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 3be1_1_A DATA FIRST_RESID 1 DATA SEQUENCE TQVcTGTDMK LRLPASPETH LDMLRHLYQG cQVVQGNLEL TYLPTNASLS DATA SEQUENCE FLQDIQEVQG YVLIAHNQVR QVPLQRLRIV RGTQLFEDNY ALAVLDNGDP DATA SEQUENCE XXXXXXXXXX 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 GXXXXNTAPL QPEQLQVFET LEEITGYLYI SAWPDSLPDL DATA SEQUENCE SVFQNLQVIR GRILHNGAYS LTLQGLGISW LGLRSLRELG SGLALIHHNT DATA SEQUENCE HLcFVHTVPW DQLFRNPHQA LLHTANRPED EcVGEGLAcH QLcARGHcWG DATA SEQUENCE PGPTQcVNcS QFLRGQEcVE EcRVLQGLPR EYVNARHcLP cHPEcQPQNG DATA SEQUENCE SVTcFGPEAD QcVAcAHYKD PPFcVARCPS XXXXXXXXXX IWKFPDEEGA DATA SEQUENCE CQPCPIN 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 0.000 174.816 174.700 0.194 0.000 1.109 1 T CA 0.000 62.216 62.100 0.193 0.000 1.349 1 T CB 0.000 69.001 68.868 0.222 0.000 0.612 2 Q N 1.190 121.062 119.800 0.120 0.000 2.096 2 Q HA 0.016 4.356 4.340 0.000 0.000 0.204 2 Q C 0.437 176.478 176.000 0.069 0.000 0.982 2 Q CA 1.386 57.242 55.803 0.087 0.000 0.850 2 Q CB -0.281 28.495 28.738 0.063 0.000 0.901 2 Q HN 0.529 nan 8.270 nan 0.000 0.422 3 V N 2.843 122.796 119.914 0.066 0.000 2.350 3 V HA 0.221 4.342 4.120 0.000 0.000 0.276 3 V C 0.272 176.342 176.094 -0.041 0.000 1.028 3 V CA -0.997 61.319 62.300 0.027 0.000 0.860 3 V CB 0.699 32.561 31.823 0.065 0.000 0.990 3 V HN 0.589 nan 8.190 nan 0.000 0.453 4 c N 2.519 121.068 118.600 -0.085 0.000 2.407 4 c HA 0.834 5.404 4.570 0.000 0.000 0.366 4 c C 0.629 174.668 174.090 -0.085 0.000 1.213 4 c CA -0.623 55.570 56.329 -0.227 0.000 2.011 4 c CB 1.230 43.594 42.510 -0.242 0.000 2.306 4 c HN 0.723 nan 8.230 nan 0.000 0.527 5 T N -0.548 113.937 114.554 -0.116 0.000 2.881 5 T HA 0.646 4.996 4.350 0.000 0.000 0.278 5 T C 0.629 175.296 174.700 -0.056 0.000 0.982 5 T CA 0.619 62.697 62.100 -0.037 0.000 0.989 5 T CB 0.872 69.722 68.868 -0.030 0.000 1.058 5 T HN 1.157 nan 8.240 nan 0.000 0.529 6 G N 0.374 109.160 108.800 -0.023 0.000 2.890 6 G HA2 0.647 4.607 3.960 0.000 0.000 0.189 6 G HA3 0.647 4.607 3.960 0.000 0.000 0.189 6 G C -0.160 174.710 174.900 -0.050 0.000 1.342 6 G CA -0.015 45.087 45.100 0.004 0.000 1.026 6 G HN 0.955 nan 8.290 nan 0.000 0.579 7 T N -3.321 111.222 114.554 -0.018 0.000 2.858 7 T HA 0.592 4.942 4.350 0.000 0.000 0.285 7 T C -1.674 173.024 174.700 -0.004 0.000 1.052 7 T CA -0.552 61.530 62.100 -0.030 0.000 1.009 7 T CB 2.497 71.361 68.868 -0.006 0.000 1.241 7 T HN 0.407 nan 8.240 nan 0.000 0.542 8 D N 0.478 120.888 120.400 0.017 0.000 2.752 8 D HA 0.243 4.883 4.640 0.000 0.000 0.242 8 D C 0.283 176.619 176.300 0.061 0.000 1.295 8 D CA -0.396 53.642 54.000 0.062 0.000 0.846 8 D CB 0.256 41.079 40.800 0.038 0.000 1.454 8 D HN 0.773 nan 8.370 nan 0.000 0.535 9 M N -0.383 119.294 119.600 0.128 0.000 2.249 9 M HA 0.323 4.803 4.480 0.000 0.000 0.318 9 M C 0.801 177.219 176.300 0.196 0.000 0.930 9 M CA -0.256 55.123 55.300 0.132 0.000 1.080 9 M CB 0.535 33.231 32.600 0.160 0.000 1.797 9 M HN -0.126 nan 8.290 nan 0.000 0.619 10 K N 1.313 121.884 120.400 0.285 0.000 1.721 10 K HA -0.241 4.079 4.320 0.000 0.000 0.121 10 K C 0.660 177.464 176.600 0.341 0.000 1.152 10 K CA 2.207 58.731 56.287 0.394 0.000 0.360 10 K CB -1.651 31.036 32.500 0.311 0.000 0.626 10 K HN 0.445 nan 8.250 nan 0.000 0.878 11 L N 1.539 122.953 121.223 0.318 0.000 2.700 11 L HA 