 176.600 0.012 0.000 1.001 314 K CA -2.154 54.144 56.287 0.018 0.000 0.915 314 K CB 0.397 32.903 32.500 0.010 0.000 1.047 314 K HN -0.024 nan 8.250 nan 0.000 0.458 315 P HA -0.102 nan 4.420 nan 0.000 0.257 315 P C -0.566 176.706 177.300 -0.046 0.000 1.162 315 P CA -0.130 62.956 63.100 -0.024 0.000 0.762 315 P CB 0.024 31.708 31.700 -0.026 0.000 0.753 316 c N 3.330 121.886 118.600 -0.073 0.000 2.431 316 c HA 0.197 4.768 4.570 0.003 0.000 0.397 316 c C 1.463 175.515 174.090 -0.064 0.000 1.436 316 c CA -0.512 55.776 56.329 -0.069 0.000 1.596 316 c CB -1.348 41.104 42.510 -0.097 0.000 2.550 316 c HN 0.651 nan 8.230 nan 0.000 0.596 317 A N 5.133 127.923 122.820 -0.049 0.000 2.386 317 A HA 0.512 4.834 4.320 0.003 0.000 0.248 317 A C 0.795 178.345 177.584 -0.058 0.000 1.082 317 A CA -0.385 51.627 52.037 -0.041 0.000 0.789 317 A CB 0.311 19.297 19.000 -0.023 0.000 1.025 317 A HN 0.958 nan 8.150 nan 0.000 0.490 318 R N 0.650 121.123 120.500 -0.045 0.000 2.697 318 R HA 0.292 4.633 4.340 0.003 0.000 0.265 318 R C -0.882 175.377 176.300 -0.069 0.000 1.009 318 R CA 0.182 56.252 56.100 -0.050 0.000 1.099 318 R CB -0.336 29.946 30.300 -0.031 0.000 0.965 318 R HN 0.585 nan 8.270 nan 0.000 0.428 319 V N 1.845 121.691 119.914 -0.114 0.000 3.048 319 V HA 0.212 4.334 4.120 0.003 0.000 0.303 319 V C -0.824 175.158 176.094 -0.185 0.000 1.214 319 V CA -0.892 61.302 62.300 -0.176 0.000 0.984 319 V CB 2.365 33.943 31.823 -0.409 0.000 1.054 319 V HN 1.032 nan 8.190 nan 0.000 0.430 320 c N 5.237 123.819 118.600 -0.029 0.000 2.482 320 c HA 0.535 5.107 4.570 0.003 0.000 0.378 320 c C -0.461 173.668 174.090 0.066 0.000 1.284 320 c CA -0.804 55.563 56.329 0.064 0.000 1.826 320 c CB -1.099 41.533 42.510 0.202 0.000 2.473 320 c HN 0.658 nan 8.230 nan 0.000 0.562 321 Y N 1.569 122.000 120.300 0.218 0.000 2.330 321 Y HA 0.542 5.094 4.550 0.002 0.000 0.336 321 Y C 0.979 177.031 175.900 0.253 0.000 1.036 321 Y CA 0.469 58.697 58.100 0.213 0.000 1.125 321 Y CB 1.125 39.656 38.460 0.118 0.000 1.194 321 Y HN 0.882 nan 8.280 nan 0.000 0.469 322 G N 2.747 111.816 108.800 0.448 0.000 2.543 322 G HA2 0.447 4.408 3.960 0.003 0.000 0.290 322 G HA3 0.447 4.408 3.960 0.003 0.000 0.290 322 G C -0.563 174.449 174.900 0.186 0.000 1.310 322 G CA -0.952 44.355 45.100 0.345 0.000 1.025 322 G HN 0.606 nan 8.290 nan 0.000 0.502 323 L N 0.204 121.478 121.223 0.085 0.000 2.485 323 L HA 0.345 4.686 4.340 0.003 0.000 0.275 323 L C 1.589 178.456 176.870 -0.004 0.000 1.207 323 L CA 1.040 55.890 54.840 0.016 0.000 0.855 323 L CB 0.422 42.466 42.059 -0.024 0.000 1.114 323 L HN 1.012 nan 8.230 nan 0.000 0.485 324 G N 2.308 111.108 108.800 0.000 0.000 2.141 324 G HA2 -0.278 3.683 3.960 0.003 0.000 0.242 324 G HA3 -0.278 3.683 3.960 0.003 0.000 0.242 324 G C -0.454 174.447 174.900 0.001 0.000 0.982 324 G CA 0.153 45.262 45.100 0.014 0.000 0.662 324 G HN 0.474 nan 8.290 nan 0.000 0.527 325 M N -0.253 119.330 119.600 -0.029 0.000 2.378 325 M HA 0.610 5.091 4.480 0.003 0.000 0.289 325 M C 0.393 176.529 176.300 -0.274 0.000 1.136 325 M CA -0.212 55.035 55.300 -0.088 0.000 0.917 325 M CB 1.521 34.175 32.600 0.089 0.000 1.669 325 M HN 0.331 nan 8.290 nan 0.000 0.461 326 E N 1.338 121.305 120.200 -0.388 0.000 3.213 326 E HA -0.347 4.004 4.350 0.003 0.000 0.374 326 E C 0.063 176.568 176.600 -0.159 0.000 1.500 326 E CA 2.199 58.359 56.400 -0.399 0.000 1.497 326 E CB -0.857 28.343 29.700 -0.834 0.000 1.692 326 E HN 1.015 nan 8.360 nan 0.000 0.494 327 H N 1.610 120.585 119.070 -0.159 0.000 2.556 327 H HA 0.100 4.657 4.556 0.003 0.000 0.268 327 H C 1.924 177.229 175.328 -0.039 0.000 0.996 327 H CA 1.071 57.073 56.048 -0.076 0.000 1.157 327 H CB -0.238 29.493 29.762 -0.053 0.000 1.355 327 H HN 0.229 nan 8.280 nan 0.000 0.597 328 L N 0.612 121.561 121.223 -0.457 0.000 2.700 328 L HA 0.222 4.564 4.340 0.003 0.000 0.234 328 L C 2.585 179.382 176.870 -0.121 0.000 1.156 328 L CA -0.149 54.520 54.840 -0.286 0.000 0.946 328 L CB 0.041 41.937 42.059 -0.271 0.000 1.216 328 L HN 0.110 nan 8.230 nan 0.000 0.493 329 R N 0.815 121.253 120.500 -0.103 0.000 2.103 329 R HA -0.193 4.149 4.340 0.003 0.000 0.242 329 R C 1.590 177.874 176.300 -0.026 0.000 1.142 329 R CA 1.558 57.625 56.100 -0.054 0.000 0.960 329 R CB 0.214 30.484 30.300 -0.051 0.000 0.858 329 R HN 0.251 nan 8.270 nan 0.000 0.439 330 E N 0.026 120.211 120.200 -0.026 0.000 2.442 330 E HA 0.043 4.394 4.350 0.003 0.000 0.195 330 E C -0.087 176.509 176.600 -0.005 0.000 1.030 330 E CA 0.125 56.519 56.400 -0.010 0.000 0.869 330 E CB 0.442 30.137 29.700 -0.008 0.000 0.857 330 E HN 0.097 nan 8.360 nan 0.000 0.505 331 V N 2.982 122.887 119.914 -0.014 0.000 2.583 331 V HA 0.056 4.177 4.120 0.003 0.000 0.287 331 V C 1.682 177.780 176.094 0.007 0.000 1.051 331 V CA 0.086 62.383 62.300 -0.006 0.000 1.010 331 V CB 1.284 33.096 31.823 -0.017 0.000 0.988 331 V HN 0.206 nan 8.190 nan 0.000 0.478 332 R N 3.562 124.069 120.500 0.011 0.000 2.189 332 R HA 0.563 4.904 4.340 0.003 0.000 0.203 332 R C 0.517 176.826 176.300 0.014 0.000 1.012 332 R CA 0.707 56.819 56.100 0.021 0.000 1.015 332 R CB 0.348 30.662 30.300 0.023 0.000 0.938 332 R HN 0.652 nan 8.270 nan 0.000 0.472 333 A N 0.710 123.522 122.820 -0.013 0.000 2.609 333 A HA 0.529 4.851 4.320 0.003 0.000 0.291 333 A C -1.127 176.391 177.584 -0.109 0.000 1.096 333 A CA -0.736 51.263 52.037 -0.064 0.000 0.684 333 A CB 1.949 20.926 19.000 -0.039 0.000 1.282 333 A HN -0.021 nan 8.150 nan 0.000 0.412 334 V N 2.254 122.007 119.914 -0.268 0.000 2.455 334 V HA 0.521 4.643 4.120 0.003 0.000 0.273 334 V C 0.760 176.763 176.094 -0.151 0.000 1.045 334 V CA 0.887 63.052 62.300 -0.225 0.000 0.976 334 V CB 0.358 31.846 31.823 -0.558 0.000 0.993 334 V HN 1.213 nan 8.190 nan 0.000 0.475 335 T N 0.515 115.051 114.554 -0.030 0.000 2.716 335 T HA 0.317 4.668 4.350 0.003 0.000 0.286 335 T C 1.183 175.887 174.700 0.006 0.000 1.052 335 T CA 0.070 62.144 62.100 -0.042 0.000 1.024 335 T CB 1.487 70.336 68.868 -0.031 0.000 1.349 335 T HN 0.554 nan 8.240 nan 0.000 0.525 336 S N 0.032 115.727 115.700 -0.007 0.000 2.442 336 S HA -0.014 4.458 4.470 0.003 0.000 0.236 336 S C 2.209 176.817 174.600 0.014 0.000 1.007 336 S CA 0.762 58.967 58.200 0.008 0.000 0.965 336 S CB -1.083 62.118 63.200 0.003 0.000 0.773 336 S HN 1.078 nan 8.310 nan 0.000 0.504 337 A N 2.768 125.597 122.820 0.015 0.000 2.066 337 A HA 0.029 4.350 4.320 0.003 0.000 0.218 337 A C 1.794 179.390 177.584 0.020 0.000 1.157 337 A CA 1.220 53.266 52.037 0.015 0.000 0.670 337 A CB -0.441 18.567 19.000 0.014 0.000 0.804 337 A HN 0.795 nan 8.150 nan 0.000 0.453 338 N N -1.680 117.044 118.700 0.040 0.000 2.143 338 N HA 0.084 4.825 4.740 0.003 0.000 0.222 338 N C 0.810 176.360 175.510 0.066 0.000 1.264 338 N CA 0.246 53.318 53.050 0.035 0.000 0.897 338 N CB -0.566 37.956 38.487 0.058 0.000 1.092 338 N HN 0.216 nan 8.380 nan 0.000 0.516 339 I N 0.861 121.506 120.570 0.125 0.000 2.264 339 I HA -0.225 3.946 4.170 0.003 0.000 0.248 339 I C 1.717 177.889 176.117 0.092 0.000 1.111 339 I CA 1.669 63.089 61.300 0.201 0.000 1.382 339 I CB 0.019 38.083 38.000 0.107 0.000 1.060 339 I HN 0.042 nan 8.210 nan 0.000 0.418 340 Q N 0.665 120.458 119.800 -0.012 0.000 2.170 340 Q HA -0.216 4.126 4.340 0.003 0.000 0.203 340 Q C 1.989 177.917 176.000 -0.120 0.000 0.976 340 Q CA 1.585 57.355 55.803 -0.056 0.000 0.858 340 Q CB -0.499 28.210 28.738 -0.048 0.000 0.907 340 Q HN 0.664 nan 8.270 nan 0.000 0.433 341 E N -0.485 119.562 120.200 -0.255 0.000 2.455 341 E HA -0.133 4.219 4.350 0.003 0.000 0.202 341 E C 0.797 177.104 176.600 -0.488 0.000 1.045 341 E CA 0.497 56.659 56.400 -0.397 0.000 0.872 341 E CB -0.167 29.217 29.700 -0.526 0.000 0.792 341 E HN 0.393 nan 8.360 nan 0.000 0.542 342 F N 0.321 120.274 119.950 0.005 0.000 2.695 342 F HA 0.282 4.811 4.527 0.003 0.000 0.303 342 F C 1.080 176.842 175.800 -0.063 0.000 1.091 342 F CA -0.601 57.402 58.000 0.004 0.000 1.300 342 F CB 0.336 39.348 39.000 0.021 0.000 1.071 342 F HN -0.186 nan 8.300 nan 0.000 0.578 343 A N 1.146 123.980 122.820 0.024 0.000 2.558 343 A HA 0.301 4.622 4.320 0.003 0.000 0.262 343 A C 1.580 179.178 177.584 0.023 0.000 1.049 343 A CA 0.856 52.887 52.037 -0.009 0.000 0.804 343 A CB -1.204 17.779 19.000 -0.028 0.000 0.957 343 A HN 0.959 nan 8.150 nan 0.000 0.520 344 G N 1.712 110.528 108.800 0.028 0.000 2.249 344 G HA2 -0.254 3.708 3.960 0.003 0.000 0.273 344 G HA3 -0.254 3.708 3.960 0.003 0.000 0.273 344 G C 0.326 175.270 174.900 0.073 0.000 1.036 344 G CA 0.191 45.318 45.100 0.043 0.000 0.824 344 G HN 1.122 nan 8.290 nan 0.000 0.504 345 c N -0.289 118.385 118.600 0.123 0.000 2.514 345 c HA 0.397 4.969 4.570 0.003 0.000 0.392 345 c C 1.907 176.078 174.090 0.136 0.000 1.294 345 c CA -0.097 56.321 56.329 0.149 0.000 1.957 345 c CB 1.099 43.754 42.510 0.241 0.000 2.541 345 c HN 0.614 nan 8.230 nan 0.000 0.569 346 K N 0.905 121.364 120.400 0.097 0.000 2.262 346 K HA 0.026 4.347 4.320 0.003 0.000 0.200 346 K C 0.541 177.174 176.600 0.055 0.000 1.049 346 K CA 0.839 57.170 56.287 0.073 0.000 0.979 346 K CB 0.237 32.766 32.500 0.048 0.000 0.773 346 K HN 0.596 nan 8.250 nan 0.000 0.474 347 K N 1.127 