REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1s78_1_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 QcVA 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 0.000 174.769 174.700 0.116 0.000 1.109 1 T CA 0.000 62.140 62.100 0.067 0.000 1.349 1 T CB 0.000 68.898 68.868 0.051 0.000 0.612 2 Q N 1.441 121.304 119.800 0.106 0.000 2.354 2 Q HA 0.284 4.624 4.340 -0.000 0.000 0.203 2 Q C 0.417 176.491 176.000 0.122 0.000 0.933 2 Q CA 0.403 56.269 55.803 0.105 0.000 0.901 2 Q CB 0.321 29.106 28.738 0.077 0.000 1.007 2 Q HN 0.413 nan 8.270 nan 0.000 0.495 3 V N 2.149 122.149 119.914 0.144 0.000 2.459 3 V HA 0.484 4.604 4.120 -0.000 0.000 0.295 3 V C -0.077 176.095 176.094 0.129 0.000 1.029 3 V CA -1.020 61.364 62.300 0.141 0.000 0.874 3 V CB 1.221 33.160 31.823 0.193 0.000 0.985 3 V HN 0.549 nan 8.190 nan 0.000 0.438 4 c N 1.436 120.070 118.600 0.057 0.000 3.173 4 c HA 0.823 5.393 4.570 -0.000 0.000 0.310 4 c C 0.006 174.082 174.090 -0.025 0.000 1.306 4 c CA -0.582 55.706 56.329 -0.068 0.000 1.426 4 c CB 1.316 43.613 42.510 -0.355 0.000 1.800 4 c HN 0.774 nan 8.230 nan 0.000 0.470 5 T N 2.258 116.774 114.554 -0.063 0.000 2.771 5 T HA 0.611 4.961 4.350 -0.000 0.000 0.291 5 T C 0.777 175.430 174.700 -0.079 0.000 0.954 5 T CA 0.349 62.435 62.100 -0.022 0.000 1.045 5 T CB 1.099 69.974 68.868 0.011 0.000 0.917 5 T HN 1.235 nan 8.240 nan 0.000 0.484 6 G N 2.255 111.060 108.800 0.008 0.000 2.563 6 G HA2 0.530 4.490 3.960 -0.000 0.000 0.283 6 G HA3 0.530 4.490 3.960 -0.000 0.000 0.283 6 G C 0.235 175.127 174.900 -0.013 0.000 1.309 6 G CA -0.716 44.424 45.100 0.066 0.000 1.022 6 G HN 0.780 nan 8.290 nan 0.000 0.501 7 T N -2.605 111.964 114.554 0.025 0.000 2.897 7 T HA 0.506 4.856 4.350 -0.000 0.000 0.278 7 T C -0.862 173.841 174.700 0.004 0.000 0.981 7 T CA -0.449 61.648 62.100 -0.005 0.000 0.973 7 T CB 1.944 70.836 68.868 0.040 0.000 1.092 7 T HN 0.405 nan 8.240 nan 0.000 0.543 8 D N 0.180 120.592 120.400 0.020 0.000 2.714 8 D HA 0.242 4.882 4.640 -0.000 0.000 0.264 8 D C 0.543 176.880 176.300 0.062 0.000 1.231 8 D CA -0.486 53.549 54.000 0.058 0.000 0.802 8 D CB 0.009 40.833 40.800 0.040 0.000 1.319 8 D HN 0.654 nan 8.370 nan 0.000 0.528 9 M N -0.566 119.104 119.600 0.118 0.000 2.296 9 M HA 0.368 4.848 4.480 -0.000 0.000 0.291 9 M C 0.544 176.951 176.300 0.179 0.000 1.013 9 M CA -0.135 55.234 55.300 0.114 0.000 1.089 9 M CB 0.315 32.992 32.600 0.129 0.000 1.677 9 M HN -0.088 nan 8.290 nan 0.000 0.584 10 K N 1.269 121.827 120.400 0.264 0.000 1.939 10 K HA -0.181 4.139 4.320 -0.000 0.000 0.165 10 K C 0.671 177.458 176.600 0.312 0.000 1.508 10 K CA 2.225 58.719 56.287 0.345 0.000 0.525 10 K CB -1.513 31.164 32.500 0.294 0.000 0.615 10 K HN 0.404 nan 8.250 nan 0.000 0.888 11 L N 0.742 122.155 121.223 0.317 0.000 2.599 11 L HA 0.095 4.435 4.340 -0.000 0.000 0.230 11 L C 0.847 177.892 176.870 0.291 0.000 1.141 11 L CA 0.032 55.069 54.840 0.328 0.000 0.877 11 L CB -0.196 42.059 42.059 0.327 0.000 1.009 11 L HN 0.261 nan 8.230 nan 0.000 0.447 12 R N 1.376 121.989 120.500 0.187 0.000 2.638 12 R HA 0.098 4.438 4.340 -0.000 0.000 0.268 12 R C -0.414 175.894 176.300 0.014 0.000 1.006 12 R CA -0.108 56.041 56.100 0.082 0.000 1.088 12 R CB 0.350 30.683 30.300 0.056 0.000 0.950 12 R HN 0.056 nan 8.270 nan 0.000 0.419 13 L N 1.836 122.942 121.223 -0.195 0.000 2.343 13 L HA 0.592 4.932 4.340 -0.000 0.000 0.275 13 L C -2.235 174.417 176.870 -0.363 0.000 1.056 13 L CA -2.411 52.091 54.840 -0.563 0.000 0.804 13 L CB 0.374 41.854 42.059 -0.964 0.000 1.203 13 L HN 0.370 nan 8.230 nan 0.000 0.440 14 P HA 0.139 nan 4.420 nan 0.000 0.263 14 P C 0.362 177.555 177.300 -0.178 0.000 1.195 14 P CA 0.131 63.072 63.100 -0.264 0.000 0.762 14 P CB 1.201 32.622 31.700 -0.466 0.000 0.799 15 A N 2.805 125.571 122.820 -0.090 0.000 2.019 15 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 15 A C 1.161 178.630 177.584 -0.192 0.000 1.164 15 A CA 1.570 53.570 52.037 -0.061 0.000 0.644 15 A CB -0.373 18.661 19.000 0.056 0.000 0.805 15 A HN 0.532 nan 8.150 nan 0.000 0.449 16 S N -1.183 114.331 115.700 -0.310 0.000 2.746 16 S HA 0.524 4.994 4.470 -0.000 0.000 0.273 16 S C -2.375 172.133 174.600 -0.154 0.000 1.172 16 S CA -1.158 56.804 58.200 -0.396 0.000 1.116 16 S CB 1.538 64.208 63.200 -0.883 0.000 1.057 16 S HN 0.020 nan 8.310 nan 0.000 0.483 17 P HA 0.015 nan 4.420 nan 0.000 0.219 17 P C 0.831 178.153 177.300 0.036 0.000 1.150 17 P CA 0.917 64.000 63.100 -0.028 0.000 0.814 17 P CB 0.147 31.819 31.700 -0.046 0.000 0.787 18 E N -0.748 119.454 120.200 0.003 0.000 2.204 18 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 18 E C 1.425 178.028 176.600 0.006 0.000 0.989 18 E CA 1.682 58.086 56.400 0.006 0.000 0.824 18 E CB -0.824 28.867 29.700 -0.016 0.000 0.756 18 E HN 0.346 nan 8.360 nan 0.000 0.477 19 T N -2.703 111.849 114.554 -0.003 0.000 3.176 19 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 19 T C 1.157 175.903 174.700 0.077 0.000 1.021 19 T CA -0.236 61.867 62.100 0.004 0.000 0.905 19 T CB 0.005 68.845 68.868 -0.047 0.000 1.057 19 T HN 0.121 nan 8.240 nan 0.000 0.558 20 H N 1.125 120.208 119.070 0.022 0.000 2.363 20 H HA 0.257 4.813 4.556 0.000 0.000 0.301 20 H C 1.820 177.201 175.328 0.089 0.000 1.074 20 H CA 1.209 57.298 56.048 0.069 0.000 1.354 20 H CB -0.306 29.501 29.762 0.075 0.000 1.397 20 H HN 0.314 nan 8.280 nan 0.000 0.516 21 L N -0.053 121.166 121.223 -0.007 0.000 2.093 21 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 21 L C 1.769 178.594 176.870 -0.075 0.000 1.085 21 L CA 1.875 56.699 54.840 -0.026 0.000 0.755 21 L CB -0.363 41.750 42.059 0.090 0.000 0.904 21 L HN 0.347 nan 8.230 nan 0.000 0.435 22 D N -0.358 120.023 120.400 -0.033 0.000 2.144 22 D HA -0.257 4.383 4.640 -0.000 0.000 0.199 22 D C 2.205 178.519 176.300 0.023 0.000 0.984 22 D CA 1.032 55.028 54.000 -0.007 0.000 0.834 22 D CB -0.004 40.822 40.800 0.042 0.000 0.955 22 D HN 0.162 nan 8.370 nan 0.000 0.465 23 M N -0.205 119.373 119.600 -0.036 0.000 2.080 23 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 23 M C 1.629 177.815 176.300 -0.191 0.000 1.068 23 M CA 1.123 56.372 55.300 -0.085 0.000 1.109 23 M CB -0.345 32.238 32.600 -0.029 0.000 1.342 23 M HN 0.077 nan 8.290 nan 0.000 0.405 24 L N 0.241 121.324 121.223 -0.233 0.000 2.056 24 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 24 L C 2.634 179.159 176.870 -0.575 0.000 1.078 24 L CA 1.682 56.404 54.840 -0.196 0.000 0.749 24 L CB -1.300 40.784 42.059 0.042 0.000 0.901 24 L HN 0.366 nan 8.230 nan 0.000 0.433 25 R N -1.328 118.570 120.500 -1.003 0.000 2.082 25 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 25 R C 2.388 178.287 176.300 -0.668 0.000 1.136 25 R CA 1.554 56.777 56.100 -1.462 0.000 0.935 25 R CB -0.282 29.488 30.300 -0.883 0.000 0.842 25 R HN 0.460 nan 8.270 nan 0.000 0.430 26 H N -0.184 118.653 119.070 -0.389 0.000 2.387 26 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 26 H C 2.091 177.342 175.328 -0.129 0.000 1.099 26 H CA 1.442 57.363 56.048 -0.212 0.000 1.315 26 H CB 0.108 29.748 29.762 -0.202 0.000 1.380 26 H HN 0.153 nan 8.280 nan 0.000 0.513 27 L N -0.266 120.814 121.223 -0.238 0.000 2.027 27 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 27 L C 1.677 178.191 176.870 -0.595 0.000 1.074 27 L CA 1.736 56.244 54.840 -0.553 0.000 0.745 27 L CB -0.567 40.894 42.059 -0.996 0.000 0.898 27 L HN 0.237 nan 8.230 nan 0.000 0.433 28 Y N -2.404 117.862 120.300 -0.057 0.000 2.444 28 Y HA 0.210 4.760 4.550 -0.000 0.000 0.249 28 Y C 0.955 176.960 175.900 0.175 0.000 1.134 28 Y CA -0.683 57.447 58.100 0.050 0.000 1.261 28 Y CB 0.069 38.632 38.460 0.172 0.000 1.143 28 Y HN 0.083 nan 8.280 nan 0.000 0.523 29 Q N 1.401 121.353 119.800 0.253 0.000 2.362 29 Q HA 0.119 4.459 4.340 -0.000 0.000 0.305 29 Q C 1.220 177.353 176.000 0.221 0.000 1.120 29 Q CA 1.372 57.295 55.803 0.199 0.000 1.011 29 Q CB -0.091 28.655 28.738 0.013 0.000 1.048 29 Q HN 0.589 nan 8.270 nan 0.000 0.386 30 G N 2.878 111.786 108.800 0.180 0.000 2.203 30 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.263 30 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.263 30 G C 0.125 175.123 174.900 0.164 0.000 1.012 30 G CA 0.178 45.357 45.100 0.132 0.000 0.749 30 G HN 0.992 nan 8.290 nan 0.000 0.512 31 c N -0.371 118.355 118.600 0.210 0.000 2.358 31 c HA 0.815 5.385 4.570 -0.000 0.000 0.342 31 c C 1.356 175.517 174.090 0.119 0.000 1.234 31 c CA 0.205 56.645 56.329 0.185 0.000 1.969 31 c CB 1.470 44.084 42.510 0.173 0.000 2.346 31 c HN 0.572 nan 8.230 nan 0.000 0.525 32 Q N 3.030 122.883 119.800 0.087 0.000 2.471 32 Q HA 0.241 4.581 4.340 -0.000 0.000 0.241 32 Q C -0.170 175.848 176.000 0.030 0.000 0.886 32 Q CA 0.311 56.142 55.803 0.047 0.000 0.953 32 Q CB 0.432 29.194 28.738 0.039 0.000 1.108 32 Q HN 0.630 nan 8.270 nan 0.000 0.575 33 V N 2.110 122.051 119.914 0.044 0.000 2.417 33 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 33 V C -0.406 175.710 176.094 0.036 0.000 1.024 33 V CA -0.682 61.634 62.300 0.027 0.000 0.861 33 V CB 1.953 33.794 31.823 0.029 0.000 0.985 33 V HN -0.047 nan 8.190 nan 0.000 0.436 34 V N 5.415 125.339 119.914 0.018 0.000 2.275 34 V HA 0.273 4.393 4.120 -0.000 0.000 0.272 34 V C 0.147 176.244 176.094 0.005 0.000 1.028 34 V CA -0.666 61.659 62.300 0.041 0.000 0.810 34 V CB 1.160 33.011 31.823 0.046 0.000 1.043 34 V HN 0.847 nan 8.190 nan 0.000 0.453 35 Q N 3.347 123.149 119.800 0.002 0.000 2.255 35 Q HA 0.416 4.756 4.340 -0.000 0.000 0.280 35 Q C 0.947 176.943 176.000 -0.007 0.000 1.068 35 Q CA 1.082 56.870 55.803 -0.025 0.000 0.911 35 Q CB 0.990 29.718 28.738 -0.016 0.000 1.157 35 Q HN 1.069 nan 8.270 nan 0.000 0.380 36 G N 3.756 112.539 108.800 -0.028 0.000 2.508 36 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 36 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 36 G C -0.757 174.077 174.900 -0.109 0.000 1.287 36 G CA -0.715 44.358 45.100 -0.045 0.000 0.916 36 G HN 0.649 nan 8.290 nan 0.000 0.574 37 N N 0.212 118.800 118.700 -0.187 0.000 2.400 37 N HA 0.478 5.218 4.740 -0.000 0.000 0.288 37 N C -0.651 174.734 175.510 -0.209 0.000 1.024 37 N CA -0.559 52.254 53.050 -0.396 0.000 0.894 37 N CB 2.234 40.136 38.487 -0.976 0.000 1.173 37 N HN 0.665 nan 8.380 nan 0.000 0.487 38 L N 1.862 122.966 121.223 -0.199 0.000 2.295 38 L HA 0.209 4.549 4.340 -0.000 0.000 0.288 38 L C -0.188 176.626 176.870 -0.093 0.000 1.079 38 L CA 0.171 54.917 54.840 -0.156 0.000 0.830 38 L CB -0.199 41.711 42.059 -0.248 0.000 1.200 38 L HN 0.415 nan 8.230 nan 0.000 0.438 39 E N 6.463 126.673 120.200 0.016 0.000 2.114 39 E HA 0.357 4.707 4.350 -0.000 0.000 0.266 39 E C -1.144 175.530 176.600 0.123 0.000 0.896 39 E CA -0.339 56.117 56.400 0.092 0.000 0.750 39 E CB 1.337 31.130 29.700 0.156 0.000 1.121 39 E HN 0.554 nan 8.360 nan 0.000 0.413 40 L N 3.682 124.950 121.223 0.075 0.000 2.313 40 L HA 0.352 4.692 4.340 -0.000 0.000 0.273 40 L C -0.118 176.814 176.870 0.103 0.000 1.028 40 L CA -0.509 54.386 54.840 0.093 0.000 0.871 40 L CB 0.761 42.823 42.059 0.006 0.000 1.242 40 L HN 0.477 nan 8.230 nan 0.000 0.434 41 T N -2.520 112.165 114.554 0.219 0.000 2.893 41 T HA 0.548 4.898 4.350 -0.000 0.000 0.291 41 T C -0.041 174.824 174.700 0.274 0.000 1.028 41 T CA -0.536 61.640 62.100 0.128 0.000 0.995 41 T CB 1.256 70.199 68.868 0.125 0.000 1.051 41 T HN 0.483 nan 8.240 nan 0.000 0.470 42 Y N -0.614 119.776 120.300 0.151 0.000 4.032 42 Y HA -0.161 4.389 4.550 -0.000 0.000 0.230 42 Y C 0.087 176.074 175.900 0.144 0.000 1.202 42 Y CA -0.251 57.904 58.100 0.092 0.000 1.878 42 Y CB -2.227 36.197 38.460 -0.060 0.000 1.586 42 Y HN 0.647 nan 8.280 nan 0.000 0.673 43 L N 3.605 124.962 121.223 0.224 0.000 2.313 43 L HA 0.318 4.658 4.340 -0.000 0.000 0.282 43 L C -1.584 175.364 176.870 0.130 0.000 1.092 43 L CA -1.862 53.094 54.840 0.194 0.000 0.831 43 L CB 0.543 42.687 42.059 0.141 0.000 1.159 43 L HN -0.154 nan 8.230 nan 0.000 0.442 44 P HA -0.014 nan 4.420 nan 0.000 0.274 44 P C 0.650 177.989 177.300 0.064 0.000 1.260 44 P CA -0.335 62.820 63.100 0.092 0.000 0.793 44 P CB 0.743 32.497 31.700 0.090 0.000 1.048 45 T N -0.341 114.243 114.554 0.050 0.000 2.849 45 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 45 T C 1.409 176.126 174.700 0.028 0.000 1.066 45 T CA 1.847 63.967 62.100 0.034 0.000 1.130 45 T CB -0.656 68.230 68.868 0.029 0.000 0.864 45 T HN 0.566 nan 8.240 nan 0.000 0.481 46 N N 0.244 118.964 118.700 0.034 0.000 2.348 46 N HA 0.205 4.945 4.740 -0.000 0.000 0.183 46 N C 0.837 176.366 175.510 0.031 0.000 1.094 46 N CA 0.173 53.241 53.050 0.029 0.000 0.885 46 N CB -0.008 38.497 38.487 0.030 0.000 1.065 46 N HN 0.289 nan 8.380 nan 0.000 0.472 47 A N 2.032 124.880 122.820 0.046 0.000 2.589 47 A HA -0.056 4.264 4.320 -0.000 0.000 0.265 47 A C 0.605 178.208 177.584 0.033 0.000 0.973 47 A CA 0.483 52.555 52.037 0.059 0.000 0.902 47 A CB -0.355 18.694 19.000 0.080 0.000 0.846 47 A HN 0.391 nan 8.150 nan 0.000 0.489 48 S N 2.901 118.630 115.700 0.047 0.000 2.414 48 S HA 0.370 4.840 4.470 -0.000 0.000 0.290 48 S C 0.500 175.089 174.600 -0.019 0.000 1.160 48 S CA -0.582 57.630 58.200 0.020 0.000 1.069 48 S CB -0.466 62.761 63.200 0.047 0.000 1.012 48 S HN 0.581 nan 8.310 nan 0.000 0.510 49 L N 5.014 126.127 121.223 -0.183 0.000 2.791 49 L HA 0.187 4.527 4.340 -0.000 0.000 0.239 49 L C 2.281 178.784 176.870 -0.611 0.000 1.203 49 L CA -0.022 54.483 54.840 -0.558 0.000 1.002 49 L CB -0.385 41.413 42.059 -0.435 0.000 1.295 49 L HN 0.813 nan 8.230 nan 0.000 0.504 50 S N 1.761 117.292 115.700 -0.283 0.000 2.407 50 S HA -0.278 4.192 4.470 -0.000 0.000 0.235 50 S C 1.921 176.428 174.600 -0.154 0.000 1.036 50 S CA 1.804 59.909 58.200 -0.158 0.000 1.013 50 S CB -0.590 62.591 63.200 -0.031 0.000 0.820 50 S HN 0.610 nan 8.310 nan 0.000 0.476 51 F N 0.926 120.874 119.950 -0.004 0.000 2.494 51 F HA 0.264 4.791 4.527 -0.000 0.000 0.298 51 F C 1.552 177.364 175.800 0.020 0.000 1.106 51 F CA 0.266 58.273 58.000 0.013 0.000 1.452 51 F CB -0.697 38.317 39.000 0.024 0.000 1.085 51 F HN 0.173 nan 8.300 nan 0.000 0.569 52 L N 0.814 121.865 121.223 -0.285 0.000 2.558 52 L HA 0.008 4.348 4.340 -0.000 0.000 0.225 52 L C 2.119 178.919 176.870 -0.116 0.000 1.128 52 L CA 0.297 55.027 54.840 -0.183 0.000 0.868 52 L CB -0.674 41.179 42.059 -0.343 0.000 1.006 52 L HN 0.290 nan 8.230 nan 0.000 0.454 53 Q N -1.200 118.543 119.800 -0.095 0.000 2.557 53 Q HA -0.114 4.226 4.340 -0.000 0.000 0.217 53 Q C 0.391 176.365 176.000 -0.045 0.000 0.978 53 Q CA 0.884 56.641 55.803 -0.077 0.000 0.950 53 Q CB -0.096 28.602 28.738 -0.066 0.000 0.991 53 Q HN 0.256 nan 8.270 nan 0.000 0.533 54 D N 0.034 120.424 120.400 -0.018 0.000 2.469 54 D HA 0.224 4.864 4.640 -0.000 0.000 0.213 54 D C -0.280 176.017 176.300 -0.004 0.000 1.135 54 D CA -0.158 53.843 54.000 0.002 0.000 0.834 54 D CB 0.534 41.357 40.800 0.038 0.000 1.009 54 D HN 0.271 nan 8.370 nan 0.000 0.507 55 I N 1.712 122.264 120.570 -0.030 0.000 2.452 55 I HA 0.021 4.191 4.170 -0.000 0.000 0.287 55 I C 1.533 177.616 176.117 -0.057 0.000 1.079 55 I CA 0.271 61.546 61.300 -0.043 0.000 1.387 55 I CB 1.094 39.037 38.000 -0.095 0.000 1.404 55 I HN -0.206 nan 8.210 nan 0.000 0.522 56 Q N 4.240 124.017 119.800 -0.039 0.000 2.390 56 Q HA 0.160 4.500 4.340 -0.000 0.000 0.216 56 Q C 0.296 176.266 176.000 -0.050 0.000 0.916 56 Q CA 0.478 56.255 55.803 -0.045 0.000 0.911 56 Q CB 0.829 29.550 28.738 -0.028 0.000 1.035 56 Q HN 0.622 nan 8.270 nan 0.000 0.541 57 E N 0.570 120.745 120.200 -0.042 0.000 2.275 57 E HA 0.385 4.735 4.350 -0.000 0.000 0.270 57 E C -1.743 174.830 176.600 -0.045 0.000 0.882 57 E CA -0.420 55.955 56.400 -0.042 0.000 0.758 57 E CB 2.323 32.003 29.700 -0.034 0.000 1.195 57 E HN -0.162 nan 8.360 nan 0.000 0.419 58 V N 5.145 125.030 119.914 -0.048 0.000 2.378 58 V HA 0.117 4.237 4.120 -0.000 0.000 0.288 58 V C 1.000 177.070 176.094 -0.039 0.000 1.016 58 V CA -0.373 61.897 62.300 -0.050 0.000 0.840 58 V CB 1.475 33.260 31.823 -0.064 0.000 0.994 58 V HN 0.836 nan 8.190 nan 0.000 0.431 59 Q N 2.639 122.412 119.800 -0.045 0.000 2.119 59 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 59 Q C 1.501 177.488 176.000 -0.022 0.000 0.972 59 Q CA 1.708 57.484 55.803 -0.045 0.000 0.847 59 Q CB 0.309 29.012 28.738 -0.059 0.000 0.903 59 Q HN 0.972 nan 8.270 nan 0.000 0.433 60 G N -0.491 108.288 108.800 -0.035 0.000 3.380 60 G HA2 0.179 4.139 3.960 -0.000 0.000 0.188 60 G HA3 0.179 4.139 3.960 -0.000 0.000 0.188 60 G C -0.355 174.585 174.900 0.067 0.000 1.892 60 G CA 0.122 45.216 45.100 -0.010 0.000 0.912 60 G HN 0.304 nan 8.290 nan 0.000 0.609 61 Y N -1.950 118.395 120.300 0.074 0.000 2.630 61 Y HA 0.762 5.312 4.550 0.000 0.000 0.337 61 Y C -0.786 175.147 175.900 0.055 0.000 1.051 61 Y CA -1.794 56.360 58.100 0.089 0.000 1.121 61 Y CB 1.514 40.067 38.460 0.155 0.000 1.299 61 Y HN 0.232 nan 8.280 nan 0.000 0.498 62 V N 3.214 123.282 119.914 0.257 0.000 2.384 62 V HA 0.393 4.513 4.120 -0.000 0.000 0.287 62 V C -1.040 175.163 176.094 0.181 0.000 1.020 62 V CA -0.575 61.793 62.300 0.113 0.000 0.850 62 V CB 1.207 33.048 31.823 0.030 0.000 0.987 62 V HN 0.711 nan 8.190 nan 0.000 0.436 63 L N 7.302 128.608 121.223 0.138 0.000 2.319 63 L HA 0.657 4.997 4.340 -0.000 0.000 0.281 63 L C -0.711 176.128 176.870 -0.051 0.000 1.005 63 L CA 0.169 55.010 54.840 0.001 0.000 0.828 63 L CB 1.223 43.331 42.059 0.082 0.000 1.227 63 L HN 0.569 nan 8.230 nan 0.000 0.415 64 I N 5.772 126.275 120.570 -0.111 0.000 2.371 64 I HA 0.740 4.910 4.170 -0.000 0.000 0.282 64 I C -0.196 175.830 176.117 -0.151 0.000 1.031 64 I CA -0.119 61.122 61.300 -0.100 0.000 1.180 64 I CB 1.241 39.191 38.000 -0.084 0.000 1.336 64 I HN 0.769 nan 8.210 nan 0.000 0.467 65 A N 3.947 126.677 122.820 -0.151 0.000 2.572 65 A HA 0.631 4.951 4.320 -0.000 0.000 0.295 65 A C 0.001 177.427 177.584 -0.263 0.000 1.072 65 A CA -0.432 51.463 52.037 -0.237 0.000 0.691 65 A CB 0.827 19.681 19.000 -0.243 0.000 1.291 65 A HN 0.735 nan 8.150 nan 0.000 0.404 66 H N 0.004 118.886 119.070 -0.313 0.000 2.820 66 H HA -0.133 4.423 4.556 -0.000 0.000 0.295 66 H C -0.164 174.987 175.328 -0.295 0.000 1.187 66 H CA 1.315 57.118 56.048 -0.408 0.000 1.144 66 H CB -1.251 27.954 29.762 -0.929 0.000 1.354 66 H HN 0.674 nan 8.280 nan 0.000 0.395 67 N N 0.724 119.363 118.700 -0.101 0.000 2.456 67 N HA 0.166 4.906 4.740 -0.000 0.000 0.296 67 N C 1.062 176.566 175.510 -0.010 0.000 1.102 67 N CA -0.361 52.671 53.050 -0.030 0.000 0.924 67 N CB 1.397 39.868 38.487 -0.026 0.000 1.186 67 N HN 0.268 nan 8.380 nan 0.000 0.492 68 Q N -0.135 119.677 119.800 0.021 0.000 2.352 68 Q HA 0.112 4.452 4.340 -0.000 0.000 0.212 68 Q C 0.194 176.201 176.000 0.012 0.000 0.888 68 Q CA -0.088 55.726 55.803 0.018 0.000 0.934 68 Q CB 0.468 29.226 28.738 0.034 0.000 1.093 68 Q HN 0.597 nan 8.270 nan 0.000 0.523 69 V N -0.294 119.627 119.914 0.012 0.000 2.788 69 V HA -0.042 4.078 4.120 -0.000 0.000 0.307 69 V C 0.965 177.056 176.094 -0.006 0.000 1.069 69 V CA 0.015 62.317 62.300 0.004 0.000 1.173 69 V CB 0.820 32.641 31.823 -0.005 0.000 0.925 69 V HN 0.145 nan 8.190 nan 0.000 0.492 70 R N 0.831 121.328 120.500 -0.004 0.000 2.115 70 R HA 0.111 4.451 4.340 -0.000 0.000 0.226 70 R C 0.887 177.184 176.300 -0.004 0.000 1.100 70 R CA 0.888 56.986 56.100 -0.002 0.000 0.980 70 R CB 0.021 30.323 30.300 0.003 0.000 0.875 70 R HN 0.809 nan 8.270 