0.164 4.504 4.340 0.000 0.000 0.234 11 L C 0.770 177.803 176.870 0.273 0.000 1.156 11 L CA -0.185 54.833 54.840 0.297 0.000 0.946 11 L CB 0.002 42.229 42.059 0.280 0.000 1.216 11 L HN 0.216 nan 8.230 nan 0.000 0.493 12 R N 0.778 121.396 120.500 0.197 0.000 2.491 12 R HA 0.234 4.574 4.340 0.000 0.000 0.283 12 R C -0.367 175.930 176.300 -0.003 0.000 1.072 12 R CA -0.590 55.566 56.100 0.092 0.000 1.048 12 R CB 1.002 31.346 30.300 0.073 0.000 0.983 12 R HN -0.019 nan 8.270 nan 0.000 0.450 13 L N 5.874 126.989 121.223 -0.180 0.000 2.410 13 L HA 0.164 4.504 4.340 0.000 0.000 0.273 13 L C -1.885 174.802 176.870 -0.305 0.000 1.144 13 L CA -1.263 53.284 54.840 -0.487 0.000 0.863 13 L CB 0.468 42.261 42.059 -0.443 0.000 1.140 13 L HN 0.484 nan 8.230 nan 0.000 0.463 14 P HA 0.088 nan 4.420 nan 0.000 0.271 14 P C -0.092 177.108 177.300 -0.167 0.000 1.220 14 P CA -0.194 62.769 63.100 -0.229 0.000 0.768 14 P CB 1.156 32.580 31.700 -0.460 0.000 0.848 15 A N 2.698 125.472 122.820 -0.076 0.000 2.067 15 A HA -0.046 4.274 4.320 0.000 0.000 0.219 15 A C 1.463 178.937 177.584 -0.182 0.000 1.158 15 A CA 1.204 53.201 52.037 -0.067 0.000 0.661 15 A CB -0.380 18.654 19.000 0.057 0.000 0.801 15 A HN 0.516 nan 8.150 nan 0.000 0.452 16 S N -0.546 114.998 115.700 -0.260 0.000 2.060 16 S HA 0.458 4.928 4.470 0.000 0.000 0.156 16 S C -2.027 172.507 174.600 -0.111 0.000 1.690 16 S CA -1.364 56.643 58.200 -0.321 0.000 1.238 16 S CB 0.412 63.252 63.200 -0.600 0.000 1.150 16 S HN 0.076 nan 8.310 nan 0.000 0.437 17 P HA -0.153 nan 4.420 nan 0.000 0.218 17 P C 0.784 178.111 177.300 0.047 0.000 1.150 17 P CA 1.321 64.423 63.100 0.004 0.000 0.841 17 P CB 0.166 31.857 31.700 -0.014 0.000 0.784 18 E N -1.761 118.440 120.200 0.001 0.000 2.347 18 E HA -0.071 4.279 4.350 0.000 0.000 0.196 18 E C 1.551 178.148 176.600 -0.005 0.000 1.008 18 E CA 1.530 57.928 56.400 -0.003 0.000 0.852 18 E CB -0.835 28.846 29.700 -0.032 0.000 0.783 18 E HN 0.419 nan 8.360 nan 0.000 0.505 19 T N -3.902 110.653 114.554 0.000 0.000 3.004 19 T HA 0.101 4.451 4.350 0.000 0.000 0.266 19 T C 1.407 176.164 174.700 0.095 0.000 0.986 19 T CA -0.087 62.023 62.100 0.016 0.000 0.902 19 T CB -0.176 68.669 68.868 -0.037 0.000 1.118 19 T HN 0.058 nan 8.240 nan 0.000 0.522 20 H N 1.900 120.991 119.070 0.035 0.000 2.292 20 H HA -0.068 4.489 4.556 0.000 0.000 0.292 20 H C 1.855 177.243 175.328 0.100 0.000 1.100 20 H CA 2.064 58.165 56.048 0.089 0.000 1.238 20 H CB -0.605 29.214 29.762 0.095 0.000 1.355 20 H HN 0.304 nan 8.280 nan 0.000 0.484 21 L N 0.578 121.809 121.223 0.013 0.000 2.141 21 L HA -0.073 4.268 4.340 0.000 0.000 0.209 21 L C 1.251 178.088 176.870 -0.054 0.000 1.094 21 L CA 1.929 56.757 54.840 -0.020 0.000 0.763 21 L CB -0.542 41.575 42.059 0.096 0.000 0.908 21 L HN 0.305 nan 8.230 nan 0.000 0.437 22 D N -1.175 119.214 120.400 -0.018 0.000 2.264 22 D HA -0.198 4.442 4.640 0.000 0.000 0.208 22 D C 2.099 178.411 176.300 0.020 0.000 0.966 22 D CA 0.854 54.847 54.000 -0.012 0.000 0.864 22 D CB -0.291 40.556 40.800 0.080 0.000 0.933 22 D HN 0.324 nan 8.370 nan 0.000 0.499 23 M N 0.303 119.883 119.600 -0.034 0.000 2.123 23 M HA -0.067 4.413 4.480 0.000 0.000 0.263 23 M C 1.728 177.894 176.300 -0.224 0.000 1.069 23 M CA 1.184 56.436 55.300 -0.080 0.000 1.133 23 M CB -0.277 32.303 32.600 -0.033 0.000 1.356 23 M