121.558 120.400 0.051 0.000 2.535 347 K HA 0.313 4.635 4.320 0.003 0.000 0.250 347 K C -1.547 175.051 176.600 -0.004 0.000 0.948 347 K CA -0.360 55.907 56.287 -0.035 0.000 0.796 347 K CB 1.307 33.734 32.500 -0.122 0.000 1.216 347 K HN -0.124 nan 8.250 nan 0.000 0.432 348 I N 5.166 125.719 120.570 -0.029 0.000 2.328 348 I HA 0.261 4.433 4.170 0.003 0.000 0.287 348 I C -0.708 175.378 176.117 -0.052 0.000 1.012 348 I CA -0.797 60.546 61.300 0.073 0.000 1.195 348 I CB 0.710 38.790 38.000 0.133 0.000 1.350 348 I HN 0.582 nan 8.210 nan 0.000 0.464 349 F N 6.078 126.043 119.950 0.025 0.000 2.541 349 F HA 0.470 4.999 4.527 0.003 0.000 0.347 349 F C 1.120 177.013 175.800 0.155 0.000 1.242 349 F CA 0.514 58.540 58.000 0.044 0.000 1.123 349 F CB 0.095 39.049 39.000 -0.076 0.000 1.354 349 F HN 0.656 nan 8.300 nan 0.000 0.621 350 G N 1.153 110.056 108.800 0.172 0.000 2.260 350 G HA2 0.214 4.176 3.960 0.003 0.000 0.250 350 G HA3 0.214 4.176 3.960 0.003 0.000 0.250 350 G C -1.183 173.672 174.900 -0.076 0.000 1.340 350 G CA -0.759 44.400 45.100 0.098 0.000 1.056 350 G HN 0.460 nan 8.290 nan 0.000 0.471 351 S N -1.172 114.414 115.700 -0.190 0.000 2.704 351 S HA 0.876 5.347 4.470 0.003 0.000 0.296 351 S C -0.866 173.529 174.600 -0.342 0.000 1.138 351 S CA -0.712 57.222 58.200 -0.443 0.000 0.875 351 S CB 1.771 64.277 63.200 -1.157 0.000 1.151 351 S HN 0.780 nan 8.310 nan 0.000 0.500 352 L N 1.057 122.064 121.223 -0.360 0.000 2.410 352 L HA 0.823 5.164 4.340 0.003 0.000 0.270 352 L C -0.649 176.150 176.870 -0.119 0.000 0.983 352 L CA -0.721 53.946 54.840 -0.289 0.000 0.822 352 L CB 1.815 43.690 42.059 -0.307 0.000 1.285 352 L HN 0.766 nan 8.230 nan 0.000 0.409 353 A N 2.766 125.476 122.820 -0.184 0.000 2.371 353 A HA 0.882 5.204 4.320 0.003 0.000 0.311 353 A C -1.402 176.038 177.584 -0.239 0.000 1.068 353 A CA -0.315 51.763 52.037 0.068 0.000 0.744 353 A CB 0.909 20.008 19.000 0.165 0.000 1.239 353 A HN 0.481 nan 8.150 nan 0.000 0.435 354 F N 2.756 122.864 119.950 0.263 0.000 2.382 354 F HA 0.549 5.078 4.527 0.003 0.000 0.361 354 F C -0.404 175.572 175.800 0.294 0.000 1.109 354 F CA -0.706 57.447 58.000 0.255 0.000 1.031 354 F CB 1.452 40.713 39.000 0.434 0.000 1.234 354 F HN 0.242 nan 8.300 nan 0.000 0.445 355 L N 4.951 126.360 121.223 0.311 0.000 2.332 355 L HA 0.567 4.909 4.340 0.003 0.000 0.269 355 L C -1.401 175.631 176.870 0.271 0.000 1.016 355 L CA -2.829 52.182 54.840 0.285 0.000 0.809 355 L CB 0.977 43.151 42.059 0.191 0.000 1.280 355 L HN 0.136 nan 8.230 nan 0.000 0.447 356 P HA -0.245 nan 4.420 nan 0.000 0.218 356 P C 1.232 178.634 177.300 0.169 0.000 1.154 356 P CA 1.525 64.757 63.100 0.219 0.000 0.872 356 P CB 0.189 31.980 31.700 0.151 0.000 0.790 357 E N -0.904 119.364 120.200 0.112 0.000 2.204 357 E HA -0.126 4.226 4.350 0.003 0.000 0.194 357 E C 1.714 178.325 176.600 0.019 0.000 0.989 357 E CA 1.185 57.624 56.400 0.065 0.000 0.824 357 E CB -0.798 28.931 29.700 0.047 0.000 0.756 357 E HN 0.099 nan 8.360 nan 0.000 0.477 358 S N 0.301 115.987 115.700 -0.023 0.000 2.365 358 S HA -0.120 4.351 4.470 0.003 0.000 0.225 358 S C 1.453 175.872 174.600 -0.301 0.000 1.039 358 S CA 1.660 59.727 58.200 -0.221 0.000 1.033 358 S CB -0.322 62.657 63.200 -0.369 0.000 0.887 358 S HN 0.387 nan 8.310 nan 0.000 0.447 359 F N 1.498 121.505 119.950 0.095 0.000 2.446 359 F HA 0.127 4.656 4.527 0.004 0.000 0.292 359 F C 0.640 176.461 175.800 0.035 0.000 1.096 359 F CA 0.069 58.102 58.000 0.055 0.000 1.438 359 F CB 0.187 39.210 39.000 0.038 0.000 1.107 359 F HN 0.134 nan 8.300 nan 0.000 0.546 360 D N 0.796 121.307 120.400 0.184 0.000 2.373 360 D HA 0.260 4.901 4.640 0.003 0.000 0.227 360 D C 0.641 176.983 176.300 0.070 0.000 1.091 360 D CA -0.085 53.981 54.000 0.109 0.000 0.840 360 D CB 1.666 42.521 40.800 0.092 0.000 1.060 360 D HN 0.138 nan 8.370 nan 0.000 0.502 361 G N 1.562 110.392 108.800 0.051 0.000 2.394 361 G HA2 -0.006 3.956 3.960 0.003 0.000 0.256 361 G HA3 -0.006 3.956 3.960 0.003 0.000 0.256 361 G C -0.303 174.613 174.900 0.027 0.000 1.504 361 G CA 0.135 45.252 45.100 0.029 0.000 1.051 361 G HN 0.568 nan 8.290 nan 0.000 0.550 362 D N -0.912 119.500 120.400 0.020 0.000 2.328 362 D HA 0.277 4.918 4.640 0.003 0.000 0.243 362 D C -1.645 174.664 176.300 0.016 0.000 1.324 362 D CA -1.525 52.486 54.000 0.019 0.000 0.966 362 D CB 1.573 42.383 40.800 0.017 0.000 1.324 362 D HN -0.040 nan 8.370 nan 0.000 0.549 363 P HA -0.177 nan 4.420 nan 0.000 0.218 363 P C 1.145 178.451 177.300 0.012 0.000 1.146 363 P CA 0.891 63.999 63.100 0.014 0.000 0.820 363 P CB 0.270 31.978 31.700 0.014 0.000 0.778 364 A N -0.570 122.258 122.820 0.012 0.000 2.067 364 A HA -0.047 4.274 4.320 0.003 0.000 0.219 364 A C 2.178 179.767 177.584 0.009 0.000 1.158 364 A CA 1.566 53.610 52.037 0.011 0.000 0.661 364 A CB -0.874 18.133 19.000 0.012 0.000 0.801 364 A HN 0.195 nan 8.150 nan 0.000 0.452 365 S N -0.039 115.667 115.700 0.010 0.000 2.578 365 S HA 0.094 4.565 4.470 0.003 0.000 0.231 365 S C 0.078 174.683 174.600 0.008 0.000 0.994 365 S CA 0.004 58.209 58.200 0.008 0.000 0.956 365 S CB -0.361 62.844 63.200 0.009 0.000 0.870 365 S HN 0.864 nan 8.310 nan 0.000 0.494 366 N N 2.711 121.416 118.700 0.008 0.000 2.770 366 N HA -0.188 4.554 4.740 0.003 0.000 0.283 366 N C -0.219 175.296 175.510 0.008 0.000 1.009 366 N CA 0.930 53.985 53.050 0.008 0.000 0.828 366 N CB -1.886 36.606 38.487 0.007 0.000 0.939 366 N HN 0.384 nan 8.380 nan 0.000 0.580 367 T N -3.017 111.542 114.554 0.009 0.000 2.744 367 T HA 0.689 5.040 4.350 0.003 0.000 0.291 367 T C 0.551 175.257 174.700 0.009 0.000 0.957 367 T CA -0.563 61.541 62.100 0.007 0.000 1.002 367 T CB 1.469 70.340 68.868 0.006 0.000 0.919 367 T HN 0.621 nan 8.240 nan 0.000 0.468 368 A N 5.940 128.765 122.820 0.009 0.000 2.445 368 A HA 0.554 4.875 4.320 0.003 0.000 0.242 368 A C -1.991 175.602 177.584 0.015 0.000 1.075 368 A CA -1.508 50.536 52.037 0.013 0.000 0.777 368 A CB -0.504 18.503 19.000 0.012 0.000 1.013 368 A HN 0.782 nan 8.150 nan 0.000 0.493 369 P HA 0.074 nan 4.420 nan 0.000 0.264 369 P C -0.342 176.983 177.300 0.042 0.000 1.193 369 P CA -0.170 62.956 63.100 0.042 0.000 0.763 369 P CB 0.292 32.031 31.700 0.065 0.000 0.810 370 L N 4.083 125.317 121.223 0.018 0.000 2.490 370 L HA 0.031 4.372 4.340 0.003 0.000 0.274 370 L C 0.513 177.461 176.870 0.130 0.000 1.201 370 L CA 0.857 55.706 54.840 0.016 0.000 0.869 370 L CB -0.263 41.708 42.059 -0.147 0.000 1.123 370 L HN 0.307 nan 8.230 nan 0.000 0.484 371 Q N 6.348 126.203 119.800 0.091 0.000 2.241 371 Q HA 0.313 4.655 4.340 0.003 0.000 0.254 371 Q C -1.710 174.329 176.000 0.066 0.000 0.917 371 Q CA -1.997 53.851 55.803 0.075 0.000 0.919 371 Q CB 1.234 29.990 28.738 0.030 0.000 1.237 371 Q HN 0.421 nan 8.270 nan 0.000 0.434 372 P HA -0.274 nan 4.420 nan 0.000 0.217 372 P C 1.129 178.393 177.300 -0.060 0.000 1.162 372 P CA 1.753 64.805 63.100 -0.080 0.000 0.901 372 P CB 0.247 31.861 31.700 -0.144 0.000 0.793 373 E N 0.545 120.719 120.200 -0.042 0.000 2.147 373 E HA -0.285 4.067 4.350 0.003 0.000 0.199 373 E C 1.875 178.458 176.600 -0.028 0.000 1.005 373 E CA 1.550 57.929 56.400 -0.035 0.000 0.810 373 E CB -1.344 28.340 29.700 -0.026 0.000 0.736 373 E HN 0.405 nan 8.360 nan 0.000 0.460 374 Q N 0.408 120.200 119.800 -0.012 0.000 2.234 374 Q HA -0.063 4.279 4.340 0.003 0.000 0.206 374 Q C 2.423 178.408 176.000 -0.025 0.000 0.980 374 Q CA 1.158 56.953 55.803 -0.014 0.000 0.869 374 Q CB -0.290 28.454 28.738 0.010 0.000 0.912 374 Q HN 0.356 nan 8.270 nan 0.000 0.436 375 L N 0.417 121.648 121.223 0.013 0.000 2.549 375 L HA -0.199 4.142 4.340 0.003 0.000 0.230 375 L C 1.939 178.809 176.870 0.000 0.000 1.162 375 L CA 0.728 55.612 54.840 0.073 0.000 0.834 375 L CB -0.252 41.818 42.059 0.018 0.000 0.947 375 L HN 0.252 nan 8.230 nan 0.000 0.452 376 Q N -0.466 119.301 119.800 -0.054 0.000 2.437 376 Q HA -0.125 4.216 4.340 0.003 0.000 0.210 376 Q C 2.247 178.189 176.000 -0.098 0.000 0.972 376 Q CA 1.148 56.915 55.803 -0.059 0.000 0.903 376 Q CB -0.003 28.707 28.738 -0.046 0.000 0.967 376 Q HN 0.637 nan 8.270 nan 0.000 0.486 377 V N -2.665 117.122 119.914 -0.212 0.000 2.594 377 V HA -0.199 3.923 4.120 0.003 0.000 0.253 377 V C 1.491 177.449 176.094 -0.226 0.000 1.069 377 V CA 1.461 63.602 62.300 -0.266 0.000 1.082 377 V CB -0.871 30.722 31.823 -0.384 0.000 0.680 377 V HN 0.235 nan 8.190 nan 0.000 0.469 378 F N 0.653 120.607 119.950 0.006 0.000 2.811 378 F HA 0.207 4.735 4.527 0.002 0.000 0.301 378 F C 2.286 178.065 175.800 -0.035 0.000 1.151 378 F CA 0.377 58.376 58.000 -0.002 0.000 1.412 378 F CB -0.426 38.502 39.000 -0.119 0.000 1.113 378 F HN 0.157 nan 8.300 nan 0.000 0.579 379 E N 0.149 120.397 120.200 0.079 0.000 2.265 379 E HA -0.157 4.194 4.350 0.003 0.000 0.196 379 E C 1.985 178.624 176.600 0.065 0.000 0.996 379 E CA 1.711 58.137 56.400 0.044 0.000 0.832 379 E CB -0.223 29.482 29.700 0.009 0.000 0.756 379 E HN 0.454 nan 8.360 nan 0.000 0.491 380 T N -0.881 113.724 114.554 0.086 0.000 3.065 380 T HA 0.069 4.421 4.350 0.003 0.000 0.252 380 T C 0.803 175.568 174.700 0.107 0.000 1.099 380 T CA -0.393 61.754 62.100 0.079 0.000 1.063 380 T CB -0.035 