nan 0.000 0.445 71 Q N 0.151 119.941 119.800 -0.016 0.000 2.289 71 Q HA 0.241 4.581 4.340 -0.000 0.000 0.270 71 Q C -1.652 174.315 176.000 -0.054 0.000 1.038 71 Q CA -0.626 55.161 55.803 -0.027 0.000 0.812 71 Q CB 2.544 31.268 28.738 -0.025 0.000 1.300 71 Q HN 0.036 nan 8.270 nan 0.000 0.427 72 V N 1.829 121.703 119.914 -0.067 0.000 2.384 72 V HA 0.700 4.820 4.120 -0.000 0.000 0.287 72 V C -2.462 173.558 176.094 -0.124 0.000 1.020 72 V CA -2.060 60.176 62.300 -0.107 0.000 0.850 72 V CB 1.646 33.404 31.823 -0.108 0.000 0.987 72 V HN 0.595 nan 8.190 nan 0.000 0.436 73 P HA 0.352 nan 4.420 nan 0.000 0.214 73 P C 0.019 177.225 177.300 -0.156 0.000 1.826 73 P CA -0.048 62.968 63.100 -0.141 0.000 0.977 73 P CB 0.040 31.655 31.700 -0.143 0.000 1.930 74 L N 0.831 121.955 121.223 -0.164 0.000 2.888 74 L HA 0.158 4.498 4.340 -0.000 0.000 0.237 74 L C 1.599 178.354 176.870 -0.192 0.000 1.288 74 L CA 0.044 54.778 54.840 -0.178 0.000 1.110 74 L CB -0.335 41.613 42.059 -0.185 0.000 1.441 74 L HN 0.014 nan 8.230 nan 0.000 0.474 75 Q N -0.144 119.555 119.800 -0.169 0.000 2.291 75 Q HA -0.091 4.249 4.340 -0.000 0.000 0.206 75 Q C 1.804 177.708 176.000 -0.159 0.000 0.976 75 Q CA 1.234 56.932 55.803 -0.174 0.000 0.875 75 Q CB 0.008 28.669 28.738 -0.129 0.000 0.927 75 Q HN 0.372 nan 8.270 nan 0.000 0.450 76 R N -0.549 119.872 120.500 -0.132 0.000 2.334 76 R HA 0.198 4.538 4.340 -0.000 0.000 0.216 76 R C -0.047 176.187 176.300 -0.109 0.000 0.905 76 R CA -0.216 55.821 56.100 -0.105 0.000 1.064 76 R CB 0.258 30.512 30.300 -0.075 0.000 1.046 76 R HN 0.223 nan 8.270 nan 0.000 0.508 77 L N 1.898 123.038 121.223 -0.138 0.000 2.534 77 L HA -0.021 4.319 4.340 -0.000 0.000 0.271 77 L C 1.150 177.944 176.870 -0.127 0.000 1.178 77 L CA 0.579 55.341 54.840 -0.130 0.000 0.907 77 L CB 0.544 42.510 42.059 -0.155 0.000 1.164 77 L HN 0.083 nan 8.230 nan 0.000 0.482 78 R N 4.455 124.903 120.500 -0.087 0.000 2.140 78 R HA 0.335 4.675 4.340 -0.000 0.000 0.200 78 R C 0.089 176.361 176.300 -0.045 0.000 1.069 78 R CA 0.164 56.223 56.100 -0.068 0.000 1.088 78 R CB 0.415 30.685 30.300 -0.051 0.000 1.012 78 R HN 0.663 nan 8.270 nan 0.000 0.500 79 I N 0.863 121.409 120.570 -0.040 0.000 2.582 79 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 79 I C -1.638 174.468 176.117 -0.019 0.000 1.066 79 I CA -1.098 60.188 61.300 -0.024 0.000 1.053 79 I CB 2.211 40.189 38.000 -0.037 0.000 1.241 79 I HN -0.105 nan 8.210 nan 0.000 0.421 80 V N 7.643 127.564 119.914 0.011 0.000 2.444 80 V HA 0.538 4.658 4.120 -0.000 0.000 0.294 80 V C 0.471 176.588 176.094 0.038 0.000 1.022 80 V CA -0.352 61.962 62.300 0.025 0.000 0.850 80 V CB 1.714 33.569 31.823 0.053 0.000 0.992 80 V HN 0.952 nan 8.190 nan 0.000 0.426 81 R N 4.231 124.739 120.500 0.012 0.000 2.173 81 R HA 0.256 4.596 4.340 -0.000 0.000 0.208 81 R C 1.476 177.794 176.300 0.030 0.000 1.035 81 R CA 0.772 56.868 56.100 -0.006 0.000 1.004 81 R CB 0.171 30.443 30.300 -0.046 0.000 0.917 81 R HN 1.338 nan 8.270 nan 0.000 0.462 82 G N 0.973 109.813 108.800 0.066 0.000 2.246 82 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.273 82 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.273 82 G C 0.647 175.594 174.900 0.078 0.000 1.055 82 G CA 0.676 45.838 45.100 0.103 0.000 0.851 82 G HN 0.289 nan 8.290 nan 0.000 0.500 83 T N -0.180 114.408 114.554 0.056 0.000 2.720 83 T HA -0.016 4.334 4.350 -0.000 0.000 0.268 83 T C 1.276 176.020 174.700 0.072 0.000 1.037 83 T CA 2.073 64.198 62.100 0.043 0.000 1.144 83 T CB -0.056 68.825 68.868 0.021 0.000 0.864 83 T HN 0.830 nan 8.240 nan 0.000 0.444 84 Q N 0.123 119.995 119.800 0.121 0.000 2.345 84 Q HA 0.720 5.060 4.340 -0.000 0.000 0.268 84 Q C -1.368 174.811 176.000 0.297 0.000 1.054 84 Q CA -0.669 55.240 55.803 0.178 0.000 0.835 84 Q CB 2.223 31.085 28.738 0.207 0.000 1.339 84 Q HN 0.246 nan 8.270 nan 0.000 0.447 85 L N 1.788 123.130 121.223 0.198 0.000 2.362 85 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 85 L C -0.596 176.184 176.870 -0.150 0.000 0.998 85 L CA -1.029 53.880 54.840 0.116 0.000 0.820 85 L CB 1.286 43.355 42.059 0.017 0.000 1.270 85 L HN 0.615 nan 8.230 nan 0.000 0.415 86 F N 3.033 122.559 119.950 -0.707 0.000 2.623 86 F HA -0.058 4.469 4.527 0.000 0.000 0.383 86 F C 1.300 176.943 175.800 -0.262 0.000 1.077 86 F CA 0.473 57.979 58.000 -0.824 0.000 1.268 86 F CB 0.084 38.603 39.000 -0.802 0.000 1.053 86 F HN 0.721 nan 8.300 nan 0.000 0.571 87 E N 3.125 122.759 120.200 -0.942 0.000 2.660 87 E HA -0.346 4.004 4.350 -0.000 0.000 0.260 87 E C 0.100 176.503 176.600 -0.329 0.000 1.122 87 E CA 0.991 57.025 56.400 -0.609 0.000 0.755 87 E CB -0.987 28.418 29.700 -0.491 0.000 1.345 87 E HN 0.877 nan 8.360 nan 0.000 0.421 88 D N -1.736 118.505 120.400 -0.265 0.000 3.039 88 D HA -0.245 4.395 4.640 -0.000 0.000 0.222 88 D C 0.528 176.696 176.300 -0.221 0.000 1.179 88 D CA 1.406 55.297 54.000 -0.182 0.000 0.880 88 D CB -1.069 39.642 40.800 -0.148 0.000 1.115 88 D HN 0.540 nan 8.370 nan 0.000 0.416 89 N N -1.630 116.879 118.700 -0.318 0.000 2.249 89 N HA -0.007 4.733 4.740 -0.000 0.000 0.239 89 N C -0.340 174.865 175.510 -0.509 0.000 1.185 89 N CA 0.102 52.835 53.050 -0.529 0.000 0.825 89 N CB 0.990 38.925 38.487 -0.920 0.000 1.372 89 N HN 0.140 nan 8.380 nan 0.000 0.472 90 Y N 0.481 120.797 120.300 0.027 0.000 2.335 90 Y HA 0.529 5.079 4.550 -0.000 0.000 0.338 90 Y C 0.994 176.961 175.900 0.111 0.000 0.977 90 Y CA -0.688 57.457 58.100 0.075 0.000 1.114 90 Y CB 1.900 40.430 38.460 0.116 0.000 1.182 90 Y HN -0.060 nan 8.280 nan 0.000 0.463 91 A N 2.846 125.841 122.820 0.291 0.000 1.975 91 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 91 A C 0.006 177.752 177.584 0.270 0.000 1.170 91 A CA 0.789 52.992 52.037 0.277 0.000 0.656 91 A CB 0.165 19.316 19.000 0.251 0.000 0.821 91 A HN 0.552 nan 8.150 nan 0.000 0.449 92 L N -1.030 120.329 121.223 0.226 0.000 2.385 92 L HA 0.761 5.101 4.340 -0.000 0.000 0.273 92 L C -0.745 176.130 176.870 0.008 0.000 0.990 92 L CA -0.506 54.409 54.840 0.125 0.000 0.821 92 L CB 1.736 43.868 42.059 0.122 0.000 1.279 92 L HN 0.190 nan 8.230 nan 0.000 0.412 93 A N 4.941 127.702 122.820 -0.097 0.000 2.414 93 A HA 0.735 5.055 4.320 -0.000 0.000 0.286 93 A C -1.660 175.755 177.584 -0.282 0.000 1.073 93 A CA -0.474 51.387 52.037 -0.293 0.000 0.727 93 A CB 1.414 20.062 19.000 -0.586 0.000 1.215 93 A HN 0.473 nan 8.150 nan 0.000 0.430 94 V N 4.125 123.896 119.914 -0.238 0.000 2.350 94 V HA 0.565 4.685 4.120 -0.000 0.000 0.285 94 V C -0.402 175.562 176.094 -0.216 0.000 1.014 94 V CA -0.128 62.060 62.300 -0.186 0.000 0.831 94 V CB 0.759 32.523 31.823 -0.098 0.000 1.000 94 V HN 0.772 nan 8.190 nan 0.000 0.433 95 L N 2.978 124.052 121.223 -0.249 0.000 2.409 95 L HA 0.565 4.905 4.340 -0.000 0.000 0.262 95 L C -0.138 176.529 176.870 -0.337 0.000 0.992 95 L CA -0.974 53.703 54.840 -0.272 0.000 0.817 95 L CB 2.147 44.031 42.059 -0.292 0.000 1.350 95 L HN 0.626 nan 8.230 nan 0.000 0.411 96 D N 1.097 121.311 120.400 -0.310 0.000 2.720 96 D HA -0.212 4.428 4.640 -0.000 0.000 0.229 96 D C -0.239 175.885 176.300 -0.293 0.000 1.198 96 D CA 0.640 54.437 54.000 -0.339 0.000 0.639 96 D CB -1.050 39.423 40.800 -0.545 0.000 1.003 96 D HN 0.424 nan 8.370 nan 0.000 0.411 97 N N 0.935 119.522 118.700 -0.189 0.000 3.322 97 N HA 0.357 5.097 4.740 -0.000 0.000 0.290 97 N C 0.476 175.941 175.510 -0.076 0.000 1.297 97 N CA 0.170 53.144 53.050 -0.127 0.000 1.167 97 N CB 1.072 39.495 38.487 -0.107 0.000 1.434 97 N HN 0.405 nan 8.380 nan 0.000 0.526 98 G N -0.391 108.374 108.800 -0.059 0.000 2.949 98 G HA2 0.232 4.192 3.960 -0.000 0.000 0.285 98 G HA3 0.232 4.192 3.960 -0.000 0.000 0.285 98 G C -1.045 173.852 174.900 -0.005 0.000 1.395 98 G CA -0.442 44.640 45.100 -0.031 0.000 0.901 98 G HN 0.035 nan 8.290 nan 0.000 0.519 99 D N 1.234 121.635 120.400 0.002 0.000 2.350 99 D HA 0.289 4.929 4.640 -0.000 0.000 0.249 99 D C -1.504 174.812 176.300 0.025 0.000 1.119 99 D CA -0.800 53.210 54.000 0.017 0.000 0.886 99 D CB 1.652 42.459 40.800 0.012 0.000 1.195 99 D HN 0.078 nan 8.370 nan 0.000 0.437 100 P HA -0.008 nan 4.420 nan 0.000 0.235 100 P C 0.492 177.813 177.300 0.034 0.000 1.720 100 P CA -0.380 62.750 63.100 0.049 0.000 1.003 100 P CB -0.348 31.391 31.700 0.065 0.000 1.968 112 P HA 0.498 nan 4.420 nan 0.000 0.275 112 P C 0.308 177.609 177.300 0.000 0.000 1.227 112 P CA 0.109 63.209 63.100 -0.000 0.000 0.781 112 P CB 0.434 32.131 31.700 -0.006 0.000 0.906 113 G N 0.370 109.173 108.800 0.004 0.000 2.667 113 G HA2 0.504 4.464 3.960 -0.000 0.000 0.250 113 G HA3 0.504 4.464 3.960 -0.000 0.000 0.250 113 G C 0.037 174.936 174.900 -0.003 0.000 1.212 113 G CA 0.041 45.144 45.100 0.005 0.000 0.874 113 G HN 0.921 nan 8.290 nan 0.000 0.561 114 G N -1.303 107.495 108.800 -0.005 0.000 2.627 114 G HA2 0.306 4.266 3.960 -0.000 0.000 0.680 114 G HA3 0.306 4.266 3.960 -0.000 0.000 0.680 114 G C -0.576 174.315 174.900 -0.015 0.000 1.341 114 G CA -0.477 44.614 45.100 -0.016 0.000 0.835 114 G HN 1.267 nan 8.290 nan 0.000 0.643 115 L N 1.168 122.378 121.223 -0.021 0.000 2.615 115 L HA 0.284 4.624 4.340 -0.000 0.000 0.284 115 L C 1.694 178.562 176.870 -0.004 0.000 1.237 115 L CA 1.209 56.042 54.840 -0.013 0.000 0.905 115 L CB 0.353 42.400 42.059 -0.021 0.000 1.149 115 L HN 0.743 nan 8.230 nan 0.000 0.499 116 R N 1.980 122.489 120.500 0.014 0.000 2.140 116 R HA 0.273 4.613 4.340 -0.000 0.000 0.200 116 R C -0.232 176.110 176.300 0.069 0.000 1.069 116 R CA 0.215 56.331 56.100 0.025 0.000 1.088 116 R CB 0.376 30.695 30.300 0.030 0.000 1.012 116 R HN 0.672 nan 8.270 nan 0.000 0.500 117 E N 0.019 120.281 120.200 0.103 0.000 2.317 117 E HA 0.212 4.562 4.350 -0.000 0.000 0.270 117 E C 0.040 176.732 176.600 0.153 0.000 0.885 117 E CA -0.352 56.156 56.400 0.181 0.000 0.760 117 E CB 2.607 32.432 29.700 0.210 0.000 1.227 117 E HN -0.044 nan 8.360 nan 0.000 0.434 118 L N 1.189 122.555 121.223 0.239 0.000 2.109 118 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 118 L C 0.471 177.393 176.870 0.087 0.000 1.086 118 L CA 0.893 55.863 54.840 0.217 0.000 0.760 118 L CB -0.037 42.280 42.059 0.430 0.000 0.910 118 L HN 0.674 nan 8.230 nan 0.000 0.437 119 Q N 0.110 119.992 119.800 0.137 0.000 2.457 119 Q HA -0.221 4.119 4.340 -0.000 0.000 0.283 119 Q C -0.032 175.777 176.000 -0.319 0.000 1.234 119 Q CA 0.497 56.282 55.803 -0.029 0.000 0.877 119 Q CB -1.973 26.745 28.738 -0.033 0.000 1.250 119 Q HN 0.491 nan 8.270 nan 0.000 0.481 120 L N 0.962 121.712 121.223 -0.788 0.000 2.865 120 L HA 0.143 4.483 4.340 -0.000 0.000 0.233 120 L C 1.791 177.770 176.870 -1.485 0.000 1.320 120 L CA -0.070 54.065 54.840 -1.175 0.000 1.225 120 L CB -0.089 41.138 42.059 -1.387 0.000 1.542 120 L HN 0.236 nan 8.230 nan 0.000 0.432 121 R N -2.375 117.634 120.500 -0.818 0.000 2.316 121 R HA 0.032 4.372 4.340 -0.000 0.000 0.202 121 R C 1.258 177.398 176.300 -0.266 0.000 1.029 121 R CA 0.568 56.382 56.100 -0.476 0.000 1.018 121 R CB -0.153 30.047 30.300 -0.166 0.000 0.888 121 R HN 0.163 nan 8.270 nan 0.000 0.471 122 S N 0.440 115.965 115.700 -0.292 0.000 2.512 122 S HA 0.144 4.614 4.470 -0.000 0.000 0.216 122 S C 0.124 174.635 174.600 -0.148 0.000 1.006 122 S CA -0.584 57.517 58.200 -0.164 0.000 0.915 122 S CB 0.251 63.371 63.200 -0.132 0.000 0.824 122 S HN 0.164 nan 8.310 nan 0.000 0.497 123 L N 3.489 124.566 121.223 -0.243 0.000 2.704 123 L HA 0.159 4.499 4.340 -0.000 0.000 0.279 123 L C 0.642 177.503 176.870 -0.015 0.000 1.147 123 L CA 1.016 55.767 54.840 -0.148 0.000 0.994 123 L CB -0.448 41.472 42.059 -0.232 0.000 1.332 123 L HN -0.000 nan 8.230 nan 0.000 0.471 124 T N 1.997 116.552 114.554 0.001 0.000 2.971 124 T HA 0.184 4.534 4.350 -0.000 0.000 0.252 124 T C 0.030 174.761 174.700 0.051 0.000 1.022 124 T CA 0.098 62.217 62.100 0.032 0.000 0.980 124 T CB 0.318 69.198 68.868 0.019 0.000 1.044 124 T HN 0.456 nan 8.240 nan 0.000 0.501 125 E N 0.878 121.109 120.200 0.052 0.000 2.260 125 E HA 0.539 4.889 4.350 -0.000 0.000 0.266 125 E C -1.703 174.957 176.600 0.100 0.000 0.887 125 E CA -0.419 56.029 56.400 0.080 0.000 0.777 125 E CB 0.942 30.668 29.700 0.042 0.000 1.205 125 E HN 0.152 nan 8.360 nan 0.000 0.414 126 I N 6.502 127.177 120.570 0.175 0.000 2.382 126 I HA 0.214 4.384 4.170 -0.000 0.000 0.285 126 I C 0.745 177.013 176.117 0.251 0.000 1.007 126 I CA -0.358 61.081 61.300 0.233 0.000 1.142 126 I CB 1.241 39.455 38.000 0.357 0.000 1.289 126 I HN 0.635 nan 8.210 nan 0.000 0.453 127 L N 5.000 126.304 121.223 0.134 0.000 2.131 127 L HA 0.139 4.479 4.340 -0.000 0.000 0.206 127 L C 0.929 177.860 176.870 0.102 0.000 1.087 127 L CA 1.132 56.016 54.840 0.073 0.000 0.767 127 L CB -0.009 42.019 42.059 -0.051 0.000 0.917 127 L HN 0.482 nan 8.230 nan 0.000 0.441 128 K N -0.652 119.808 120.400 0.099 0.000 2.525 128 K HA 0.465 4.785 4.320 -0.000 0.000 0.254 128 K C -0.666 175.975 176.600 0.068 0.000 0.934 128 K CA 0.245 56.569 56.287 0.062 0.000 0.802 128 K CB 2.124 34.647 32.500 0.038 0.000 1.295 128 K HN 0.100 nan 8.250 nan 0.000 0.433 129 G N 1.193 109.994 108.800 0.001 0.000 2.756 129 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.678 129 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.678 129 G C -0.230 174.672 174.900 0.004 0.000 1.349 129 G CA -0.480 44.609 45.100 -0.018 0.000 0.847 129 G HN 0.859 nan 8.290 nan 0.000 0.548 130 G N -1.973 106.847 108.800 0.033 0.000 3.075 130 G HA2 0.840 4.800 3.960 -0.000 0.000 0.253 130 G HA3 0.840 4.800 3.960 -0.000 0.000 0.253 130 G C -0.832 174.329 174.900 0.434 0.000 1.353 130 G CA 0.059 45.247 45.100 0.148 0.000 1.051 130 G HN 1.557 nan 8.290 nan 0.000 0.553 131 V N 0.333 120.475 119.914 0.380 0.000 2.487 131 V HA 0.504 4.624 4.120 -0.000 0.000 0.298 131 V C -0.914 175.059 176.094 -0.202 0.000 1.028 131 V CA -0.567 61.757 62.300 0.040 0.000 0.860 131 V CB 1.341 32.949 31.823 -0.360 0.000 0.991 131 V HN 0.600 nan 8.190 nan 0.000 0.427 132 L N 7.292 128.251 121.223 -0.439 0.000 2.319 132 L HA 0.720 5.060 4.340 -0.000 0.000 0.281 132 L C -0.871 175.750 176.870 -0.415 0.000 1.005 132 L CA 0.214 54.639 54.840 -0.691 0.000 0.828 132 L CB 1.088 42.363 42.059 -1.308 0.000 1.227 132 L HN 0.584 nan 8.230 nan 0.000 0.415 133 I N 5.109 125.487 120.570 -0.319 0.000 2.468 133 I HA 0.506 4.676 4.170 -0.000 0.000 0.285 133 I C -0.674 175.342 176.117 -0.168 0.000 1.039 133 I CA -0.330 60.843 61.300 -0.212 0.000 1.074 133 I CB 1.686 39.599 38.000 -0.145 0.000 1.228 133 I HN 0.603 nan 8.210 nan 0.000 0.436 134 Q N 4.812 124.517 119.800 -0.159 0.000 2.320 134 Q HA 0.493 4.833 4.340 -0.000 0.000 0.272 134 Q C -0.931 174.996 176.000 -0.122 0.000 1.023 134 Q CA -1.059 54.666 55.803 -0.128 0.000 0.855 134 Q CB 2.723 31.384 28.738 -0.129 0.000 1.367 134 Q HN 0.484 nan 8.270 nan 0.000 0.406 135 R N 1.918 122.361 120.500 -0.095 0.000 3.152 135 R HA -0.152 4.188 4.340 -0.000 0.000 0.252 135 R C -1.199 175.041 176.300 -0.100 0.000 0.930 135 R CA 0.464 56.510 56.100 -0.090 0.000 0.642 135 R CB -1.292 28.953 30.300 -0.092 0.000 1.205 135 R HN 0.512 nan 8.270 nan 0.000 0.452 136 N N 0.678 119.329 118.700 -0.083 0.000 2.682 136 N HA 0.158 4.898 4.740 -0.000 0.000 0.252 136 N C -2.302 173.173 175.510 -0.060 0.000 1.081 136 N CA -1.458 51.547 53.050 -0.075 0.000 0.844 136 N CB 1.956 40.401 38.487 -0.070 0.000 1.167 136 N HN -0.009 nan 8.380 nan 0.000 0.523 137 P HA -0.007 nan 4.420 nan 0.000 0.229 137 P C 0.719 177.988 177.300 -0.052 0.000 1.160 137 P CA 1.072 64.142 63.100 -0.050 0.000 0.777 137 P CB 0.516 32.191 31.700 -0.041 0.000 0.814 138 Q N -1.032 118.738 119.800 -0.049 0.000 2.219 138 Q HA 0.199 4.539 4.340 -0.000 0.000 0.209 138 Q C 0.164 176.131 176.000 -0.056 0.000 0.854 138 Q CA -0.363 55.409 55.803 -0.051 0.000 0.960 138 Q CB 0.247 28.964 28.738 -0.036 0.000 1.116 138 Q HN 0.253 nan 8.270 nan 0.000 0.500 139 L N 0.800 121.991 121.223 -0.054 0.000 2.305 139 L HA 0.259 4.599 4.340 -0.000 0.000 0.281 139 L C -0.808 176.007 176.870 -0.092 0.000 1.085 139 L CA -0.024 54.791 54.840 -0.042 0.000 0.813 139 L CB 0.949 42.998 42.059 -0.016 0.000 1.157 139 L HN 0.019 nan 8.230 nan 0.000 0.436 140 c N 3.455 121.980 118.600 -0.124 0.000 2.667 140 c HA 0.514 5.084 4.570 -0.000 0.000 0.323 140 c C -0.100 173.855 174.090 -0.225 0.000 1.214 140 c CA -0.353 55.751 56.329 -0.375 0.000 1.721 140 c CB 0.866 42.906 42.510 -0.784 0.000 2.275 140 c HN 0.960 nan 8.230 nan 0.000 0.491 141 Y N -0.515 119.779 120.300 -0.009 0.000 4.907 141 Y HA -0.302 4.248 4.550 0.000 0.000 0.246 141 Y C 2.059 177.918 175.900 -0.068 0.000 0.968 141 Y CA 0.993 59.065 58.100 -0.045 0.000 1.961 141 Y CB -1.534 36.897 38.460 -0.047 0.000 1.487 141 Y HN 0.825 nan 8.280 nan 0.000 0.575 142 Q N 1.649 121.511 119.800 0.104 0.000 2.311 142 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 142 Q C 0.985 177.104 176.000 0.198 0.000 0.954 142 Q CA 1.849 57.758 55.803 0.176 0.000 0.885 142 Q CB -0.247 28.628 28.738 0.228 0.000 0.963 142 Q HN 0.702 nan 8.270 nan 0.000 0.471 143 D N 0.026 120.486 120.400 0.100 0.000 2.324 143 D HA 0.008 4.648 4.640 -0.000 0.000 0.235 143 D C 0.875 177.193 176.300 0.029 0.000 1.095 143 D CA 0.296 54.352 54.000 0.093 0.000 0.871 143 D CB 0.255 41.080 40.800 0.041 0.000 0.906 143 D HN 0.079 nan 8.370 nan 0.000 0.522 144 T N -0.267 114.260 114.554 -0.044 0.000 3.000 144 T HA 0.162 4.512 4.350 -0.000 0.000 0.248 144 T C 0.837 175.356 174.700 -0.302 0.000 1.034 144 T CA -0.341 61.685 62.100 -0.122 0.000 1.060 144 T CB 0.351 69.183 68.868 -0.060 0.000 0.983 144 T HN 0.025 nan 8.240 nan 0.000 0.482 145 I N 2.979 123.230 120.570 -0.531 0.000 2.648 145 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 145 I C 0.477 176.130 176.117 -0.774 0.000 1.153 145 I CA -0.225 60.496 61.300 -0.965 0.000 1.426 145 I CB 0.439 37.337 38.000 -1.837 0.000 1.381 145 I HN 0.177 nan 8.210 nan 0.000 0.571 146 L N 7.473 128.348 121.223 -0.580 0.000 2.395 146 L HA 0.027 4.367 4.340 -0.000 0.000 0.268 146 L C 0.420 177.091 176.870 -0.331 0.000 1.223 146 L CA 0.062 54.709 54.840 -0.323 0.000 1.093 146 L CB -0.323 41.612 42.059 -0.207 0.000 1.349 146 L HN 0.705 nan 8.230 nan 0.000 0.427 147 W N 2.231 123.441 121.300 -0.150 0.000 2.374 147 W HA -0.233 4.427 4.660 0.000 0.000 0.288 147 W C 2.309 178.672 176.519 -0.261 0.000 1.218 147 W CA 0.847 58.033 57.345 -0.264 0.000 1.245 147 W CB -0.080 29.253 29.460 -0.211 0.000 1.126 147 W HN 0.467 nan 8.180 nan 0.000 0.545 148 K N 0.821 121.327 120.400 0.177 0.000 2.113 148 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 148 K C 1.834 178.510 176.600 0.127 0.000 1.047 148 K CA 2.141 58.562 56.287 0.223 0.000 0.928 148 K CB -0.509 32.086 32.500 0.158 0.000 0.716 148 K HN 0.088 nan 8.250 nan 0.000 0.446 149 D N 0.100 120.511 120.400 0.018 0.000 2.149 149 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 149 D C 1.874 178.181 176.300 0.013 0.000 0.972 149 D CA 1.138 55.140 54.000 0.003 0.000 0.835 149 D CB 0.139 40.912 40.800 -0.045 0.000 0.966 149 D HN 0.355 nan 8.370 nan 0.000 0.476 150 I N 0.031 120.568 120.570 -0.055 0.000 2.233 150 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 150 I C 0.810 176.969 176.117 0.071 0.000 1.093 150 I CA 0.180 61.460 61.300 -0.033 0.000 1.380 150 I CB -0.338 37.612 38.000 -0.084 0.000 1.067 150 I HN -0.154 nan 8.210 nan 0.000 0.413 151 F N 1.735 121.797 119.950 0.187 0.000 2.608 151 F HA -0.030 4.497 