HN 0.039 nan 8.290 nan 0.000 0.415 24 L N -0.334 120.726 121.223 -0.272 0.000 2.017 24 L HA -0.209 4.131 4.340 0.000 0.000 0.208 24 L C 2.752 179.212 176.870 -0.683 0.000 1.073 24 L CA 1.546 56.222 54.840 -0.272 0.000 0.745 24 L CB -0.870 41.199 42.059 0.015 0.000 0.894 24 L HN 0.341 nan 8.230 nan 0.000 0.432 25 R N -0.879 119.003 120.500 -1.029 0.000 2.091 25 R HA -0.193 4.147 4.340 0.000 0.000 0.238 25 R C 2.478 178.329 176.300 -0.748 0.000 1.136 25 R CA 1.467 56.686 56.100 -1.469 0.000 0.959 25 R CB -0.219 29.585 30.300 -0.828 0.000 0.856 25 R HN 0.419 nan 8.270 nan 0.000 0.437 26 H N 0.310 119.113 119.070 -0.445 0.000 2.357 26 H HA -0.076 4.480 4.556 0.000 0.000 0.301 26 H C 2.202 177.382 175.328 -0.247 0.000 1.082 26 H CA 1.713 57.575 56.048 -0.309 0.000 1.342 26 H CB -0.078 29.529 29.762 -0.259 0.000 1.389 26 H HN 0.237 nan 8.280 nan 0.000 0.511 27 L N -0.195 120.891 121.223 -0.229 0.000 2.012 27 L HA -0.244 4.096 4.340 0.000 0.000 0.210 27 L C 2.003 178.788 176.870 -0.142 0.000 1.073 27 L CA 1.585 56.220 54.840 -0.341 0.000 0.748 27 L CB -0.455 41.029 42.059 -0.959 0.000 0.891 27 L HN 0.275 nan 8.230 nan 0.000 0.431 28 Y N -1.387 118.905 120.300 -0.012 0.000 2.481 28 Y HA 0.141 4.691 4.550 0.000 0.000 0.258 28 Y C 1.268 177.237 175.900 0.114 0.000 1.103 28 Y CA -0.797 57.350 58.100 0.077 0.000 1.287 28 Y CB -0.197 38.354 38.460 0.151 0.000 1.108 28 Y HN 0.148 nan 8.280 nan 0.000 0.529 29 Q N 0.485 120.354 119.800 0.115 0.000 2.247 29 Q HA 0.275 4.615 4.340 0.000 0.000 0.288 29 Q C 1.219 177.278 176.000 0.099 0.000 1.079 29 Q CA 1.387 57.249 55.803 0.099 0.000 0.932 29 Q CB 0.003 28.710 28.738 -0.053 0.000 1.133 29 Q HN 0.665 nan 8.270 nan 0.000 0.377 30 G N 2.342 111.216 108.800 0.124 0.000 2.225 30 G HA2 -0.343 3.617 3.960 0.000 0.000 0.254 30 G HA3 -0.343 3.617 3.960 0.000 0.000 0.254 30 G C 0.247 175.236 174.900 0.149 0.000 0.988 30 G CA -0.055 45.108 45.100 0.104 0.000 0.625 30 G HN 0.779 nan 8.290 nan 0.000 0.527 31 c N 1.716 120.447 118.600 0.218 0.000 2.629 31 c HA 0.581 5.151 4.570 0.000 0.000 0.410 31 c C 1.909 176.068 174.090 0.115 0.000 1.339 31 c CA 0.741 57.189 56.329 0.198 0.000 1.810 31 c CB 0.346 43.016 42.510 0.267 0.000 2.549 31 c HN 0.597 nan 8.230 nan 0.000 0.589 32 Q N 3.350 123.194 119.800 0.073 0.000 2.394 32 Q HA 0.180 4.521 4.340 0.000 0.000 0.218 32 Q C -0.160 175.845 176.000 0.008 0.000 0.907 32 Q CA 0.663 56.484 55.803 0.031 0.000 0.919 32 Q CB 0.287 29.038 28.738 0.022 0.000 1.051 32 Q HN 0.646 nan 8.270 nan 0.000 0.538 33 V N 2.007 121.927 119.914 0.009 0.000 2.376 33 V HA 0.237 4.357 4.120 0.000 0.000 0.287 33 V C -0.364 175.723 176.094 -0.013 0.000 1.015 33 V CA -0.681 61.604 62.300 -0.024 0.000 0.834 33 V CB 1.939 33.728 31.823 -0.058 0.000 1.001 33 V HN -0.080 nan 8.190 nan 0.000 0.428 34 V N 5.464 125.374 119.914 -0.007 0.000 2.372 34 V HA 0.184 4.304 4.120 0.000 0.000 0.261 34 V C 0.626 176.707 176.094 -0.022 0.000 1.055 34 V CA -0.293 62.023 62.300 0.026 0.000 0.930 34 V CB 1.069 32.918 31.823 0.044 0.000 1.031 34 V HN 0.817 nan 8.190 nan 0.000 0.479 35 Q N 4.521 124.305 119.800 -0.026 0.000 3.184 35 Q HA 0.417 4.757 4.340 0.000 0.000 0.288 35 Q C 0.689 176.687 176.000 -0.004 0.000 1.412 35 Q CA 0.436 56.216 55.803 -0.039 0.000 0.991 35 Q CB 0.786 29.512 28.738 -0.020 0.000 1.688 35 Q HN 