68.872 68.868 0.064 0.000 0.948 380 T HN -0.071 nan 8.240 nan 0.000 0.506 381 L N 2.277 123.604 121.223 0.174 0.000 2.540 381 L HA 0.205 4.546 4.340 0.003 0.000 0.276 381 L C 0.835 177.776 176.870 0.118 0.000 1.212 381 L CA 0.732 55.684 54.840 0.188 0.000 0.893 381 L CB 0.382 42.630 42.059 0.315 0.000 1.138 381 L HN 0.137 nan 8.230 nan 0.000 0.491 382 E N 2.308 122.547 120.200 0.065 0.000 2.421 382 E HA 0.162 4.513 4.350 0.003 0.000 0.209 382 E C -0.389 176.204 176.600 -0.012 0.000 0.871 382 E CA 0.072 56.485 56.400 0.021 0.000 1.064 382 E CB 0.687 30.394 29.700 0.011 0.000 1.075 382 E HN 0.708 nan 8.360 nan 0.000 0.513 383 E N 0.818 121.002 120.200 -0.026 0.000 2.321 383 E HA 0.402 4.754 4.350 0.003 0.000 0.278 383 E C -1.539 175.001 176.600 -0.100 0.000 0.902 383 E CA -0.429 55.927 56.400 -0.073 0.000 0.758 383 E CB 1.555 31.194 29.700 -0.103 0.000 1.213 383 E HN -0.055 nan 8.360 nan 0.000 0.426 384 I N 3.941 124.445 120.570 -0.110 0.000 2.418 384 I HA 0.166 4.338 4.170 0.003 0.000 0.287 384 I C 1.256 177.301 176.117 -0.119 0.000 1.008 384 I CA -0.402 60.824 61.300 -0.123 0.000 1.104 384 I CB 2.042 39.964 38.000 -0.130 0.000 1.264 384 I HN 0.780 nan 8.210 nan 0.000 0.438 385 T N 1.217 115.683 114.554 -0.147 0.000 2.985 385 T HA 0.078 4.430 4.350 0.003 0.000 0.266 385 T C 1.103 175.780 174.700 -0.038 0.000 1.076 385 T CA 0.693 62.725 62.100 -0.113 0.000 1.135 385 T CB 0.117 68.903 68.868 -0.137 0.000 0.890 385 T HN 0.648 nan 8.240 nan 0.000 0.480 386 G N 0.876 109.650 108.800 -0.044 0.000 3.329 386 G HA2 0.537 4.499 3.960 0.003 0.000 0.180 386 G HA3 0.537 4.499 3.960 0.003 0.000 0.180 386 G C -0.318 174.614 174.900 0.053 0.000 1.640 386 G CA -0.399 44.694 45.100 -0.011 0.000 1.018 386 G HN 0.640 nan 8.290 nan 0.000 0.581 387 Y N -2.069 118.263 120.300 0.052 0.000 2.686 387 Y HA 0.816 5.368 4.550 0.002 0.000 0.330 387 Y C -1.165 174.754 175.900 0.033 0.000 1.082 387 Y CA -1.960 56.181 58.100 0.068 0.000 1.158 387 Y CB 1.598 40.145 38.460 0.145 0.000 1.333 387 Y HN 0.465 nan 8.280 nan 0.000 0.519 388 L N 2.174 123.596 121.223 0.332 0.000 2.441 388 L HA 0.479 4.820 4.340 0.003 0.000 0.270 388 L C -2.253 174.780 176.870 0.272 0.000 0.973 388 L CA -0.848 54.080 54.840 0.147 0.000 0.842 388 L CB 1.489 43.480 42.059 -0.113 0.000 1.239 388 L HN 0.749 nan 8.230 nan 0.000 0.406 389 Y N 6.013 126.429 120.300 0.194 0.000 2.326 389 Y HA 0.744 5.296 4.550 0.003 0.000 0.329 389 Y C -1.151 174.837 175.900 0.146 0.000 0.973 389 Y CA -0.757 57.393 58.100 0.083 0.000 1.162 389 Y CB 1.320 39.770 38.460 -0.016 0.000 1.147 389 Y HN 0.529 nan 8.280 nan 0.000 0.456 390 I N 6.049 126.424 120.570 -0.325 0.000 2.448 390 I HA 0.222 4.394 4.170 0.003 0.000 0.281 390 I C 0.124 176.086 176.117 -0.257 0.000 1.027 390 I CA -0.394 60.856 61.300 -0.084 0.000 1.111 390 I CB 1.771 39.712 38.000 -0.099 0.000 1.236 390 I HN 0.724 nan 8.210 nan 0.000 0.452 391 S N 3.303 118.965 115.700 -0.063 0.000 2.559 391 S HA 0.650 5.121 4.470 0.003 0.000 0.226 391 S C 0.342 175.022 174.600 0.134 0.000 1.000 391 S CA -0.337 57.849 58.200 -0.023 0.000 0.948 391 S CB 0.717 63.965 63.200 0.079 0.000 0.870 391 S HN 0.645 nan 8.310 nan 0.000 0.497 392 A N 0.936 123.923 122.820 0.278 0.000 2.566 392 A HA 0.651 4.973 4.320 0.003 0.000 0.297 392 A C -1.888 175.957 177.584 0.435 0.000 1.059 392 A CA -0.547 51.684 52.037 0.324 0.000 0.691 392 A CB 1.171 20.428 19.000 0.429 0.000 1.282 392 A HN 0.508 nan 8.150 nan 0.000 0.401 393 W N 2.901 124.090 121.300 -0.186 0.000 3.425 393 W HA 0.468 5.129 4.660 0.002 0.000 0.318 393 W C -3.223 172.929 176.519 -0.612 0.000 1.201 393 W CA -1.858 55.222 57.345 -0.441 0.000 1.212 393 W CB 2.022 31.341 29.460 -0.235 0.000 1.355 393 W HN 0.536 nan 8.180 nan 0.000 0.515 394 P HA 0.045 nan 4.420 nan 0.000 0.267 394 P C 0.422 177.488 177.300 -0.391 0.000 1.205 394 P CA 0.540 63.154 63.100 -0.810 0.000 0.765 394 P CB 0.791 31.999 31.700 -0.819 0.000 0.828 395 D N 0.992 121.255 120.400 -0.227 0.000 2.309 395 D HA -0.123 4.519 4.640 0.003 0.000 0.212 395 D C 1.585 177.820 176.300 -0.108 0.000 0.968 395 D CA 1.343 55.277 54.000 -0.111 0.000 0.882 395 D CB -0.171 40.587 40.800 -0.069 0.000 0.918 395 D HN 0.387 nan 8.370 nan 0.000 0.503 396 S N -0.564 115.050 115.700 -0.144 0.000 2.522 396 S HA -0.013 4.459 4.470 0.003 0.000 0.227 396 S C 0.963 175.496 174.600 -0.111 0.000 0.986 396 S CA 0.026 58.157 58.200 -0.114 0.000 0.929 396 S CB -0.150 62.984 63.200 -0.110 0.000 0.769 396 S HN 0.125 nan 8.310 nan 0.000 0.529 397 L N 1.835 122.978 121.223 -0.132 0.000 2.282 397 L HA 0.429 4.770 4.340 0.003 0.000 0.288 397 L C -1.996 174.842 176.870 -0.053 0.000 1.033 397 L CA -2.185 52.615 54.840 -0.066 0.000 0.807 397 L CB 1.479 43.520 42.059 -0.030 0.000 1.209 397 L HN -0.059 nan 8.230 nan 0.000 0.423 398 P HA 0.029 nan 4.420 nan 0.000 0.240 398 P C -0.719 176.141 177.300 -0.734 0.000 1.190 398 P CA 0.608 63.427 63.100 -0.468 0.000 0.781 398 P CB 0.163 31.462 31.700 -0.668 0.000 0.931 399 D N -1.505 118.599 120.400 -0.494 0.000 2.759 399 D HA 0.113 4.755 4.640 0.003 0.000 0.321 399 D C -0.150 176.035 176.300 -0.191 0.000 1.267 399 D CA -0.748 52.954 54.000 -0.497 0.000 0.933 399 D CB 0.249 40.630 40.800 -0.698 0.000 1.431 399 D HN -0.165 nan 8.370 nan 0.000 0.504 400 L N 1.015 122.094 121.223 -0.239 0.000 2.848 400 L HA 0.152 4.493 4.340 0.003 0.000 0.240 400 L C 1.619 178.480 176.870 -0.016 0.000 1.232 400 L CA -0.077 54.622 54.840 -0.236 0.000 1.031 400 L CB -0.204 41.622 42.059 -0.387 0.000 1.338 400 L HN 0.412 nan 8.230 nan 0.000 0.509 401 S N -0.652 115.060 115.700 0.021 0.000 2.462 401 S HA -0.185 4.287 4.470 0.003 0.000 0.243 401 S C 1.949 176.553 174.600 0.006 0.000 1.003 401 S CA 1.176 59.395 58.200 0.032 0.000 0.970 401 S CB -0.915 62.327 63.200 0.069 0.000 0.762 401 S HN 0.453 nan 8.310 nan 0.000 0.510 402 V N -2.117 117.788 119.914 -0.016 0.000 2.688 402 V HA 0.030 4.151 4.120 0.003 0.000 0.256 402 V C 1.487 177.414 176.094 -0.278 0.000 1.084 402 V CA 1.243 63.452 62.300 -0.152 0.000 1.103 402 V CB -1.406 30.292 31.823 -0.208 0.000 0.688 402 V HN 0.521 nan 8.190 nan 0.000 0.480 403 F N -0.024 119.933 119.950 0.011 0.000 2.730 403 F HA 0.347 4.875 4.527 0.002 0.000 0.295 403 F C 2.132 177.866 175.800 -0.110 0.000 1.143 403 F CA -0.031 57.935 58.000 -0.058 0.000 1.367 403 F CB -0.013 38.900 39.000 -0.145 0.000 0.970 403 F HN 0.088 nan 8.300 nan 0.000 0.514 404 Q N 0.682 120.500 119.800 0.031 0.000 2.152 404 Q HA -0.219 4.123 4.340 0.003 0.000 0.206 404 Q C 1.442 177.406 176.000 -0.061 0.000 0.985 404 Q CA 1.499 57.277 55.803 -0.042 0.000 0.863 404 Q CB 0.034 28.758 28.738 -0.023 0.000 0.904 404 Q HN 0.438 nan 8.270 nan 0.000 0.422 405 N N 0.074 118.770 118.700 -0.006 0.000 2.280 405 N HA 0.010 4.752 4.740 0.003 0.000 0.192 405 N C -0.071 175.435 175.510 -0.007 0.000 1.109 405 N CA -0.037 53.008 53.050 -0.009 0.000 0.855 405 N CB 0.260 38.758 38.487 0.018 0.000 0.974 405 N HN 0.148 nan 8.380 nan 0.000 0.482 406 L N 2.053 123.280 121.223 0.006 0.000 2.477 406 L HA -0.010 4.331 4.340 0.003 0.000 0.272 406 L C 1.128 177.948 176.870 -0.083 0.000 1.157 406 L CA 0.618 55.447 54.840 -0.017 0.000 0.889 406 L CB 0.554 42.603 42.059 -0.017 0.000 1.158 406 L HN 0.019 nan 8.230 nan 0.000 0.473 407 Q N 3.936 123.701 119.800 -0.058 0.000 2.388 407 Q HA 0.244 4.586 4.340 0.003 0.000 0.204 407 Q C -0.313 175.662 176.000 -0.042 0.000 0.946 407 Q CA 0.730 56.499 55.803 -0.056 0.000 0.880 407 Q CB 0.533 29.251 28.738 -0.032 0.000 0.997 407 Q HN 0.658 nan 8.270 nan 0.000 0.552 408 V N -1.035 118.859 119.914 -0.033 0.000 2.656 408 V HA 0.574 4.696 4.120 0.003 0.000 0.307 408 V C -0.732 175.344 176.094 -0.029 0.000 1.051 408 V CA -0.953 61.338 62.300 -0.015 0.000 0.893 408 V CB 1.760 33.585 31.823 0.003 0.000 0.999 408 V HN 0.111 nan 8.190 nan 0.000 0.426 409 I N 5.126 125.696 120.570 -0.001 0.000 2.330 409 I HA 0.527 4.699 4.170 0.003 0.000 0.289 409 I C 1.311 177.455 176.117 0.044 0.000 1.001 409 I CA -0.630 60.672 61.300 0.004 0.000 1.193 409 I CB 1.713 39.726 38.000 0.022 0.000 1.345 409 I HN 0.689 nan 8.210 nan 0.000 0.461 410 R N 4.127 124.637 120.500 0.016 0.000 2.093 410 R HA 0.034 4.375 4.340 0.003 0.000 0.224 410 R C 1.445 177.781 176.300 0.060 0.000 1.101 410 R CA 0.957 57.071 56.100 0.023 0.000 0.979 410 R CB -0.049 30.230 30.300 -0.035 0.000 0.877 410 R HN 1.032 nan 8.270 nan 0.000 0.441 411 G N 1.217 110.062 108.800 0.075 0.000 2.143 411 G HA2 -0.322 3.640 3.960 0.003 0.000 0.248 411 G HA3 -0.322 3.640 3.960 0.003 0.000 0.248 411 G C 0.790 175.732 174.900 0.070 0.000 0.991 411 G CA 0.578 45.744 45.100 0.109 0.000 0.689 411 G HN 0.324 nan 8.290 nan 0.000 0.522 412 R N -0.743 119.772 120.500 0.024 0.000 2.193 412 R HA 0.160 4.502 4.340 0.003 0.000 0.229 412 R C 1.066 177.384 176.300 0.030 0.000 1.110 412 R CA 1.024 57.109 56.100 -0.026 0.000 0.988 412 R CB 0.062 30.325 30.300 -0.060 0.000 0.871 412 R HN 0.543 nan 8.270 nan 0.000 0.458 413 I N 0.989 121.623 120.570 0.106 0.000 2.569 413 I HA 0.315 4.486 4.170 0.003 0.000 0.296 413 I C -0.703 175.595 176.117 0.302 0.000 1.028 413 I CA -0.816 60.593 61.300 0.182 0.000 