4.527 0.000 0.000 0.380 151 F C 1.304 177.193 175.800 0.148 0.000 1.083 151 F CA -0.018 58.081 58.000 0.166 0.000 1.266 151 F CB -0.123 38.965 39.000 0.146 0.000 1.076 151 F HN 0.139 nan 8.300 nan 0.000 0.574 152 H N 4.066 123.287 119.070 0.252 0.000 2.852 152 H HA -0.029 4.527 4.556 -0.000 0.000 0.362 152 H C 1.255 176.655 175.328 0.120 0.000 1.122 152 H CA 0.086 56.217 56.048 0.138 0.000 1.419 152 H CB 0.852 30.665 29.762 0.086 0.000 1.401 152 H HN 0.730 nan 8.280 nan 0.000 0.609 153 K N 2.267 122.329 120.400 -0.564 0.000 2.173 153 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 153 K C 0.734 177.239 176.600 -0.160 0.000 1.046 153 K CA 1.628 57.703 56.287 -0.353 0.000 0.929 153 K CB 0.157 32.388 32.500 -0.448 0.000 0.720 153 K HN 0.547 nan 8.250 nan 0.000 0.453 154 N N 0.907 119.576 118.700 -0.053 0.000 2.270 154 N HA -0.060 4.680 4.740 -0.000 0.000 0.198 154 N C -0.307 175.280 175.510 0.128 0.000 1.117 154 N CA 0.065 53.192 53.050 0.128 0.000 0.845 154 N CB 0.054 38.702 38.487 0.268 0.000 0.980 154 N HN 0.132 nan 8.380 nan 0.000 0.486 155 N N 1.736 120.510 118.700 0.124 0.000 2.406 155 N HA 0.019 4.759 4.740 -0.000 0.000 0.265 155 N C 0.590 176.081 175.510 -0.032 0.000 1.203 155 N CA 0.364 53.450 53.050 0.059 0.000 0.945 155 N CB 0.604 39.139 38.487 0.080 0.000 1.165 155 N HN 0.163 nan 8.380 nan 0.000 0.485 156 Q N 2.492 122.272 119.800 -0.033 0.000 2.425 156 Q HA 0.157 4.497 4.340 -0.000 0.000 0.204 156 Q C 0.187 176.127 176.000 -0.100 0.000 0.933 156 Q CA 0.655 56.425 55.803 -0.054 0.000 0.939 156 Q CB 0.368 29.089 28.738 -0.028 0.000 1.044 156 Q HN 0.601 nan 8.270 nan 0.000 0.513 157 L N -0.093 121.046 121.223 -0.140 0.000 3.168 157 L HA 0.424 4.764 4.340 -0.000 0.000 0.277 157 L C -0.108 176.562 176.870 -0.333 0.000 1.308 157 L CA -0.619 54.106 54.840 -0.191 0.000 0.976 157 L CB 0.751 42.713 42.059 -0.161 0.000 1.383 157 L HN -0.115 nan 8.230 nan 0.000 0.572 158 A N 2.843 125.395 122.820 -0.447 0.000 2.797 158 A HA 0.526 4.846 4.320 -0.000 0.000 0.296 158 A C 0.118 177.244 177.584 -0.764 0.000 1.580 158 A CA -0.031 51.394 52.037 -1.020 0.000 1.277 158 A CB -0.336 18.194 19.000 -0.784 0.000 1.101 158 A HN 0.372 nan 8.150 nan 0.000 0.562 159 L N -1.049 119.839 121.223 -0.559 0.000 2.303 159 L HA 0.885 5.225 4.340 -0.000 0.000 0.256 159 L C -0.676 176.235 176.870 0.068 0.000 1.034 159 L CA -0.489 54.262 54.840 -0.150 0.000 0.832 159 L CB 1.144 43.150 42.059 -0.089 0.000 1.403 159 L HN 0.167 nan 8.230 nan 0.000 0.419 160 T N 1.963 116.566 114.554 0.081 0.000 2.861 160 T HA 0.693 5.043 4.350 -0.000 0.000 0.287 160 T C -1.301 173.398 174.700 -0.001 0.000 1.003 160 T CA -0.272 61.835 62.100 0.012 0.000 0.977 160 T CB 1.693 70.533 68.868 -0.047 0.000 0.996 160 T HN 0.559 nan 8.240 nan 0.000 0.448 161 L N 5.833 127.011 121.223 -0.074 0.000 2.457 161 L HA 0.686 5.026 4.340 -0.000 0.000 0.266 161 L C -1.604 175.170 176.870 -0.161 0.000 0.979 161 L CA -0.327 54.461 54.840 -0.086 0.000 0.857 161 L CB 0.644 42.671 42.059 -0.053 0.000 1.213 161 L HN 0.622 nan 8.230 nan 0.000 0.418 162 I N 3.002 123.500 120.570 -0.119 0.000 2.545 162 I HA 0.422 4.592 4.170 -0.000 0.000 0.292 162 I C -1.072 175.004 176.117 -0.068 0.000 1.040 162 I CA -0.679 60.552 61.300 -0.115 0.000 1.068 162 I CB 2.354 40.287 38.000 -0.110 0.000 1.251 162 I HN 0.487 nan 8.210 nan 0.000 0.424 163 D N 2.776 123.135 120.400 -0.068 0.000 2.278 163 D HA 0.415 5.055 4.640 -0.000 0.000 0.245 163 D C 0.122 176.396 176.300 -0.043 0.000 1.052 163 D CA -0.333 53.636 54.000 -0.053 0.000 0.834 163 D CB 1.562 42.323 40.800 -0.064 0.000 1.194 163 D HN 0.599 nan 8.370 nan 0.000 0.481 164 T N 0.396 114.928 114.554 -0.036 0.000 3.331 164 T HA 0.247 4.597 4.350 -0.000 0.000 0.282 164 T C 0.345 175.018 174.700 -0.045 0.000 1.010 164 T CA -0.818 61.259 62.100 -0.039 0.000 0.928 164 T CB -0.584 68.265 68.868 -0.031 0.000 1.154 164 T HN 0.212 nan 8.240 nan 0.000 0.516 165 N N 2.079 120.753 118.700 -0.044 0.000 2.483 165 N HA 0.308 5.048 4.740 -0.000 0.000 0.264 165 N C -0.368 175.112 175.510 -0.051 0.000 1.197 165 N CA 0.045 53.069 53.050 -0.043 0.000 0.927 165 N CB 0.404 38.868 38.487 -0.039 0.000 1.065 165 N HN 0.438 nan 8.380 nan 0.000 0.461 166 R N 1.333 121.801 120.500 -0.053 0.000 2.740 166 R HA 0.371 4.711 4.340 -0.000 0.000 0.273 166 R C -0.340 175.927 176.300 -0.055 0.000 0.998 166 R CA -0.576 55.487 56.100 -0.062 0.000 0.900 166 R CB 1.407 31.659 30.300 -0.080 0.000 1.223 166 R HN 0.495 nan 8.270 nan 0.000 0.466 167 S N 0.856 116.523 115.700 -0.056 0.000 2.578 167 S HA 0.133 4.603 4.470 -0.000 0.000 0.231 167 S C -0.299 174.268 174.600 -0.055 0.000 0.994 167 S CA -0.301 57.871 58.200 -0.048 0.000 0.956 167 S CB 0.162 63.340 63.200 -0.038 0.000 0.870 167 S HN 0.516 nan 8.310 nan 0.000 0.494 168 R N 0.221 120.676 120.500 -0.074 0.000 2.771 168 R HA 0.815 5.155 4.340 -0.000 0.000 0.274 168 R C -1.069 175.159 176.300 -0.121 0.000 0.987 168 R CA -0.845 55.200 56.100 -0.092 0.000 0.908 168 R CB 1.072 31.315 30.300 -0.096 0.000 1.213 168 R HN -0.005 nan 8.270 nan 0.000 0.468 169 A N 2.129 124.867 122.820 -0.136 0.000 2.409 169 A HA 0.397 4.717 4.320 -0.000 0.000 0.262 169 A C -0.098 177.331 177.584 -0.259 0.000 1.113 169 A CA -0.633 51.306 52.037 -0.163 0.000 0.790 169 A CB 0.207 19.128 19.000 -0.132 0.000 1.046 169 A HN 0.790 nan 8.150 nan 0.000 0.496 170 c N 2.629 121.082 118.600 -0.245 0.000 2.604 170 c HA 0.416 4.986 4.570 -0.000 0.000 0.396 170 c C 0.695 174.655 174.090 -0.217 0.000 1.282 170 c CA -0.488 55.658 56.329 -0.305 0.000 2.292 170 c CB -0.508 41.781 42.510 -0.368 0.000 2.633 170 c HN 0.851 nan 8.230 nan 0.000 0.620 171 H N 1.272 120.364 119.070 0.036 0.000 2.488 171 H HA 0.388 4.944 4.556 0.000 0.000 0.347 171 H C -1.968 173.490 175.328 0.216 0.000 1.174 171 H CA -1.594 54.521 56.048 0.112 0.000 1.307 171 H CB 0.242 30.078 29.762 0.124 0.000 1.517 171 H HN 0.444 nan 8.280 nan 0.000 0.554 172 P HA 0.048 nan 4.420 nan 0.000 0.273 172 P C -0.028 177.375 177.300 0.171 0.000 1.250 172 P CA -0.374 62.852 63.100 0.210 0.000 0.793 172 P CB 0.581 32.343 31.700 0.104 0.000 1.011 173 c N -0.085 118.550 118.600 0.058 0.000 2.745 173 c HA 0.159 4.729 4.570 -0.000 0.000 0.387 173 c C 1.435 175.479 174.090 -0.076 0.000 1.312 173 c CA -0.062 56.197 56.329 -0.118 0.000 2.204 173 c CB -0.463 41.964 42.510 -0.138 0.000 2.686 173 c HN 0.610 nan 8.230 nan 0.000 0.705 174 S N 2.026 117.662 115.700 -0.107 0.000 2.558 174 S HA 0.018 4.488 4.470 -0.000 0.000 0.293 174 S C -1.253 173.315 174.600 -0.054 0.000 1.292 174 S CA -0.557 57.601 58.200 -0.070 0.000 1.063 174 S CB 0.322 63.479 63.200 -0.072 0.000 0.831 174 S HN 0.586 nan 8.310 nan 0.000 0.499 175 P HA -0.117 nan 4.420 nan 0.000 0.218 175 P C 1.269 178.548 177.300 -0.035 0.000 1.146 175 P CA 1.262 64.343 63.100 -0.032 0.000 0.813 175 P CB 0.037 31.720 31.700 -0.028 0.000 0.778 176 M N -1.953 117.624 119.600 -0.039 0.000 2.374 176 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 176 M C 0.299 176.573 176.300 -0.043 0.000 1.067 176 M CA 0.781 56.058 55.300 -0.037 0.000 1.103 176 M CB -0.557 32.022 32.600 -0.036 0.000 1.402 176 M HN -0.165 nan 8.290 nan 0.000 0.444 177 c N 1.014 119.582 118.600 -0.054 0.000 2.629 177 c HA 0.050 4.620 4.570 -0.000 0.000 0.410 177 c C 1.907 175.964 174.090 -0.055 0.000 1.339 177 c CA -0.764 55.527 56.329 -0.063 0.000 1.810 177 c CB 0.215 42.672 42.510 -0.087 0.000 2.549 177 c HN 0.488 nan 8.230 nan 0.000 0.589 178 K N 3.107 123.476 120.400 -0.052 0.000 2.009 178 K HA -0.043 4.277 4.320 -0.000 0.000 0.210 178 K C 1.184 177.756 176.600 -0.047 0.000 1.049 178 K CA 1.954 58.214 56.287 -0.045 0.000 0.929 178 K CB -0.325 32.150 32.500 -0.042 0.000 0.714 178 K HN 0.875 nan 8.250 nan 0.000 0.440 179 G N -1.319 107.445 108.800 -0.060 0.000 2.702 179 G HA2 0.182 4.142 3.960 -0.000 0.000 0.254 179 G HA3 0.182 4.142 3.960 -0.000 0.000 0.254 179 G C 0.375 175.236 174.900 -0.065 0.000 1.380 179 G CA 0.002 45.066 45.100 -0.060 0.000 1.042 179 G HN 0.281 nan 8.290 nan 0.000 0.557 180 S N -1.212 114.450 115.700 -0.063 0.000 2.528 180 S HA -0.026 4.444 4.470 -0.000 0.000 0.244 180 S C 1.135 175.678 174.600 -0.095 0.000 0.982 180 S CA 0.477 58.642 58.200 -0.058 0.000 0.953 180 S CB -0.119 63.055 63.200 -0.044 0.000 0.754 180 S HN 0.380 nan 8.310 nan 0.000 0.529 181 R N 1.295 121.712 120.500 -0.138 0.000 2.298 181 R HA 0.516 4.856 4.340 -0.000 0.000 0.310 181 R C -0.324 175.826 176.300 -0.249 0.000 1.068 181 R CA 0.351 56.317 56.100 -0.223 0.000 0.957 181 R CB 0.488 30.647 30.300 -0.234 0.000 1.003 181 R HN 0.625 nan 8.270 nan 0.000 0.454 182 c N 0.212 118.606 118.600 -0.343 0.000 3.289 182 c HA 0.351 4.921 4.570 -0.000 0.000 0.354 182 c C -0.471 173.393 174.090 -0.377 0.000 1.201 182 c CA -1.394 54.737 56.329 -0.330 0.000 1.199 182 c CB 0.205 42.514 42.510 -0.335 0.000 1.511 182 c HN 1.089 nan 8.230 nan 0.000 0.506 183 W N 1.958 123.145 121.300 -0.188 0.000 3.330 183 W HA 0.533 5.193 4.660 -0.000 0.000 0.348 183 W C 1.183 177.639 176.519 -0.106 0.000 1.205 183 W CA 0.741 58.016 57.345 -0.116 0.000 1.841 183 W CB 0.804 30.199 29.460 -0.108 0.000 1.084 183 W HN 1.379 nan 8.180 nan 0.000 0.665 184 G N -0.638 108.080 108.800 -0.137 0.000 2.313 184 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.296 184 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.296 184 G C -0.258 174.332 174.900 -0.517 0.000 1.356 184 G CA -0.644 44.325 45.100 -0.218 0.000 0.833 184 G HN -0.034 nan 8.290 nan 0.000 0.552 185 E N -0.507 119.537 120.200 -0.260 0.000 2.204 185 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 185 E C 1.539 178.062 176.600 -0.128 0.000 0.990 185 E CA 1.038 57.340 56.400 -0.165 0.000 0.821 185 E CB 0.018 29.769 29.700 0.086 0.000 0.750 185 E HN 0.415 nan 8.360 nan 0.000 0.477 186 S N -0.679 114.965 115.700 -0.093 0.000 2.600 186 S HA 0.003 4.473 4.470 -0.000 0.000 0.265 186 S C 1.362 175.919 174.600 -0.072 0.000 1.325 186 S CA 0.272 58.436 58.200 -0.060 0.000 1.002 186 S CB 1.338 64.517 63.200 -0.036 0.000 0.921 186 S HN 0.310 nan 8.310 nan 0.000 0.554 187 S N 1.635 117.304 115.700 -0.052 0.000 2.387 187 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 187 S C 1.180 175.757 174.600 -0.039 0.000 1.026 187 S CA 1.098 59.270 58.200 -0.048 0.000 0.972 187 S CB -0.784 62.393 63.200 -0.038 0.000 0.814 187 S HN 0.877 nan 8.310 nan 0.000 0.477 188 E N 0.777 120.958 120.200 -0.031 0.000 2.461 188 E HA 0.056 4.406 4.350 -0.000 0.000 0.196 188 E C 0.158 176.751 176.600 -0.011 0.000 1.129 188 E CA 0.342 56.729 56.400 -0.023 0.000 0.902 188 E CB -0.212 29.473 29.700 -0.025 0.000 0.963 188 E HN 0.499 nan 8.360 nan 0.000 0.503 189 D N 0.468 120.861 120.400 -0.012 0.000 2.433 189 D HA 0.072 4.712 4.640 -0.000 0.000 0.211 189 D C -0.023 176.310 176.300 0.054 0.000 1.114 189 D CA -0.157 53.863 54.000 0.032 0.000 0.837 189 D CB 0.254 41.051 40.800 -0.005 0.000 0.984 189 D HN 0.173 nan 8.370 nan 0.000 0.505 190 c N 2.233 120.828 118.600 -0.009 0.000 2.563 190 c HA 0.013 4.583 4.570 -0.000 0.000 0.411 190 c C 1.094 175.191 174.090 0.012 0.000 1.386 190 c CA -0.392 55.911 56.329 -0.042 0.000 1.703 190 c CB -0.804 41.677 42.510 -0.049 0.000 2.596 190 c HN 0.336 nan 8.230 nan 0.000 0.605 191 Q N 3.002 122.747 119.800 -0.091 0.000 2.297 191 Q HA 0.290 4.630 4.340 -0.000 0.000 0.267 191 Q C 0.170 176.152 176.000 -0.030 0.000 1.006 191 Q CA 0.159 55.919 55.803 -0.071 0.000 0.896 191 Q CB 0.683 29.205 28.738 -0.361 0.000 1.186 191 Q HN 0.873 nan 8.270 nan 0.000 0.392 192 S N 5.126 120.847 115.700 0.035 0.000 2.457 192 S HA 0.463 4.933 4.470 -0.000 0.000 0.289 192 S C -0.303 174.295 174.600 -0.005 0.000 1.163 192 S CA -0.890 57.314 58.200 0.006 0.000 1.078 192 S CB 0.577 63.786 63.200 0.016 0.000 0.987 192 S HN 0.656 nan 8.310 nan 0.000 0.482 193 L N 3.414 124.623 121.223 -0.022 0.000 2.357 193 L HA 0.503 4.843 4.340 -0.000 0.000 0.273 193 L C 0.829 177.695 176.870 -0.007 0.000 1.080 193 L CA -0.515 54.310 54.840 -0.026 0.000 0.803 193 L CB 1.663 43.698 42.059 -0.039 0.000 1.174 193 L HN 0.892 nan 8.230 nan 0.000 0.443 194 T N -0.789 113.766 114.554 0.001 0.000 3.092 194 T HA 0.115 4.465 4.350 -0.000 0.000 0.273 194 T C 1.267 175.979 174.700 0.020 0.000 0.898 194 T CA -0.186 61.923 62.100 0.015 0.000 0.868 194 T CB 0.535 69.418 68.868 0.025 0.000 1.228 194 T HN 0.530 nan 8.240 nan 0.000 0.555 195 R N 1.268 121.777 120.500 0.015 0.000 2.197 195 R HA 0.078 4.418 4.340 -0.000 0.000 0.188 195 R C 2.219 178.522 176.300 0.005 0.000 1.015 195 R CA 1.234 57.343 56.100 0.015 0.000 1.132 195 R CB -0.074 30.240 30.300 0.024 0.000 1.134 195 R HN 0.263 nan 8.270 nan 0.000 0.560 196 T N -1.838 112.717 114.554 0.002 0.000 3.163 196 T HA 0.016 4.366 4.350 -0.000 0.000 0.260 196 T C 1.132 175.829 174.700 -0.005 0.000 1.156 196 T CA 0.566 62.665 62.100 -0.001 0.000 1.072 196 T CB 0.647 69.513 68.868 -0.005 0.000 0.937 196 T HN 0.066 nan 8.240 nan 0.000 0.528 197 V N 0.614 120.525 119.914 -0.005 0.000 3.159 197 V HA 0.367 4.487 4.120 -0.000 0.000 0.333 197 V C 0.039 176.132 176.094 -0.003 0.000 1.424 197 V CA -0.867 61.429 62.300 -0.006 0.000 1.125 197 V CB -0.811 31.006 31.823 -0.011 0.000 1.075 197 V HN 0.621 nan 8.190 nan 0.000 0.482 198 c N 2.095 120.695 118.600 -0.000 0.000 2.405 198 c HA 0.787 5.357 4.570 -0.000 0.000 0.365 198 c C 1.006 175.096 174.090 0.000 0.000 1.233 198 c CA -0.548 55.782 56.329 0.002 0.000 2.230 198 c CB 0.729 43.241 42.510 0.005 0.000 2.443 198 c HN 0.648 nan 8.230 nan 0.000 0.556 199 A N 2.758 125.578 122.820 0.001 0.000 2.388 199 A HA 0.634 4.954 4.320 -0.000 0.000 0.257 199 A C 0.876 178.459 177.584 -0.001 0.000 1.095 199 A CA 0.772 52.809 52.037 -0.001 0.000 0.791 199 A CB -0.563 18.437 19.000 -0.000 0.000 1.029 199 A HN 2.255 nan 8.150 nan 0.000 0.489 200 G N 1.577 110.375 108.800 -0.002 0.000 2.569 200 G HA2 0.043 4.003 3.960 -0.000 0.000 0.259 200 G HA3 0.043 4.003 3.960 -0.000 0.000 0.259 200 G C 1.092 175.989 174.900 -0.004 0.000 1.263 200 G CA 0.332 45.430 45.100 -0.003 0.000 0.928 200 G HN 1.922 nan 8.290 nan 0.000 0.572 201 G N -0.624 108.173 108.800 -0.005 0.000 2.679 201 G HA2 0.197 4.157 3.960 -0.000 0.000 0.212 201 G HA3 0.197 4.157 3.960 -0.000 0.000 0.212 201 G C 1.123 176.020 174.900 -0.006 0.000 1.137 201 G CA 1.217 46.314 45.100 -0.006 0.000 0.787 201 G HN 1.244 nan 8.290 nan 0.000 0.534 202 c N 1.240 119.838 118.600 -0.003 0.000 2.334 202 c HA 0.217 4.787 4.570 -0.000 0.000 0.395 202 c C 2.305 176.397 174.090 0.003 0.000 1.507 202 c CA 0.251 56.582 56.329 0.003 0.000 1.494 202 c CB -0.088 42.426 42.510 0.007 0.000 2.509 202 c HN 0.576 nan 8.230 nan 0.000 0.599 203 A N 5.029 127.857 122.820 0.013 0.000 1.929 203 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 203 A C 1.137 178.741 177.584 0.033 0.000 1.176 203 A CA 1.341 53.380 52.037 0.003 0.000 0.628 203 A CB 0.108 19.137 19.000 0.049 0.000 0.816 203 A HN 0.853 nan 8.150 nan 0.000 0.444 204 R N -1.870 118.663 120.500 0.055 0.000 2.707 204 R HA 0.507 4.847 4.340 -0.000 0.000 0.272 204 R C -1.175 175.151 176.300 0.044 0.000 1.011 204 R CA 0.103 56.237 56.100 0.057 0.000 0.893 204 R CB 1.453 31.803 30.300 0.082 0.000 1.233 204 R HN 0.610 nan 8.270 nan 0.000 0.464 205 c N -0.791 117.829 118.600 0.034 0.000 3.340 205 c HA 0.582 5.152 4.570 -0.000 0.000 0.333 205 c C 0.505 174.609 174.090 0.023 0.000 1.464 205 c CA -0.865 55.481 56.329 0.027 0.000 1.337 205 c CB 2.014 44.535 42.510 0.018 0.000 1.740 205 c HN 0.976 nan 8.230 nan 0.000 0.450 206 K N 0.659 121.071 120.400 0.019 0.000 2.469 206 K HA 0.567 4.887 4.320 -0.000 0.000 0.204 206 K C 0.319 176.924 176.600 0.008 0.000 1.047 206 K CA 0.734 57.030 56.287 0.014 0.000 1.072 206 K CB 0.553 33.063 32.500 0.016 0.000 0.863 206 K HN 1.693 nan 8.250 nan 0.000 0.530 207 G N 1.520 110.324 108.800 0.007 0.000 2.315 207 G HA2 0.119 4.079 3.960 -0.000 0.000 0.294 207 G HA3 0.119 4.079 3.960 -0.000 0.000 0.294 207 G C -2.806 172.096 174.900 0.002 0.000 1.300 207 G CA -0.777 44.324 45.100 0.003 0.000 0.843 207 G HN -0.189 nan 8.290 nan 0.000 0.527 208 P HA 0.103 nan 4.420 nan 0.000 0.220 208 P C 0.925 178.226 177.300 0.000 0.000 1.152 208 P CA 0.458 63.558 63.100 -0.001 0.000 0.812 208 P CB 0.187 31.885 31.700 -0.003 0.000 0.792 209 L N 0.433 121.657 121.223 0.002 0.000 2.452 209 L HA 0.141 4.481 4.340 -0.000 0.000 0.267 209 L C -1.038 175.834 176.870 0.003 0.000 1.188 209 L CA -1.649 53.193 54.840 0.002 0.000 0.821 209 L CB -0.670 41.390 42.059 0.003 0.000 1.102 209 L HN -0.212 nan 8.230 nan 0.000 0.470 210 P HA -0.195 nan 4.420 nan 0.000 0.216 210 P C 1.587 178.889 177.300 0.004 0.000 1.150 210 P CA 1.492 64.593 63.100 0.002 0.000 0.843 210 P CB 0.029 31.730 31.700 0.000 0.000 0.787 211 T N -3.117 111.440 114.554 0.006 0.000 3.007 211 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 211 T C 1.111 175.820 174.700 0.014 0.000 1.107 211 T CA 1.135 63.240 62.100 0.010 0.000 1.118 211 T CB -0.938 67.936 68.868 0.010 0.000 0.889 211 T HN -0.047 nan 8.240 nan 0.000 0.506 212 D N 0.505 120.913 120.400 0.012 0.000 2.349 212 D HA 0.174 4.814 4.640 -0.000 0.000 0.224 212 D C 0.442 176.753 176.300 0.019 0.000 1.029 212 D CA -0.123 53.886 54.000 0.015 0.000 0.879 212 D CB -0.667 40.139 40.800 0.010 0.000 0.906 212 D HN 0.437 nan 8.370 nan 0.000 0.528 213 c N 0.852 119.463 118.600 0.018 0.000 2.652 213 c HA 0.194 4.764 4.570 -0.000 0.000 0.412 213 c C 1.172 175.283 174.090 0.035 0.000 1.294 213 c CA -0.768 55.573 56.329 0.021 0.000 2.127 213 c CB 0.212 42.728 42.510 0.009 0.000 2.691 213 c HN 0.348 nan 8.230 nan 0.000 0.615 214 c N 3.303 121.932 118.600 0.047 0.000 2.443 214 c HA 0.257 4.827 4.570 -0.000 0.000 0.369 214 c C 0.747 174.897 174.090 0.099 0.000 1.241 214 c CA -0.416 55.962 56.329 0.081 0.000 2.413 214 c CB -0.018 42.543 42.510 0.085 0.000 2.451 214 c HN 0.847 nan 8.230 nan 0.000 0.595 215 H N 1.721 120.825 119.070 0.058 0.000 2.871 215 H HA -0.018 4.538 4.556 -0.000 0.000 0.355 215 H C 1.226 176.593 175.328 0.065 0.000 1.092 215 H CA 0.988 57.075 56.048 0.065 0.000 1.420 215 H CB 0.586 30.409 29.762 0.101 0.000 1.400 215 H HN 0.883 nan 8.280 nan 0.000 0.604 216 E N 2.804 123.020 120.200 0.027 0.000 2.267 216 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 216 E C 0.578 177.336 176.600 0.263 0.000 0.998 216 E CA 0.882 57.355 56.400 0.121 0.000 0.830 216 E CB 0.295 30.002 29.700 0.012 0.000 0.751 216 E HN 0.572 nan 8.360 nan 0.000 0.491 217 Q N 0.028 120.116 119.800 0.479 0.000 2.403 217 Q HA 0.087 4.427 4.340 -0.000 0.000 0.203 217 Q C 0.572 176.649 176.000 0.128 0.000 0.932 217 Q CA 0.098 56.062 55.803 0.269 0.000 0.945 217 Q CB 0.039 28.901 28.738 0.207 0.000 1.045 217 Q HN 0.281 nan 8.270 nan 0.000 0.511 218 c N -0.462 118.227 118.600 0.148 0.000 2.563 218 c HA 0.495 5.065 4.570 -0.000 0.000 0.358 218 c C 1.718 175.821 174.090 0.021 0.000 1.336 218 c CA 0.276 56.649 56.329 0.073 0.000 2.454 218 c CB 0.877 43.449 42.510 0.103 0.000 2.448 218 c HN 0.521 nan 8.230 nan 0.000 0.670 219 A N -0.153 122.663 122.820 -0.008 0.000 1.937 219 A HA 0.549 4.869 4.320 -0.000 0.000 0.198 219 A C 1.417 179.002 177.584 0.002 0.000 1.635 219 A CA 0.824 52.833 52.037 -0.047 0.000 1.111 219 A CB -0.621 18.302 19.000 -0.128 0.000 1.165 219 A HN 0.968 nan 8.150 nan 0.000 0.460 220 A N -0.851 121.973 122.820 0.007 0.000 2.390 220 A HA 