1.031 nan 8.270 nan 0.000 0.554 36 G N 1.136 109.921 108.800 -0.026 0.000 2.491 36 G HA2 -0.034 3.926 3.960 0.000 0.000 0.183 36 G HA3 -0.034 3.926 3.960 0.000 0.000 0.183 36 G C -1.248 173.583 174.900 -0.114 0.000 1.221 36 G CA -0.836 44.240 45.100 -0.040 0.000 0.996 36 G HN 0.330 nan 8.290 nan 0.000 0.474 37 N N 0.247 118.836 118.700 -0.185 0.000 2.361 37 N HA 0.574 5.314 4.740 0.000 0.000 0.302 37 N C -1.200 174.191 175.510 -0.199 0.000 1.074 37 N CA -0.431 52.374 53.050 -0.407 0.000 0.850 37 N CB 2.439 40.426 38.487 -0.832 0.000 1.228 37 N HN 0.541 nan 8.380 nan 0.000 0.491 38 L N 1.531 122.638 121.223 -0.193 0.000 2.259 38 L HA 0.341 4.681 4.340 0.000 0.000 0.288 38 L C -0.448 176.388 176.870 -0.056 0.000 1.051 38 L CA -0.016 54.773 54.840 -0.085 0.000 0.824 38 L CB 0.107 42.067 42.059 -0.164 0.000 1.206 38 L HN 0.434 nan 8.230 nan 0.000 0.429 39 E N 6.217 126.445 120.200 0.048 0.000 2.191 39 E HA 0.493 4.843 4.350 0.000 0.000 0.263 39 E C -1.329 175.354 176.600 0.138 0.000 0.881 39 E CA -0.444 56.015 56.400 0.098 0.000 0.757 39 E CB 1.862 31.653 29.700 0.152 0.000 1.147 39 E HN 0.528 nan 8.360 nan 0.000 0.414 40 L N 3.196 124.477 121.223 0.096 0.000 2.342 40 L HA 0.500 4.840 4.340 0.000 0.000 0.276 40 L C -0.473 176.457 176.870 0.100 0.000 0.997 40 L CA -0.531 54.377 54.840 0.115 0.000 0.838 40 L CB 1.486 43.572 42.059 0.044 0.000 1.224 40 L HN 0.579 nan 8.230 nan 0.000 0.416 41 T N -2.066 112.605 114.554 0.195 0.000 2.923 41 T HA 0.519 4.870 4.350 0.000 0.000 0.311 41 T C -0.275 174.549 174.700 0.206 0.000 1.183 41 T CA -0.689 61.458 62.100 0.078 0.000 1.020 41 T CB 1.096 70.019 68.868 0.092 0.000 1.165 41 T HN 0.474 nan 8.240 nan 0.000 0.482 42 Y N -0.485 119.908 120.300 0.154 0.000 3.389 42 Y HA -0.155 4.395 4.550 -0.000 0.000 0.213 42 Y C -0.082 175.907 175.900 0.148 0.000 1.272 42 Y CA -0.199 57.967 58.100 0.110 0.000 1.444 42 Y CB -2.067 36.391 38.460 -0.004 0.000 1.445 42 Y HN 0.622 nan 8.280 nan 0.000 0.583 43 L N 3.266 124.610 121.223 0.202 0.000 2.282 43 L HA 0.486 4.826 4.340 0.000 0.000 0.288 43 L C -1.910 175.029 176.870 0.116 0.000 1.033 43 L CA -1.962 52.983 54.840 0.175 0.000 0.807 43 L CB 1.364 43.503 42.059 0.133 0.000 1.209 43 L HN -0.150 nan 8.230 nan 0.000 0.423 44 P HA 0.108 nan 4.420 nan 0.000 0.278 44 P C 0.603 177.935 177.300 0.053 0.000 1.238 44 P CA -0.336 62.812 63.100 0.079 0.000 0.794 44 P CB 1.158 32.905 31.700 0.079 0.000 0.955 45 T N 1.373 115.951 114.554 0.039 0.000 2.719 45 T HA -0.253 4.097 4.350 0.000 0.000 0.254 45 T C 1.288 176.000 174.700 0.020 0.000 1.106 45 T CA 2.528 64.642 62.100 0.025 0.000 1.146 45 T CB -1.031 67.850 68.868 0.022 0.000 0.839 45 T HN 0.683 nan 8.240 nan 0.000 0.473 46 N N 1.395 120.111 118.700 0.026 0.000 2.313 46 N HA 0.311 5.051 4.740 0.000 0.000 0.207 46 N C -0.060 175.464 175.510 0.024 0.000 1.141 46 N CA 0.155 53.217 53.050 0.021 0.000 0.830 46 N CB -0.108 38.392 38.487 0.022 0.000 1.008 46 N HN 0.444 nan 8.380 nan 0.000 0.481 47 A N 0.972 123.810 122.820 0.029 0.000 2.404 47 A HA 0.389 4.709 4.320 0.000 0.000 0.273 47 A C 0.507 178.091 177.584 0.000 0.000 1.144 47 A CA -0.523 51.536 52.037 0.037 0.000 0.806 47 A CB -0.081 18.955 19.000 0.060 0.000 1.080 47 A HN 0.438 nan 8.150 nan 0.000 0.509 48 S N 2.953 118.655 115.700 0.003 0.000 2.474 48 S HA 0.468 4.939 4.470 