1.082 413 I CB 2.180 40.302 38.000 0.203 0.000 1.264 413 I HN -0.137 nan 8.210 nan 0.000 0.429 414 L N 4.367 125.717 121.223 0.212 0.000 2.386 414 L HA 0.426 4.767 4.340 0.003 0.000 0.271 414 L C -0.053 176.727 176.870 -0.150 0.000 0.993 414 L CA -0.827 54.073 54.840 0.100 0.000 0.819 414 L CB 1.785 43.859 42.059 0.025 0.000 1.294 414 L HN 0.563 nan 8.230 nan 0.000 0.414 415 H N 5.235 123.949 119.070 -0.593 0.000 3.046 415 H HA -0.009 4.548 4.556 0.003 0.000 0.303 415 H C 0.110 175.356 175.328 -0.137 0.000 1.002 415 H CA 0.875 56.523 56.048 -0.667 0.000 1.460 415 H CB 0.624 29.961 29.762 -0.707 0.000 1.493 415 H HN 0.682 nan 8.280 nan 0.000 0.559 416 N N 3.479 121.907 118.700 -0.454 0.000 2.741 416 N HA -0.183 4.558 4.740 0.003 0.000 0.251 416 N C 0.956 176.416 175.510 -0.083 0.000 1.112 416 N CA 1.221 54.161 53.050 -0.182 0.000 0.750 416 N CB -1.503 36.990 38.487 0.010 0.000 1.119 416 N HN 0.977 nan 8.380 nan 0.000 0.561 417 G N -1.577 107.164 108.800 -0.098 0.000 2.179 417 G HA2 -0.135 3.827 3.960 0.003 0.000 0.257 417 G HA3 -0.135 3.827 3.960 0.003 0.000 0.257 417 G C 0.783 175.608 174.900 -0.125 0.000 1.010 417 G CA 1.355 46.413 45.100 -0.070 0.000 0.736 417 G HN 1.138 nan 8.290 nan 0.000 0.513 418 A N -1.680 121.027 122.820 -0.188 0.000 1.878 418 A HA 0.646 4.967 4.320 0.003 0.000 0.201 418 A C 0.320 177.625 177.584 -0.466 0.000 1.684 418 A CA 0.498 52.269 52.037 -0.442 0.000 1.113 418 A CB 0.627 19.157 19.000 -0.783 0.000 1.131 418 A HN 0.629 nan 8.150 nan 0.000 0.472 419 Y N 0.845 121.145 120.300 0.000 0.000 2.341 419 Y HA 0.404 4.956 4.550 0.003 0.000 0.338 419 Y C 1.427 177.363 175.900 0.060 0.000 0.965 419 Y CA -0.118 58.000 58.100 0.029 0.000 1.108 419 Y CB 2.076 40.575 38.460 0.064 0.000 1.180 419 Y HN 0.232 nan 8.280 nan 0.000 0.458 420 S N 1.938 117.789 115.700 0.251 0.000 2.470 420 S HA 0.169 4.640 4.470 0.003 0.000 0.222 420 S C -0.131 174.621 174.600 0.253 0.000 1.024 420 S CA 0.067 58.419 58.200 0.253 0.000 0.931 420 S CB 0.400 63.725 63.200 0.207 0.000 0.791 420 S HN 0.467 nan 8.310 nan 0.000 0.513 421 L N 1.635 122.989 121.223 0.219 0.000 2.438 421 L HA 0.674 5.016 4.340 0.003 0.000 0.270 421 L C -1.643 175.263 176.870 0.061 0.000 0.972 421 L CA 0.154 55.077 54.840 0.138 0.000 0.831 421 L CB 2.236 44.377 42.059 0.137 0.000 1.273 421 L HN 0.047 nan 8.230 nan 0.000 0.405 422 T N 6.098 120.627 114.554 -0.042 0.000 2.928 422 T HA 0.661 5.013 4.350 0.003 0.000 0.296 422 T C -1.026 173.497 174.700 -0.295 0.000 1.000 422 T CA -0.341 61.643 62.100 -0.193 0.000 0.989 422 T CB 1.195 69.890 68.868 -0.287 0.000 1.005 422 T HN 0.464 nan 8.240 nan 0.000 0.442 423 L N 4.042 125.120 121.223 -0.241 0.000 2.404 423 L HA 0.665 5.006 4.340 0.003 0.000 0.272 423 L C -0.346 176.357 176.870 -0.279 0.000 0.980 423 L CA -0.908 53.775 54.840 -0.262 0.000 0.836 423 L CB 1.639 43.587 42.059 -0.186 0.000 1.238 423 L HN 0.657 nan 8.230 nan 0.000 0.408 424 Q N 1.684 121.283 119.800 -0.335 0.000 2.345 424 Q HA 0.651 4.992 4.340 0.003 0.000 0.275 424 Q C 0.237 176.100 176.000 -0.228 0.000 1.063 424 Q CA -0.506 55.063 55.803 -0.390 0.000 0.819 424 Q CB 2.354 30.750 28.738 -0.570 0.000 1.356 424 Q HN 0.729 nan 8.270 nan 0.000 0.418 425 G N 2.089 110.780 108.800 -0.181 0.000 2.338 425 G HA2 -0.226 3.736 3.960 0.003 0.000 0.296 425 G HA3 -0.226 3.736 3.960 0.003 0.000 0.296 425 G C 0.055 174.925 174.900 -0.050 0.000 1.040 425 G CA 0.700 45.745 45.100 -0.090 0.000 1.004 425 G HN 0.591 nan 8.290 nan 0.000 0.509 426 L N -0.850 120.340 121.223 -0.054 0.000 2.388 426 L HA 0.301 4.642 4.340 0.003 0.000 0.209 426 L C 2.519 179.405 176.870 0.027 0.000 1.061 426 L CA 0.913 55.744 54.840 -0.015 0.000 0.834 426 L CB -0.314 41.707 42.059 -0.062 0.000 1.029 426 L HN 1.071 nan 8.230 nan 0.000 0.473 427 G N 1.820 110.638 108.800 0.031 0.000 2.189 427 G HA2 -0.314 3.647 3.960 0.003 0.000 0.267 427 G HA3 -0.314 3.647 3.960 0.003 0.000 0.267 427 G C 0.514 175.485 174.900 0.119 0.000 0.975 427 G CA 0.581 45.768 45.100 0.145 0.000 0.644 427 G HN 0.476 nan 8.290 nan 0.000 0.537 428 I N -1.289 119.295 120.570 0.024 0.000 2.754 428 I HA 0.547 4.719 4.170 0.003 0.000 0.285 428 I C 1.289 177.386 176.117 -0.032 0.000 1.166 428 I CA 0.303 61.558 61.300 -0.075 0.000 1.417 428 I CB 0.876 38.765 38.000 -0.185 0.000 1.382 428 I HN -0.092 nan 8.210 nan 0.000 0.588 429 S N 3.086 118.706 115.700 -0.132 0.000 2.470 429 S HA 0.150 4.622 4.470 0.003 0.000 0.222 429 S C -0.174 174.647 174.600 0.368 0.000 1.024 429 S CA 0.208 58.470 58.200 0.102 0.000 0.931 429 S CB -0.161 63.134 63.200 0.159 0.000 0.791 429 S HN 0.859 nan 8.310 nan 0.000 0.513 430 W N -1.232 120.171 121.300 0.171 0.000 3.018 430 W HA 0.671 5.332 4.660 0.001 0.000 0.382 430 W C -0.243 176.337 176.519 0.101 0.000 1.161 430 W CA -0.895 56.572 57.345 0.202 0.000 1.144 430 W CB 0.084 29.611 29.460 0.113 0.000 1.499 430 W HN -0.245 nan 8.180 nan 0.000 0.596 431 L N 0.799 122.259 121.223 0.396 0.000 2.194 431 L HA 0.403 4.744 4.340 0.003 0.000 0.197 431 L C 1.897 178.882 176.870 0.191 0.000 1.106 431 L CA 0.918 55.906 54.840 0.247 0.000 0.785 431 L CB -0.881 41.436 42.059 0.429 0.000 0.960 431 L HN 1.129 nan 8.230 nan 0.000 0.465 432 G N 0.258 109.241 108.800 0.305 0.000 2.141 432 G HA2 -0.255 3.707 3.960 0.003 0.000 0.242 432 G HA3 -0.255 3.707 3.960 0.003 0.000 0.242 432 G C 0.316 175.134 174.900 -0.136 0.000 0.982 432 G CA -0.056 45.139 45.100 0.159 0.000 0.662 432 G HN 0.197 nan 8.290 nan 0.000 0.527 433 L N 1.237 122.240 121.223 -0.367 0.000 2.437 433 L HA 0.250 4.592 4.340 0.003 0.000 0.243 433 L C 2.152 178.150 176.870 -1.453 0.000 1.346 433 L CA 0.178 54.577 54.840 -0.736 0.000 1.233 433 L CB -0.235 41.396 42.059 -0.714 0.000 1.436 433 L HN 0.473 nan 8.230 nan 0.000 0.416 434 R N -1.791 118.180 120.500 -0.882 0.000 2.236 434 R HA -0.002 4.339 4.340 0.003 0.000 0.208 434 R C 1.333 177.333 176.300 -0.500 0.000 1.036 434 R CA 0.813 56.422 56.100 -0.817 0.000 1.001 434 R CB -0.188 29.954 30.300 -0.263 0.000 0.896 434 R HN 0.267 nan 8.270 nan 0.000 0.464 435 S N 0.729 116.186 115.700 -0.406 0.000 2.535 435 S HA 0.112 4.584 4.470 0.003 0.000 0.214 435 S C 0.263 174.736 174.600 -0.212 0.000 0.980 435 S CA -0.511 57.558 58.200 -0.217 0.000 0.907 435 S CB 0.125 63.245 63.200 -0.133 0.000 0.790 435 S HN 0.182 nan 8.310 nan 0.000 0.510 436 L N 4.391 125.384 121.223 -0.383 0.000 2.530 436 L HA 0.156 4.498 4.340 0.003 0.000 0.273 436 L C 1.092 177.938 176.870 -0.039 0.000 1.141 436 L CA 0.341 55.035 54.840 -0.242 0.000 0.905 436 L CB 0.140 41.967 42.059 -0.387 0.000 1.202 436 L HN 0.193 nan 8.230 nan 0.000 0.473 437 R N 2.722 123.214 120.500 -0.014 0.000 2.419 437 R HA 0.345 4.686 4.340 0.003 0.000 0.235 437 R C -0.016 176.292 176.300 0.013 0.000 0.899 437 R CA -0.235 55.873 56.100 0.013 0.000 1.048 437 R CB 0.416 30.719 30.300 0.006 0.000 1.182 437 R HN 0.584 nan 8.270 nan 0.000 0.544 438 E N 1.236 121.453 120.200 0.029 0.000 2.321 438 E HA 0.304 4.656 4.350 0.003 0.000 0.278 438 E C -1.555 175.103 176.600 0.096 0.000 0.902 438 E CA -0.731 55.707 56.400 0.063 0.000 0.758 438 E CB 2.008 31.762 29.700 0.090 0.000 1.213 438 E HN 0.134 nan 8.360 nan 0.000 0.426 439 L N 4.859 126.173 121.223 0.152 0.000 2.313 439 L HA 0.376 4.717 4.340 0.003 0.000 0.273 439 L C 1.334 178.357 176.870 0.255 0.000 1.028 439 L CA -0.448 54.526 54.840 0.223 0.000 0.871 439 L CB 1.308 43.575 42.059 0.346 0.000 1.242 439 L HN 0.962 nan 8.230 nan 0.000 0.434 440 G N 2.303 111.230 108.800 0.211 0.000 2.529 440 G HA2 -0.219 3.742 3.960 0.003 0.000 0.219 440 G HA3 -0.219 3.742 3.960 0.003 0.000 0.219 440 G C 0.667 175.728 174.900 0.267 0.000 1.177 440 G CA 1.192 46.449 45.100 0.261 0.000 0.773 440 G HN 0.601 nan 8.290 nan 0.000 0.573 441 S N -2.984 112.831 115.700 0.193 0.000 2.776 441 S HA 0.688 5.160 4.470 0.003 0.000 0.292 441 S C -0.142 174.530 174.600 0.121 0.000 1.187 441 S CA 0.372 58.667 58.200 0.158 0.000 0.834 441 S CB 1.565 64.849 63.200 0.139 0.000 1.199 441 S HN 2.086 nan 8.310 nan 0.000 0.514 442 G N -0.387 108.443 108.800 0.050 0.000 2.712 442 G HA2 0.038 4.000 3.960 0.003 0.000 0.686 442 G HA3 0.038 4.000 3.960 0.003 0.000 0.686 442 G C -1.085 173.800 174.900 -0.026 0.000 1.321 442 G CA -0.446 44.657 45.100 0.004 0.000 0.813 442 G HN 0.960 nan 8.290 nan 0.000 0.599 443 L N 0.713 121.886 121.223 -0.083 0.000 2.439 443 L HA 0.753 5.095 4.340 0.003 0.000 0.259 443 L C 1.090 178.052 176.870 0.153 0.000 1.129 443 L CA -0.067 54.721 54.840 -0.088 0.000 0.803 443 L CB 1.522 43.466 42.059 -0.192 0.000 1.161 443 L HN 1.272 nan 8.230 nan 0.000 0.462 444 A N 2.183 125.084 122.820 0.134 0.000 2.355 444 A HA 0.819 5.141 4.320 0.003 0.000 0.324 444 A C -1.444 176.165 177.584 0.041 0.000 1.117 444 A CA -0.424 51.695 52.037 0.137 0.000 0.785 444 A CB 1.539 20.607 19.000 0.113 0.000 1.254 444 A HN 0.492 nan 8.150 nan 0.000 0.453 445 L N 2.381 123.583 121.223 -0.035 0.000 2.482 445 L HA 0.724 5.066 4.340 0.003 0.000 0.269 445 L C -1.654 175.179 176.870 -0.062 0.000 0.967 445 L CA -0.043 54.733 54.840 -0.106 0.000 0.851 445 L CB 1.186 43.037 42.059 -0.347 0.000 1.242 445 L HN 0.590 nan 8.230 nan 