0.570 4.890 4.320 -0.000 0.000 0.232 220 A C 1.120 178.722 177.584 0.030 0.000 1.233 220 A CA 1.141 53.189 52.037 0.019 0.000 0.907 220 A CB -0.153 18.846 19.000 -0.001 0.000 0.967 220 A HN 2.078 nan 8.150 nan 0.000 0.512 221 G N -1.721 107.100 108.800 0.036 0.000 2.331 221 G HA2 0.344 4.304 3.960 -0.000 0.000 0.402 221 G HA3 0.344 4.304 3.960 -0.000 0.000 0.402 221 G C -0.483 174.437 174.900 0.033 0.000 1.275 221 G CA -0.190 44.931 45.100 0.035 0.000 1.003 221 G HN 1.691 nan 8.290 nan 0.000 0.500 222 c N -3.289 115.330 118.600 0.031 0.000 3.332 222 c HA 0.887 5.457 4.570 -0.000 0.000 0.329 222 c C 1.309 175.413 174.090 0.024 0.000 1.434 222 c CA 0.472 56.820 56.329 0.032 0.000 1.314 222 c CB 1.105 43.646 42.510 0.052 0.000 1.664 222 c HN 1.872 nan 8.230 nan 0.000 0.457 223 T N -2.167 112.400 114.554 0.022 0.000 3.054 223 T HA 0.594 4.944 4.350 -0.000 0.000 0.255 223 T C 0.623 175.336 174.700 0.022 0.000 1.035 223 T CA 0.658 62.768 62.100 0.016 0.000 0.941 223 T CB 0.109 68.982 68.868 0.009 0.000 1.026 223 T HN 2.100 nan 8.240 nan 0.000 0.533 224 G N 1.637 110.458 108.800 0.034 0.000 2.342 224 G HA2 0.477 4.437 3.960 -0.000 0.000 0.297 224 G HA3 0.477 4.437 3.960 -0.000 0.000 0.297 224 G C -2.723 172.216 174.900 0.064 0.000 1.313 224 G CA -0.668 44.457 45.100 0.041 0.000 0.830 224 G HN -0.179 nan 8.290 nan 0.000 0.506 225 P HA 0.173 nan 4.420 nan 0.000 0.240 225 P C 0.565 177.963 177.300 0.163 0.000 1.190 225 P CA 0.380 63.536 63.100 0.094 0.000 0.781 225 P CB 0.385 32.123 31.700 0.065 0.000 0.931 226 K N 0.400 120.900 120.400 0.166 0.000 2.132 226 K HA 0.069 4.389 4.320 -0.000 0.000 0.240 226 K C 1.556 178.319 176.600 0.271 0.000 1.036 226 K CA -0.159 56.280 56.287 0.253 0.000 0.888 226 K CB 0.048 32.650 32.500 0.170 0.000 1.071 226 K HN 0.153 nan 8.250 nan 0.000 0.502 227 H N -0.790 118.254 119.070 -0.043 0.000 2.533 227 H HA 0.074 4.630 4.556 -0.000 0.000 0.271 227 H C 0.376 175.626 175.328 -0.131 0.000 1.000 227 H CA 0.399 56.262 56.048 -0.308 0.000 1.149 227 H CB -0.192 29.083 29.762 -0.812 0.000 1.375 227 H HN 0.420 nan 8.280 nan 0.000 0.582 228 S N -0.711 114.861 115.700 -0.214 0.000 2.557 228 S HA 0.084 4.554 4.470 -0.000 0.000 0.223 228 S C 0.365 174.922 174.600 -0.073 0.000 0.969 228 S CA -0.401 57.680 58.200 -0.198 0.000 0.927 228 S CB 0.257 63.328 63.200 -0.214 0.000 0.806 228 S HN 0.164 nan 8.310 nan 0.000 0.489 229 D N 1.232 121.620 120.400 -0.018 0.000 2.402 229 D HA 0.267 4.907 4.640 -0.000 0.000 0.216 229 D C -0.179 176.131 176.300 0.015 0.000 1.128 229 D CA -0.194 53.811 54.000 0.007 0.000 0.833 229 D CB 0.278 41.099 40.800 0.034 0.000 0.971 229 D HN 0.353 nan 8.370 nan 0.000 0.503 230 c N 0.939 119.543 118.600 0.008 0.000 2.662 230 c HA 0.149 4.719 4.570 -0.000 0.000 0.420 230 c C 2.331 176.422 174.090 0.003 0.000 1.314 230 c CA -0.453 55.885 56.329 0.015 0.000 1.963 230 c CB 0.173 42.688 42.510 0.009 0.000 2.686 230 c HN 0.309 nan 8.230 nan 0.000 0.609 231 L N 2.071 123.297 121.223 0.005 0.000 2.313 231 L HA 0.147 4.487 4.340 -0.000 0.000 0.214 231 L C 1.107 177.970 176.870 -0.012 0.000 1.119 231 L CA 0.851 55.688 54.840 -0.004 0.000 0.809 231 L CB -0.343 41.715 42.059 -0.003 0.000 0.933 231 L HN 0.872 nan 8.230 nan 0.000 0.449 232 A N -1.943 120.868 122.820 -0.014 0.000 2.605 232 A HA 0.479 4.799 4.320 -0.000 0.000 0.294 232 A C -1.394 176.168 177.584 -0.037 0.000 1.062 232 A CA -0.691 51.328 52.037 -0.029 0.000 0.682 232 A CB 0.760 19.736 19.000 -0.040 0.000 1.278 232 A HN -0.068 nan 8.150 nan 0.000 0.410 233 c N 1.746 120.317 118.600 -0.048 0.000 2.369 233 c HA 0.394 4.964 4.570 -0.000 0.000 0.358 233 c C 2.114 176.114 174.090 -0.150 0.000 1.274 233 c CA -0.292 56.002 56.329 -0.058 0.000 1.935 233 c CB 0.117 42.619 42.510 -0.013 0.000 2.431 233 c HN 0.888 nan 8.230 nan 0.000 0.545 234 L N 1.497 122.594 121.223 -0.211 0.000 2.056 234 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 234 L C 1.695 178.168 176.870 -0.661 0.000 1.078 234 L CA 2.003 56.559 54.840 -0.472 0.000 0.749 234 L CB -0.130 41.578 42.059 -0.585 0.000 0.901 234 L HN 0.887 nan 8.230 nan 0.000 0.433 235 H N -3.145 115.817 119.070 -0.180 0.000 2.398 235 H HA 0.263 4.819 4.556 -0.000 0.000 0.279 235 H C -0.546 174.433 175.328 -0.581 0.000 1.114 235 H CA -0.275 55.559 56.048 -0.357 0.000 1.609 235 H CB 0.346 29.984 29.762 -0.208 0.000 1.460 235 H HN -0.056 nan 8.280 nan 0.000 0.608 236 F N 0.405 120.436 119.950 0.134 0.000 2.577 236 F HA 0.311 4.838 4.527 -0.000 0.000 0.318 236 F C -0.260 175.591 175.800 0.086 0.000 1.065 236 F CA -1.153 56.901 58.000 0.091 0.000 0.929 236 F CB 1.514 40.569 39.000 0.091 0.000 1.237 236 F HN 0.057 nan 8.300 nan 0.000 0.468 237 N N 1.274 120.164 118.700 0.316 0.000 2.699 237 N HA 0.037 4.777 4.740 -0.000 0.000 0.232 237 N C -0.971 174.687 175.510 0.247 0.000 1.027 237 N CA -0.200 52.973 53.050 0.206 0.000 0.920 237 N CB -0.012 38.554 38.487 0.133 0.000 1.148 237 N HN 0.655 nan 8.380 nan 0.000 0.509 238 H N 2.922 122.057 119.070 0.109 0.000 2.982 238 H HA 0.085 4.641 4.556 0.000 0.000 0.261 238 H C -0.189 175.162 175.328 0.038 0.000 1.603 238 H CA -0.061 56.029 56.048 0.071 0.000 1.398 238 H CB -0.008 29.794 29.762 0.066 0.000 1.693 238 H HN 0.523 nan 8.280 nan 0.000 0.535 239 S N 3.116 118.861 115.700 0.075 0.000 3.559 239 S HA -0.236 4.234 4.470 -0.000 0.000 0.369 239 S C 1.303 175.856 174.600 -0.079 0.000 0.987 239 S CA 0.969 59.150 58.200 -0.031 0.000 1.187 239 S CB -1.435 61.706 63.200 -0.098 0.000 0.914 239 S HN 1.223 nan 8.310 nan 0.000 0.480 240 G N -1.226 107.549 108.800 -0.042 0.000 2.259 240 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 240 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 240 G C -0.073 174.759 174.900 -0.113 0.000 1.001 240 G CA -0.048 45.010 45.100 -0.069 0.000 0.627 240 G HN 0.651 nan 8.290 nan 0.000 0.501 241 I N 1.715 122.208 120.570 -0.129 0.000 2.377 241 I HA 0.527 4.697 4.170 -0.000 0.000 0.293 241 I C 0.563 176.677 176.117 -0.006 0.000 0.987 241 I CA -0.686 60.497 61.300 -0.194 0.000 1.185 241 I CB 1.618 39.453 38.000 -0.275 0.000 1.341 241 I HN 0.204 nan 8.210 nan 0.000 0.455 242 c N 5.728 124.324 118.600 -0.006 0.000 2.415 242 c HA 0.495 5.065 4.570 -0.000 0.000 0.369 242 c C 0.427 174.613 174.090 0.161 0.000 1.279 242 c CA -0.358 56.022 56.329 0.084 0.000 1.886 242 c CB -0.963 41.568 42.510 0.034 0.000 2.468 242 c HN 0.719 nan 8.230 nan 0.000 0.553 243 E N 0.711 121.037 120.200 0.211 0.000 2.445 243 E HA 0.294 4.644 4.350 -0.000 0.000 0.273 243 E C 0.116 176.848 176.600 0.219 0.000 0.961 243 E CA -0.837 55.689 56.400 0.211 0.000 0.807 243 E CB 1.317 31.147 29.700 0.217 0.000 1.362 243 E HN 0.423 nan 8.360 nan 0.000 0.453 244 L N 0.535 121.806 121.223 0.079 0.000 2.162 244 L HA 0.118 4.458 4.340 -0.000 0.000 0.205 244 L C 0.144 176.837 176.870 -0.296 0.000 1.086 244 L CA 1.629 56.332 54.840 -0.227 0.000 0.778 244 L CB 0.164 41.977 42.059 -0.410 0.000 0.928 244 L HN 0.405 nan 8.230 nan 0.000 0.446 245 H N -2.827 116.345 119.070 0.169 0.000 2.941 245 H HA 0.381 4.937 4.556 -0.000 0.000 0.344 245 H C -0.926 174.318 175.328 -0.140 0.000 1.235 245 H CA -1.056 55.032 56.048 0.067 0.000 1.149 245 H CB 1.007 30.767 29.762 -0.002 0.000 1.885 245 H HN -0.117 nan 8.280 nan 0.000 0.558 246 c N 3.292 121.756 118.600 -0.228 0.000 2.365 246 c HA 0.280 4.850 4.570 -0.000 0.000 0.351 246 c C -1.742 172.193 174.090 -0.258 0.000 1.240 246 c CA -1.173 54.942 56.329 -0.356 0.000 2.062 246 c CB 0.458 42.669 42.510 -0.498 0.000 2.387 246 c HN 0.504 nan 8.230 nan 0.000 0.537 247 P HA 0.081 nan 4.420 nan 0.000 0.260 247 P C -0.115 177.072 177.300 -0.188 0.000 1.172 247 P CA 0.583 63.551 63.100 -0.219 0.000 0.760 247 P CB 0.185 31.737 31.700 -0.247 0.000 0.773 248 A N 4.059 126.799 122.820 -0.133 0.000 2.555 248 A HA -0.023 4.297 4.320 -0.000 0.000 0.233 248 A C 1.594 179.070 177.584 -0.179 0.000 1.060 248 A CA -0.062 51.894 52.037 -0.135 0.000 0.759 248 A CB -0.295 18.659 19.000 -0.078 0.000 0.995 248 A HN 0.678 nan 8.150 nan 0.000 0.506 249 L N 1.371 122.466 121.223 -0.212 0.000 2.551 249 L HA 0.051 4.391 4.340 -0.000 0.000 0.228 249 L C 0.017 176.774 176.870 -0.189 0.000 1.153 249 L CA 0.575 55.274 54.840 -0.234 0.000 0.851 249 L CB -0.234 41.667 42.059 -0.262 0.000 0.959 249 L HN 0.480 nan 8.230 nan 0.000 0.451 250 V N -1.252 118.527 119.914 -0.224 0.000 2.924 250 V HA 0.223 4.343 4.120 -0.000 0.000 0.300 250 V C -0.524 175.305 176.094 -0.441 0.000 1.227 250 V CA -0.507 61.600 62.300 -0.322 0.000 0.954 250 V CB 2.597 34.194 31.823 -0.376 0.000 1.055 250 V HN -0.113 nan 8.190 nan 0.000 0.429 251 T N 5.204 119.540 114.554 -0.363 0.000 2.799 251 T HA 0.628 4.978 4.350 -0.000 0.000 0.286 251 T C -0.952 173.554 174.700 -0.323 0.000 0.973 251 T CA 0.133 62.071 62.100 -0.269 0.000 1.035 251 T CB 0.552 69.344 68.868 -0.126 0.000 0.932 251 T HN 0.450 nan 8.240 nan 0.000 0.469 252 Y N 1.857 122.157 120.300 0.001 0.000 2.534 252 Y HA 0.354 4.904 4.550 -0.000 0.000 0.329 252 Y C 1.765 177.588 175.900 -0.128 0.000 1.154 252 Y CA -0.789 57.302 58.100 -0.015 0.000 1.192 252 Y CB 1.134 39.641 38.460 0.078 0.000 1.275 252 Y HN 0.557 nan 8.280 nan 0.000 0.491 253 N N -0.340 118.362 118.700 0.003 0.000 2.336 253 N HA -0.110 4.630 4.740 -0.000 0.000 0.177 253 N C 0.343 175.667 175.510 -0.309 0.000 1.018 253 N CA 1.595 54.569 53.050 -0.127 0.000 0.878 253 N CB 0.314 38.757 38.487 -0.072 0.000 0.997 253 N HN 0.936 nan 8.380 nan 0.000 0.433 254 T N -0.668 113.435 114.554 -0.752 0.000 7.113 254 T HA -0.132 4.218 4.350 -0.000 0.000 0.290 254 T C -0.058 174.314 174.700 -0.546 0.000 2.138 254 T CA 1.835 63.394 62.100 -0.902 0.000 3.555 254 T CB -1.124 67.508 68.868 -0.393 0.000 1.347 254 T HN 0.379 nan 8.240 nan 0.000 0.958 255 D N -0.724 119.481 120.400 -0.325 0.000 2.766 255 D HA 0.228 4.868 4.640 -0.000 0.000 0.284 255 D C 2.042 178.320 176.300 -0.037 0.000 1.050 255 D CA 1.288 55.214 54.000 -0.123 0.000 0.945 255 D CB -0.237 40.520 40.800 -0.071 0.000 1.272 255 D HN 0.426 nan 8.370 nan 0.000 0.482 256 T N -0.382 114.147 114.554 -0.041 0.000 3.035 256 T HA 0.069 4.419 4.350 -0.000 0.000 0.259 256 T C 0.451 175.241 174.700 0.150 0.000 1.078 256 T CA -0.165 61.963 62.100 0.047 0.000 1.132 256 T CB -0.048 68.840 68.868 0.034 0.000 0.900 256 T HN 0.104 nan 8.240 nan 0.000 0.480 257 F N 1.516 121.486 119.950 0.034 0.000 3.067 257 F HA -0.165 4.362 4.527 0.000 0.000 0.279 257 F C 0.457 176.338 175.800 0.134 0.000 0.945 257 F CA -0.020 58.008 58.000 0.046 0.000 0.948 257 F CB -1.006 37.950 39.000 -0.075 0.000 0.898 257 F HN 0.063 nan 8.300 nan 0.000 0.746 258 E N 0.934 121.276 120.200 0.238 0.000 2.242 258 E HA 0.528 4.878 4.350 -0.000 0.000 0.275 258 E C -0.263 176.452 176.600 0.191 0.000 1.002 258 E CA -0.302 56.220 56.400 0.204 0.000 0.841 258 E CB 1.604 31.368 29.700 0.107 0.000 1.109 258 E HN 0.135 nan 8.360 nan 0.000 0.394 259 S N 2.634 118.410 115.700 0.127 0.000 2.478 259 S HA 0.603 5.073 4.470 -0.000 0.000 0.312 259 S C 0.047 174.610 174.600 -0.062 0.000 1.094 259 S CA -0.899 57.276 58.200 -0.042 0.000 1.081 259 S CB 0.804 63.900 63.200 -0.173 0.000 1.007 259 S HN 0.392 nan 8.310 nan 0.000 0.475 260 M N 3.963 123.511 119.600 -0.088 0.000 2.288 260 M HA 0.404 4.884 4.480 -0.000 0.000 0.334 260 M C -2.248 173.987 176.300 -0.107 0.000 1.150 260 M CA -2.037 53.220 55.300 -0.072 0.000 1.118 260 M CB 0.731 33.299 32.600 -0.054 0.000 1.501 260 M HN 0.477 nan 8.290 nan 0.000 0.462 261 P HA 0.020 nan 4.420 nan 0.000 0.268 261 P C -1.287 175.966 177.300 -0.078 0.000 1.205 261 P CA -0.084 62.969 63.100 -0.077 0.000 0.771 261 P CB 0.298 31.974 31.700 -0.040 0.000 0.858 262 N N 4.050 122.694 118.700 -0.094 0.000 2.457 262 N HA 0.177 4.917 4.740 -0.000 0.000 0.250 262 N C -1.350 174.129 175.510 -0.052 0.000 0.982 262 N CA -2.495 50.508 53.050 -0.078 0.000 0.941 262 N CB 0.518 38.944 38.487 -0.102 0.000 1.120 262 N HN 0.185 nan 8.380 nan 0.000 0.505 263 P HA -0.102 nan 4.420 nan 0.000 0.222 263 P C 0.329 177.630 177.300 0.001 0.000 1.147 263 P CA 1.026 64.121 63.100 -0.008 0.000 0.790 263 P CB 0.548 32.248 31.700 -0.000 0.000 0.780 264 E N 0.096 120.295 120.200 -0.003 0.000 2.435 264 E HA 0.061 4.411 4.350 -0.000 0.000 0.195 264 E C 1.319 177.915 176.600 -0.006 0.000 1.029 264 E CA 0.121 56.534 56.400 0.021 0.000 0.865 264 E CB -0.389 29.331 29.700 0.034 0.000 0.833 264 E HN 0.215 nan 8.360 nan 0.000 0.510 265 G N 1.443 110.208 108.800 -0.059 0.000 2.491 265 G HA2 0.138 4.098 3.960 -0.000 0.000 0.238 265 G HA3 0.138 4.098 3.960 -0.000 0.000 0.238 265 G C 0.200 175.016 174.900 -0.140 0.000 1.277 265 G CA -0.224 44.797 45.100 -0.131 0.000 0.851 265 G HN -0.061 nan 8.290 nan 0.000 0.573 266 R N 0.207 120.577 120.500 -0.216 0.000 2.867 266 R HA 0.336 4.676 4.340 -0.000 0.000 0.268 266 R C -1.468 174.658 176.300 -0.290 0.000 1.014 266 R CA -0.813 55.194 56.100 -0.155 0.000 0.946 266 R CB 1.674 31.913 30.300 -0.101 0.000 1.208 266 R HN 0.566 nan 8.270 nan 0.000 0.477 267 Y N -0.066 120.207 120.300 -0.045 0.000 2.387 267 Y HA 0.207 4.757 4.550 -0.000 0.000 0.330 267 Y C 0.854 176.730 175.900 -0.039 0.000 1.133 267 Y CA -0.506 57.576 58.100 -0.030 0.000 1.152 267 Y CB 1.552 40.021 38.460 0.015 0.000 1.215 267 Y HN 0.490 nan 8.280 nan 0.000 0.466 268 T N 0.558 115.165 114.554 0.088 0.000 2.752 268 T HA 0.356 4.706 4.350 -0.000 0.000 0.295 268 T C -0.961 173.908 174.700 0.282 0.000 0.923 268 T CA -0.323 61.805 62.100 0.046 0.000 1.112 268 T CB -0.195 68.669 68.868 -0.006 0.000 0.884 268 T HN 0.430 nan 8.240 nan 0.000 0.525 269 F N 3.446 123.477 119.950 0.134 0.000 2.553 269 F HA 0.581 5.108 4.527 -0.000 0.000 0.335 269 F C 0.866 176.741 175.800 0.125 0.000 1.148 269 F CA 0.156 58.197 58.000 0.070 0.000 0.963 269 F CB 0.806 39.783 39.000 -0.037 0.000 1.217 269 F HN 1.059 nan 8.300 nan 0.000 0.441 270 G N 4.297 112.827 108.800 -0.450 0.000 2.646 270 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.324 270 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.324 270 G C 0.482 175.346 174.900 -0.059 0.000 1.195 270 G CA 0.451 45.333 45.100 -0.364 0.000 0.976 270 G HN 1.763 nan 8.290 nan 0.000 0.546 271 A N 0.114 122.898 122.820 -0.060 0.000 2.676 271 A HA 0.738 5.058 4.320 -0.000 0.000 0.297 271 A C 0.451 178.150 177.584 0.192 0.000 1.132 271 A CA 1.389 53.370 52.037 -0.093 0.000 0.972 271 A CB -0.197 18.700 19.000 -0.172 0.000 1.197 271 A HN 2.203 nan 8.150 nan 0.000 0.524 272 S N -1.536 114.420 115.700 0.428 0.000 2.536 272 S HA 0.533 5.003 4.470 -0.000 0.000 0.271 272 S C -0.460 174.348 174.600 0.346 0.000 1.134 272 S CA -0.671 57.767 58.200 0.398 0.000 0.897 272 S CB 0.588 63.938 63.200 0.251 0.000 1.094 272 S HN 0.298 nan 8.310 nan 0.000 0.473 273 c N 2.107 120.834 118.600 0.212 0.000 2.601 273 c HA 0.770 5.340 4.570 -0.000 0.000 0.409 273 c C 0.339 174.514 174.090 0.142 0.000 1.293 273 c CA -0.286 56.078 56.329 0.058 0.000 2.101 273 c CB 0.164 42.659 42.510 -0.025 0.000 2.639 273 c HN 0.755 nan 8.230 nan 0.000 0.592 274 V N 3.267 123.262 119.914 0.135 0.000 2.733 274 V HA 0.267 4.387 4.120 -0.000 0.000 0.306 274 V C 0.836 177.031 176.094 0.168 0.000 1.084 274 V CA -0.096 62.292 62.300 0.147 0.000 0.905 274 V CB 2.453 34.359 31.823 0.138 0.000 1.010 274 V HN 1.078 nan 8.190 nan 0.000 0.424 275 T N 3.097 117.729 114.554 0.129 0.000 2.746 275 T HA 0.086 4.436 4.350 -0.000 0.000 0.267 275 T C 0.459 175.274 174.700 0.191 0.000 1.039 275 T CA 1.520 63.705 62.100 0.142 0.000 1.142 275 T CB 0.050 68.971 68.868 0.089 0.000 0.866 275 T HN 1.014 nan 8.240 nan 0.000 0.444 276 A N -0.434 122.435 122.820 0.082 0.000 2.488 276 A HA 0.556 4.876 4.320 -0.000 0.000 0.298 276 A C -0.297 177.200 177.584 -0.145 0.000 1.044 276 A CA -0.975 51.035 52.037 -0.045 0.000 0.693 276 A CB 0.885 19.863 19.000 -0.035 0.000 1.272 276 A HN 0.360 nan 8.150 nan 0.000 0.402 277 c N 3.123 121.554 118.600 -0.282 0.000 2.611 277 c HA 0.339 4.909 4.570 -0.000 0.000 0.416 277 c C -1.434 172.494 174.090 -0.270 0.000 1.366 277 c CA -0.033 56.118 56.329 -0.296 0.000 1.761 277 c CB -0.740 41.626 42.510 -0.240 0.000 2.619 277 c HN 0.712 nan 8.230 nan 0.000 0.606 278 P HA -0.011 nan 4.420 nan 0.000 0.272 278 P C 0.594 177.902 177.300 0.013 0.000 1.248 278 P CA -0.167 62.751 63.100 -0.303 0.000 0.799 278 P CB 0.208 31.518 31.700 -0.649 0.000 0.997 279 Y N 1.489 121.783 120.300 -0.009 0.000 2.002 279 Y HA -0.323 4.228 4.550 0.000 0.000 0.268 279 Y C 1.819 177.772 175.900 0.088 0.000 1.177 279 Y CA 2.372 60.497 58.100 0.042 0.000 1.111 279 Y CB -1.175 37.313 38.460 0.047 0.000 0.952 279 Y HN 0.301 nan 8.280 nan 0.000 0.491 280 N N -0.891 117.739 118.700 -0.116 0.000 2.461 280 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 280 N C -0.897 174.457 175.510 -0.260 0.000 1.134 280 N CA 0.156 52.985 53.050 -0.368 0.000 0.878 280 N CB -0.269 38.065 38.487 -0.255 0.000 0.972 280 N HN 0.265 nan 8.380 nan 0.000 0.456 281 Y N -0.321 119.896 120.300 -0.139 0.000 2.392 281 Y HA 0.468 5.018 4.550 0.000 0.000 0.323 281 Y C 0.142 175.995 175.900 -0.078 0.000 1.291 281 Y CA -0.702 57.362 58.100 -0.061 0.000 1.345 281 Y CB 0.856 39.306 38.460 -0.016 0.000 1.320 281 Y HN -0.219 nan 8.280 nan 0.000 0.518 282 L N 1.417 122.714 121.223 0.123 0.000 2.349 282 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 282 L C -0.106 176.788 176.870 0.041 0.000 0.996 282 L CA -0.912 53.958 54.840 0.049 0.000 0.825 282 L CB 1.572 43.662 42.059 0.052 0.000 1.243 282 L HN 0.635 nan 8.230 nan 0.000 0.412 283 S N 1.135 116.795 115.700 -0.065 0.000 2.584 283 S HA 0.478 4.948 4.470 -0.000 0.000 0.270 283 S C 0.035 174.658 174.600 0.039 0.000 1.346 283 S CA -0.452 57.655 58.200 -0.156 0.000 1.018 283 S CB 1.400 64.318 63.200 -0.470 0.000 0.899 283 S HN 0.604 nan 8.310 nan 0.000 0.542 284 T N 0.755 115.414 114.554 0.175 0.000 2.916 284 T HA 0.299 4.649 4.350 -0.000 0.000 0.298 284 T C 0.126 174.962 174.700 0.227 0.000 1.031 284 T CA -0.560 61.653 62.100 0.188 0.000 0.993 284 T CB 1.530 70.505 68.868 0.179 0.000 1.045 284 T HN 0.657 nan 8.240 nan 0.000 0.454 285 D N 1.966 122.458 120.400 0.153 0.000 2.315 285 D HA -0.067 4.573 4.640 -0.000 0.000 0.211 285 D C 1.638 177.995 176.300 0.094 0.000 0.977 285 D CA 0.783 54.856 54.000 0.122 0.000 0.894 285 D CB 0.396 41.251 40.800 0.092 0.000 0.910 285 D HN 0.242 nan 8.370 nan 0.000 0.490 286 V N -1.141 118.833 119.914 0.100 0.000 3.621 286 V HA 0.244 4.364 4.120 -0.000 0.000 0.285 286 V C 1.246 177.366 176.094 0.043 0.000 1.346 286 V CA 0.850 63.189 62.300 0.065 0.000 1.104 286 V CB 0.513 32.376 31.823 0.067 0.000 0.913 286 V HN 0.362 nan 8.190 nan 0.000 0.432 287 G N 0.938 109.781 108.800 0.071 0.000 2.141 287 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.195 287 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.195 287 G C 0.173 175.164 174.900 0.152 0.000 1.012 287 G CA 0.467 45.553 45.100 -0.024 0.000 0.696 287 G HN 1.011 nan 8.290 nan 0.000 0.508 288 S N -1.727 114.151 115.700 0.298 0.000 2.709 288 S HA 0.811 5.281 4.470 -0.000 0.000 0.302 288 S C -0.259 174.513 174.600 0.286 0.000 1.127 288 S CA -0.374 57.991 58.200 0.274 0.000 0.905 288 S CB 2.571 65.886 63.200 0.193 0.000 1.151 288 S HN 0.936 nan 8.310 nan 0.000 0.510 289 c N 2.117 120.873 118.600 0.260 0.000 2.340 289 c HA 0.912 5.482 4.570 -0.000 0.000 0.323 289 c C 0.455 174.751 174.090 0.343 