0.000 0.000 0.276 48 S C 0.043 174.551 174.600 -0.154 0.000 1.227 48 S CA -0.543 57.628 58.200 -0.049 0.000 1.050 48 S CB 0.278 63.469 63.200 -0.015 0.000 0.939 48 S HN 0.571 nan 8.310 nan 0.000 0.490 49 L N 3.496 124.532 121.223 -0.312 0.000 3.017 49 L HA 0.193 4.533 4.340 0.000 0.000 0.255 49 L C 1.979 178.407 176.870 -0.737 0.000 1.247 49 L CA -0.154 54.253 54.840 -0.722 0.000 1.038 49 L CB -0.216 41.560 42.059 -0.471 0.000 1.380 49 L HN 0.914 nan 8.230 nan 0.000 0.548 50 S N 0.520 115.960 115.700 -0.433 0.000 2.419 50 S HA -0.220 4.250 4.470 0.000 0.000 0.233 50 S C 1.831 176.306 174.600 -0.208 0.000 1.016 50 S CA 0.932 58.986 58.200 -0.244 0.000 0.974 50 S CB -0.599 62.540 63.200 -0.102 0.000 0.786 50 S HN 0.569 nan 8.310 nan 0.000 0.492 51 F N 1.690 121.630 119.950 -0.016 0.000 2.408 51 F HA 0.255 4.782 4.527 -0.000 0.000 0.300 51 F C 1.554 177.357 175.800 0.005 0.000 1.090 51 F CA 0.045 58.045 58.000 0.000 0.000 1.427 51 F CB -0.953 38.056 39.000 0.015 0.000 1.070 51 F HN 0.140 nan 8.300 nan 0.000 0.549 52 L N 0.079 121.208 121.223 -0.156 0.000 2.552 52 L HA -0.040 4.300 4.340 0.000 0.000 0.227 52 L C 2.303 179.119 176.870 -0.089 0.000 1.146 52 L CA 0.444 55.224 54.840 -0.100 0.000 0.858 52 L CB -0.956 40.953 42.059 -0.252 0.000 0.969 52 L HN 0.255 nan 8.230 nan 0.000 0.451 53 Q N 0.417 120.171 119.800 -0.075 0.000 2.152 53 Q HA -0.226 4.114 4.340 0.000 0.000 0.206 53 Q C 1.036 177.012 176.000 -0.041 0.000 0.985 53 Q CA 1.701 57.466 55.803 -0.063 0.000 0.863 53 Q CB 0.013 28.725 28.738 -0.044 0.000 0.904 53 Q HN 0.512 nan 8.270 nan 0.000 0.422 54 D N -0.249 120.147 120.400 -0.007 0.000 2.339 54 D HA 0.084 4.724 4.640 0.000 0.000 0.217 54 D C -0.022 176.273 176.300 -0.008 0.000 1.050 54 D CA 0.224 54.225 54.000 0.001 0.000 0.856 54 D CB 0.203 41.021 40.800 0.031 0.000 0.922 54 D HN 0.263 nan 8.370 nan 0.000 0.518 55 I N 1.578 122.129 120.570 -0.032 0.000 2.517 55 I HA -0.034 4.136 4.170 0.000 0.000 0.285 55 I C 1.514 177.595 176.117 -0.059 0.000 1.106 55 I CA 0.226 61.497 61.300 -0.048 0.000 1.402 55 I CB 0.846 38.785 38.000 -0.102 0.000 1.399 55 I HN -0.202 nan 8.210 nan 0.000 0.535 56 Q N 4.728 124.501 119.800 -0.045 0.000 2.390 56 Q HA 0.187 4.528 4.340 0.000 0.000 0.216 56 Q C -0.207 175.762 176.000 -0.052 0.000 0.916 56 Q CA 0.499 56.273 55.803 -0.049 0.000 0.911 56 Q CB 0.633 29.350 28.738 -0.035 0.000 1.035 56 Q HN 0.658 nan 8.270 nan 0.000 0.541 57 E N 0.516 120.686 120.200 -0.050 0.000 2.317 57 E HA 0.507 4.857 4.350 0.000 0.000 0.270 57 E C -1.482 175.085 176.600 -0.055 0.000 0.885 57 E CA -0.602 55.767 56.400 -0.052 0.000 0.760 57 E CB 3.221 32.887 29.700 -0.056 0.000 1.227 57 E HN -0.191 nan 8.360 nan 0.000 0.434 58 V N 2.807 122.689 119.914 -0.052 0.000 2.409 58 V HA 0.049 4.169 4.120 0.000 0.000 0.290 58 V C 0.901 176.966 176.094 -0.047 0.000 1.017 58 V CA -0.383 61.884 62.300 -0.054 0.000 0.841 58 V CB 1.383 33.171 31.823 -0.058 0.000 1.003 58 V HN 0.779 nan 8.190 nan 0.000 0.426 59 Q N 3.666 123.432 119.800 -0.057 0.000 2.135 59 Q HA -0.083 4.257 4.340 0.000 0.000 0.204 59 Q C 1.539 177.523 176.000 -0.026 0.000 0.981 59 Q CA 2.268 58.038 55.803 -0.054 0.000 0.856 59 Q CB 0.066 28.765 28.738 -0.065 0.000 0.902 59 Q HN 0.953 nan 8.270 nan 0.000 0.425 60 G N -0.936 107.841 108.800 -0.039 0.000 3.348 60 G HA2 0.221 