0.000 0.404 446 I N 6.803 127.367 120.570 -0.010 0.000 2.503 446 I HA 0.475 4.646 4.170 0.003 0.000 0.282 446 I C -1.196 174.974 176.117 0.088 0.000 1.059 446 I CA -0.413 60.886 61.300 -0.002 0.000 1.081 446 I CB 1.122 39.081 38.000 -0.067 0.000 1.210 446 I HN 0.748 nan 8.210 nan 0.000 0.450 447 H N 4.615 123.622 119.070 -0.105 0.000 3.014 447 H HA 0.358 4.915 4.556 0.002 0.000 0.337 447 H C -0.314 174.970 175.328 -0.073 0.000 1.320 447 H CA -0.736 55.228 56.048 -0.141 0.000 1.128 447 H CB 1.105 30.753 29.762 -0.189 0.000 1.862 447 H HN 0.600 nan 8.280 nan 0.000 0.536 448 H N 0.303 119.309 119.070 -0.106 0.000 2.741 448 H HA -0.146 4.411 4.556 0.002 0.000 0.305 448 H C -0.710 174.516 175.328 -0.170 0.000 1.169 448 H CA 0.955 56.913 56.048 -0.151 0.000 1.144 448 H CB -1.561 28.086 29.762 -0.192 0.000 1.397 448 H HN 0.558 nan 8.280 nan 0.000 0.409 449 N N 1.006 119.660 118.700 -0.076 0.000 2.699 449 N HA 0.068 4.809 4.740 0.003 0.000 0.232 449 N C 0.997 176.450 175.510 -0.095 0.000 1.027 449 N CA -0.088 52.915 53.050 -0.078 0.000 0.920 449 N CB 1.112 39.562 38.487 -0.063 0.000 1.148 449 N HN 0.128 nan 8.380 nan 0.000 0.509 450 T N 0.246 114.687 114.554 -0.188 0.000 2.778 450 T HA -0.156 4.196 4.350 0.003 0.000 0.269 450 T C 0.766 175.279 174.700 -0.312 0.000 1.050 450 T CA 1.515 63.429 62.100 -0.309 0.000 1.137 450 T CB -0.134 68.427 68.868 -0.512 0.000 0.860 450 T HN 0.610 nan 8.240 nan 0.000 0.468 451 H N -0.944 118.142 119.070 0.027 0.000 2.542 451 H HA 0.414 4.971 4.556 0.002 0.000 0.283 451 H C -0.287 175.082 175.328 0.069 0.000 1.059 451 H CA -0.644 55.430 56.048 0.043 0.000 1.162 451 H CB 0.268 30.052 29.762 0.037 0.000 1.539 451 H HN 0.107 nan 8.280 nan 0.000 0.543 452 L N 1.510 122.807 121.223 0.123 0.000 2.260 452 L HA 0.271 4.613 4.340 0.003 0.000 0.289 452 L C -0.438 176.523 176.870 0.151 0.000 1.057 452 L CA -0.189 54.736 54.840 0.143 0.000 0.811 452 L CB -0.124 41.986 42.059 0.086 0.000 1.184 452 L HN 0.253 nan 8.230 nan 0.000 0.429 453 c N 3.305 122.047 118.600 0.236 0.000 2.547 453 c HA 0.514 5.085 4.570 0.003 0.000 0.411 453 c C 0.482 174.746 174.090 0.290 0.000 1.424 453 c CA -0.538 55.866 56.329 0.125 0.000 1.848 453 c CB 0.687 43.168 42.510 -0.048 0.000 2.062 453 c HN 0.903 nan 8.230 nan 0.000 0.504 454 F N -0.782 119.247 119.950 0.133 0.000 3.018 454 F HA -0.208 4.321 4.527 0.003 0.000 0.287 454 F C 1.032 176.897 175.800 0.109 0.000 0.813 454 F CA 0.362 58.424 58.000 0.103 0.000 1.209 454 F CB -1.731 37.356 39.000 0.146 0.000 1.321 454 F HN 0.368 nan 8.300 nan 0.000 0.477 455 V N -1.206 118.853 119.914 0.242 0.000 2.500 455 V HA -0.193 3.929 4.120 0.003 0.000 0.243 455 V C 2.232 178.521 176.094 0.325 0.000 1.039 455 V CA 2.140 64.613 62.300 0.290 0.000 1.053 455 V CB -0.457 31.453 31.823 0.144 0.000 0.695 455 V HN 0.642 nan 8.190 nan 0.000 0.463 456 H N 0.980 120.086 119.070 0.060 0.000 2.457 456 H HA -0.128 4.429 4.556 0.002 0.000 0.294 456 H C 2.249 177.591 175.328 0.023 0.000 1.064 456 H CA 1.725 57.791 56.048 0.030 0.000 1.330 456 H CB 0.341 30.085 29.762 -0.029 0.000 1.395 456 H HN 0.604 nan 8.280 nan 0.000 0.541 457 T N -1.434 113.101 114.554 -0.032 0.000 3.088 457 T HA 0.086 4.437 4.350 0.003 0.000 0.259 457 T C 0.790 175.334 174.700 -0.259 0.000 1.122 457 T CA -0.058 61.974 62.100 -0.114 0.000 1.095 457 T CB -0.297 68.591 68.868 0.034 0.000 0.930 457 T HN -0.064 nan 8.240 nan 0.000 0.508 458 V N 4.616 124.241 119.914 -0.480 0.000 2.530 458 V HA 0.315 4.436 4.120 0.003 0.000 0.282 458 V C -1.984 173.453 176.094 -1.095 0.000 1.048 458 V CA -2.009 59.614 62.300 -1.129 0.000 0.997 458 V CB 1.121 31.859 31.823 -1.807 0.000 0.987 458 V HN 0.279 nan 8.190 nan 0.000 0.477 459 P HA 0.103 nan 4.420 nan 0.000 0.238 459 P C 0.306 177.189 177.300 -0.694 0.000 1.794 459 P CA -0.245 62.358 63.100 -0.827 0.000 1.088 459 P CB -0.037 31.051 31.700 -1.021 0.000 1.923 460 W N 1.560 122.638 121.300 -0.371 0.000 2.318 460 W HA -0.239 4.422 4.660 0.002 0.000 0.313 460 W C 2.142 178.298 176.519 -0.603 0.000 1.221 460 W CA 1.593 58.635 57.345 -0.506 0.000 1.266 460 W CB -1.322 27.982 29.460 -0.260 0.000 1.150 460 W HN 0.242 nan 8.180 nan 0.000 0.496 461 D N 0.192 120.578 120.400 -0.023 0.000 2.192 461 D HA -0.310 4.332 4.640 0.003 0.000 0.189 461 D C 1.925 178.182 176.300 -0.071 0.000 1.007 461 D CA 2.484 56.509 54.000 0.040 0.000 0.859 461 D CB -0.336 40.479 40.800 0.024 0.000 0.936 461 D HN 0.254 nan 8.370 nan 0.000 0.447 462 Q N -1.341 118.346 119.800 -0.189 0.000 2.224 462 Q HA -0.065 4.277 4.340 0.003 0.000 0.203 462 Q C 1.942 177.844 176.000 -0.163 0.000 0.970 462 Q CA 0.478 56.181 55.803 -0.168 0.000 0.865 462 Q CB 0.104 28.710 28.738 -0.220 0.000 0.922 462 Q HN 0.324 nan 8.270 nan 0.000 0.445 463 L N -0.893 120.162 121.223 -0.279 0.000 2.209 463 L HA 0.032 4.373 4.340 0.003 0.000 0.207 463 L C 0.548 177.342 176.870 -0.127 0.000 1.094 463 L CA 1.033 55.734 54.840 -0.233 0.000 0.790 463 L CB -0.224 41.653 42.059 -0.303 0.000 0.932 463 L HN 0.042 nan 8.230 nan 0.000 0.447 464 F N -1.018 118.978 119.950 0.076 0.000 2.435 464 F HA 0.153 4.681 4.527 0.002 0.000 0.316 464 F C 1.623 177.419 175.800 -0.007 0.000 1.220 464 F CA -0.394 57.639 58.000 0.056 0.000 1.241 464 F CB 0.394 39.427 39.000 0.055 0.000 1.234 464 F HN -0.206 nan 8.300 nan 0.000 0.569 465 R N -0.001 120.618 120.500 0.197 0.000 2.576 465 R HA 0.142 4.483 4.340 0.003 0.000 0.237 465 R C -0.827 175.421 176.300 -0.087 0.000 0.917 465 R CA -0.018 56.049 56.100 -0.054 0.000 1.002 465 R CB -0.223 29.983 30.300 -0.157 0.000 1.428 465 R HN 0.804 nan 8.270 nan 0.000 0.603 466 N N -0.128 118.583 118.700 0.018 0.000 2.405 466 N HA 0.336 5.077 4.740 0.003 0.000 0.285 466 N C -2.465 173.032 175.510 -0.021 0.000 1.262 466 N CA -1.306 51.749 53.050 0.009 0.000 0.773 466 N CB 2.167 40.704 38.487 0.084 0.000 1.490 466 N HN -0.334 nan 8.380 nan 0.000 0.486 467 P HA 0.084 nan 4.420 nan 0.000 0.255 467 P C -0.267 176.880 177.300 -0.254 0.000 1.248 467 P CA 0.646 63.651 63.100 -0.158 0.000 0.807 467 P CB -0.026 31.562 31.700 -0.187 0.000 1.150 468 H N -0.459 118.571 119.070 -0.068 0.000 2.526 468 H HA 0.233 4.790 4.556 0.002 0.000 0.274 468 H C 0.537 175.745 175.328 -0.200 0.000 0.999 468 H CA 0.234 56.222 56.048 -0.101 0.000 1.157 468 H CB 0.365 30.065 29.762 -0.103 0.000 1.407 468 H HN 0.397 nan 8.280 nan 0.000 0.568 469 Q N 0.308 119.969 119.800 -0.232 0.000 2.215 469 Q HA 0.724 5.066 4.340 0.003 0.000 0.256 469 Q C -0.537 174.956 176.000 -0.844 0.000 0.972 469 Q CA -0.835 54.617 55.803 -0.584 0.000 0.889 469 Q CB 2.807 31.075 28.738 -0.782 0.000 1.281 469 Q HN 0.240 nan 8.270 nan 0.000 0.456 470 A N 1.050 123.230 122.820 -1.068 0.000 2.544 470 A HA 0.469 4.790 4.320 0.003 0.000 0.291 470 A C -2.097 175.256 177.584 -0.386 0.000 1.055 470 A CA -0.688 50.896 52.037 -0.756 0.000 0.651 470 A CB 1.291 19.695 19.000 -0.993 0.000 1.296 470 A HN 0.535 nan 8.150 nan 0.000 0.431 471 L N 1.883 123.043 121.223 -0.105 0.000 2.298 471 L HA 0.625 4.967 4.340 0.003 0.000 0.284 471 L C -1.441 175.375 176.870 -0.089 0.000 1.013 471 L CA -0.459 54.300 54.840 -0.135 0.000 0.824 471 L CB 0.382 42.173 42.059 -0.447 0.000 1.221 471 L HN 0.696 nan 8.230 nan 0.000 0.418 472 L N 5.840 127.004 121.223 -0.098 0.000 2.289 472 L HA 0.501 4.842 4.340 0.003 0.000 0.285 472 L C -0.721 176.111 176.870 -0.063 0.000 1.049 472 L CA -0.597 54.180 54.840 -0.104 0.000 0.804 472 L CB 1.270 43.276 42.059 -0.088 0.000 1.195 472 L HN 0.707 nan 8.230 nan 0.000 0.428 473 H N -0.275 118.712 119.070 -0.138 0.000 3.085 473 H HA 0.775 5.333 4.556 0.002 0.000 0.356 473 H C -1.061 174.205 175.328 -0.103 0.000 1.178 473 H CA -0.834 55.143 56.048 -0.118 0.000 1.214 473 H CB 2.045 31.731 29.762 -0.128 0.000 1.881 473 H HN 0.455 nan 8.280 nan 0.000 0.538 474 T N 1.389 115.913 114.554 -0.049 0.000 2.907 474 T HA 0.491 4.842 4.350 0.003 0.000 0.344 474 T C -0.679 173.929 174.700 -0.154 0.000 1.675 474 T CA 0.354 62.380 62.100 -0.124 0.000 1.076 474 T CB 0.547 69.299 68.868 -0.193 0.000 1.483 474 T HN 2.030 nan 8.240 nan 0.000 0.487 475 A N 2.597 125.326 122.820 -0.151 0.000 2.791 475 A HA -0.142 4.180 4.320 0.003 0.000 0.292 475 A C 0.474 177.987 177.584 -0.119 0.000 1.487 475 A CA 1.315 53.243 52.037 -0.180 0.000 0.760 475 A CB -2.394 16.340 19.000 -0.443 0.000 1.031 475 A HN 0.780 nan 8.150 nan 0.000 0.503 476 N N -0.676 117.994 118.700 -0.049 0.000 2.752 476 N HA 0.378 5.119 4.740 0.003 0.000 0.316 476 N C 0.506 176.005 175.510 -0.018 0.000 1.343 476 N CA -0.638 52.397 53.050 -0.026 0.000 0.875 476 N CB 0.285 38.778 38.487 0.009 0.000 1.120 476 N HN 0.594 nan 8.380 nan 0.000 0.562 477 R N 1.133 121.636 120.500 0.005 0.000 2.340 477 R HA 0.263 4.605 4.340 0.003 0.000 0.300 477 R C -2.241 174.060 176.300 0.001 0.000 1.069 477 R CA -1.106 55.001 56.100 0.013 0.000 0.984 477 R CB 0.187 30.517 30.300 0.050 0.000 1.003 477 R HN 0.288 nan 8.270 nan 0.000 0.459 478 P HA -0.082 nan 4.420 nan 0.000 0.266 478 P C 0.016 177.299 177.300 -0.027 0.000 1.195 478 P CA 0.037 63.128 63.100 -0.016 0.000 0.768 478 P CB 0.695 32.389 31.700 -0.011 0.000 0.838 479 E N 2.023 122.196 120.200 -0.045 