0.000 1.260 289 c CA -0.290 56.192 56.329 0.255 0.000 1.464 289 c CB 0.051 42.720 42.510 0.265 0.000 2.156 289 c HN 1.077 nan 8.230 nan 0.000 0.476 290 T N 0.177 114.915 114.554 0.307 0.000 2.716 290 T HA 0.648 4.998 4.350 -0.000 0.000 0.286 290 T C 0.143 174.951 174.700 0.179 0.000 1.052 290 T CA -0.680 61.588 62.100 0.281 0.000 1.024 290 T CB 0.989 69.969 68.868 0.186 0.000 1.349 290 T HN 0.337 nan 8.240 nan 0.000 0.525 291 L N -0.247 121.033 121.223 0.095 0.000 2.731 291 L HA 0.458 4.798 4.340 -0.000 0.000 0.240 291 L C -0.557 176.348 176.870 0.058 0.000 1.120 291 L CA -0.137 54.697 54.840 -0.008 0.000 0.913 291 L CB 1.020 43.032 42.059 -0.078 0.000 1.213 291 L HN 0.377 nan 8.230 nan 0.000 0.515 292 V N -0.765 119.209 119.914 0.100 0.000 2.569 292 V HA 0.232 4.352 4.120 -0.000 0.000 0.301 292 V C -0.105 176.064 176.094 0.125 0.000 1.044 292 V CA -1.053 61.326 62.300 0.131 0.000 0.874 292 V CB 1.741 33.637 31.823 0.121 0.000 1.002 292 V HN 0.064 nan 8.190 nan 0.000 0.424 293 c N 7.604 126.286 118.600 0.137 0.000 2.611 293 c HA 0.218 4.788 4.570 -0.000 0.000 0.416 293 c C -1.067 173.085 174.090 0.104 0.000 1.366 293 c CA -0.363 56.036 56.329 0.117 0.000 1.761 293 c CB -0.359 42.220 42.510 0.115 0.000 2.619 293 c HN 0.710 nan 8.230 nan 0.000 0.606 294 P HA 0.113 nan 4.420 nan 0.000 0.271 294 P C -0.378 176.972 177.300 0.083 0.000 1.244 294 P CA -0.484 62.663 63.100 0.079 0.000 0.793 294 P CB 0.395 32.140 31.700 0.075 0.000 0.984 295 L N 2.054 123.315 121.223 0.064 0.000 2.485 295 L HA 0.014 4.354 4.340 -0.000 0.000 0.275 295 L C 1.254 178.222 176.870 0.163 0.000 1.207 295 L CA 0.651 55.539 54.840 0.080 0.000 0.855 295 L CB -1.306 40.751 42.059 -0.004 0.000 1.114 295 L HN 0.572 nan 8.230 nan 0.000 0.485 296 H N 0.796 119.879 119.070 0.021 0.000 3.211 296 H HA -0.217 4.339 4.556 -0.000 0.000 0.240 296 H C -0.141 175.201 175.328 0.024 0.000 1.148 296 H CA 0.681 56.740 56.048 0.018 0.000 1.160 296 H CB -0.717 29.054 29.762 0.015 0.000 1.232 296 H HN 0.684 nan 8.280 nan 0.000 0.321 297 N N 0.611 119.390 118.700 0.133 0.000 2.471 297 N HA 0.492 5.232 4.740 -0.000 0.000 0.288 297 N C -0.439 175.111 175.510 0.067 0.000 1.220 297 N CA -0.365 52.738 53.050 0.088 0.000 0.893 297 N CB 1.850 40.392 38.487 0.092 0.000 1.256 297 N HN 0.236 nan 8.380 nan 0.000 0.534 298 Q N -0.078 119.758 119.800 0.060 0.000 2.377 298 Q HA 0.249 4.589 4.340 -0.000 0.000 0.279 298 Q C -1.538 174.509 176.000 0.079 0.000 1.049 298 Q CA -0.543 55.292 55.803 0.052 0.000 0.825 298 Q CB 2.444 31.199 28.738 0.028 0.000 1.401 298 Q HN 0.467 nan 8.270 nan 0.000 0.404 299 E N 1.528 121.796 120.200 0.115 0.000 2.257 299 E HA 0.299 4.649 4.350 -0.000 0.000 0.278 299 E C -1.048 175.614 176.600 0.102 0.000 1.049 299 E CA -0.297 56.183 56.400 0.133 0.000 0.876 299 E CB 0.798 30.636 29.700 0.230 0.000 1.035 299 E HN 0.351 nan 8.360 nan 0.000 0.419 300 V N 1.135 121.092 119.914 0.071 0.000 2.709 300 V HA 0.389 4.509 4.120 -0.000 0.000 0.308 300 V C -0.026 176.093 176.094 0.043 0.000 1.062 300 V CA -0.991 61.343 62.300 0.056 0.000 0.901 300 V CB 1.874 33.725 31.823 0.046 0.000 1.003 300 V HN 0.503 nan 8.190 nan 0.000 0.425 301 T N 4.498 119.075 114.554 0.038 0.000 3.182 301 T HA 0.534 4.883 4.350 -0.000 0.000 0.274 301 T C 0.787 175.505 174.700 0.030 0.000 0.997 301 T CA 0.673 62.792 62.100 0.031 0.000 1.082 301 T CB -0.166 68.719 68.868 0.029 0.000 1.005 301 T HN 1.323 nan 8.240 nan 0.000 0.688 302 A N 2.600 125.438 122.820 0.030 0.000 2.364 302 A HA 0.164 4.484 4.320 -0.000 0.000 0.258 302 A C 1.366 178.967 177.584 0.028 0.000 1.131 302 A CA -0.373 51.681 52.037 0.029 0.000 0.800 302 A CB 0.163 19.180 19.000 0.028 0.000 1.086 302 A HN 0.768 nan 8.150 nan 0.000 0.508 303 E N -0.584 119.632 120.200 0.027 0.000 2.515 303 E HA -0.115 4.235 4.350 -0.000 0.000 0.201 303 E C 0.172 176.788 176.600 0.026 0.000 1.071 303 E CA 0.586 57.001 56.400 0.026 0.000 0.880 303 E CB 0.027 29.741 29.700 0.024 0.000 0.828 303 E HN 0.564 nan 8.360 nan 0.000 0.540 304 D N -1.337 119.080 120.400 0.028 0.000 2.648 304 D HA 0.062 4.702 4.640 -0.000 0.000 0.261 304 D C 1.502 177.823 176.300 0.035 0.000 1.261 304 D CA 1.181 55.199 54.000 0.030 0.000 1.011 304 D CB 0.175 40.995 40.800 0.032 0.000 1.092 304 D HN 0.272 nan 8.370 nan 0.000 0.417 305 G N -0.418 108.407 108.800 0.041 0.000 4.258 305 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.208 305 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.208 305 G C 0.083 175.017 174.900 0.055 0.000 0.777 305 G CA 0.009 45.138 45.100 0.048 0.000 0.836 305 G HN 0.219 nan 8.290 nan 0.000 0.499 306 T N 3.080 117.666 114.554 0.053 0.000 2.940 306 T HA 0.386 4.736 4.350 -0.000 0.000 0.309 306 T C 0.144 174.855 174.700 0.019 0.000 1.056 306 T CA 0.143 62.269 62.100 0.044 0.000 1.137 306 T CB 1.361 70.248 68.868 0.033 0.000 0.976 306 T HN 0.146 nan 8.240 nan 0.000 0.547 307 Q N 1.861 121.660 119.800 -0.003 0.000 2.306 307 Q HA 0.490 4.830 4.340 -0.000 0.000 0.241 307 Q C 0.079 176.077 176.000 -0.002 0.000 0.948 307 Q CA -0.099 55.700 55.803 -0.006 0.000 0.886 307 Q CB 1.395 30.113 28.738 -0.033 0.000 1.227 307 Q HN 0.585 nan 8.270 nan 0.000 0.457 308 R N 0.267 120.777 120.500 0.017 0.000 2.634 308 R HA 0.323 4.663 4.340 -0.000 0.000 0.263 308 R C -1.614 174.715 176.300 0.048 0.000 1.060 308 R CA -0.476 55.637 56.100 0.022 0.000 0.898 308 R CB 1.287 31.600 30.300 0.021 0.000 1.253 308 R HN 0.700 nan 8.270 nan 0.000 0.461 309 c N 3.692 122.327 118.600 0.058 0.000 2.168 309 c HA 0.241 4.811 4.570 -0.000 0.000 0.333 309 c C 0.234 174.368 174.090 0.073 0.000 1.106 309 c CA -0.423 55.951 56.329 0.075 0.000 1.574 309 c CB -0.792 41.771 42.510 0.088 0.000 2.055 309 c HN 0.692 nan 8.230 nan 0.000 0.473 310 E N 2.579 122.817 120.200 0.064 0.000 2.250 310 E HA 0.411 4.761 4.350 -0.000 0.000 0.269 310 E C -0.617 176.017 176.600 0.056 0.000 1.018 310 E CA -0.702 55.733 56.400 0.059 0.000 0.873 310 E CB 1.050 30.779 29.700 0.049 0.000 1.134 310 E HN 0.481 nan 8.360 nan 0.000 0.403 311 K N 0.923 121.355 120.400 0.054 0.000 2.380 311 K HA 0.130 4.450 4.320 -0.000 0.000 0.267 311 K C -0.709 175.907 176.600 0.027 0.000 0.990 311 K CA -0.434 55.882 56.287 0.049 0.000 0.946 311 K CB 0.456 32.986 32.500 0.051 0.000 0.937 311 K HN 0.516 nan 8.250 nan 0.000 0.491 312 c N 2.380 120.985 118.600 0.009 0.000 2.273 312 c HA 0.186 4.756 4.570 -0.000 0.000 0.328 312 c C 1.784 175.851 174.090 -0.037 0.000 1.275 312 c CA -0.814 55.501 56.329 -0.024 0.000 1.704 312 c CB 0.537 43.011 42.510 -0.060 0.000 2.326 312 c HN 0.837 nan 8.230 nan 0.000 0.517 313 S N 2.400 118.086 115.700 -0.023 0.000 2.404 313 S HA -0.102 4.368 4.470 -0.000 0.000 0.216 313 S C 1.041 175.611 174.600 -0.049 0.000 1.039 313 S CA 0.968 59.154 58.200 -0.024 0.000 1.062 313 S CB -0.224 62.969 63.200 -0.011 0.000 1.046 313 S HN 0.834 nan 8.310 nan 0.000 0.415 314 K N 2.057 122.430 120.400 -0.046 0.000 2.393 314 K HA 0.083 4.403 4.320 -0.000 0.000 0.264 314 K C -2.718 173.821 176.600 -0.101 0.000 0.979 314 K CA -0.839 55.413 56.287 -0.059 0.000 0.893 314 K CB -0.965 31.510 32.500 -0.041 0.000 0.967 314 K HN 0.117 nan 8.250 nan 0.000 0.521 315 P HA -0.010 nan 4.420 nan 0.000 0.267 315 P C -0.514 176.719 177.300 -0.111 0.000 1.200 315 P CA -0.316 62.696 63.100 -0.147 0.000 0.772 315 P CB 0.371 32.013 31.700 -0.097 0.000 0.855 316 c N 2.411 120.939 118.600 -0.120 0.000 2.657 316 c HA 0.366 4.936 4.570 -0.000 0.000 0.420 316 c C 1.306 175.356 174.090 -0.066 0.000 1.323 316 c CA -0.403 55.880 56.329 -0.076 0.000 1.894 316 c CB -0.757 41.719 42.510 -0.057 0.000 2.681 316 c HN 0.613 nan 8.230 nan 0.000 0.613 317 A N 4.703 127.487 122.820 -0.060 0.000 2.445 317 A HA 0.416 4.736 4.320 -0.000 0.000 0.242 317 A C 0.780 178.312 177.584 -0.086 0.000 1.075 317 A CA -0.261 51.741 52.037 -0.058 0.000 0.777 317 A CB 0.294 19.270 19.000 -0.041 0.000 1.013 317 A HN 0.941 nan 8.150 nan 0.000 0.493 318 R N 1.082 121.535 120.500 -0.078 0.000 2.694 318 R HA 0.496 4.836 4.340 -0.000 0.000 0.268 318 R C -1.060 175.143 176.300 -0.161 0.000 1.061 318 R CA -0.157 55.881 56.100 -0.104 0.000 1.133 318 R CB 0.280 30.538 30.300 -0.069 0.000 1.020 318 R HN 0.344 nan 8.270 nan 0.000 0.475 319 V N 1.318 121.066 119.914 -0.276 0.000 2.925 319 V HA 0.182 4.302 4.120 -0.000 0.000 0.311 319 V C -0.626 175.215 176.094 -0.421 0.000 1.104 319 V CA -0.891 61.145 62.300 -0.441 0.000 0.954 319 V CB 2.400 33.657 31.823 -0.944 0.000 1.022 319 V HN 0.966 nan 8.190 nan 0.000 0.427 320 c N 5.005 123.511 118.600 -0.157 0.000 2.349 320 c HA 0.469 5.039 4.570 -0.000 0.000 0.348 320 c C -0.241 173.869 174.090 0.033 0.000 1.223 320 c CA -0.778 55.554 56.329 0.004 0.000 1.746 320 c CB -1.338 41.283 42.510 0.186 0.000 2.360 320 c HN 0.649 nan 8.230 nan 0.000 0.533 321 Y N 1.748 122.188 120.300 0.234 0.000 2.299 321 Y HA 0.525 5.075 4.550 -0.000 0.000 0.326 321 Y C 1.039 177.111 175.900 0.286 0.000 1.164 321 Y CA 0.642 58.892 58.100 0.249 0.000 1.234 321 Y CB 0.766 39.346 38.460 0.201 0.000 1.219 321 Y HN 0.808 nan 8.280 nan 0.000 0.497 322 G N 1.869 110.932 108.800 0.440 0.000 2.702 322 G HA2 0.528 4.488 3.960 -0.000 0.000 0.254 322 G HA3 0.528 4.488 3.960 -0.000 0.000 0.254 322 G C -0.872 174.142 174.900 0.189 0.000 1.380 322 G CA -1.064 44.251 45.100 0.359 0.000 1.042 322 G HN 0.544 nan 8.290 nan 0.000 0.557 323 L N 0.339 121.610 121.223 0.080 0.000 2.439 323 L HA 0.393 4.733 4.340 -0.000 0.000 0.269 323 L C 1.580 178.439 176.870 -0.017 0.000 1.179 323 L CA 0.977 55.820 54.840 0.004 0.000 0.828 323 L CB 0.806 42.835 42.059 -0.050 0.000 1.106 323 L HN 1.013 nan 8.230 nan 0.000 0.467 324 G N 2.365 111.160 108.800 -0.008 0.000 2.148 324 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 324 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 324 G C -0.409 174.498 174.900 0.011 0.000 0.981 324 G CA 0.144 45.248 45.100 0.007 0.000 0.670 324 G HN 0.436 nan 8.290 nan 0.000 0.528 325 M N 0.001 119.605 119.600 0.006 0.000 2.327 325 M HA 0.617 5.097 4.480 -0.000 0.000 0.298 325 M C 0.557 176.781 176.300 -0.127 0.000 1.065 325 M CA -0.727 54.568 55.300 -0.008 0.000 0.916 325 M CB 1.541 34.237 32.600 0.160 0.000 1.630 325 M HN 0.174 nan 8.290 nan 0.000 0.442 326 E N 1.442 121.495 120.200 -0.245 0.000 3.439 326 E HA -0.323 4.027 4.350 -0.000 0.000 0.385 326 E C 0.724 177.282 176.600 -0.070 0.000 1.557 326 E CA 2.100 58.350 56.400 -0.249 0.000 1.684 326 E CB -1.053 28.327 29.700 -0.532 0.000 1.677 326 E HN 0.995 nan 8.360 nan 0.000 0.455 327 H N 1.676 120.674 119.070 -0.119 0.000 2.567 327 H HA 0.046 4.602 4.556 -0.000 0.000 0.276 327 H C 1.592 176.908 175.328 -0.020 0.000 1.016 327 H CA 1.129 57.145 56.048 -0.053 0.000 1.186 327 H CB -0.412 29.328 29.762 -0.037 0.000 1.351 327 H HN 0.223 nan 8.280 nan 0.000 0.605 328 L N 0.466 121.443 121.223 -0.411 0.000 3.066 328 L HA 0.297 4.637 4.340 -0.000 0.000 0.265 328 L C 2.302 179.104 176.870 -0.113 0.000 1.232 328 L CA -0.245 54.424 54.840 -0.285 0.000 1.031 328 L CB 0.267 42.147 42.059 -0.298 0.000 1.379 328 L HN 0.047 nan 8.230 nan 0.000 0.563 329 R N 0.904 121.355 120.500 -0.082 0.000 2.105 329 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 329 R C 1.475 177.763 176.300 -0.021 0.000 1.135 329 R CA 1.403 57.479 56.100 -0.040 0.000 0.967 329 R CB 0.301 30.580 30.300 -0.035 0.000 0.861 329 R HN 0.280 nan 8.270 nan 0.000 0.442 330 E N -0.091 120.094 120.200 -0.025 0.000 2.498 330 E HA 0.076 4.426 4.350 -0.000 0.000 0.203 330 E C -0.610 175.984 176.600 -0.010 0.000 1.013 330 E CA 0.002 56.395 56.400 -0.011 0.000 0.927 330 E CB 1.076 30.770 29.700 -0.009 0.000 1.012 330 E HN 0.054 nan 8.360 nan 0.000 0.482 331 V N 3.491 123.393 119.914 -0.021 0.000 2.488 331 V HA 0.043 4.163 4.120 -0.000 0.000 0.277 331 V C 1.737 177.827 176.094 -0.005 0.000 1.046 331 V CA 0.061 62.350 62.300 -0.017 0.000 0.986 331 V CB 1.093 32.897 31.823 -0.031 0.000 0.989 331 V HN 0.221 nan 8.190 nan 0.000 0.475 332 R N 4.158 124.658 120.500 0.000 0.000 2.093 332 R HA 0.357 4.697 4.340 -0.000 0.000 0.224 332 R C 0.597 176.896 176.300 -0.001 0.000 1.101 332 R CA 1.071 57.176 56.100 0.008 0.000 0.979 332 R CB 0.125 30.434 30.300 0.015 0.000 0.877 332 R HN 0.654 nan 8.270 nan 0.000 0.441 333 A N 0.683 123.490 122.820 -0.020 0.000 2.609 333 A HA 0.493 4.813 4.320 -0.000 0.000 0.291 333 A C -0.902 176.626 177.584 -0.093 0.000 1.096 333 A CA -0.776 51.223 52.037 -0.063 0.000 0.684 333 A CB 1.799 20.778 19.000 -0.035 0.000 1.282 333 A HN -0.026 nan 8.150 nan 0.000 0.412 334 V N 2.163 121.945 119.914 -0.221 0.000 2.529 334 V HA 0.445 4.565 4.120 -0.000 0.000 0.292 334 V C 0.880 176.911 176.094 -0.105 0.000 1.028 334 V CA 1.146 63.351 62.300 -0.158 0.000 1.074 334 V CB 0.371 31.939 31.823 -0.425 0.000 0.958 334 V HN 1.204 nan 8.190 nan 0.000 0.481 335 T N 0.315 114.861 114.554 -0.012 0.000 2.864 335 T HA 0.329 4.679 4.350 -0.000 0.000 0.289 335 T C 1.098 175.805 174.700 0.012 0.000 1.082 335 T CA 0.009 62.087 62.100 -0.036 0.000 1.009 335 T CB 1.543 70.393 68.868 -0.030 0.000 1.234 335 T HN 0.636 nan 8.240 nan 0.000 0.526 336 S N -0.052 115.645 115.700 -0.005 0.000 2.465 336 S HA -0.053 4.417 4.470 -0.000 0.000 0.241 336 S C 2.052 176.662 174.600 0.017 0.000 1.000 336 S CA 0.722 58.930 58.200 0.013 0.000 0.964 336 S CB -1.000 62.203 63.200 0.005 0.000 0.763 336 S HN 1.088 nan 8.310 nan 0.000 0.512 337 A N 2.334 125.163 122.820 0.014 0.000 2.123 337 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 337 A C 1.736 179.328 177.584 0.014 0.000 1.152 337 A CA 0.941 52.985 52.037 0.011 0.000 0.728 337 A CB -0.340 18.664 19.000 0.007 0.000 0.814 337 A HN 0.791 nan 8.150 nan 0.000 0.464 338 N N -1.804 116.917 118.700 0.036 0.000 2.082 338 N HA 0.069 4.809 4.740 -0.000 0.000 0.228 338 N C 0.790 176.339 175.510 0.066 0.000 1.341 338 N CA 0.317 53.381 53.050 0.024 0.000 0.873 338 N CB -0.665 37.844 38.487 0.038 0.000 1.137 338 N HN 0.224 nan 8.380 nan 0.000 0.505 339 I N 0.604 121.265 120.570 0.152 0.000 2.226 339 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 339 I C 1.870 178.061 176.117 0.123 0.000 1.100 339 I CA 1.525 62.983 61.300 0.264 0.000 1.374 339 I CB 0.062 38.169 38.000 0.178 0.000 1.057 339 I HN 0.028 nan 8.210 nan 0.000 0.413 340 Q N 0.705 120.509 119.800 0.007 0.000 2.297 340 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 340 Q C 2.000 177.937 176.000 -0.105 0.000 0.981 340 Q CA 1.334 57.111 55.803 -0.043 0.000 0.876 340 Q CB -0.334 28.381 28.738 -0.038 0.000 0.921 340 Q HN 0.631 nan 8.270 nan 0.000 0.446 341 E N -0.990 119.077 120.200 -0.222 0.000 2.267 341 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 341 E C 0.794 177.113 176.600 -0.469 0.000 0.998 341 E CA 0.688 56.850 56.400 -0.397 0.000 0.830 341 E CB -0.033 29.308 29.700 -0.599 0.000 0.751 341 E HN 0.388 nan 8.360 nan 0.000 0.491 342 F N -0.066 119.875 119.950 -0.014 0.000 2.727 342 F HA 0.272 4.799 4.527 -0.000 0.000 0.302 342 F C 0.933 176.684 175.800 -0.082 0.000 1.097 342 F CA -0.444 57.546 58.000 -0.016 0.000 1.330 342 F CB 0.194 39.191 39.000 -0.004 0.000 1.084 342 F HN -0.191 nan 8.300 nan 0.000 0.578 343 A N 0.968 123.792 122.820 0.007 0.000 2.563 343 A HA 0.336 4.656 4.320 -0.000 0.000 0.256 343 A C 1.602 179.191 177.584 0.009 0.000 1.056 343 A CA 1.019 53.043 52.037 -0.022 0.000 0.775 343 A CB -1.042 17.935 19.000 -0.038 0.000 0.973 343 A HN 0.990 nan 8.150 nan 0.000 0.516 344 G N 1.237 110.047 108.800 0.017 0.000 2.199 344 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.254 344 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.254 344 G C 0.445 175.383 174.900 0.062 0.000 0.982 344 G CA 0.115 45.233 45.100 0.030 0.000 0.632 344 G HN 1.205 nan 8.290 nan 0.000 0.529 345 c N 1.146 119.807 118.600 0.102 0.000 2.648 345 c HA 0.421 4.991 4.570 -0.000 0.000 0.415 345 c C 1.883 176.059 174.090 0.144 0.000 1.366 345 c CA 0.645 57.060 56.329 0.144 0.000 1.756 345 c CB 0.684 43.335 42.510 0.236 0.000 2.549 345 c HN 0.567 nan 8.230 nan 0.000 0.597 346 K N 1.035 121.506 120.400 0.117 0.000 2.242 346 K HA 0.048 4.368 4.320 -0.000 0.000 0.200 346 K C 0.712 177.370 176.600 0.097 0.000 1.050 346 K CA 0.815 57.162 56.287 0.100 0.000 0.981 346 K CB 0.230 32.773 32.500 0.071 0.000 0.795 346 K HN 0.605 nan 8.250 nan 0.000 0.477 347 K N 1.192 121.656 120.400 0.108 0.000 2.507 347 K HA 0.319 4.639 4.320 -0.000 0.000 0.251 347 K C -1.469 175.194 176.600 0.104 0.000 0.943 347 K CA -0.385 55.929 56.287 0.046 0.000 0.794 347 K CB 1.262 33.744 32.500 -0.029 0.000 1.188 347 K HN -0.099 nan 8.250 nan 0.000 0.428 348 I N 4.824 125.428 120.570 0.058 0.000 2.321 348 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 348 I C -0.710 175.428 176.117 0.036 0.000 0.998 348 I CA -0.884 60.515 61.300 0.165 0.000 1.227 348 I CB 0.733 38.856 38.000 0.205 0.000 1.368 348 I HN 0.512 nan 8.210 nan 0.000 0.466 349 F N 5.722 125.696 119.950 0.041 0.000 2.464 349 F HA 0.572 5.099 4.527 -0.000 0.000 0.353 349 F C 1.032 176.932 175.800 0.166 0.000 1.191 349 F CA -0.066 57.979 58.000 0.075 0.000 1.147 349 F CB 0.228 39.245 39.000 0.028 0.000 1.294 349 F HN 0.645 nan 8.300 nan 0.000 0.583 350 G N 1.236 110.142 108.800 0.177 0.000 2.278 350 G HA2 0.286 4.246 3.960 -0.000 0.000 0.265 350 G HA3 0.286 4.246 3.960 -0.000 0.000 0.265 350 G C -1.311 173.552 174.900 -0.062 0.000 1.329 350 G CA -0.746 44.414 45.100 0.099 0.000 1.017 350 G HN 0.541 nan 8.290 nan 0.000 0.472 351 S N -1.048 114.545 115.700 -0.179 0.000 2.671 351 S HA 0.864 5.334 4.470 -0.000 0.000 0.299 351 S C -0.787 173.626 174.600 -0.311 0.000 1.116 351 S CA -0.813 57.146 58.200 -0.402 0.000 0.912 351 S CB 1.956 64.521 63.200 -1.060 0.000 1.130 351 S HN 0.824 nan 8.310 nan 0.000 0.501 352 L N 1.069 122.093 121.223 -0.331 0.000 2.362 352 L HA 0.830 5.170 4.340 -0.000 0.000 0.275 352 L C -0.483 176.261 176.870 -0.209 0.000 0.998 352 L CA -0.766 53.873 54.840 -0.334 0.000 0.820 352 L CB 1.787 43.605 42.059 -0.402 0.000 1.270 352 L HN 0.827 nan 8.230 nan 0.000 0.415 353 A N 2.995 125.671 122.820 -0.240 0.000 2.330 353 A HA 0.822 5.142 4.320 -0.000 0.000 0.313 353 A C -1.272 176.204 177.584 -0.180 0.000 1.124 353 A CA -0.300 51.751 52.037 0.022 0.000 0.774 353 A CB 0.566 19.638 19.000 0.120 0.000 1.198 353 A HN 0.495 nan 8.150 nan 0.000 0.465 354 F N 3.030 123.135 119.950 0.259 0.000 2.361 354 F HA 0.551 5.078 4.527 -0.000 0.000 0.364 354 F C -0.146 175.834 175.800 0.300 0.000 1.117 354 F CA -0.532 57.631 58.000 0.272 0.000 1.071 354 F CB 1.301 40.597 39.000 0.493 0.000 1.188 354 F HN 0.298 nan 8.300 nan 0.000 0.464 355 L N 5.282 126.699 121.223 0.324 0.000 2.298 355 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 355 L C -1.453 175.588 176.870 0.285 0.000 1.010 355 L CA -2.537 52.479 54.840 0.294 0.000 0.812 355 L CB 0.901 43.079 42.059 0.198 0.000 1.331 355 L HN 0.148 nan 8.230 nan 0.000 0.450 356 P HA -0.195 nan 4.420 nan 0.000 0.216 356 P C 1.119 178.522 177.300 0.171 0.000 1.150 356 P CA 1.123 64.360 63.100 0.229 0.000 0.843 356 P CB 0.172 31.965 31.700 0.155 0.000 0.787 357 E N -0.474 119.791 120.200 0.109 0.000 2.338 357 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 357 E C 1.477 178.076 176.600 -0.002 0.000 1.007 357 E CA 1.043 57.477 56.400 0.057 0.000 0.849 357 E CB -0.630 29.096 29.700 0.043 0.000 0.774 357 E HN 0.105 nan 8.360 nan 0.000 0.506 358 S N -0.069 