4.181 3.960 0.000 0.000 0.180 60 G HA3 0.221 4.181 3.960 0.000 0.000 0.180 60 G C -0.556 174.385 174.900 0.067 0.000 1.915 60 G CA 0.255 45.350 45.100 -0.009 0.000 0.937 60 G HN 0.411 nan 8.290 nan 0.000 0.564 61 Y N -2.105 118.232 120.300 0.063 0.000 2.602 61 Y HA 0.755 5.305 4.550 0.001 0.000 0.342 61 Y C -0.868 175.066 175.900 0.056 0.000 1.029 61 Y CA -1.768 56.378 58.100 0.077 0.000 1.080 61 Y CB 1.563 40.101 38.460 0.131 0.000 1.284 61 Y HN 0.239 nan 8.280 nan 0.000 0.485 62 V N 3.294 123.345 119.914 0.229 0.000 2.384 62 V HA 0.435 4.555 4.120 0.000 0.000 0.287 62 V C -1.012 175.179 176.094 0.163 0.000 1.020 62 V CA -0.558 61.800 62.300 0.096 0.000 0.850 62 V CB 1.178 33.020 31.823 0.031 0.000 0.987 62 V HN 0.731 nan 8.190 nan 0.000 0.436 63 L N 7.017 128.308 121.223 0.114 0.000 2.333 63 L HA 0.693 5.033 4.340 0.000 0.000 0.280 63 L C -0.775 176.071 176.870 -0.039 0.000 1.004 63 L CA 0.091 54.935 54.840 0.005 0.000 0.820 63 L CB 1.399 43.502 42.059 0.073 0.000 1.247 63 L HN 0.580 nan 8.230 nan 0.000 0.416 64 I N 5.754 126.266 120.570 -0.096 0.000 2.466 64 I HA 0.730 4.900 4.170 0.000 0.000 0.279 64 I C -0.539 175.502 176.117 -0.126 0.000 1.033 64 I CA -0.313 60.939 61.300 -0.080 0.000 1.123 64 I CB 1.399 39.360 38.000 -0.066 0.000 1.237 64 I HN 0.785 nan 8.210 nan 0.000 0.460 65 A N 3.999 126.744 122.820 -0.125 0.000 2.572 65 A HA 0.604 4.924 4.320 0.000 0.000 0.295 65 A C 0.007 177.456 177.584 -0.224 0.000 1.072 65 A CA -0.446 51.479 52.037 -0.187 0.000 0.691 65 A CB 0.874 19.786 19.000 -0.147 0.000 1.291 65 A HN 0.775 nan 8.150 nan 0.000 0.404 66 H N 0.186 119.072 119.070 -0.306 0.000 2.713 66 H HA -0.138 4.418 4.556 -0.000 0.000 0.311 66 H C -0.262 174.901 175.328 -0.275 0.000 1.175 66 H CA 1.230 57.059 56.048 -0.365 0.000 1.143 66 H CB -1.113 28.202 29.762 -0.746 0.000 1.434 66 H HN 0.620 nan 8.280 nan 0.000 0.418 67 N N 0.897 119.538 118.700 -0.099 0.000 2.405 67 N HA 0.130 4.870 4.740 0.000 0.000 0.299 67 N C 1.071 176.574 175.510 -0.011 0.000 1.075 67 N CA -0.352 52.681 53.050 -0.028 0.000 0.884 67 N CB 1.516 39.987 38.487 -0.027 0.000 1.194 67 N HN 0.346 nan 8.380 nan 0.000 0.491 68 Q N 0.108 119.921 119.800 0.022 0.000 2.408 68 Q HA 0.146 4.486 4.340 0.000 0.000 0.205 68 Q C 0.685 176.692 176.000 0.012 0.000 0.919 68 Q CA -0.034 55.780 55.803 0.018 0.000 0.932 68 Q CB 0.487 29.246 28.738 0.035 0.000 1.058 68 Q HN 0.430 nan 8.270 nan 0.000 0.517 69 V N 1.227 121.149 119.914 0.013 0.000 3.061 69 V HA -0.152 3.968 4.120 0.000 0.000 0.306 69 V C 0.941 177.031 176.094 -0.006 0.000 1.118 69 V CA 0.839 63.141 62.300 0.004 0.000 1.231 69 V CB 0.848 32.670 31.823 -0.000 0.000 0.956 69 V HN 0.344 nan 8.190 nan 0.000 0.499 70 R N 2.660 123.155 120.500 -0.008 0.000 2.282 70 R HA 0.263 4.603 4.340 0.000 0.000 0.195 70 R C 0.006 176.300 176.300 -0.009 0.000 0.909 70 R CA 0.162 56.258 56.100 -0.006 0.000 1.039 70 R CB 0.399 30.698 30.300 -0.002 0.000 1.015 70 R HN 0.729 nan 8.270 nan 0.000 0.513 71 Q N 0.735 120.522 119.800 -0.022 0.000 2.309 71 Q HA 0.303 4.643 4.340 0.000 0.000 0.273 71 Q C -1.286 174.679 176.000 -0.058 0.000 1.040 71 Q CA -0.677 55.106 55.803 -0.032 0.000 0.834 71 Q CB 3.343 32.062 28.738 -0.033 0.000 1.345 71 Q HN -0.019 nan 8.270 nan 0.000 0.414 72 V N -0.610 119.265 119.914 -0.065 0.000 2.304 72 V HA 0.464 