0.000 2.106 479 E HA -0.207 4.144 4.350 0.003 0.000 0.192 479 E C 1.153 177.722 176.600 -0.052 0.000 0.984 479 E CA 1.448 57.813 56.400 -0.059 0.000 0.806 479 E CB -0.061 29.589 29.700 -0.083 0.000 0.750 479 E HN 0.577 nan 8.360 nan 0.000 0.458 480 D N -0.168 120.208 120.400 -0.040 0.000 2.347 480 D HA -0.112 4.530 4.640 0.003 0.000 0.213 480 D C 1.576 177.859 176.300 -0.027 0.000 0.985 480 D CA 0.478 54.458 54.000 -0.033 0.000 0.879 480 D CB -0.144 40.641 40.800 -0.026 0.000 0.919 480 D HN 0.166 nan 8.370 nan 0.000 0.526 481 E N -0.428 119.759 120.200 -0.022 0.000 2.072 481 E HA -0.097 4.255 4.350 0.003 0.000 0.190 481 E C 1.762 178.352 176.600 -0.016 0.000 0.982 481 E CA 1.066 57.460 56.400 -0.009 0.000 0.803 481 E CB 0.039 29.742 29.700 0.005 0.000 0.755 481 E HN 0.286 nan 8.360 nan 0.000 0.453 482 c N -0.026 118.550 118.600 -0.040 0.000 2.429 482 c HA -0.123 4.448 4.570 0.003 0.000 0.277 482 c C 2.781 176.817 174.090 -0.090 0.000 1.262 482 c CA 0.908 57.192 56.329 -0.076 0.000 1.733 482 c CB -1.042 41.374 42.510 -0.157 0.000 2.010 482 c HN 0.517 nan 8.230 nan 0.000 0.483 483 V N 1.233 121.098 119.914 -0.083 0.000 2.427 483 V HA 0.069 4.190 4.120 0.003 0.000 0.248 483 V C 2.290 178.359 176.094 -0.042 0.000 1.051 483 V CA 2.449 64.707 62.300 -0.071 0.000 1.048 483 V CB -1.595 30.192 31.823 -0.061 0.000 0.666 483 V HN 0.419 nan 8.190 nan 0.000 0.456 484 G N -0.292 108.491 108.800 -0.029 0.000 2.450 484 G HA2 -0.264 3.698 3.960 0.003 0.000 0.220 484 G HA3 -0.264 3.698 3.960 0.003 0.000 0.220 484 G C 1.421 176.316 174.900 -0.008 0.000 1.130 484 G CA 0.950 46.040 45.100 -0.015 0.000 0.760 484 G HN 0.621 nan 8.290 nan 0.000 0.557 485 E N -0.567 119.630 120.200 -0.006 0.000 2.463 485 E HA 0.339 4.690 4.350 0.003 0.000 0.193 485 E C 1.641 178.247 176.600 0.009 0.000 1.041 485 E CA 0.308 56.714 56.400 0.010 0.000 0.879 485 E CB -0.104 29.613 29.700 0.028 0.000 0.997 485 E HN 0.326 nan 8.360 nan 0.000 0.478 486 G N 0.995 109.789 108.800 -0.010 0.000 2.168 486 G HA2 -0.305 3.657 3.960 0.003 0.000 0.257 486 G HA3 -0.305 3.657 3.960 0.003 0.000 0.257 486 G C 0.252 175.154 174.900 0.004 0.000 0.997 486 G CA 0.224 45.318 45.100 -0.010 0.000 0.708 486 G HN 0.295 nan 8.290 nan 0.000 0.520 487 L N 0.727 121.936 121.223 -0.023 0.000 2.423 487 L HA 0.603 4.945 4.340 0.003 0.000 0.249 487 L C 0.970 177.614 176.870 -0.377 0.000 1.276 487 L CA 0.350 55.163 54.840 -0.046 0.000 1.199 487 L CB -0.172 41.867 42.059 -0.033 0.000 1.407 487 L HN 0.483 nan 8.230 nan 0.000 0.410 488 A N -0.036 122.720 122.820 -0.106 0.000 2.507 488 A HA 0.641 4.963 4.320 0.003 0.000 0.284 488 A C -0.668 177.060 177.584 0.241 0.000 1.281 488 A CA -0.521 51.448 52.037 -0.114 0.000 0.744 488 A CB 0.845 19.782 19.000 -0.105 0.000 1.332 488 A HN 0.300 nan 8.150 nan 0.000 0.454 489 c N 1.029 119.725 118.600 0.160 0.000 2.605 489 c HA 0.366 4.938 4.570 0.003 0.000 0.404 489 c C 0.878 175.021 174.090 0.088 0.000 1.284 489 c CA -0.210 56.214 56.329 0.158 0.000 2.199 489 c CB -0.824 41.721 42.510 0.059 0.000 2.647 489 c HN 0.778 nan 8.230 nan 0.000 0.604 490 H N 2.212 121.282 119.070 0.000 0.000 2.871 490 H HA -0.030 4.528 4.556 0.003 0.000 0.355 490 H C 1.284 176.592 175.328 -0.032 0.000 1.092 490 H CA 0.882 56.916 56.048 -0.023 0.000 1.420 490 H CB 0.690 30.427 29.762 -0.041 0.000 1.400 490 H HN 0.740 nan 8.280 nan 0.000 0.604 491 Q N 2.576 122.141 119.800 -0.391 0.000 2.188 491 Q HA -0.248 4.093 4.340 0.003 0.000 0.217 491 Q C 1.639 177.642 176.000 0.005 0.000 1.018 491 Q CA 1.825 57.511 55.803 -0.195 0.000 0.910 491 Q CB 0.015 28.595 28.738 -0.263 0.000 0.979 491 Q HN 0.504 nan 8.270 nan 0.000 0.413 492 L N -0.496 120.865 121.223 0.230 0.000 2.592 492 L HA 0.045 4.386 4.340 0.003 0.000 0.227 492 L C 0.218 177.125 176.870 0.061 0.000 1.127 492 L CA 0.253 55.187 54.840 0.157 0.000 0.884 492 L CB 0.086 42.266 42.059 0.202 0.000 1.065 492 L HN 0.145 nan 8.230 nan 0.000 0.457 493 c N 1.449 120.081 118.600 0.053 0.000 2.464 493 c HA 0.632 5.204 4.570 0.003 0.000 0.370 493 c C 1.263 175.326 174.090 -0.045 0.000 1.267 493 c CA -1.684 54.643 56.329 -0.003 0.000 1.781 493 c CB -0.786 41.724 42.510 0.001 0.000 2.431 493 c HN 0.510 nan 8.230 nan 0.000 0.556 494 A N 4.289 127.079 122.820 -0.050 0.000 2.587 494 A HA 0.204 4.525 4.320 0.003 0.000 0.235 494 A C 1.335 178.853 177.584 -0.110 0.000 1.044 494 A CA 0.377 52.374 52.037 -0.066 0.000 0.754 494 A CB 0.107 19.078 19.000 -0.049 0.000 0.968 494 A HN 0.961 nan 8.150 nan 0.000 0.509 495 R N 0.802 121.214 120.500 -0.147 0.000 3.932 495 R HA -0.245 4.097 4.340 0.003 0.000 0.318 495 R C 1.125 177.109 176.300 -0.528 0.000 1.219 495 R CA 1.705 57.645 56.100 -0.268 0.000 0.889 495 R CB -2.220 27.969 30.300 -0.186 0.000 1.309 495 R HN 2.541 nan 8.270 nan 0.000 0.537 496 G N 0.485 109.075 108.800 -0.350 0.000 2.225 496 G HA2 -0.316 3.646 3.960 0.003 0.000 0.267 496 G HA3 -0.316 3.646 3.960 0.003 0.000 0.267 496 G C -0.111 174.557 174.900 -0.386 0.000 1.024 496 G CA 0.851 45.757 45.100 -0.324 0.000 0.784 496 G HN 0.577 nan 8.290 nan 0.000 0.507 497 H N -0.481 118.502 119.070 -0.146 0.000 2.467 497 H HA 0.689 5.247 4.556 0.003 0.000 0.326 497 H C 0.742 175.948 175.328 -0.204 0.000 1.094 497 H CA 0.063 55.977 56.048 -0.224 0.000 1.253 497 H CB 1.367 30.969 29.762 -0.267 0.000 1.439 497 H HN 0.888 nan 8.280 nan 0.000 0.479 498 c N 0.588 119.103 118.600 -0.143 0.000 3.295 498 c HA 0.360 4.932 4.570 0.003 0.000 0.341 498 c C -0.298 173.601 174.090 -0.319 0.000 1.418 498 c CA -1.015 55.225 56.329 -0.148 0.000 1.240 498 c CB 0.688 43.178 42.510 -0.034 0.000 1.562 498 c HN 0.931 nan 8.230 nan 0.000 0.457 499 W N 1.087 122.289 121.300 -0.163 0.000 3.127 499 W HA 0.567 5.228 4.660 0.002 0.000 0.344 499 W C 1.115 177.422 176.519 -0.352 0.000 1.151 499 W CA 0.827 58.079 57.345 -0.155 0.000 1.765 499 W CB 0.833 30.222 29.460 -0.118 0.000 1.085 499 W HN 1.394 nan 8.180 nan 0.000 0.596 500 G N -0.241 108.106 108.800 -0.755 0.000 2.323 500 G HA2 0.238 4.199 3.960 0.003 0.000 0.291 500 G HA3 0.238 4.199 3.960 0.003 0.000 0.291 500 G C -3.266 170.634 174.900 -1.667 0.000 1.278 500 G CA -1.056 42.952 45.100 -1.820 0.000 0.860 500 G HN -0.422 nan 8.290 nan 0.000 0.504 501 P HA 0.572 nan 4.420 nan 0.000 0.290 501 P C 0.510 177.553 177.300 -0.428 0.000 1.276 501 P CA 1.073 63.797 63.100 -0.627 0.000 0.808 501 P CB 1.371 32.692 31.700 -0.631 0.000 0.966 502 G N 4.165 112.872 108.800 -0.156 0.000 2.655 502 G HA2 -0.098 3.864 3.960 0.003 0.000 0.680 502 G HA3 -0.098 3.864 3.960 0.003 0.000 0.680 502 G C -2.529 172.265 174.900 -0.177 0.000 1.302 502 G CA -0.511 44.533 45.100 -0.093 0.000 0.872 502 G HN 0.411 nan 8.290 nan 0.000 0.540 503 P HA 0.137 nan 4.420 nan 0.000 0.256 503 P C 1.116 178.276 177.300 -0.233 0.000 1.384 503 P CA 1.387 64.209 63.100 -0.464 0.000 0.879 503 P CB -0.016 31.238 31.700 -0.743 0.000 1.403 504 T N -4.998 109.455 114.554 -0.168 0.000 3.134 504 T HA 0.187 4.538 4.350 0.003 0.000 0.260 504 T C 1.137 175.790 174.700 -0.078 0.000 1.027 504 T CA 0.008 62.045 62.100 -0.106 0.000 0.913 504 T CB -0.179 68.640 68.868 -0.082 0.000 1.046 504 T HN -0.141 nan 8.240 nan 0.000 0.553 505 Q N 0.282 120.028 119.800 -0.089 0.000 2.189 505 Q HA 0.295 4.636 4.340 0.003 0.000 0.223 505 Q C 0.385 176.414 176.000 0.049 0.000 0.828 505 Q CA -0.120 55.660 55.803 -0.038 0.000 0.967 505 Q CB 0.374 29.010 28.738 -0.170 0.000 1.139 505 Q HN 0.598 nan 8.270 nan 0.000 0.497 506 c N 0.480 119.087 118.600 0.012 0.000 2.652 506 c HA 0.169 4.740 4.570 0.003 0.000 0.412 506 c C 2.427 176.567 174.090 0.084 0.000 1.294 506 c CA -0.599 55.747 56.329 0.029 0.000 2.127 506 c CB 0.319 42.825 42.510 -0.007 0.000 2.691 506 c HN 0.145 nan 8.230 nan 0.000 0.615 507 V N 1.952 121.909 119.914 0.071 0.000 2.283 507 V HA -0.043 4.078 4.120 0.003 0.000 0.243 507 V C 0.935 177.053 176.094 0.040 0.000 1.039 507 V CA 1.704 64.056 62.300 0.087 0.000 1.016 507 V CB -0.395 31.429 31.823 0.001 0.000 0.650 507 V HN 0.805 nan 8.190 nan 0.000 0.449 508 N N -1.309 117.399 118.700 0.014 0.000 2.238 508 N HA 0.318 5.060 4.740 0.003 0.000 0.302 508 N C -1.164 174.325 175.510 -0.034 0.000 1.072 508 N CA -0.271 52.771 53.050 -0.013 0.000 0.792 508 N CB 2.239 40.716 38.487 -0.017 0.000 1.425 508 N HN 0.306 nan 8.380 nan 0.000 0.478 509 c N 1.141 119.703 118.600 -0.063 0.000 2.463 509 c HA 0.302 4.873 4.570 0.003 0.000 0.380 509 c C 2.121 176.147 174.090 -0.106 0.000 1.264 509 c CA -0.076 56.203 56.329 -0.083 0.000 2.161 509 c CB 0.422 42.865 42.510 -0.112 0.000 2.515 509 c HN 0.814 nan 8.230 nan 0.000 0.565 510 S N 1.189 116.837 115.700 -0.088 0.000 2.406 510 S HA -0.025 4.447 4.470 0.003 0.000 0.224 510 S C 1.644 176.148 174.600 -0.161 0.000 1.030 510 S CA 1.175 59.317 58.200 -0.097 0.000 0.958 510 S CB -0.052 63.117 63.200 -0.052 0.000 0.811 510 S HN 0.885 nan 8.310 nan 0.000 0.489 511 Q N -1.060 118.640 119.800 -0.167 0.000 2.505 511 Q HA 0.418 4.760 4.340 0.003 0.000 0.184 511 Q C -0.527 175.095 176.000 -0.630 0.000 0.878 511 Q CA 0.542 56.178 55.803 -0.278 0.000 0.811 511 Q CB 0.106 28.875 28.738 0.051 0.000 1.118 511 Q HN 0.402 nan 8.270 nan 0.000 