115.594 115.700 -0.062 0.000 2.368 358 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 358 S C 1.272 175.629 174.600 -0.405 0.000 1.030 358 S CA 1.442 59.451 58.200 -0.319 0.000 0.999 358 S CB -0.205 62.635 63.200 -0.599 0.000 0.844 358 S HN 0.405 nan 8.310 nan 0.000 0.459 359 F N 1.169 121.166 119.950 0.078 0.000 2.602 359 F HA 0.204 4.731 4.527 -0.000 0.000 0.284 359 F C 0.521 176.336 175.800 0.023 0.000 1.111 359 F CA -0.438 57.584 58.000 0.036 0.000 1.405 359 F CB 0.214 39.222 39.000 0.013 0.000 1.121 359 F HN 0.060 nan 8.300 nan 0.000 0.603 360 D N 1.247 121.764 120.400 0.194 0.000 2.256 360 D HA 0.284 4.924 4.640 -0.000 0.000 0.250 360 D C 0.557 176.898 176.300 0.068 0.000 1.093 360 D CA -0.083 53.982 54.000 0.108 0.000 0.882 360 D CB 1.708 42.560 40.800 0.088 0.000 1.185 360 D HN 0.116 nan 8.370 nan 0.000 0.437 361 G N 0.550 109.378 108.800 0.047 0.000 2.611 361 G HA2 0.192 4.152 3.960 -0.000 0.000 0.273 361 G HA3 0.192 4.152 3.960 -0.000 0.000 0.273 361 G C -0.574 174.339 174.900 0.023 0.000 1.305 361 G CA -0.439 44.677 45.100 0.025 0.000 1.010 361 G HN 0.615 nan 8.290 nan 0.000 0.509 362 D N -0.367 120.041 120.400 0.014 0.000 2.392 362 D HA 0.375 5.015 4.640 -0.000 0.000 0.228 362 D C -1.108 175.200 176.300 0.013 0.000 1.074 362 D CA -1.730 52.279 54.000 0.015 0.000 0.838 362 D CB 2.056 42.863 40.800 0.012 0.000 1.067 362 D HN 0.014 nan 8.370 nan 0.000 0.511 363 P HA -0.218 nan 4.420 nan 0.000 0.202 363 P C 1.247 178.553 177.300 0.011 0.000 1.171 363 P CA 1.804 64.912 63.100 0.013 0.000 0.925 363 P CB -0.302 31.406 31.700 0.014 0.000 0.760 364 A N -0.422 122.405 122.820 0.011 0.000 1.779 364 A HA -0.309 4.011 4.320 -0.000 0.000 0.327 364 A C 1.670 179.259 177.584 0.008 0.000 4.078 364 A CA 3.044 55.086 52.037 0.009 0.000 1.006 364 A CB -2.153 16.853 19.000 0.010 0.000 0.657 364 A HN 0.399 nan 8.150 nan 0.000 0.491 365 S N 1.059 116.763 115.700 0.007 0.000 2.567 365 S HA 0.395 4.865 4.470 -0.000 0.000 0.262 365 S C -0.002 174.601 174.600 0.006 0.000 1.237 365 S CA 0.091 58.294 58.200 0.006 0.000 1.093 365 S CB -0.347 62.857 63.200 0.005 0.000 1.095 365 S HN 0.825 nan 8.310 nan 0.000 0.489 366 N N 2.238 120.941 118.700 0.006 0.000 2.673 366 N HA -0.178 4.562 4.740 -0.000 0.000 0.291 366 N C -0.572 174.941 175.510 0.005 0.000 1.200 366 N CA 0.563 53.616 53.050 0.006 0.000 0.921 366 N CB -1.154 37.336 38.487 0.005 0.000 1.137 366 N HN 0.337 nan 8.380 nan 0.000 0.575 367 T N -1.559 112.998 114.554 0.005 0.000 2.892 367 T HA 0.704 5.054 4.350 -0.000 0.000 0.311 367 T C 0.320 175.023 174.700 0.005 0.000 1.033 367 T CA -0.637 61.465 62.100 0.004 0.000 0.991 367 T CB 1.149 70.017 68.868 0.001 0.000 0.981 367 T HN 0.651 nan 8.240 nan 0.000 0.457 368 A N 5.281 128.105 122.820 0.006 0.000 2.498 368 A HA 0.525 4.845 4.320 -0.000 0.000 0.239 368 A C -1.959 175.631 177.584 0.010 0.000 1.068 368 A CA -1.276 50.767 52.037 0.010 0.000 0.766 368 A CB -0.458 18.548 19.000 0.010 0.000 1.003 368 A HN 0.624 nan 8.150 nan 0.000 0.497 369 P HA -0.006 nan 4.420 nan 0.000 0.262 369 P C -0.329 176.992 177.300 0.035 0.000 1.182 369 P CA -0.121 63.000 63.100 0.034 0.000 0.761 369 P CB 0.233 31.968 31.700 0.058 0.000 0.795 370 L N 4.658 125.886 121.223 0.009 0.000 2.597 370 L HA -0.016 4.324 4.340 -0.000 0.000 0.271 370 L C 0.683 177.635 176.870 0.137 0.000 1.157 370 L CA 0.804 55.657 54.840 0.022 0.000 0.928 370 L CB -0.570 41.404 42.059 -0.143 0.000 1.216 370 L HN 0.309 nan 8.230 nan 0.000 0.481 371 Q N 6.847 126.697 119.800 0.083 0.000 2.299 371 Q HA 0.223 4.563 4.340 -0.000 0.000 0.246 371 Q C -1.595 174.433 176.000 0.047 0.000 0.935 371 Q CA -1.734 54.106 55.803 0.061 0.000 0.887 371 Q CB 0.588 29.340 28.738 0.023 0.000 1.223 371 Q HN 0.440 nan 8.270 nan 0.000 0.439 372 P HA -0.174 nan 4.420 nan 0.000 0.217 372 P C 0.944 178.194 177.300 -0.084 0.000 1.150 372 P CA 1.238 64.271 63.100 -0.111 0.000 0.832 372 P CB 0.216 31.806 31.700 -0.184 0.000 0.787 373 E N 0.474 120.644 120.200 -0.051 0.000 2.265 373 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 373 E C 1.682 178.266 176.600 -0.028 0.000 0.996 373 E CA 1.083 57.459 56.400 -0.040 0.000 0.832 373 E CB -0.922 28.760 29.700 -0.029 0.000 0.756 373 E HN 0.390 nan 8.360 nan 0.000 0.491 374 Q N 0.333 120.127 119.800 -0.009 0.000 2.369 374 Q HA 0.050 4.390 4.340 -0.000 0.000 0.206 374 Q C 2.190 178.193 176.000 0.006 0.000 0.963 374 Q CA 0.491 56.295 55.803 0.001 0.000 0.894 374 Q CB -0.025 28.730 28.738 0.027 0.000 0.965 374 Q HN 0.356 nan 8.270 nan 0.000 0.475 375 L N 0.084 121.320 121.223 0.021 0.000 2.465 375 L HA -0.148 4.192 4.340 -0.000 0.000 0.224 375 L C 1.883 178.774 176.870 0.035 0.000 1.145 375 L CA 0.605 55.498 54.840 0.088 0.000 0.834 375 L CB -0.187 41.845 42.059 -0.045 0.000 0.944 375 L HN 0.238 nan 8.230 nan 0.000 0.451 376 Q N -0.199 119.584 119.800 -0.029 0.000 2.443 376 Q HA -0.162 4.178 4.340 -0.000 0.000 0.213 376 Q C 2.282 178.236 176.000 -0.076 0.000 0.982 376 Q CA 1.425 57.203 55.803 -0.041 0.000 0.894 376 Q CB -0.123 28.593 28.738 -0.036 0.000 0.947 376 Q HN 0.637 nan 8.270 nan 0.000 0.480 377 V N -2.780 117.033 119.914 -0.169 0.000 2.490 377 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 377 V C 1.556 177.497 176.094 -0.254 0.000 1.061 377 V CA 1.517 63.663 62.300 -0.257 0.000 1.064 377 V CB -0.923 30.663 31.823 -0.395 0.000 0.670 377 V HN 0.232 nan 8.190 nan 0.000 0.461 378 F N 0.754 120.695 119.950 -0.016 0.000 2.802 378 F HA 0.158 4.685 4.527 -0.000 0.000 0.300 378 F C 2.287 178.060 175.800 -0.044 0.000 1.168 378 F CA 0.816 58.792 58.000 -0.040 0.000 1.433 378 F CB -0.494 38.345 39.000 -0.268 0.000 1.115 378 F HN 0.196 nan 8.300 nan 0.000 0.582 379 E N -0.179 120.060 120.200 0.066 0.000 2.418 379 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 379 E C 2.252 178.890 176.600 0.063 0.000 1.026 379 E CA 1.319 57.747 56.400 0.047 0.000 0.862 379 E CB 0.015 29.723 29.700 0.012 0.000 0.799 379 E HN 0.377 nan 8.360 nan 0.000 0.518 380 T N -1.054 113.547 114.554 0.078 0.000 3.037 380 T HA 0.017 4.367 4.350 -0.000 0.000 0.252 380 T C 0.715 175.480 174.700 0.108 0.000 1.073 380 T CA -0.411 61.734 62.100 0.074 0.000 1.091 380 T CB 0.030 68.932 68.868 0.057 0.000 0.935 380 T HN -0.037 nan 8.240 nan 0.000 0.488 381 L N 2.374 123.701 121.223 0.173 0.000 2.559 381 L HA 0.238 4.578 4.340 -0.000 0.000 0.274 381 L C 0.894 177.852 176.870 0.148 0.000 1.205 381 L CA 0.774 55.740 54.840 0.210 0.000 0.907 381 L CB 0.347 42.628 42.059 0.370 0.000 1.153 381 L HN 0.256 nan 8.230 nan 0.000 0.490 382 E N 2.550 122.808 120.200 0.096 0.000 2.364 382 E HA 0.142 4.492 4.350 -0.000 0.000 0.203 382 E C -0.263 176.347 176.600 0.017 0.000 0.888 382 E CA 0.100 56.528 56.400 0.048 0.000 0.989 382 E CB 0.682 30.402 29.700 0.034 0.000 0.985 382 E HN 0.710 nan 8.360 nan 0.000 0.499 383 E N 0.861 121.066 120.200 0.008 0.000 2.308 383 E HA 0.401 4.751 4.350 -0.000 0.000 0.275 383 E C -1.510 175.052 176.600 -0.063 0.000 0.890 383 E CA -0.411 55.962 56.400 -0.045 0.000 0.754 383 E CB 1.580 31.230 29.700 -0.083 0.000 1.207 383 E HN -0.051 nan 8.360 nan 0.000 0.426 384 I N 3.509 124.027 120.570 -0.086 0.000 2.465 384 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 384 I C 1.239 177.282 176.117 -0.123 0.000 1.014 384 I CA -0.434 60.804 61.300 -0.102 0.000 1.093 384 I CB 2.102 40.038 38.000 -0.108 0.000 1.267 384 I HN 0.753 nan 8.210 nan 0.000 0.431 385 T N 0.852 115.312 114.554 -0.157 0.000 3.009 385 T HA 0.117 4.467 4.350 -0.000 0.000 0.258 385 T C 1.172 175.829 174.700 -0.071 0.000 1.063 385 T CA 0.569 62.581 62.100 -0.147 0.000 1.139 385 T CB 0.078 68.822 68.868 -0.207 0.000 0.890 385 T HN 0.653 nan 8.240 nan 0.000 0.471 386 G N 1.261 110.021 108.800 -0.067 0.000 3.224 386 G HA2 0.490 4.450 3.960 -0.000 0.000 0.161 386 G HA3 0.490 4.450 3.960 -0.000 0.000 0.161 386 G C -0.352 174.560 174.900 0.020 0.000 1.872 386 G CA -0.215 44.856 45.100 -0.048 0.000 1.012 386 G HN 0.690 nan 8.290 nan 0.000 0.504 387 Y N -2.204 118.111 120.300 0.025 0.000 2.576 387 Y HA 0.756 5.306 4.550 -0.000 0.000 0.346 387 Y C -1.184 174.720 175.900 0.006 0.000 1.018 387 Y CA -2.075 56.048 58.100 0.039 0.000 1.050 387 Y CB 1.541 40.066 38.460 0.109 0.000 1.280 387 Y HN 0.415 nan 8.280 nan 0.000 0.474 388 L N 3.432 124.799 121.223 0.240 0.000 2.296 388 L HA 0.514 4.854 4.340 -0.000 0.000 0.286 388 L C -1.815 175.217 176.870 0.270 0.000 1.023 388 L CA -0.912 53.992 54.840 0.107 0.000 0.812 388 L CB 0.857 42.821 42.059 -0.159 0.000 1.223 388 L HN 0.752 nan 8.230 nan 0.000 0.421 389 Y N 5.976 126.369 120.300 0.156 0.000 2.332 389 Y HA 0.643 5.193 4.550 -0.000 0.000 0.326 389 Y C -1.071 174.907 175.900 0.131 0.000 0.978 389 Y CA -0.790 57.351 58.100 0.068 0.000 1.205 389 Y CB 1.150 39.614 38.460 0.008 0.000 1.131 389 Y HN 0.537 nan 8.280 nan 0.000 0.462 390 I N 5.968 126.371 120.570 -0.279 0.000 2.437 390 I HA 0.213 4.383 4.170 -0.000 0.000 0.279 390 I C 0.346 176.298 176.117 -0.274 0.000 1.028 390 I CA -0.324 60.926 61.300 -0.082 0.000 1.142 390 I CB 1.619 39.566 38.000 -0.089 0.000 1.266 390 I HN 0.723 nan 8.210 nan 0.000 0.461 391 S N 3.429 119.048 115.700 -0.135 0.000 2.539 391 S HA 0.607 5.077 4.470 -0.000 0.000 0.221 391 S C 0.447 175.103 174.600 0.093 0.000 0.987 391 S CA -0.250 57.892 58.200 -0.096 0.000 0.929 391 S CB 0.620 63.822 63.200 0.004 0.000 0.832 391 S HN 0.628 nan 8.310 nan 0.000 0.492 392 A N 0.609 123.578 122.820 0.250 0.000 2.594 392 A HA 0.679 4.999 4.320 -0.000 0.000 0.295 392 A C -1.984 175.851 177.584 0.418 0.000 1.071 392 A CA -0.622 51.599 52.037 0.305 0.000 0.685 392 A CB 1.146 20.385 19.000 0.398 0.000 1.285 392 A HN 0.502 nan 8.150 nan 0.000 0.405 393 W N 1.945 123.091 121.300 -0.257 0.000 3.818 393 W HA 0.404 5.064 4.660 0.000 0.000 0.283 393 W C -3.233 172.889 176.519 -0.661 0.000 1.265 393 W CA -1.484 55.516 57.345 -0.576 0.000 1.226 393 W CB 1.603 30.879 29.460 -0.307 0.000 1.281 393 W HN 0.559 nan 8.180 nan 0.000 0.539 394 P HA -0.005 nan 4.420 nan 0.000 0.262 394 P C 0.474 177.561 177.300 -0.355 0.000 1.182 394 P CA 0.731 63.380 63.100 -0.751 0.000 0.761 394 P CB 0.801 32.033 31.700 -0.779 0.000 0.795 395 D N 1.140 121.410 120.400 -0.216 0.000 2.149 395 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 395 D C 1.751 177.980 176.300 -0.118 0.000 0.990 395 D CA 1.709 55.638 54.000 -0.119 0.000 0.839 395 D CB -0.347 40.404 40.800 -0.083 0.000 0.948 395 D HN 0.383 nan 8.370 nan 0.000 0.460 396 S N -0.592 115.026 115.700 -0.136 0.000 2.500 396 S HA -0.088 4.382 4.470 -0.000 0.000 0.239 396 S C 0.884 175.417 174.600 -0.111 0.000 0.989 396 S CA 0.289 58.421 58.200 -0.113 0.000 0.951 396 S CB -0.346 62.790 63.200 -0.106 0.000 0.759 396 S HN 0.156 nan 8.310 nan 0.000 0.523 397 L N 2.153 123.304 121.223 -0.120 0.000 2.287 397 L HA 0.421 4.761 4.340 -0.000 0.000 0.287 397 L C -1.926 174.912 176.870 -0.052 0.000 1.022 397 L CA -2.063 52.740 54.840 -0.061 0.000 0.814 397 L CB 1.752 43.795 42.059 -0.026 0.000 1.217 397 L HN -0.060 nan 8.230 nan 0.000 0.420 398 P HA 0.074 nan 4.420 nan 0.000 0.255 398 P C -0.916 175.994 177.300 -0.651 0.000 1.248 398 P CA 0.439 63.280 63.100 -0.431 0.000 0.807 398 P CB 0.109 31.453 31.700 -0.593 0.000 1.150 399 D N -1.564 118.614 120.400 -0.369 0.000 2.665 399 D HA 0.090 4.730 4.640 -0.000 0.000 0.287 399 D C -0.209 175.996 176.300 -0.158 0.000 1.266 399 D CA -0.799 52.978 54.000 -0.371 0.000 0.830 399 D CB 0.124 40.676 40.800 -0.412 0.000 1.356 399 D HN -0.212 nan 8.370 nan 0.000 0.437 400 L N 0.961 122.063 121.223 -0.202 0.000 2.851 400 L HA 0.183 4.523 4.340 -0.000 0.000 0.237 400 L C 1.434 178.310 176.870 0.009 0.000 1.257 400 L CA 0.016 54.727 54.840 -0.214 0.000 1.061 400 L CB -0.330 41.547 42.059 -0.305 0.000 1.372 400 L HN 0.504 nan 8.230 nan 0.000 0.493 401 S N -1.102 114.626 115.700 0.046 0.000 2.607 401 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 401 S C 1.686 176.303 174.600 0.028 0.000 0.969 401 S CA 0.496 58.727 58.200 0.053 0.000 0.927 401 S CB -0.300 62.950 63.200 0.084 0.000 0.772 401 S HN 0.406 nan 8.310 nan 0.000 0.533 402 V N -2.223 117.693 119.914 0.003 0.000 3.041 402 V HA 0.276 4.396 4.120 -0.000 0.000 0.260 402 V C 1.477 177.445 176.094 -0.210 0.000 1.105 402 V CA 0.825 63.065 62.300 -0.100 0.000 1.125 402 V CB -1.291 30.462 31.823 -0.116 0.000 0.730 402 V HN 0.493 nan 8.190 nan 0.000 0.479 403 F N 0.040 120.016 119.950 0.043 0.000 2.765 403 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 403 F C 2.267 178.028 175.800 -0.064 0.000 1.111 403 F CA 0.488 58.480 58.000 -0.015 0.000 1.359 403 F CB -0.172 38.767 39.000 -0.101 0.000 1.097 403 F HN 0.116 nan 8.300 nan 0.000 0.577 404 Q N 0.751 120.587 119.800 0.062 0.000 2.303 404 Q HA -0.369 3.970 4.340 -0.000 0.000 0.221 404 Q C 0.995 176.981 176.000 -0.024 0.000 1.081 404 Q CA 2.373 58.175 55.803 -0.002 0.000 0.985 404 Q CB -0.260 28.482 28.738 0.007 0.000 1.093 404 Q HN 0.391 nan 8.270 nan 0.000 0.464 405 N N -0.594 118.120 118.700 0.023 0.000 2.184 405 N HA 0.082 4.822 4.740 -0.000 0.000 0.206 405 N C -0.460 175.058 175.510 0.013 0.000 1.151 405 N CA -0.097 52.960 53.050 0.011 0.000 0.878 405 N CB 0.263 38.769 38.487 0.030 0.000 1.014 405 N HN 0.123 nan 8.380 nan 0.000 0.512 406 L N 2.132 123.375 121.223 0.033 0.000 2.615 406 L HA -0.040 4.300 4.340 -0.000 0.000 0.271 406 L C 1.207 178.033 176.870 -0.073 0.000 1.183 406 L CA 0.800 55.641 54.840 0.003 0.000 0.933 406 L CB 0.439 42.495 42.059 -0.006 0.000 1.199 406 L HN 0.111 nan 8.230 nan 0.000 0.487 407 Q N 4.038 123.808 119.800 -0.049 0.000 2.394 407 Q HA 0.223 4.563 4.340 -0.000 0.000 0.218 407 Q C -0.354 175.622 176.000 -0.041 0.000 0.907 407 Q CA 0.549 56.320 55.803 -0.054 0.000 0.919 407 Q CB 0.659 29.382 28.738 -0.025 0.000 1.051 407 Q HN 0.618 nan 8.270 nan 0.000 0.538 408 V N -1.507 118.387 119.914 -0.032 0.000 2.888 408 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 408 V C -0.930 175.148 176.094 -0.027 0.000 1.114 408 V CA -1.058 61.234 62.300 -0.013 0.000 0.940 408 V CB 2.084 33.905 31.823 -0.003 0.000 1.021 408 V HN 0.046 nan 8.190 nan 0.000 0.426 409 I N 3.274 123.844 120.570 0.001 0.000 2.382 409 I HA 0.528 4.698 4.170 -0.000 0.000 0.285 409 I C 1.194 177.329 176.117 0.030 0.000 1.007 409 I CA -0.428 60.872 61.300 -0.000 0.000 1.142 409 I CB 1.847 39.858 38.000 0.018 0.000 1.289 409 I HN 0.677 nan 8.210 nan 0.000 0.453 410 R N 3.663 124.157 120.500 -0.010 0.000 2.090 410 R HA 0.028 4.368 4.340 -0.000 0.000 0.228 410 R C 1.486 177.790 176.300 0.008 0.000 1.110 410 R CA 1.148 57.236 56.100 -0.021 0.000 0.973 410 R CB -0.035 30.212 30.300 -0.088 0.000 0.869 410 R HN 0.995 nan 8.270 nan 0.000 0.440 411 G N 0.439 109.260 108.800 0.035 0.000 2.147 411 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 411 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 411 G C 0.626 175.542 174.900 0.026 0.000 1.005 411 G CA 0.485 45.629 45.100 0.073 0.000 0.713 411 G HN 0.300 nan 8.290 nan 0.000 0.515 412 R N -0.812 119.673 120.500 -0.025 0.000 2.189 412 R HA 0.095 4.435 4.340 -0.000 0.000 0.223 412 R C 1.073 177.368 176.300 -0.008 0.000 1.092 412 R CA 1.001 57.053 56.100 -0.079 0.000 0.989 412 R CB 0.090 30.323 30.300 -0.111 0.000 0.876 412 R HN 0.549 nan 8.270 nan 0.000 0.457 413 I N 1.324 121.935 120.570 0.069 0.000 2.474 413 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 413 I C -0.489 175.806 176.117 0.296 0.000 1.005 413 I CA -0.652 60.744 61.300 0.159 0.000 1.113 413 I CB 1.967 40.065 38.000 0.163 0.000 1.289 413 I HN -0.167 nan 8.210 nan 0.000 0.436 414 L N 4.570 125.926 121.223 0.222 0.000 2.342 414 L HA 0.454 4.794 4.340 -0.000 0.000 0.271 414 L C 0.012 176.849 176.870 -0.054 0.000 1.008 414 L CA -0.858 54.063 54.840 0.135 0.000 0.818 414 L CB 1.653 43.728 42.059 0.027 0.000 1.296 414 L HN 0.566 nan 8.230 nan 0.000 0.427 415 H N 4.408 123.147 119.070 -0.552 0.000 2.848 415 H HA 0.034 4.590 4.556 -0.000 0.000 0.317 415 H C 0.177 175.415 175.328 -0.149 0.000 1.046 415 H CA 0.459 56.109 56.048 -0.663 0.000 1.470 415 H CB 0.727 29.952 29.762 -0.895 0.000 1.483 415 H HN 0.684 nan 8.280 nan 0.000 0.548 416 N N 3.386 121.708 118.700 -0.630 0.000 2.678 416 N HA -0.214 4.526 4.740 -0.000 0.000 0.250 416 N C 1.026 176.464 175.510 -0.121 0.000 1.136 416 N CA 1.310 54.175 53.050 -0.308 0.000 0.757 416 N CB -1.249 37.119 38.487 -0.198 0.000 1.135 416 N HN 1.003 nan 8.380 nan 0.000 0.565 417 G N -1.884 106.850 108.800 -0.110 0.000 2.148 417 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 417 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 417 G C 0.752 175.576 174.900 -0.126 0.000 0.981 417 G CA 1.344 46.402 45.100 -0.069 0.000 0.670 417 G HN 1.034 nan 8.290 nan 0.000 0.528 418 A N -1.469 121.230 122.820 -0.202 0.000 1.917 418 A HA 0.672 4.992 4.320 -0.000 0.000 0.200 418 A C 0.402 177.704 177.584 -0.471 0.000 1.671 418 A CA 0.608 52.376 52.037 -0.449 0.000 1.034 418 A CB 0.489 19.027 19.000 -0.770 0.000 1.057 418 A HN 0.641 nan 8.150 nan 0.000 0.507 419 Y N 1.104 121.398 120.300 -0.010 0.000 2.331 419 Y HA 0.419 4.969 4.550 -0.000 0.000 0.338 419 Y C 1.465 177.386 175.900 0.035 0.000 0.992 419 Y CA -0.131 57.982 58.100 0.022 0.000 1.121 419 Y CB 1.691 40.196 38.460 0.074 0.000 1.184 419 Y HN 0.227 nan 8.280 nan 0.000 0.469 420 S N 1.788 117.609 115.700 0.202 0.000 2.470 420 S HA 0.163 4.633 4.470 -0.000 0.000 0.222 420 S C -0.063 174.672 174.600 0.224 0.000 1.024 420 S CA 0.041 58.371 58.200 0.216 0.000 0.931 420 S CB 0.335 63.643 63.200 0.180 0.000 0.791 420 S HN 0.447 nan 8.310 nan 0.000 0.513 421 L N 2.092 123.435 121.223 0.200 0.000 2.406 421 L HA 0.659 4.999 4.340 -0.000 0.000 0.272 421 L C -1.607 175.307 176.870 0.075 0.000 0.980 421 L CA 0.076 54.996 54.840 0.134 0.000 0.831 421 L CB 1.959 44.105 42.059 0.145 0.000 1.253 421 L HN 0.059 nan 8.230 nan 0.000 0.406 422 T N 6.385 120.933 114.554 -0.011 0.000 2.881 422 T HA 0.630 4.980 4.350 -0.000 0.000 0.291 422 T C -0.698 173.839 174.700 -0.272 0.000 0.990 422 T CA -0.288 61.725 62.100 -0.146 0.000 0.976 422 T CB 1.067 69.822 68.868 -0.189 0.000 0.970 422 T HN 0.456 nan 8.240 nan 0.000 0.438 423 L N 4.405 125.486 121.223 -0.236 0.000 2.415 423 L HA 0.526 4.866 4.340 -0.000 0.000 0.268 423 L C -0.357 176.329 176.870 -0.306 0.000 0.984 423 L CA -0.824 53.859 54.840 -0.261 0.000 0.853 423 L CB 1.413 43.370 42.059 -0.171 0.000 1.215 423 L HN 0.678 nan 8.230 nan 0.000 0.419 424 Q N 1.427 120.996 119.800 -0.384 0.000 2.347 424 Q HA 0.694 5.034 4.340 -0.000 0.000 0.271 424 Q C 0.324 176.153 176.000 -0.285 0.000 1.064 424 Q CA -0.562 54.950 55.803 -0.484 0.000 0.800 424 Q CB 2.343 30.599 28.738 -0.803 0.000 1.304 424 Q HN 0.643 nan 8.270 nan 0.000 0.438 425 G N 1.924 110.600 108.800 -0.207 0.000 2.225 425 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 425 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 425 G C 0.026 174.897 174.900 -0.050 0.000 1.060 425 G CA 0.599 45.643 45.100 -0.094 0.000 0.833 425 G HN 0.591 nan 8.290 nan 0.000 0.498 426 L N -0.838 120.352 121.223 -0.056 0.000 2.262 426 L HA 0.415 4.755 4.340 -0.000 0.000 0.197 426 L C 2.502 179.386 176.870 0.022 0.000 1.073 426 L CA 0.818 55.644 54.840 -0.023 0.000 0.800 426 L CB -0.441 41.573 42.059 -0.076 0.000 0.987 426 L HN 1.099 nan 8.230 nan 0.000 0.470 427 G N 1.709 110.531 108.800 0.038 