4.584 4.120 0.000 0.000 0.278 72 V C -2.447 173.578 176.094 -0.114 0.000 1.018 72 V CA -2.184 60.057 62.300 -0.099 0.000 0.814 72 V CB 0.764 32.535 31.823 -0.087 0.000 1.021 72 V HN 0.614 nan 8.190 nan 0.000 0.440 73 P HA 0.254 nan 4.420 nan 0.000 0.249 73 P C -0.064 177.149 177.300 -0.145 0.000 1.737 73 P CA 0.158 63.178 63.100 -0.133 0.000 1.128 73 P CB 0.378 31.995 31.700 -0.138 0.000 1.942 74 L N 2.084 123.220 121.223 -0.146 0.000 3.073 74 L HA 0.193 4.533 4.340 0.000 0.000 0.242 74 L C 1.570 178.337 176.870 -0.171 0.000 1.317 74 L CA -0.074 54.672 54.840 -0.157 0.000 1.081 74 L CB -0.031 41.931 42.059 -0.161 0.000 1.456 74 L HN 0.082 nan 8.230 nan 0.000 0.525 75 Q N -0.162 119.547 119.800 -0.152 0.000 2.364 75 Q HA -0.052 4.288 4.340 0.000 0.000 0.207 75 Q C 1.810 177.725 176.000 -0.142 0.000 0.970 75 Q CA 1.122 56.830 55.803 -0.159 0.000 0.888 75 Q CB 0.062 28.729 28.738 -0.119 0.000 0.951 75 Q HN 0.351 nan 8.270 nan 0.000 0.469 76 R N -0.390 120.040 120.500 -0.117 0.000 2.317 76 R HA 0.111 4.451 4.340 0.000 0.000 0.208 76 R C -0.301 175.941 176.300 -0.097 0.000 0.914 76 R CA -0.253 55.791 56.100 -0.093 0.000 1.060 76 R CB 0.136 30.395 30.300 -0.068 0.000 1.015 76 R HN 0.121 nan 8.270 nan 0.000 0.498 77 L N 1.770 122.919 121.223 -0.124 0.000 2.456 77 L HA 0.037 4.377 4.340 0.000 0.000 0.277 77 L C 0.923 177.730 176.870 -0.105 0.000 1.124 77 L CA 0.610 55.382 54.840 -0.113 0.000 0.880 77 L CB 0.498 42.478 42.059 -0.132 0.000 1.192 77 L HN -0.088 nan 8.230 nan 0.000 0.463 78 R N 4.433 124.891 120.500 -0.070 0.000 2.140 78 R HA 0.371 4.711 4.340 0.000 0.000 0.213 78 R C -0.026 176.259 176.300 -0.025 0.000 1.059 78 R CA 0.605 56.676 56.100 -0.049 0.000 1.000 78 R CB 0.329 30.609 30.300 -0.034 0.000 0.910 78 R HN 0.667 nan 8.270 nan 0.000 0.455 79 I N 0.434 120.991 120.570 -0.022 0.000 2.702 79 I HA 0.176 4.346 4.170 0.000 0.000 0.287 79 I C -1.709 174.408 176.117 0.001 0.000 1.342 79 I CA -0.805 60.496 61.300 0.002 0.000 1.063 79 I CB 1.821 39.816 38.000 -0.008 0.000 1.331 79 I HN -0.293 nan 8.210 nan 0.000 0.427 80 V N 8.223 128.158 119.914 0.035 0.000 2.394 80 V HA 0.450 4.570 4.120 0.000 0.000 0.282 80 V C 0.976 177.093 176.094 0.039 0.000 1.031 80 V CA -0.319 62.005 62.300 0.039 0.000 0.881 80 V CB 1.528 33.400 31.823 0.082 0.000 0.982 80 V HN 0.783 nan 8.190 nan 0.000 0.451 81 R N 3.071 123.576 120.500 0.009 0.000 2.140 81 R HA 0.221 4.561 4.340 0.000 0.000 0.213 81 R C 1.523 177.826 176.300 0.005 0.000 1.059 81 R CA 0.731 56.822 56.100 -0.015 0.000 1.000 81 R CB 0.178 30.446 30.300 -0.053 0.000 0.910 81 R HN 1.062 nan 8.270 nan 0.000 0.455 82 G N 0.811 109.637 108.800 0.043 0.000 2.182 82 G HA2 -0.270 3.690 3.960 0.000 0.000 0.248 82 G HA3 -0.270 3.690 3.960 0.000 0.000 0.248 82 G C 0.667 175.596 174.900 0.048 0.000 1.042 82 G CA 0.631 45.772 45.100 0.069 0.000 0.775 82 G HN 0.283 nan 8.290 nan 0.000 0.501 83 T N -0.209 114.368 114.554 0.038 0.000 2.684 83 T HA -0.032 4.318 4.350 0.000 0.000 0.267 83 T C 1.461 176.199 174.700 0.063 0.000 1.036 83 T CA 2.090 64.209 62.100 0.032 0.000 1.148 83 T CB -0.028 68.852 68.868 0.019 0.000 0.863 83 T HN 0.755 nan 8.240 nan 0.000 0.436 84 Q N -0.399 119.474 119.800 0.121 0.000 2.306 84 Q HA 0.770 5.110 4.340 0.000 0.000 0.269 84 Q C -1.107 175.050 176.000 0.261 0.000 1.053 84 Q CA -0.705 