0.605 512 F N -0.331 119.564 119.950 -0.092 0.000 2.626 512 F HA 0.499 5.027 4.527 0.002 0.000 0.311 512 F C -0.765 174.936 175.800 -0.165 0.000 1.088 512 F CA -0.799 57.120 58.000 -0.134 0.000 0.949 512 F CB 1.527 40.468 39.000 -0.098 0.000 1.322 512 F HN -0.079 nan 8.300 nan 0.000 0.461 513 L N 1.804 122.988 121.223 -0.064 0.000 2.322 513 L HA 0.606 4.948 4.340 0.003 0.000 0.281 513 L C -0.423 176.444 176.870 -0.005 0.000 1.014 513 L CA -0.670 54.109 54.840 -0.100 0.000 0.815 513 L CB 2.027 43.937 42.059 -0.249 0.000 1.247 513 L HN 0.534 nan 8.230 nan 0.000 0.421 514 R N 2.555 123.059 120.500 0.006 0.000 2.287 514 R HA 0.548 4.890 4.340 0.003 0.000 0.316 514 R C 0.635 176.947 176.300 0.021 0.000 1.050 514 R CA 0.579 56.686 56.100 0.012 0.000 0.983 514 R CB 0.564 30.854 30.300 -0.017 0.000 1.140 514 R HN 0.836 nan 8.270 nan 0.000 0.528 515 G N 2.541 111.377 108.800 0.059 0.000 2.595 515 G HA2 -0.363 3.598 3.960 0.003 0.000 0.297 515 G HA3 -0.363 3.598 3.960 0.003 0.000 0.297 515 G C 0.462 175.398 174.900 0.060 0.000 1.181 515 G CA 0.296 45.426 45.100 0.050 0.000 0.963 515 G HN 0.549 nan 8.290 nan 0.000 0.541 516 Q N 1.289 121.101 119.800 0.019 0.000 2.319 516 Q HA 0.230 4.571 4.340 0.003 0.000 0.209 516 Q C 0.997 176.982 176.000 -0.025 0.000 0.884 516 Q CA 0.413 56.219 55.803 0.006 0.000 0.938 516 Q CB 0.847 29.582 28.738 -0.005 0.000 1.098 516 Q HN 0.741 nan 8.270 nan 0.000 0.517 517 E N 0.656 120.835 120.200 -0.035 0.000 2.200 517 E HA 0.117 4.469 4.350 0.003 0.000 0.283 517 E C -1.040 175.516 176.600 -0.072 0.000 1.015 517 E CA -0.253 56.106 56.400 -0.068 0.000 0.819 517 E CB 1.104 30.764 29.700 -0.068 0.000 1.081 517 E HN 0.043 nan 8.360 nan 0.000 0.397 518 c N 6.085 124.620 118.600 -0.107 0.000 2.482 518 c HA 0.453 5.024 4.570 0.003 0.000 0.378 518 c C -0.087 173.956 174.090 -0.078 0.000 1.284 518 c CA -0.380 55.894 56.329 -0.093 0.000 1.826 518 c CB -1.296 41.148 42.510 -0.109 0.000 2.473 518 c HN 0.492 nan 8.230 nan 0.000 0.562 519 V N 3.647 123.558 119.914 -0.005 0.000 2.962 519 V HA 0.587 4.709 4.120 0.003 0.000 0.313 519 V C 0.456 176.610 176.094 0.101 0.000 1.099 519 V CA -0.527 61.788 62.300 0.025 0.000 0.971 519 V CB 1.781 33.609 31.823 0.008 0.000 1.028 519 V HN 0.818 nan 8.190 nan 0.000 0.430 520 E N 1.696 121.948 120.200 0.086 0.000 2.006 520 E HA -0.028 4.324 4.350 0.003 0.000 0.192 520 E C 0.540 177.232 176.600 0.152 0.000 0.993 520 E CA 1.659 58.129 56.400 0.116 0.000 0.808 520 E CB 0.218 29.961 29.700 0.072 0.000 0.764 520 E HN 0.829 nan 8.360 nan 0.000 0.449 521 E N -0.414 119.804 120.200 0.031 0.000 2.238 521 E HA 0.255 4.606 4.350 0.003 0.000 0.267 521 E C -0.571 175.915 176.600 -0.190 0.000 0.887 521 E CA -0.712 55.627 56.400 -0.101 0.000 0.769 521 E CB 1.642 31.293 29.700 -0.082 0.000 1.187 521 E HN 0.221 nan 8.360 nan 0.000 0.416 522 c N 0.946 119.306 118.600 -0.399 0.000 2.640 522 c HA 0.230 4.802 4.570 0.003 0.000 0.330 522 c C 1.043 175.015 174.090 -0.195 0.000 1.416 522 c CA -0.322 55.824 56.329 -0.305 0.000 2.396 522 c CB -0.236 42.025 42.510 -0.414 0.000 2.330 522 c HN 0.541 nan 8.230 nan 0.000 0.704 523 R N 0.511 120.922 120.500 -0.148 0.000 3.436 523 R HA 0.289 4.631 4.340 0.003 0.000 0.247 523 R C 0.428 176.668 176.300 -0.100 0.000 1.434 523 R CA -0.187 55.850 56.100 -0.104 0.000 1.543 523 R CB 0.254 30.509 30.300 -0.076 0.000 1.289 523 R HN 0.558 nan 8.270 nan 0.000 0.664 524 V N 0.932 120.779 119.914 -0.112 0.000 2.492 524 V HA -0.083 4.039 4.120 0.003 0.000 0.241 524 V C 1.712 177.757 176.094 -0.081 0.000 1.041 524 V CA 1.153 63.395 62.300 -0.098 0.000 1.057 524 V CB -0.083 31.678 31.823 -0.104 0.000 0.711 524 V HN 0.566 nan 8.190 nan 0.000 0.468 525 L N -0.233 120.948 121.223 -0.070 0.000 2.354 525 L HA 0.200 4.541 4.340 0.003 0.000 0.212 525 L C 0.918 177.760 176.870 -0.048 0.000 1.091 525 L CA 0.486 55.294 54.840 -0.054 0.000 0.828 525 L CB 0.002 42.036 42.059 -0.042 0.000 0.973 525 L HN 0.540 nan 8.230 nan 0.000 0.461 526 Q N -0.983 118.787 119.800 -0.050 0.000 2.630 526 Q HA 0.630 4.972 4.340 0.003 0.000 0.295 526 Q C -0.756 175.218 176.000 -0.044 0.000 0.944 526 Q CA -0.551 55.227 55.803 -0.042 0.000 0.766 526 Q CB 2.253 30.971 28.738 -0.034 0.000 1.471 526 Q HN -0.037 nan 8.270 nan 0.000 0.416 527 G N 0.058 108.837 108.800 -0.036 0.000 2.742 527 G HA2 -0.056 3.906 3.960 0.003 0.000 0.686 527 G HA3 -0.056 3.906 3.960 0.003 0.000 0.686 527 G C -0.197 174.684 174.900 -0.031 0.000 1.220 527 G CA -0.366 44.714 45.100 -0.034 0.000 0.783 527 G HN 0.665 nan 8.290 nan 0.000 0.646 528 L N 1.056 122.264 121.223 -0.025 0.000 1.952 528 L HA -0.013 4.328 4.340 0.003 0.000 0.231 528 L C -0.606 176.252 176.870 -0.020 0.000 1.088 528 L CA 2.057 56.885 54.840 -0.021 0.000 0.802 528 L CB -0.953 41.095 42.059 -0.017 0.000 0.903 528 L HN 0.548 nan 8.230 nan 0.000 0.439 529 P HA 0.173 nan 4.420 nan 0.000 0.287 529 P C -1.013 176.272 177.300 -0.025 0.000 1.307 529 P CA -0.236 62.853 63.100 -0.019 0.000 0.777 529 P CB 0.743 32.432 31.700 -0.019 0.000 0.883 530 R N 2.610 123.098 120.500 -0.020 0.000 2.490 530 R HA 0.332 4.673 4.340 0.003 0.000 0.280 530 R C 0.254 176.545 176.300 -0.016 0.000 1.077 530 R CA -0.112 55.971 56.100 -0.028 0.000 1.065 530 R CB 0.680 30.960 30.300 -0.033 0.000 1.003 530 R HN 0.541 nan 8.270 nan 0.000 0.470 531 E N 1.193 121.370 120.200 -0.038 0.000 2.277 531 E HA 0.274 4.626 4.350 0.003 0.000 0.266 531 E C -1.044 175.556 176.600 0.000 0.000 0.901 531 E CA -0.780 55.592 56.400 -0.047 0.000 0.782 531 E CB 1.835 31.462 29.700 -0.122 0.000 1.228 531 E HN 0.472 nan 8.360 nan 0.000 0.424 532 Y N -0.914 119.353 120.300 -0.054 0.000 2.453 532 Y HA 0.716 5.268 4.550 0.003 0.000 0.326 532 Y C -0.716 175.172 175.900 -0.019 0.000 1.186 532 Y CA -1.167 56.906 58.100 -0.045 0.000 1.200 532 Y CB 0.622 39.074 38.460 -0.015 0.000 1.247 532 Y HN 0.161 nan 8.280 nan 0.000 0.482 533 V N 2.848 122.800 119.914 0.063 0.000 2.630 533 V HA 0.413 4.534 4.120 0.003 0.000 0.305 533 V C -0.663 175.526 176.094 0.159 0.000 1.046 533 V CA -0.887 61.415 62.300 0.003 0.000 0.934 533 V CB 1.509 33.334 31.823 0.003 0.000 1.003 533 V HN 0.915 nan 8.190 nan 0.000 0.451 534 N N 2.723 121.506 118.700 0.137 0.000 2.648 534 N HA 0.315 5.057 4.740 0.003 0.000 0.272 534 N C -0.209 175.426 175.510 0.209 0.000 1.118 534 N CA 0.362 53.530 53.050 0.197 0.000 0.973 534 N CB 1.883 40.515 38.487 0.242 0.000 1.565 534 N HN 1.114 nan 8.380 nan 0.000 0.542 535 A N 3.399 126.332 122.820 0.188 0.000 2.687 535 A HA -0.223 4.098 4.320 0.003 0.000 0.299 535 A C 0.978 178.682 177.584 0.201 0.000 1.497 535 A CA 1.428 53.573 52.037 0.181 0.000 0.751 535 A CB -1.124 17.983 19.000 0.179 0.000 1.048 535 A HN 0.948 nan 8.150 nan 0.000 0.464 536 R N -2.067 118.527 120.500 0.157 0.000 3.989 536 R HA -0.174 4.167 4.340 0.003 0.000 0.377 536 R C -0.231 176.101 176.300 0.053 0.000 1.158 536 R CA 1.814 57.945 56.100 0.052 0.000 1.035 536 R CB -2.433 27.733 30.300 -0.223 0.000 1.557 536 R HN 0.978 nan 8.270 nan 0.000 0.551 537 H N -0.545 118.613 119.070 0.145 0.000 2.504 537 H HA 0.237 4.794 4.556 0.003 0.000 0.322 537 H C 0.286 175.603 175.328 -0.018 0.000 1.055 537 H CA -0.521 55.565 56.048 0.064 0.000 1.231 537 H CB 1.209 30.975 29.762 0.006 0.000 1.417 537 H HN 0.053 nan 8.280 nan 0.000 0.472 538 c N 5.682 124.304 118.600 0.038 0.000 2.648 538 c HA 0.273 4.845 4.570 0.003 0.000 0.415 538 c C 0.754 174.731 174.090 -0.190 0.000 1.366 538 c CA -0.425 55.833 56.329 -0.119 0.000 1.756 538 c CB -1.304 41.140 42.510 -0.109 0.000 2.549 538 c HN 0.502 nan 8.230 nan 0.000 0.597 539 L N 5.726 126.684 121.223 -0.441 0.000 2.388 539 L HA 0.529 4.870 4.340 0.003 0.000 0.264 539 L C -2.375 174.245 176.870 -0.416 0.000 0.998 539 L CA -1.822 52.710 54.840 -0.513 0.000 0.817 539 L CB 2.527 44.114 42.059 -0.788 0.000 1.338 539 L HN 0.344 nan 8.230 nan 0.000 0.414 540 P HA 0.165 nan 4.420 nan 0.000 0.285 540 P C -0.638 176.795 177.300 0.222 0.000 1.259 540 P CA -0.546 62.578 63.100 0.039 0.000 0.794 540 P CB 0.907 32.618 31.700 0.020 0.000 0.940 541 c N 2.682 121.399 118.600 0.196 0.000 2.679 541 c HA 0.069 4.641 4.570 0.003 0.000 0.417 541 c C 1.432 175.613 174.090 0.152 0.000 1.302 541 c CA 0.246 56.691 56.329 0.192 0.000 1.973 541 c CB -1.630 40.939 42.510 0.099 0.000 2.715 541 c HN 0.635 nan 8.230 nan 0.000 0.628 542 H N 3.234 122.351 119.070 0.078 0.000 3.001 542 H HA 0.063 4.620 4.556 0.003 0.000 0.334 542 H C -1.457 173.907 175.328 0.059 0.000 1.034 542 H CA -0.199 55.891 56.048 0.071 0.000 1.420 542 H CB 0.604 30.410 29.762 0.074 0.000 1.405 542 H HN 0.421 nan 8.280 nan 0.000 0.593 543 P HA -0.199 nan 4.420 nan 0.000 0.217 543 P C 0.740 178.125 177.300 0.142 0.000 1.148 543 P CA 1.312 64.392 63.100 -0.033 0.000 0.834 543 P CB 0.309 31.927 31.700 -0.137 0.000 0.783 544 E N -1.612 118.810 120.200 0.369 0.000 2.481 544 E HA -0.005 4.347 4.350 0.003 0.000 0.195 544 E C 0.461 177.180 176.600 0.198 0.000 1.047 544 E CA 0.130 56.726 56.400 0.327 0.000 0.867 544 E CB -0.752 29.162 29.700 0.356 0.000 0.858 544 E HN 0.248 nan 8.360 nan 0.000 0.513 545 c N 1.762 120.463 118.600 0.168 0.000 2.605 545 c HA 