0.000 2.155 427 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 427 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 427 G C 0.437 175.392 174.900 0.091 0.000 0.983 427 G CA 0.446 45.656 45.100 0.184 0.000 0.676 427 G HN 0.444 nan 8.290 nan 0.000 0.528 428 I N -1.447 119.109 120.570 -0.024 0.000 3.045 428 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 428 I C 1.293 177.339 176.117 -0.118 0.000 1.238 428 I CA 0.507 61.718 61.300 -0.148 0.000 1.396 428 I CB 0.514 38.376 38.000 -0.231 0.000 1.355 428 I HN -0.044 nan 8.210 nan 0.000 0.601 429 S N 1.847 117.366 115.700 -0.301 0.000 2.502 429 S HA 0.221 4.691 4.470 -0.000 0.000 0.215 429 S C -0.385 174.338 174.600 0.205 0.000 1.009 429 S CA -0.203 57.949 58.200 -0.079 0.000 0.908 429 S CB -0.207 62.911 63.200 -0.136 0.000 0.801 429 S HN 0.849 nan 8.310 nan 0.000 0.505 430 W N -1.265 120.086 121.300 0.085 0.000 2.959 430 W HA 0.630 5.290 4.660 0.000 0.000 0.358 430 W C -0.292 176.256 176.519 0.047 0.000 1.228 430 W CA -0.937 56.461 57.345 0.090 0.000 1.183 430 W CB 0.116 29.515 29.460 -0.102 0.000 1.467 430 W HN -0.272 nan 8.180 nan 0.000 0.578 431 L N 1.506 122.955 121.223 0.377 0.000 2.102 431 L HA 0.187 4.527 4.340 -0.000 0.000 0.202 431 L C 2.050 179.062 176.870 0.237 0.000 1.076 431 L CA 1.383 56.380 54.840 0.262 0.000 0.761 431 L CB -0.936 41.378 42.059 0.426 0.000 0.921 431 L HN 1.189 nan 8.230 nan 0.000 0.444 432 G N 0.693 109.726 108.800 0.387 0.000 2.196 432 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 432 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 432 G C 0.495 175.397 174.900 0.004 0.000 0.975 432 G CA 0.253 45.499 45.100 0.244 0.000 0.648 432 G HN 0.312 nan 8.290 nan 0.000 0.538 433 L N 0.948 122.088 121.223 -0.139 0.000 2.436 433 L HA 0.220 4.560 4.340 -0.000 0.000 0.244 433 L C 2.067 178.277 176.870 -1.101 0.000 1.396 433 L CA 0.369 54.895 54.840 -0.524 0.000 1.217 433 L CB -0.222 41.479 42.059 -0.596 0.000 1.420 433 L HN 0.460 nan 8.230 nan 0.000 0.434 434 R N -2.178 117.952 120.500 -0.617 0.000 2.339 434 R HA 0.023 4.363 4.340 -0.000 0.000 0.199 434 R C 1.094 177.118 176.300 -0.459 0.000 1.018 434 R CA 0.606 56.367 56.100 -0.565 0.000 1.036 434 R CB -0.117 30.080 30.300 -0.171 0.000 0.899 434 R HN 0.247 nan 8.270 nan 0.000 0.473 435 S N 0.012 115.436 115.700 -0.460 0.000 2.559 435 S HA 0.165 4.635 4.470 -0.000 0.000 0.226 435 S C -0.066 174.373 174.600 -0.269 0.000 1.030 435 S CA -0.616 57.428 58.200 -0.259 0.000 0.956 435 S CB 0.310 63.424 63.200 -0.144 0.000 0.900 435 S HN 0.212 nan 8.310 nan 0.000 0.510 436 L N 5.140 126.080 121.223 -0.473 0.000 2.678 436 L HA 0.132 4.472 4.340 -0.000 0.000 0.276 436 L C 1.378 178.176 176.870 -0.120 0.000 1.142 436 L CA 0.376 55.016 54.840 -0.333 0.000 0.961 436 L CB 0.079 41.840 42.059 -0.497 0.000 1.291 436 L HN 0.185 nan 8.230 nan 0.000 0.476 437 R N 3.160 123.636 120.500 -0.040 0.000 2.254 437 R HA 0.210 4.550 4.340 -0.000 0.000 0.193 437 R C -0.011 176.311 176.300 0.036 0.000 0.929 437 R CA 0.069 56.180 56.100 0.018 0.000 1.038 437 R CB 0.376 30.683 30.300 0.011 0.000 1.009 437 R HN 0.633 nan 8.270 nan 0.000 0.512 438 E N 1.300 121.528 120.200 0.047 0.000 2.287 438 E HA 0.254 4.604 4.350 -0.000 0.000 0.274 438 E C -1.547 175.126 176.600 0.121 0.000 0.896 438 E CA -0.579 55.874 56.400 0.088 0.000 0.788 438 E CB 1.827 31.588 29.700 0.101 0.000 1.244 438 E HN 0.163 nan 8.360 nan 0.000 0.408 439 L N 4.851 126.187 121.223 0.188 0.000 2.270 439 L HA 0.359 4.699 4.340 -0.000 0.000 0.286 439 L C 1.454 178.486 176.870 0.270 0.000 1.059 439 L CA -0.304 54.685 54.840 0.249 0.000 0.839 439 L CB 1.164 43.455 42.059 0.386 0.000 1.221 439 L HN 0.913 nan 8.230 nan 0.000 0.431 440 G N 2.301 111.218 108.800 0.195 0.000 2.450 440 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 440 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 440 G C 0.528 175.558 174.900 0.216 0.000 1.130 440 G CA 0.935 46.159 45.100 0.206 0.000 0.760 440 G HN 0.623 nan 8.290 nan 0.000 0.557 441 S N -3.109 112.687 115.700 0.160 0.000 2.615 441 S HA 0.630 5.100 4.470 -0.000 0.000 0.268 441 S C -0.175 174.470 174.600 0.076 0.000 1.146 441 S CA 0.166 58.438 58.200 0.120 0.000 0.818 441 S CB 1.406 64.660 63.200 0.091 0.000 1.111 441 S HN 1.924 nan 8.310 nan 0.000 0.465 442 G N -0.109 108.691 108.800 0.000 0.000 2.814 442 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.677 442 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.677 442 G C -0.905 173.947 174.900 -0.080 0.000 1.429 442 G CA -0.471 44.594 45.100 -0.059 0.000 0.868 442 G HN 1.039 nan 8.290 nan 0.000 0.553 443 L N 0.278 121.428 121.223 -0.122 0.000 2.399 443 L HA 0.675 5.015 4.340 -0.000 0.000 0.265 443 L C 1.115 178.064 176.870 0.133 0.000 1.089 443 L CA -0.399 54.386 54.840 -0.091 0.000 0.802 443 L CB 1.435 43.406 42.059 -0.147 0.000 1.180 443 L HN 1.157 nan 8.230 nan 0.000 0.454 444 A N 2.465 125.364 122.820 0.132 0.000 2.276 444 A HA 0.612 4.932 4.320 -0.000 0.000 0.316 444 A C -0.928 176.676 177.584 0.034 0.000 1.229 444 A CA -0.372 51.725 52.037 0.101 0.000 0.851 444 A CB 1.017 20.018 19.000 0.002 0.000 1.165 444 A HN 0.479 nan 8.150 nan 0.000 0.513 445 L N 3.870 125.111 121.223 0.029 0.000 2.342 445 L HA 0.692 5.032 4.340 -0.000 0.000 0.276 445 L C -1.247 175.599 176.870 -0.040 0.000 0.997 445 L CA -0.150 54.666 54.840 -0.040 0.000 0.838 445 L CB 0.770 42.673 42.059 -0.260 0.000 1.224 445 L HN 0.556 nan 8.230 nan 0.000 0.416 446 I N 6.786 127.345 120.570 -0.018 0.000 2.464 446 I HA 0.372 4.542 4.170 -0.000 0.000 0.277 446 I C -0.762 175.395 176.117 0.067 0.000 1.040 446 I CA -0.424 60.862 61.300 -0.024 0.000 1.153 446 I CB 0.415 38.375 38.000 -0.066 0.000 1.274 446 I HN 0.667 nan 8.210 nan 0.000 0.469 447 H N 4.629 123.672 119.070 -0.046 0.000 2.821 447 H HA 0.442 4.998 4.556 -0.000 0.000 0.373 447 H C -0.040 175.315 175.328 0.044 0.000 1.165 447 H CA -0.721 55.313 56.048 -0.023 0.000 1.154 447 H CB 1.339 31.114 29.762 0.021 0.000 1.765 447 H HN 0.547 nan 8.280 nan 0.000 0.549 448 H N 0.437 119.495 119.070 -0.019 0.000 2.862 448 H HA -0.147 4.409 4.556 0.000 0.000 0.290 448 H C -0.711 174.542 175.328 -0.126 0.000 1.211 448 H CA 0.810 56.815 56.048 -0.071 0.000 1.140 448 H CB -1.319 28.413 29.762 -0.051 0.000 1.341 448 H HN 0.646 nan 8.280 nan 0.000 0.392 449 N N 1.013 119.681 118.700 -0.053 0.000 2.500 449 N HA 0.056 4.796 4.740 -0.000 0.000 0.236 449 N C 1.007 176.472 175.510 -0.075 0.000 1.022 449 N CA -0.067 52.947 53.050 -0.059 0.000 0.935 449 N CB 1.432 39.884 38.487 -0.058 0.000 1.147 449 N HN 0.125 nan 8.380 nan 0.000 0.512 450 T N 0.706 115.170 114.554 -0.149 0.000 2.867 450 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 450 T C 0.849 175.345 174.700 -0.339 0.000 1.057 450 T CA 1.422 63.351 62.100 -0.284 0.000 1.136 450 T CB -0.063 68.555 68.868 -0.417 0.000 0.874 450 T HN 0.585 nan 8.240 nan 0.000 0.466 451 H N -0.854 118.225 119.070 0.015 0.000 2.586 451 H HA 0.358 4.914 4.556 -0.000 0.000 0.273 451 H C 0.058 175.421 175.328 0.059 0.000 0.997 451 H CA -0.611 55.455 56.048 0.031 0.000 1.177 451 H CB 0.196 29.965 29.762 0.012 0.000 1.471 451 H HN 0.117 nan 8.280 nan 0.000 0.538 452 L N 1.706 122.996 121.223 0.112 0.000 2.562 452 L HA 0.021 4.361 4.340 -0.000 0.000 0.271 452 L C -0.216 176.760 176.870 0.176 0.000 1.167 452 L CA 0.242 55.161 54.840 0.132 0.000 0.917 452 L CB -0.578 41.526 42.059 0.075 0.000 1.187 452 L HN 0.313 nan 8.230 nan 0.000 0.482 453 c N 3.435 122.213 118.600 0.297 0.000 2.857 453 c HA 0.503 5.073 4.570 -0.000 0.000 0.397 453 c C 0.234 174.591 174.090 0.446 0.000 1.558 453 c CA -0.752 55.753 56.329 0.292 0.000 1.694 453 c CB 0.800 43.480 42.510 0.282 0.000 2.120 453 c HN 0.817 nan 8.230 nan 0.000 0.475 454 F N -0.241 119.786 119.950 0.129 0.000 3.074 454 F HA -0.181 4.346 4.527 -0.000 0.000 0.287 454 F C 0.885 176.721 175.800 0.059 0.000 0.932 454 F CA 0.519 58.567 58.000 0.080 0.000 0.995 454 F CB -1.711 37.357 39.000 0.113 0.000 0.966 454 F HN 0.323 nan 8.300 nan 0.000 0.721 455 V N -1.346 118.676 119.914 0.181 0.000 2.690 455 V HA -0.127 3.993 4.120 -0.000 0.000 0.240 455 V C 2.249 178.454 176.094 0.186 0.000 1.078 455 V CA 1.668 64.095 62.300 0.212 0.000 1.102 455 V CB -0.391 31.520 31.823 0.147 0.000 0.800 455 V HN 0.637 nan 8.190 nan 0.000 0.479 456 H N 1.187 120.256 119.070 -0.003 0.000 2.518 456 H HA -0.125 4.431 4.556 -0.000 0.000 0.289 456 H C 2.141 177.430 175.328 -0.064 0.000 1.051 456 H CA 1.856 57.889 56.048 -0.025 0.000 1.280 456 H CB 0.279 30.010 29.762 -0.051 0.000 1.380 456 H HN 0.607 nan 8.280 nan 0.000 0.566 457 T N -1.452 113.023 114.554 -0.132 0.000 3.023 457 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 457 T C 1.011 175.489 174.700 -0.371 0.000 1.093 457 T CA 0.036 62.022 62.100 -0.191 0.000 1.129 457 T CB -0.347 68.463 68.868 -0.096 0.000 0.899 457 T HN -0.059 nan 8.240 nan 0.000 0.491 458 V N 4.760 124.297 119.914 -0.628 0.000 2.508 458 V HA 0.240 4.360 4.120 -0.000 0.000 0.281 458 V C -1.878 173.562 176.094 -1.090 0.000 1.041 458 V CA -1.687 59.867 62.300 -1.244 0.000 1.016 458 V CB 0.839 31.410 31.823 -2.086 0.000 0.984 458 V HN 0.300 nan 8.190 nan 0.000 0.478 459 P HA 0.112 nan 4.420 nan 0.000 0.220 459 P C 0.483 177.426 177.300 -0.595 0.000 1.806 459 P CA -0.278 62.364 63.100 -0.762 0.000 0.976 459 P CB -0.138 31.014 31.700 -0.914 0.000 1.952 460 W N 1.250 122.294 121.300 -0.428 0.000 2.290 460 W HA -0.254 4.406 4.660 -0.000 0.000 0.311 460 W C 2.190 178.304 176.519 -0.676 0.000 1.238 460 W CA 1.628 58.647 57.345 -0.543 0.000 1.255 460 W CB -1.211 28.023 29.460 -0.378 0.000 1.145 460 W HN 0.267 nan 8.180 nan 0.000 0.506 461 D N 0.537 120.879 120.400 -0.096 0.000 2.263 461 D HA -0.308 4.332 4.640 -0.000 0.000 0.193 461 D C 1.571 177.818 176.300 -0.087 0.000 1.013 461 D CA 2.321 56.310 54.000 -0.018 0.000 0.892 461 D CB -0.332 40.453 40.800 -0.024 0.000 0.909 461 D HN 0.405 nan 8.370 nan 0.000 0.449 462 Q N -1.152 118.530 119.800 -0.197 0.000 2.402 462 Q HA 0.045 4.385 4.340 -0.000 0.000 0.206 462 Q C 1.993 177.915 176.000 -0.130 0.000 0.919 462 Q CA -0.065 55.650 55.803 -0.146 0.000 0.923 462 Q CB 0.395 29.026 28.738 -0.177 0.000 1.048 462 Q HN 0.238 nan 8.270 nan 0.000 0.515 463 L N -0.603 120.472 121.223 -0.247 0.000 2.270 463 L HA 0.065 4.405 4.340 -0.000 0.000 0.210 463 L C 0.598 177.463 176.870 -0.009 0.000 1.104 463 L CA 1.068 55.814 54.840 -0.157 0.000 0.804 463 L CB -0.144 41.795 42.059 -0.200 0.000 0.937 463 L HN 0.054 nan 8.230 nan 0.000 0.450 464 F N -0.753 119.262 119.950 0.109 0.000 2.435 464 F HA 0.183 4.710 4.527 -0.000 0.000 0.316 464 F C 1.472 177.309 175.800 0.061 0.000 1.220 464 F CA -0.565 57.493 58.000 0.097 0.000 1.241 464 F CB 0.460 39.511 39.000 0.086 0.000 1.234 464 F HN -0.197 nan 8.300 nan 0.000 0.569 465 R N 0.490 121.163 120.500 0.288 0.000 2.539 465 R HA 0.156 4.496 4.340 -0.000 0.000 0.342 465 R C -1.356 174.984 176.300 0.066 0.000 0.941 465 R CA -0.238 55.930 56.100 0.114 0.000 1.146 465 R CB -0.208 30.175 30.300 0.139 0.000 1.541 465 R HN 0.830 nan 8.270 nan 0.000 0.525 466 N N -1.512 117.245 118.700 0.096 0.000 2.598 466 N HA 0.262 5.002 4.740 -0.000 0.000 0.263 466 N C -2.466 173.040 175.510 -0.006 0.000 1.254 466 N CA -1.121 51.959 53.050 0.049 0.000 0.863 466 N CB 2.065 40.613 38.487 0.101 0.000 1.586 466 N HN -0.357 nan 8.380 nan 0.000 0.491 467 P HA -0.142 nan 4.420 nan 0.000 0.225 467 P C 0.099 177.275 177.300 -0.207 0.000 1.148 467 P CA 1.234 64.244 63.100 -0.150 0.000 0.779 467 P CB -0.014 31.546 31.700 -0.234 0.000 0.780 468 H N -0.812 118.225 119.070 -0.055 0.000 2.547 468 H HA 0.196 4.752 4.556 0.000 0.000 0.266 468 H C 0.899 176.116 175.328 -0.186 0.000 0.988 468 H CA 0.363 56.358 56.048 -0.088 0.000 1.147 468 H CB 0.148 29.849 29.762 -0.103 0.000 1.365 468 H HN 0.382 nan 8.280 nan 0.000 0.589 469 Q N 0.069 119.733 119.800 -0.227 0.000 2.227 469 Q HA 0.623 4.963 4.340 -0.000 0.000 0.245 469 Q C -0.540 174.942 176.000 -0.864 0.000 0.926 469 Q CA -0.528 54.877 55.803 -0.663 0.000 0.895 469 Q CB 2.091 30.238 28.738 -0.985 0.000 1.230 469 Q HN 0.290 nan 8.270 nan 0.000 0.450 470 A N 1.424 123.619 122.820 -1.042 0.000 2.586 470 A HA 0.390 4.710 4.320 -0.000 0.000 0.291 470 A C -1.986 175.479 177.584 -0.197 0.000 1.062 470 A CA -0.719 50.979 52.037 -0.564 0.000 0.666 470 A CB 1.104 19.599 19.000 -0.841 0.000 1.281 470 A HN 0.609 nan 8.150 nan 0.000 0.421 471 L N 2.191 123.432 121.223 0.030 0.000 2.255 471 L HA 0.564 4.904 4.340 -0.000 0.000 0.289 471 L C -1.362 175.458 176.870 -0.083 0.000 1.046 471 L CA -0.439 54.310 54.840 -0.152 0.000 0.816 471 L CB 0.148 41.846 42.059 -0.601 0.000 1.197 471 L HN 0.680 nan 8.230 nan 0.000 0.427 472 L N 5.782 126.958 121.223 -0.078 0.000 2.289 472 L HA 0.456 4.796 4.340 -0.000 0.000 0.285 472 L C -0.741 176.131 176.870 0.003 0.000 1.049 472 L CA -0.562 54.244 54.840 -0.058 0.000 0.804 472 L CB 1.283 43.323 42.059 -0.031 0.000 1.195 472 L HN 0.688 nan 8.230 nan 0.000 0.428 473 H N -0.275 118.743 119.070 -0.086 0.000 3.086 473 H HA 0.726 5.282 4.556 -0.000 0.000 0.353 473 H C -1.125 174.173 175.328 -0.050 0.000 1.134 473 H CA -0.749 55.258 56.048 -0.069 0.000 1.248 473 H CB 1.904 31.605 29.762 -0.101 0.000 1.878 473 H HN 0.426 nan 8.280 nan 0.000 0.527 474 T N 1.449 115.999 114.554 -0.007 0.000 2.802 474 T HA 0.523 4.873 4.350 -0.000 0.000 0.311 474 T C -0.259 174.361 174.700 -0.133 0.000 1.405 474 T CA 0.297 62.345 62.100 -0.085 0.000 1.016 474 T CB 0.802 69.591 68.868 -0.130 0.000 1.352 474 T HN 1.868 nan 8.240 nan 0.000 0.498 475 A N 1.907 124.605 122.820 -0.202 0.000 2.826 475 A HA -0.150 4.170 4.320 -0.000 0.000 0.274 475 A C 0.375 177.833 177.584 -0.210 0.000 1.443 475 A CA 1.278 53.113 52.037 -0.335 0.000 0.833 475 A CB -2.487 15.919 19.000 -0.989 0.000 1.023 475 A HN 0.737 nan 8.150 nan 0.000 0.600 476 N N -0.864 117.785 118.700 -0.085 0.000 2.495 476 N HA 0.453 5.193 4.740 -0.000 0.000 0.294 476 N C 0.390 175.882 175.510 -0.031 0.000 1.276 476 N CA -0.617 52.408 53.050 -0.041 0.000 0.973 476 N CB 0.239 38.733 38.487 0.011 0.000 1.143 476 N HN 0.542 nan 8.380 nan 0.000 0.589 477 R N 0.914 121.410 120.500 -0.007 0.000 2.401 477 R HA 0.224 4.564 4.340 -0.000 0.000 0.299 477 R C -2.254 174.050 176.300 0.007 0.000 1.064 477 R CA -0.921 55.181 56.100 0.003 0.000 1.000 477 R CB 0.004 30.328 30.300 0.041 0.000 0.973 477 R HN 0.319 nan 8.270 nan 0.000 0.438 478 P HA -0.050 nan 4.420 nan 0.000 0.264 478 P C -0.040 177.245 177.300 -0.025 0.000 1.193 478 P CA -0.029 63.063 63.100 -0.014 0.000 0.763 478 P CB 0.855 32.545 31.700 -0.017 0.000 0.810 479 E N 2.759 122.930 120.200 -0.049 0.000 2.085 479 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 479 E C 1.326 177.883 176.600 -0.071 0.000 0.994 479 E CA 1.551 57.906 56.400 -0.075 0.000 0.801 479 E CB -0.245 29.371 29.700 -0.141 0.000 0.743 479 E HN 0.611 nan 8.360 nan 0.000 0.453 480 D N -0.086 120.275 120.400 -0.065 0.000 2.178 480 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 480 D C 1.727 178.008 176.300 -0.033 0.000 0.980 480 D CA 0.955 54.924 54.000 -0.051 0.000 0.842 480 D CB -0.436 40.337 40.800 -0.044 0.000 0.948 480 D HN 0.256 nan 8.370 nan 0.000 0.472 481 E N -0.174 120.013 120.200 -0.021 0.000 2.110 481 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 481 E C 2.118 178.719 176.600 0.002 0.000 0.988 481 E CA 1.152 57.550 56.400 -0.004 0.000 0.804 481 E CB 0.070 29.774 29.700 0.007 0.000 0.745 481 E HN 0.349 nan 8.360 nan 0.000 0.458 482 c N -0.339 118.255 118.600 -0.010 0.000 2.462 482 c HA -0.108 4.462 4.570 -0.000 0.000 0.278 482 c C 2.783 176.848 174.090 -0.041 0.000 1.253 482 c CA 0.765 57.085 56.329 -0.014 0.000 1.713 482 c CB -1.128 41.351 42.510 -0.052 0.000 2.049 482 c HN 0.512 nan 8.230 nan 0.000 0.477 483 V N 2.160 122.034 119.914 -0.067 0.000 2.332 483 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 483 V C 2.203 178.275 176.094 -0.036 0.000 1.055 483 V CA 2.688 64.947 62.300 -0.068 0.000 1.038 483 V CB -1.479 30.301 31.823 -0.072 0.000 0.651 483 V HN 0.471 nan 8.190 nan 0.000 0.450 484 G N -0.867 107.918 108.800 -0.025 0.000 2.498 484 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 484 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 484 G C 1.413 176.313 174.900 0.001 0.000 1.119 484 G CA 0.719 45.812 45.100 -0.012 0.000 0.766 484 G HN 0.653 nan 8.290 nan 0.000 0.552 485 E N 0.238 120.443 120.200 0.009 0.000 2.419 485 E HA 0.312 4.662 4.350 -0.000 0.000 0.190 485 E C 1.083 177.699 176.600 0.026 0.000 1.040 485 E CA 0.026 56.442 56.400 0.026 0.000 0.900 485 E CB -0.361 29.369 29.700 0.049 0.000 1.054 485 E HN 0.279 nan 8.360 nan 0.000 0.462 486 G N 1.845 110.649 108.800 0.007 0.000 2.370 486 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.295 486 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.295 486 G C -0.362 174.546 174.900 0.013 0.000 1.045 486 G CA 0.265 45.367 45.100 0.004 0.000 1.199 486 G HN 0.263 nan 8.290 nan 0.000 0.513 487 L N 0.053 121.269 121.223 -0.012 0.000 2.410 487 L HA 0.858 5.198 4.340 -0.000 0.000 0.270 487 L C 0.233 177.031 176.870 -0.120 0.000 0.983 487 L CA -0.361 54.474 54.840 -0.009 0.000 0.822 487 L CB 2.129 44.192 42.059 0.007 0.000 1.285 487 L HN 0.831 nan 8.230 nan 0.000 0.409 488 A N 2.005 124.804 122.820 -0.035 0.000 2.608 488 A HA 0.508 4.828 4.320 -0.000 0.000 0.292 488 A C -1.037 176.617 177.584 0.116 0.000 1.066 488 A CA -0.527 51.469 52.037 -0.068 0.000 0.676 488 A CB 1.043 20.013 19.000 -0.051 0.000 1.277 488 A HN 0.634 nan 8.150 nan 0.000 0.413 489 c N 2.144 120.791 118.600 0.080 0.000 2.634 489 c HA 0.195 4.765 4.570 -0.000 0.000 0.417 489 c C 1.160 175.302 174.090 0.087 0.000 1.334 489 c CA 0.177 56.587 56.329 0.135 0.000 1.829 489 c CB -1.064 41.471 42.510 0.041 0.000 2.665 489 c HN 0.830 nan 8.230 nan 0.000 0.614 490 H N 2.671 121.742 119.070 0.002 0.000 2.972 490 H HA -0.042 4.514 4.556 0.000 0.000 0.343 490 H C 1.198 176.501 175.328 -0.040 0.000 1.054 490 H CA 0.606 56.637 56.048 -0.028 0.000 1.412 490 H CB 0.701 30.438 29.762 -0.042 0.000 1.385 490 H HN 0.704 nan 8.280 nan 0.000 0.600 491 Q N 3.528 123.029 119.800 -0.499 0.000 2.290 491 Q HA -0.175 4.165 4.340 -0.000 0.000 0.211 491 Q C 1.697 177.583 176.000 -0.190 0.000 0.991 491 Q CA 1.142 56.749 55.803 -0.328 0.000 0.893 491 Q CB 0.094 28.613 28.738 -0.366 0.000 0.913 491 Q HN 0.575 nan 8.270 nan 0.000 0.428 492 L N -0.595 120.574 121.223 -0.091 0.000 2.591 492 L HA 0.016 4.356 4.340 -0.000 0.000 0.228 492 L C 0.198 177.077 176.870 0.016 0.000 1.133 492 L CA 0.228 55.086 54.840 0.031 0.000 0.880 492 L CB 0.172 42.340 42.059 0.182 0.000 1.033 492 L HN 0.044 nan 8.230 nan 0.000 0.450 493 c N 1.216 119.819 118.600 0.006 0.000 2.303 493 c HA 0.685 5.255 4.570 -0.000 0.000 0.341 493 c C 1.198 175.244 174.090 -0.073 0.000 1.244 493 c CA -1.713 54.606 56.329 -0.017 0.000 1.765 493 c CB -0.602 41.911 42.510 0.006 0.000 2.379 493 c HN 0.483 nan 8.230 nan 0.000 0.530 494 A N 3.976 126.754 122.820 -0.070 0.000 2.531 494 A HA 0.333 4.653 4.320 -0.000 0.000 0.236 494 A C 1.312 178.798 177.584 -0.163 0.000 1.062 494 A CA 0.261 52.242 52.037 -0.094 0.000 0.760 494 A CB 0.122 19.086 19.000 -0.060 0.000 0.995 494 A HN 0.957 nan 8.150 nan 0.000 0.501 495 R N 0.567 120.941 120.500 -0.210 0.000 4.000 495 R HA -0.265 4.075 