0.169 4.741 4.570 0.003 0.000 0.404 545 c C 0.838 174.945 174.090 0.029 0.000 1.284 545 c CA -0.603 55.773 56.329 0.079 0.000 2.199 545 c CB 0.474 43.024 42.510 0.066 0.000 2.647 545 c HN 0.226 nan 8.230 nan 0.000 0.604 546 Q N 2.544 122.341 119.800 -0.007 0.000 2.303 546 Q HA 0.296 4.637 4.340 0.003 0.000 0.257 546 Q C -2.279 173.698 176.000 -0.038 0.000 0.941 546 Q CA -1.351 54.431 55.803 -0.034 0.000 0.931 546 Q CB 1.455 30.162 28.738 -0.051 0.000 1.215 546 Q HN 0.479 nan 8.270 nan 0.000 0.437 547 P HA 0.021 nan 4.420 nan 0.000 0.267 547 P C -0.700 176.574 177.300 -0.044 0.000 1.200 547 P CA 0.138 63.213 63.100 -0.041 0.000 0.772 547 P CB 0.678 32.358 31.700 -0.035 0.000 0.855 548 Q N 1.649 121.421 119.800 -0.048 0.000 2.387 548 Q HA 0.383 4.725 4.340 0.003 0.000 0.273 548 Q C -0.568 175.410 176.000 -0.036 0.000 1.089 548 Q CA -0.643 55.135 55.803 -0.043 0.000 0.824 548 Q CB 1.493 30.201 28.738 -0.050 0.000 1.367 548 Q HN 0.343 nan 8.270 nan 0.000 0.443 549 N N 0.416 119.099 118.700 -0.028 0.000 2.485 549 N HA 0.337 5.079 4.740 0.003 0.000 0.243 549 N C 0.831 176.329 175.510 -0.019 0.000 0.987 549 N CA 0.553 53.589 53.050 -0.023 0.000 0.940 549 N CB 1.284 39.759 38.487 -0.020 0.000 1.122 549 N HN 0.888 nan 8.380 nan 0.000 0.509 550 G N 1.012 109.799 108.800 -0.021 0.000 2.347 550 G HA2 -0.313 3.648 3.960 0.003 0.000 0.247 550 G HA3 -0.313 3.648 3.960 0.003 0.000 0.247 550 G C 0.477 175.369 174.900 -0.013 0.000 1.037 550 G CA 0.787 45.878 45.100 -0.016 0.000 0.622 550 G HN 0.684 nan 8.290 nan 0.000 0.521 551 S N -0.818 114.873 115.700 -0.016 0.000 2.730 551 S HA 0.694 5.166 4.470 0.003 0.000 0.284 551 S C 0.806 175.384 174.600 -0.038 0.000 1.153 551 S CA 0.127 58.321 58.200 -0.010 0.000 0.995 551 S CB 1.446 64.646 63.200 0.001 0.000 1.058 551 S HN 0.948 nan 8.310 nan 0.000 0.552 552 V N 2.428 122.314 119.914 -0.047 0.000 2.924 552 V HA 0.187 4.308 4.120 0.003 0.000 0.305 552 V C 1.284 177.243 176.094 -0.226 0.000 1.073 552 V CA 0.231 62.442 62.300 -0.148 0.000 1.098 552 V CB 1.239 32.940 31.823 -0.203 0.000 1.000 552 V HN 1.102 nan 8.190 nan 0.000 0.484 553 T N 0.775 115.168 114.554 -0.268 0.000 3.034 553 T HA 0.168 4.519 4.350 0.003 0.000 0.248 553 T C 0.196 174.718 174.700 -0.296 0.000 1.040 553 T CA 0.834 62.806 62.100 -0.213 0.000 1.107 553 T CB 0.127 68.922 68.868 -0.121 0.000 0.932 553 T HN 0.971 nan 8.240 nan 0.000 0.474 554 c N -0.482 117.821 118.600 -0.495 0.000 3.231 554 c HA 0.653 5.225 4.570 0.003 0.000 0.343 554 c C -0.762 172.902 174.090 -0.709 0.000 1.349 554 c CA -1.309 54.723 56.329 -0.495 0.000 1.209 554 c CB -0.281 42.136 42.510 -0.154 0.000 1.475 554 c HN 0.229 nan 8.230 nan 0.000 0.460 555 F N 1.472 121.380 119.950 -0.070 0.000 2.706 555 F HA 0.643 5.171 4.527 0.003 0.000 0.313 555 F C 1.302 176.921 175.800 -0.302 0.000 1.096 555 F CA 0.573 58.510 58.000 -0.105 0.000 1.219 555 F CB 0.977 39.932 39.000 -0.074 0.000 1.051 555 F HN 1.260 nan 8.300 nan 0.000 0.568 556 G N -0.177 108.387 108.800 -0.393 0.000 2.488 556 G HA2 0.299 4.261 3.960 0.003 0.000 0.301 556 G HA3 0.299 4.261 3.960 0.003 0.000 0.301 556 G C -2.428 172.073 174.900 -0.665 0.000 1.339 556 G CA -0.697 43.864 45.100 -0.898 0.000 0.803 556 G HN -0.336 nan 8.290 nan 0.000 0.482 557 P HA 0.026 nan 4.420 nan 0.000 0.217 557 P C 0.654 178.033 177.300 0.132 0.000 1.151 557 P CA 0.935 64.059 63.100 0.040 0.000 0.828 557 P CB 0.303 32.096 31.700 0.156 0.000 0.788 558 E N -0.622 119.617 120.200 0.066 0.000 2.435 558 E HA 0.246 4.598 4.350 0.003 0.000 0.256 558 E C 1.540 178.131 176.600 -0.015 0.000 1.245 558 E CA 0.327 56.783 56.400 0.093 0.000 0.989 558 E CB -0.128 29.616 29.700 0.074 0.000 0.983 558 E HN -0.031 nan 8.360 nan 0.000 0.480 559 A N 1.132 123.865 122.820 -0.146 0.000 2.123 559 A HA -0.102 4.220 4.320 0.003 0.000 0.214 559 A C 1.127 178.668 177.584 -0.072 0.000 1.152 559 A CA 1.197 53.099 52.037 -0.226 0.000 0.728 559 A CB -0.355 18.501 19.000 -0.239 0.000 0.814 559 A HN 0.636 nan 8.150 nan 0.000 0.464 560 D N -0.659 119.651 120.400 -0.150 0.000 2.347 560 D HA -0.110 4.531 4.640 0.003 0.000 0.215 560 D C 1.166 177.405 176.300 -0.101 0.000 0.976 560 D CA 0.639 54.489 54.000 -0.250 0.000 0.884 560 D CB -0.208 40.315 40.800 -0.463 0.000 0.915 560 D HN 0.480 nan 8.370 nan 0.000 0.526 561 Q N 0.022 119.796 119.800 -0.044 0.000 2.320 561 Q HA 0.128 4.470 4.340 0.003 0.000 0.201 561 Q C 0.025 176.072 176.000 0.079 0.000 0.910 561 Q CA -0.118 55.708 55.803 0.038 0.000 0.946 561 Q CB 0.485 29.216 28.738 -0.011 0.000 1.062 561 Q HN 0.279 nan 8.270 nan 0.000 0.503 562 c N -1.387 117.234 118.600 0.035 0.000 2.520 562 c HA 0.167 4.738 4.570 0.003 0.000 0.376 562 c C 1.968 176.093 174.090 0.059 0.000 1.268 562 c CA -0.806 55.532 56.329 0.014 0.000 2.414 562 c CB 0.796 43.315 42.510 0.015 0.000 2.521 562 c HN 0.256 nan 8.230 nan 0.000 0.618 563 V N 1.164 121.083 119.914 0.008 0.000 2.878 563 V HA 0.325 4.446 4.120 0.003 0.000 0.250 563 V C 0.828 176.941 176.094 0.032 0.000 1.075 563 V CA 1.848 64.188 62.300 0.066 0.000 1.096 563 V CB -0.160 31.679 31.823 0.026 0.000 0.724 563 V HN 1.061 nan 8.190 nan 0.000 0.467 564 A N -1.668 121.154 122.820 0.003 0.000 2.606 564 A HA 0.643 4.965 4.320 0.003 0.000 0.293 564 A C -0.864 176.715 177.584 -0.008 0.000 1.082 564 A CA -0.282 51.752 52.037 -0.005 0.000 0.685 564 A CB 1.174 20.163 19.000 -0.018 0.000 1.284 564 A HN 0.250 nan 8.150 nan 0.000 0.408 565 c N 0.445 119.037 118.600 -0.014 0.000 2.364 565 c HA 0.679 5.250 4.570 0.003 0.000 0.356 565 c C 1.781 175.824 174.090 -0.078 0.000 1.201 565 c CA 0.342 56.663 56.329 -0.012 0.000 2.227 565 c CB 1.024 43.543 42.510 0.014 0.000 2.387 565 c HN 1.101 nan 8.230 nan 0.000 0.546 566 A N 0.020 122.778 122.820 -0.103 0.000 2.147 566 A HA 0.114 4.436 4.320 0.003 0.000 0.211 566 A C 1.434 178.654 177.584 -0.607 0.000 1.160 566 A CA 1.026 52.885 52.037 -0.298 0.000 0.781 566 A CB -0.224 18.620 19.000 -0.260 0.000 0.842 566 A HN 0.997 nan 8.150 nan 0.000 0.475 567 H N -2.937 116.052 119.070 -0.134 0.000 4.643 567 H HA 0.341 4.898 4.556 0.002 0.000 0.109 567 H C -0.723 174.263 175.328 -0.571 0.000 1.249 567 H CA 0.269 56.127 56.048 -0.316 0.000 0.820 567 H CB 0.279 29.991 29.762 -0.083 0.000 1.474 567 H HN 0.341 nan 8.280 nan 0.000 0.233 568 Y N 0.482 120.887 120.300 0.175 0.000 2.477 568 Y HA 0.340 4.892 4.550 0.003 0.000 0.347 568 Y C -0.004 175.947 175.900 0.084 0.000 0.981 568 Y CA -0.808 57.352 58.100 0.100 0.000 1.033 568 Y CB 2.343 40.853 38.460 0.083 0.000 1.245 568 Y HN -0.075 nan 8.280 nan 0.000 0.455 569 K N 2.039 122.568 120.400 0.216 0.000 2.253 569 K HA 0.220 4.541 4.320 0.003 0.000 0.277 569 K C -1.406 175.280 176.600 0.143 0.000 1.053 569 K CA -0.332 56.042 56.287 0.146 0.000 0.892 569 K CB 0.590 33.143 32.500 0.089 0.000 1.102 569 K HN 0.751 nan 8.250 nan 0.000 0.469 570 D N 6.073 126.564 120.400 0.152 0.000 2.483 570 D HA 0.254 4.896 4.640 0.003 0.000 0.281 570 D C -2.410 173.992 176.300 0.170 0.000 1.174 570 D CA -2.100 51.984 54.000 0.140 0.000 0.938 570 D CB 0.733 41.609 40.800 0.128 0.000 1.002 570 D HN 0.214 nan 8.370 nan 0.000 0.501 571 P HA -0.043 nan 4.420 nan 0.000 0.263 571 P C -1.966 175.356 177.300 0.037 0.000 1.162 571 P CA -0.638 62.487 63.100 0.041 0.000 0.758 571 P CB 0.399 32.110 31.700 0.018 0.000 0.773 572 P HA 0.129 nan 4.420 nan 0.000 0.255 572 P C -0.193 176.924 177.300 -0.305 0.000 1.248 572 P CA 0.233 63.171 63.100 -0.271 0.000 0.807 572 P CB 0.210 31.683 31.700 -0.377 0.000 1.150 573 F N 0.142 120.078 119.950 -0.023 0.000 2.368 573 F HA 0.270 4.798 4.527 0.002 0.000 0.308 573 F C 1.121 176.906 175.800 -0.025 0.000 1.198 573 F CA -0.606 57.365 58.000 -0.048 0.000 1.130 573 F CB 0.167 39.133 39.000 -0.058 0.000 1.300 573 F HN -0.174 nan 8.300 nan 0.000 0.537 574 c N 2.004 120.708 118.600 0.173 0.000 2.322 574 c HA 0.758 5.329 4.570 0.003 0.000 0.324 574 c C 0.148 174.325 174.090 0.144 0.000 1.284 574 c CA -0.817 55.595 56.329 0.137 0.000 1.606 574 c CB 0.264 42.834 42.510 0.100 0.000 2.251 574 c HN 0.634 nan 8.230 nan 0.000 0.502 575 V N 0.444 120.465 119.914 0.178 0.000 3.139 575 V HA 1.003 5.124 4.120 0.003 0.000 0.310 575 V C 0.070 176.295 176.094 0.219 0.000 1.260 575 V CA -0.746 61.646 62.300 0.154 0.000 1.064 575 V CB 1.519 33.401 31.823 0.099 0.000 1.160 575 V HN 0.914 nan 8.190 nan 0.000 0.470 576 A N -0.330 122.577 122.820 0.145 0.000 3.041 576 A HA 0.638 4.959 4.320 0.003 0.000 0.307 576 A C 0.752 178.396 177.584 0.100 0.000 1.116 576 A CA -0.365 51.771 52.037 0.166 0.000 1.001 576 A CB -0.201 18.747 19.000 -0.088 0.000 1.112 576 A HN 0.815 nan 8.150 nan 0.000 0.556 577 R N -1.084 119.441 120.500 0.041 0.000 2.712 577 R HA 0.289 4.630 4.340 0.003 0.000 0.132 577 R C 0.135 176.249 176.300 -0.310 0.000 1.923 577 R CA 0.390 56.418 56.100 -0.119 0.000 1.539 577 R CB -0.025 30.246 30.300 -0.048 0.000 1.362 577 R HN 0.530 nan 8.270 nan 0.000 0.472 578 C N 0.000 119.178 119.300 -0.204 0.000 2.653 578 C HA 0.000 4.462 4.460 0.003 0.000 0.325 578 C CA 0.000 58.896 59.018 -0.203 0.000 1.963 578 C CB 0.000 27.701 27.740 -0.065 0.000 2.134 578 C HN 0.000 nan 8.230 nan 0.000 0.568