4.340 -0.000 0.000 0.348 495 R C 1.192 177.072 176.300 -0.701 0.000 1.204 495 R CA 1.750 57.625 56.100 -0.374 0.000 0.987 495 R CB -2.041 28.089 30.300 -0.283 0.000 1.446 495 R HN 2.515 nan 8.270 nan 0.000 0.555 496 G N -0.338 108.194 108.800 -0.447 0.000 2.159 496 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.256 496 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.256 496 G C -0.038 174.667 174.900 -0.324 0.000 0.977 496 G CA 0.717 45.603 45.100 -0.357 0.000 0.652 496 G HN 0.562 nan 8.290 nan 0.000 0.531 497 H N 0.177 119.174 119.070 -0.123 0.000 2.502 497 H HA 0.646 5.202 4.556 -0.000 0.000 0.327 497 H C 0.806 176.048 175.328 -0.143 0.000 1.099 497 H CA 0.177 56.116 56.048 -0.181 0.000 1.323 497 H CB 1.098 30.722 29.762 -0.231 0.000 1.450 497 H HN 0.910 nan 8.280 nan 0.000 0.502 498 c N 0.703 119.275 118.600 -0.047 0.000 3.311 498 c HA 0.320 4.890 4.570 -0.000 0.000 0.325 498 c C -0.040 173.997 174.090 -0.089 0.000 1.352 498 c CA -1.088 55.235 56.329 -0.009 0.000 1.308 498 c CB 0.475 43.048 42.510 0.105 0.000 1.619 498 c HN 0.945 nan 8.230 nan 0.000 0.469 499 W N 1.404 122.684 121.300 -0.034 0.000 3.278 499 W HA 0.539 5.199 4.660 -0.000 0.000 0.308 499 W C 1.175 177.613 176.519 -0.136 0.000 1.253 499 W CA 0.963 58.279 57.345 -0.047 0.000 1.759 499 W CB 0.633 30.047 29.460 -0.076 0.000 1.093 499 W HN 1.353 nan 8.180 nan 0.000 0.648 500 G N -0.556 108.072 108.800 -0.287 0.000 2.320 500 G HA2 0.254 4.214 3.960 -0.000 0.000 0.296 500 G HA3 0.254 4.214 3.960 -0.000 0.000 0.296 500 G C -3.174 170.940 174.900 -1.311 0.000 1.306 500 G CA -1.126 43.234 45.100 -1.232 0.000 0.836 500 G HN -0.435 nan 8.290 nan 0.000 0.517 501 P HA 0.555 nan 4.420 nan 0.000 0.276 501 P C 0.435 177.478 177.300 -0.428 0.000 1.244 501 P CA 1.039 63.723 63.100 -0.694 0.000 0.801 501 P CB 1.463 32.730 31.700 -0.721 0.000 1.006 502 G N 2.352 111.020 108.800 -0.220 0.000 2.650 502 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 502 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 502 G C -2.324 172.407 174.900 -0.282 0.000 1.205 502 G CA -0.494 44.457 45.100 -0.249 0.000 0.781 502 G HN 0.374 nan 8.290 nan 0.000 0.648 503 P HA -0.014 nan 4.420 nan 0.000 0.239 503 P C 1.538 178.727 177.300 -0.184 0.000 1.184 503 P CA 1.745 64.589 63.100 -0.426 0.000 0.760 503 P CB -0.121 31.220 31.700 -0.599 0.000 0.884 504 T N -3.906 110.551 114.554 -0.162 0.000 3.081 504 T HA 0.049 4.399 4.350 -0.000 0.000 0.255 504 T C 1.522 176.188 174.700 -0.058 0.000 1.113 504 T CA 0.561 62.603 62.100 -0.097 0.000 1.082 504 T CB -0.300 68.513 68.868 -0.092 0.000 0.939 504 T HN 0.042 nan 8.240 nan 0.000 0.506 505 Q N 0.248 120.015 119.800 -0.055 0.000 2.219 505 Q HA 0.262 4.602 4.340 -0.000 0.000 0.209 505 Q C 0.266 176.327 176.000 0.103 0.000 0.854 505 Q CA -0.154 55.656 55.803 0.011 0.000 0.960 505 Q CB -0.064 28.629 28.738 -0.074 0.000 1.116 505 Q HN 0.551 nan 8.270 nan 0.000 0.500 506 c N 0.529 119.166 118.600 0.062 0.000 2.652 506 c HA 0.126 4.696 4.570 -0.000 0.000 0.412 506 c C 2.417 176.583 174.090 0.127 0.000 1.294 506 c CA -0.569 55.807 56.329 0.078 0.000 2.127 506 c CB 0.417 42.947 42.510 0.034 0.000 2.691 506 c HN 0.190 nan 8.230 nan 0.000 0.615 507 V N 2.032 122.022 119.914 0.127 0.000 2.379 507 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 507 V C 0.803 176.943 176.094 0.077 0.000 1.044 507 V CA 1.676 64.061 62.300 0.142 0.000 1.036 507 V CB -0.470 31.388 31.823 0.058 0.000 0.664 507 V HN 0.827 nan 8.190 nan 0.000 0.453 508 N N -1.075 117.653 118.700 0.048 0.000 2.454 508 N HA 0.237 4.977 4.740 -0.000 0.000 0.291 508 N C -1.278 174.225 175.510 -0.011 0.000 1.079 508 N CA -0.309 52.752 53.050 0.017 0.000 0.893 508 N CB 1.892 40.388 38.487 0.015 0.000 1.512 508 N HN 0.201 nan 8.380 nan 0.000 0.497 509 c N 2.369 120.950 118.600 -0.031 0.000 2.651 509 c HA 0.044 4.614 4.570 -0.000 0.000 0.410 509 c C 2.354 176.388 174.090 -0.093 0.000 1.372 509 c CA 0.201 56.495 56.329 -0.060 0.000 1.707 509 c CB -0.884 41.577 42.510 -0.082 0.000 2.501 509 c HN 0.844 nan 8.230 nan 0.000 0.598 510 S N 3.914 119.554 115.700 -0.100 0.000 2.356 510 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 510 S C 1.559 176.014 174.600 -0.241 0.000 1.032 510 S CA 1.640 59.758 58.200 -0.137 0.000 1.005 510 S CB -0.066 63.065 63.200 -0.116 0.000 0.867 510 S HN 0.909 nan 8.310 nan 0.000 0.449 511 Q N -0.310 119.296 119.800 -0.325 0.000 2.263 511 Q HA 0.458 4.798 4.340 -0.000 0.000 0.258 511 Q C -0.296 175.207 176.000 -0.828 0.000 0.993 511 Q CA 0.434 55.809 55.803 -0.714 0.000 0.820 511 Q CB -0.216 28.134 28.738 -0.646 0.000 1.737 511 Q HN 0.565 nan 8.270 nan 0.000 0.522 512 F N -0.087 119.828 119.950 -0.059 0.000 2.563 512 F HA 0.485 5.012 4.527 -0.000 0.000 0.316 512 F C -0.311 175.407 175.800 -0.137 0.000 1.076 512 F CA -0.860 57.083 58.000 -0.095 0.000 0.921 512 F CB 1.630 40.591 39.000 -0.065 0.000 1.209 512 F HN -0.037 nan 8.300 nan 0.000 0.462 513 L N 2.814 124.007 121.223 -0.051 0.000 2.262 513 L HA 0.488 4.828 4.340 -0.000 0.000 0.288 513 L C -0.317 176.505 176.870 -0.080 0.000 1.035 513 L CA -0.467 54.263 54.840 -0.183 0.000 0.820 513 L CB 1.309 43.038 42.059 -0.549 0.000 1.204 513 L HN 0.592 nan 8.230 nan 0.000 0.424 514 R N 3.537 124.026 120.500 -0.017 0.000 2.247 514 R HA 0.531 4.871 4.340 -0.000 0.000 0.329 514 R C 0.602 176.908 176.300 0.010 0.000 1.014 514 R CA 0.540 56.644 56.100 0.006 0.000 0.907 514 R CB 0.818 31.116 30.300 -0.002 0.000 1.146 514 R HN 0.807 nan 8.270 nan 0.000 0.499 515 G N 2.724 111.549 108.800 0.042 0.000 2.556 515 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.283 515 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.283 515 G C 0.114 175.039 174.900 0.040 0.000 1.177 515 G CA 0.191 45.315 45.100 0.039 0.000 0.978 515 G HN 0.579 nan 8.290 nan 0.000 0.554 516 Q N 1.213 121.019 119.800 0.011 0.000 2.246 516 Q HA 0.263 4.603 4.340 -0.000 0.000 0.202 516 Q C 0.776 176.757 176.000 -0.032 0.000 0.883 516 Q CA 0.484 56.285 55.803 -0.004 0.000 0.952 516 Q CB 0.738 29.471 28.738 -0.008 0.000 1.078 516 Q HN 0.734 nan 8.270 nan 0.000 0.493 517 E N 0.465 120.643 120.200 -0.036 0.000 2.175 517 E HA 0.193 4.543 4.350 -0.000 0.000 0.278 517 E C -0.995 175.573 176.600 -0.053 0.000 0.969 517 E CA -0.403 55.963 56.400 -0.057 0.000 0.796 517 E CB 1.300 30.967 29.700 -0.055 0.000 1.104 517 E HN 0.076 nan 8.360 nan 0.000 0.395 518 c N 5.397 123.957 118.600 -0.067 0.000 2.624 518 c HA 0.275 4.845 4.570 -0.000 0.000 0.397 518 c C -0.026 174.054 174.090 -0.017 0.000 1.331 518 c CA -0.503 55.800 56.329 -0.044 0.000 1.716 518 c CB -1.302 41.187 42.510 -0.035 0.000 2.452 518 c HN 0.443 nan 8.230 nan 0.000 0.586 519 V N 3.452 123.379 119.914 0.021 0.000 2.769 519 V HA 0.520 4.640 4.120 -0.000 0.000 0.312 519 V C 0.572 176.716 176.094 0.083 0.000 1.061 519 V CA -0.589 61.745 62.300 0.058 0.000 0.931 519 V CB 1.762 33.625 31.823 0.067 0.000 1.010 519 V HN 0.774 nan 8.190 nan 0.000 0.433 520 E N 1.932 122.179 120.200 0.078 0.000 2.047 520 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 520 E C 0.622 177.336 176.600 0.189 0.000 0.987 520 E CA 1.580 58.018 56.400 0.064 0.000 0.799 520 E CB 0.266 29.994 29.700 0.046 0.000 0.752 520 E HN 0.833 nan 8.360 nan 0.000 0.449 521 E N -0.400 119.921 120.200 0.202 0.000 2.248 521 E HA 0.242 4.592 4.350 -0.000 0.000 0.267 521 E C -0.875 175.804 176.600 0.131 0.000 0.877 521 E CA -0.768 55.763 56.400 0.218 0.000 0.759 521 E CB 1.813 31.577 29.700 0.106 0.000 1.182 521 E HN 0.158 nan 8.360 nan 0.000 0.418 522 c N 1.013 119.613 118.600 -0.001 0.000 2.711 522 c HA 0.216 4.786 4.570 -0.000 0.000 0.306 522 c C 1.030 175.080 174.090 -0.067 0.000 1.479 522 c CA -0.181 56.086 56.329 -0.103 0.000 2.271 522 c CB -0.145 42.189 42.510 -0.293 0.000 2.155 522 c HN 0.590 nan 8.230 nan 0.000 0.674 523 R N 0.686 121.143 120.500 -0.073 0.000 3.559 523 R HA 0.236 4.576 4.340 -0.000 0.000 0.273 523 R C 0.464 176.732 176.300 -0.053 0.000 1.423 523 R CA -0.097 55.974 56.100 -0.049 0.000 1.581 523 R CB 0.306 30.584 30.300 -0.036 0.000 1.338 523 R HN 0.613 nan 8.270 nan 0.000 0.667 524 V N -0.399 119.478 119.914 -0.062 0.000 2.599 524 V HA -0.044 4.076 4.120 -0.000 0.000 0.245 524 V C 1.428 177.494 176.094 -0.047 0.000 1.046 524 V CA 0.957 63.222 62.300 -0.060 0.000 1.065 524 V CB -0.141 31.637 31.823 -0.075 0.000 0.703 524 V HN 0.413 nan 8.190 nan 0.000 0.464 525 L N -0.497 120.705 121.223 -0.036 0.000 2.766 525 L HA 0.289 4.629 4.340 -0.000 0.000 0.241 525 L C 0.840 177.697 176.870 -0.022 0.000 1.080 525 L CA 0.318 55.140 54.840 -0.030 0.000 0.909 525 L CB 0.199 42.244 42.059 -0.023 0.000 1.277 525 L HN 0.418 nan 8.230 nan 0.000 0.510 526 Q N 0.028 119.817 119.800 -0.018 0.000 2.903 526 Q HA 0.612 4.952 4.340 -0.000 0.000 0.342 526 Q C -0.295 175.699 176.000 -0.011 0.000 0.808 526 Q CA -0.320 55.475 55.803 -0.012 0.000 1.004 526 Q CB 0.981 29.714 28.738 -0.007 0.000 1.470 526 Q HN 0.066 nan 8.270 nan 0.000 0.387 527 G N -0.046 108.746 108.800 -0.014 0.000 2.714 527 G HA2 0.556 4.516 3.960 -0.000 0.000 0.292 527 G HA3 0.556 4.516 3.960 -0.000 0.000 0.292 527 G C -0.134 174.759 174.900 -0.012 0.000 1.308 527 G CA -0.919 44.173 45.100 -0.013 0.000 0.964 527 G HN 0.229 nan 8.290 nan 0.000 0.484 528 L N 0.110 121.327 121.223 -0.011 0.000 2.004 528 L HA 0.187 4.527 4.340 -0.000 0.000 0.205 528 L C -1.194 175.671 176.870 -0.010 0.000 1.089 528 L CA 0.719 55.553 54.840 -0.009 0.000 0.756 528 L CB -0.746 41.308 42.059 -0.009 0.000 0.900 528 L HN 0.297 nan 8.230 nan 0.000 0.440 529 P HA 0.180 nan 4.420 nan 0.000 0.288 529 P C -1.069 176.223 177.300 -0.013 0.000 1.363 529 P CA -0.351 62.743 63.100 -0.011 0.000 0.837 529 P CB 0.614 32.305 31.700 -0.015 0.000 0.981 530 R N 2.825 123.320 120.500 -0.008 0.000 2.590 530 R HA 0.243 4.583 4.340 -0.000 0.000 0.274 530 R C 0.285 176.585 176.300 -0.001 0.000 1.061 530 R CA 0.232 56.326 56.100 -0.010 0.000 1.081 530 R CB 0.668 30.962 30.300 -0.009 0.000 0.984 530 R HN 0.542 nan 8.270 nan 0.000 0.448 531 E N 1.277 121.467 120.200 -0.018 0.000 2.369 531 E HA 0.300 4.650 4.350 -0.000 0.000 0.270 531 E C -1.157 175.443 176.600 0.001 0.000 0.909 531 E CA -0.888 55.489 56.400 -0.039 0.000 0.775 531 E CB 2.014 31.648 29.700 -0.110 0.000 1.270 531 E HN 0.502 nan 8.360 nan 0.000 0.445 532 Y N -1.721 118.554 120.300 -0.041 0.000 2.528 532 Y HA 0.693 5.243 4.550 -0.000 0.000 0.335 532 Y C -0.810 175.063 175.900 -0.045 0.000 1.093 532 Y CA -1.251 56.825 58.100 -0.040 0.000 1.134 532 Y CB 0.746 39.206 38.460 0.000 0.000 1.253 532 Y HN 0.140 nan 8.280 nan 0.000 0.478 533 V N 3.400 123.355 119.914 0.068 0.000 2.370 533 V HA 0.298 4.418 4.120 -0.000 0.000 0.279 533 V C -0.625 175.561 176.094 0.153 0.000 1.029 533 V CA -0.763 61.517 62.300 -0.033 0.000 0.870 533 V CB 1.049 32.772 31.823 -0.167 0.000 0.984 533 V HN 0.860 nan 8.190 nan 0.000 0.451 534 N N 3.914 122.691 118.700 0.129 0.000 2.573 534 N HA 0.421 5.161 4.740 -0.000 0.000 0.262 534 N C 0.115 175.725 175.510 0.166 0.000 1.029 534 N CA 0.358 53.524 53.050 0.193 0.000 0.882 534 N CB 1.662 40.315 38.487 0.277 0.000 1.204 534 N HN 1.022 nan 8.380 nan 0.000 0.519 535 A N 3.885 126.796 122.820 0.152 0.000 2.416 535 A HA -0.219 4.101 4.320 -0.000 0.000 0.293 535 A C 0.410 178.119 177.584 0.208 0.000 1.452 535 A CA 0.806 52.938 52.037 0.158 0.000 0.738 535 A CB -1.323 17.758 19.000 0.135 0.000 1.123 535 A HN 0.895 nan 8.150 nan 0.000 0.389 536 R N -0.705 119.926 120.500 0.218 0.000 3.146 536 R HA -0.177 4.163 4.340 -0.000 0.000 0.250 536 R C -0.357 176.025 176.300 0.137 0.000 0.912 536 R CA 1.510 57.775 56.100 0.275 0.000 0.633 536 R CB -1.972 28.440 30.300 0.187 0.000 1.180 536 R HN 0.972 nan 8.270 nan 0.000 0.464 537 H N -1.062 118.062 119.070 0.090 0.000 3.087 537 H HA 0.163 4.719 4.556 -0.000 0.000 0.348 537 H C -0.528 174.736 175.328 -0.106 0.000 1.092 537 H CA -0.538 55.516 56.048 0.010 0.000 1.285 537 H CB 1.723 31.478 29.762 -0.012 0.000 1.875 537 H HN 0.266 nan 8.280 nan 0.000 0.512 538 c N 5.174 123.775 118.600 0.002 0.000 2.373 538 c HA 0.469 5.039 4.570 -0.000 0.000 0.354 538 c C 0.317 174.300 174.090 -0.179 0.000 1.249 538 c CA -0.489 55.767 56.329 -0.121 0.000 1.784 538 c CB -1.311 41.152 42.510 -0.078 0.000 2.408 538 c HN 0.374 nan 8.230 nan 0.000 0.542 539 L N 6.460 127.430 121.223 -0.423 0.000 2.410 539 L HA 0.485 4.825 4.340 -0.000 0.000 0.270 539 L C -2.383 174.220 176.870 -0.445 0.000 0.983 539 L CA -1.546 52.985 54.840 -0.515 0.000 0.822 539 L CB 2.024 43.591 42.059 -0.819 0.000 1.285 539 L HN 0.345 nan 8.230 nan 0.000 0.409 540 P HA 0.210 nan 4.420 nan 0.000 0.274 540 P C -0.674 176.705 177.300 0.133 0.000 1.231 540 P CA -0.646 62.443 63.100 -0.019 0.000 0.790 540 P CB 0.630 32.319 31.700 -0.018 0.000 0.951 541 c N 0.221 118.912 118.600 0.152 0.000 2.641 541 c HA 0.209 4.779 4.570 -0.000 0.000 0.318 541 c C 1.173 175.343 174.090 0.133 0.000 1.490 541 c CA -0.132 56.308 56.329 0.185 0.000 2.260 541 c CB -1.212 41.378 42.510 0.134 0.000 2.103 541 c HN 0.570 nan 8.230 nan 0.000 0.641 542 H N 1.232 120.336 119.070 0.057 0.000 2.964 542 H HA 0.122 4.678 4.556 -0.000 0.000 0.328 542 H C -1.544 173.799 175.328 0.024 0.000 1.030 542 H CA -0.409 55.660 56.048 0.035 0.000 1.445 542 H CB 0.538 30.314 29.762 0.023 0.000 1.449 542 H HN 0.355 nan 8.280 nan 0.000 0.581 543 P HA -0.172 nan 4.420 nan 0.000 0.223 543 P C 0.164 177.507 177.300 0.072 0.000 1.140 543 P CA 1.313 64.418 63.100 0.008 0.000 0.783 543 P CB 0.322 31.994 31.700 -0.047 0.000 0.759 544 E N -0.924 119.373 120.200 0.162 0.000 2.542 544 E HA 0.130 4.480 4.350 -0.000 0.000 0.224 544 E C -0.769 175.881 176.600 0.082 0.000 1.110 544 E CA -0.188 56.283 56.400 0.118 0.000 1.350 544 E CB -0.207 29.572 29.700 0.132 0.000 1.302 544 E HN 0.162 nan 8.360 nan 0.000 0.435 545 c N 1.093 119.737 118.600 0.073 0.000 2.322 545 c HA 0.286 4.856 4.570 -0.000 0.000 0.324 545 c C 0.679 174.781 174.090 0.019 0.000 1.284 545 c CA -1.032 55.321 56.329 0.039 0.000 1.606 545 c CB 0.942 43.479 42.510 0.045 0.000 2.251 545 c HN 0.324 nan 8.230 nan 0.000 0.502 546 Q N 3.064 122.867 119.800 0.005 0.000 2.244 546 Q HA 0.093 4.433 4.340 -0.000 0.000 0.278 546 Q C -2.133 173.861 176.000 -0.010 0.000 1.093 546 Q CA -0.480 55.322 55.803 -0.002 0.000 0.916 546 Q CB 0.673 29.407 28.738 -0.006 0.000 1.159 546 Q HN 0.483 nan 8.270 nan 0.000 0.384 547 P HA 0.019 nan 4.420 nan 0.000 0.271 547 P C -0.762 176.525 177.300 -0.020 0.000 1.216 547 P CA 0.098 63.190 63.100 -0.014 0.000 0.776 547 P CB 0.660 32.354 31.700 -0.010 0.000 0.881 548 Q N 1.971 121.753 119.800 -0.029 0.000 2.266 548 Q HA 0.298 4.638 4.340 -0.000 0.000 0.261 548 Q C -0.297 175.687 176.000 -0.026 0.000 0.985 548 Q CA -0.614 55.171 55.803 -0.031 0.000 0.873 548 Q CB 0.957 29.667 28.738 -0.046 0.000 1.306 548 Q HN 0.319 nan 8.270 nan 0.000 0.447 549 N N 0.934 119.621 118.700 -0.021 0.000 2.421 549 N HA 0.177 4.917 4.740 -0.000 0.000 0.260 549 N C 0.564 176.064 175.510 -0.018 0.000 1.173 549 N CA 0.427 53.467 53.050 -0.017 0.000 0.960 549 N CB 0.328 38.808 38.487 -0.012 0.000 1.273 549 N HN 0.866 nan 8.380 nan 0.000 0.497 550 G N 0.620 109.409 108.800 -0.019 0.000 2.295 550 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.287 550 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.287 550 G C 0.010 174.896 174.900 -0.023 0.000 1.055 550 G CA 0.670 45.759 45.100 -0.018 0.000 0.922 550 G HN 0.677 nan 8.290 nan 0.000 0.503 551 S N -2.267 113.413 115.700 -0.034 0.000 2.625 551 S HA 0.654 5.124 4.470 -0.000 0.000 0.271 551 S C 0.162 174.717 174.600 -0.074 0.000 1.161 551 S CA -0.024 58.147 58.200 -0.048 0.000 0.820 551 S CB 1.573 64.746 63.200 -0.046 0.000 1.137 551 S HN 1.398 nan 8.310 nan 0.000 0.470 552 V N 2.971 122.818 119.914 -0.111 0.000 2.540 552 V HA 0.220 4.340 4.120 -0.000 0.000 0.297 552 V C 1.297 177.277 176.094 -0.191 0.000 1.024 552 V CA 0.298 62.491 62.300 -0.179 0.000 1.105 552 V CB 0.183 31.819 31.823 -0.312 0.000 0.938 552 V HN 0.974 nan 8.190 nan 0.000 0.482 553 T N 2.751 117.215 114.554 -0.149 0.000 2.939 553 T HA 0.077 4.427 4.350 -0.000 0.000 0.254 553 T C 0.607 175.222 174.700 -0.140 0.000 1.041 553 T CA 1.206 63.240 62.100 -0.111 0.000 1.142 553 T CB 0.060 68.896 68.868 -0.053 0.000 0.874 553 T HN 1.022 nan 8.240 nan 0.000 0.452 554 c N -1.199 117.298 118.600 -0.171 0.000 3.291 554 c HA 0.766 5.336 4.570 -0.000 0.000 0.316 554 c C 0.195 174.119 174.090 -0.277 0.000 1.391 554 c CA -1.179 55.044 56.329 -0.177 0.000 1.394 554 c CB -0.069 42.424 42.510 -0.029 0.000 1.744 554 c HN 0.192 nan 8.230 nan 0.000 0.461 555 F N 1.187 121.079 119.950 -0.097 0.000 2.717 555 F HA 0.555 5.082 4.527 -0.000 0.000 0.297 555 F C 1.422 176.985 175.800 -0.395 0.000 1.113 555 F CA 0.915 58.821 58.000 -0.156 0.000 1.319 555 F CB 0.548 39.481 39.000 -0.112 0.000 1.097 555 F HN 1.150 nan 8.300 nan 0.000 0.595 556 G N -0.774 107.831 108.800 -0.325 0.000 2.663 556 G HA2 0.348 4.308 3.960 -0.000 0.000 0.299 556 G HA3 0.348 4.308 3.960 -0.000 0.000 0.299 556 G C -2.354 172.287 174.900 -0.431 0.000 1.372 556 G CA -0.646 44.011 45.100 -0.739 0.000 0.781 556 G HN -0.307 nan 8.290 nan 0.000 0.491 557 P HA 0.108 nan 4.420 nan 0.000 0.224 557 P C 0.519 177.913 177.300 0.157 0.000 1.157 557 P CA 0.758 63.957 63.100 0.165 0.000 0.799 557 P CB 0.607 32.447 31.700 0.233 0.000 0.809 558 E N -0.630 119.621 120.200 0.084 0.000 2.385 558 E HA 0.416 4.766 4.350 -0.000 0.000 0.254 558 E C 1.454 178.060 176.600 0.008 0.000 1.228 558 E CA -0.048 56.409 56.400 0.095 0.000 0.956 558 E CB 0.179 29.896 29.700 0.028 0.000 1.116 558 E HN -0.120 nan 8.360 nan 0.000 0.507 559 A N 0.973 123.697 122.820 -0.160 0.000 2.067 559 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 559 A C 1.343 178.863 177.584 -0.107 0.000 1.156 559 A CA 1.433 53.327 52.037 -0.240 0.000 0.683 559 A CB -0.476 18.252 19.000 -0.453 0.000 0.808 559 A HN 0.701 nan 8.150 nan 0.000 0.455 560 D N -0.671 119.686 120.400 -0.072 0.000 2.347 560 D HA -0.144 4.496 4.640 -0.000 0.000 0.215 560 D C 1.229 177.524 176.300 -0.008 0.000 0.976 560 D CA 0.656 54.633 54.000 -0.038 0.000 0.884 560 D CB -0.270 40.511 40.800 -0.033 0.000 0.915 560 D HN 0.568 nan 8.370 nan 0.000 0.526 561 Q N 0.160 119.959 119.800 -0.002 0.000 2.392 561 Q HA 0.099 4.439 4.340 -0.000 0.000 0.203 561 Q C 0.906 176.929 176.000 0.038 0.000 0.917 561 Q CA 0.003 55.830 55.803 0.039 0.000 0.939 561 Q CB 0.684 29.427 28.738 0.008 0.000 1.063 561 Q HN 0.338 nan 8.270 nan 0.000 0.516 562 c N 0.099 118.701 118.600 0.004 0.000 2.705 562 c HA 0.062 4.632 4.570 -0.000 0.000 0.382 562 c C 2.193 176.274 174.090 -0.016 0.000 1.322 562 c CA -0.559 55.762 56.329 -0.013 0.000 2.290 562 c CB 0.380 42.885 42.510 -0.008 0.000 2.650 562 c HN 0.224 nan 8.230 nan 0.000 0.695 563 V N 0.896 120.786 119.914 -0.040 0.000 2.725 563 V HA 0.278 4.398 4.120 -0.000 0.000 0.247 563 V C 0.936 177.019 176.094 -0.018 0.000 1.058 563 V CA 2.039 64.317 62.300 -0.037 0.000 1.080 563 V CB -0.213 31.566 31.823 -0.073 0.000 0.713 563 V HN 1.045 nan 8.190 nan 0.000 0.465 564 A N 0.000 122.810 122.820 -0.017 0.000 2.254 564 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 564 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 564 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 564 A HN 0.000 nan 8.150 nan 0.000 0.486