55.206 55.803 0.180 0.000 0.879 84 Q CB 1.929 30.820 28.738 0.256 0.000 1.344 84 Q HN 0.243 nan 8.270 nan 0.000 0.464 85 L N 0.843 122.163 121.223 0.160 0.000 2.455 85 L HA 0.434 4.774 4.340 0.000 0.000 0.264 85 L C -1.021 175.675 176.870 -0.290 0.000 0.968 85 L CA -0.902 53.952 54.840 0.023 0.000 0.827 85 L CB 1.558 43.593 42.059 -0.039 0.000 1.317 85 L HN 0.562 nan 8.230 nan 0.000 0.407 86 F N 2.798 122.273 119.950 -0.792 0.000 2.602 86 F HA 0.012 4.540 4.527 0.000 0.000 0.385 86 F C 1.204 176.876 175.800 -0.213 0.000 1.063 86 F CA 0.484 58.057 58.000 -0.712 0.000 1.233 86 F CB 0.099 38.757 39.000 -0.569 0.000 1.067 86 F HN 0.688 nan 8.300 nan 0.000 0.564 87 E N 3.304 123.059 120.200 -0.742 0.000 2.539 87 E HA -0.336 4.014 4.350 0.000 0.000 0.253 87 E C -0.340 176.107 176.600 -0.254 0.000 1.145 87 E CA 0.848 56.983 56.400 -0.441 0.000 0.738 87 E CB -1.260 28.263 29.700 -0.295 0.000 1.308 87 E HN 0.765 nan 8.360 nan 0.000 0.409 88 D N -0.911 119.348 120.400 -0.235 0.000 2.686 88 D HA -0.237 4.403 4.640 0.000 0.000 0.235 88 D C 0.455 176.610 176.300 -0.241 0.000 1.160 88 D CA 1.187 55.077 54.000 -0.183 0.000 0.645 88 D CB -0.871 39.843 40.800 -0.143 0.000 1.039 88 D HN 0.530 nan 8.370 nan 0.000 0.423 89 N N -1.534 116.967 118.700 -0.332 0.000 2.143 89 N HA -0.056 4.684 4.740 0.000 0.000 0.294 89 N C -0.332 174.808 175.510 -0.616 0.000 0.929 89 N CA 0.073 52.771 53.050 -0.586 0.000 0.723 89 N CB 0.720 38.630 38.487 -0.962 0.000 1.981 89 N HN 0.125 nan 8.380 nan 0.000 0.854 90 Y N 0.876 121.164 120.300 -0.021 0.000 2.341 90 Y HA 0.587 5.137 4.550 -0.000 0.000 0.337 90 Y C 1.111 177.042 175.900 0.051 0.000 1.014 90 Y CA -0.554 57.552 58.100 0.010 0.000 1.111 90 Y CB 1.785 40.271 38.460 0.043 0.000 1.194 90 Y HN 0.002 nan 8.280 nan 0.000 0.462 91 A N 2.555 125.506 122.820 0.218 0.000 1.975 91 A HA 0.129 4.449 4.320 0.000 0.000 0.215 91 A C -0.023 177.706 177.584 0.243 0.000 1.170 91 A CA 0.756 52.931 52.037 0.230 0.000 0.656 91 A CB 0.210 19.319 19.000 0.182 0.000 0.821 91 A HN 0.516 nan 8.150 nan 0.000 0.449 92 L N -0.495 120.845 121.223 0.194 0.000 2.376 92 L HA 0.743 5.083 4.340 0.000 0.000 0.275 92 L C -0.645 176.230 176.870 0.009 0.000 0.987 92 L CA -0.717 54.190 54.840 0.112 0.000 0.828 92 L CB 1.404 43.527 42.059 0.106 0.000 1.249 92 L HN 0.169 nan 8.230 nan 0.000 0.409 93 A N 5.091 127.866 122.820 -0.075 0.000 2.357 93 A HA 0.757 5.078 4.320 0.000 0.000 0.295 93 A C -1.509 175.934 177.584 -0.236 0.000 1.121 93 A CA -0.479 51.407 52.037 -0.251 0.000 0.742 93 A CB 1.309 20.016 19.000 -0.488 0.000 1.181 93 A HN 0.420 nan 8.150 nan 0.000 0.454 94 V N 4.322 124.118 119.914 -0.198 0.000 2.350 94 V HA 0.525 4.645 4.120 0.000 0.000 0.285 94 V C -0.463 175.523 176.094 -0.180 0.000 1.014 94 V CA -0.127 62.081 62.300 -0.153 0.000 0.831 94 V CB 0.766 32.546 31.823 -0.073 0.000 1.000 94 V HN 0.765 nan 8.190 nan 0.000 0.433 95 L N 3.683 124.780 121.223 -0.210 0.000 2.431 95 L HA 0.618 4.958 4.340 0.000 0.000 0.266 95 L C -0.289 176.399 176.870 -0.303 0.000 0.978 95 L CA -0.831 53.869 54.840 -0.233 0.000 0.822 95 L CB 2.179 44.095 42.059 -0.239 0.000 1.310 95 L HN 0.530 nan 8.230 nan 0.000 0.409 96 D N 1.548 121.775 120.400 -0.289 0.000 2.689 96 D HA -0.178 4.462 4.640 0.000 0.000 0.237 96 D C -0.420 175.678 176.300 -0.336 0.000 1.148 96 D CA 0.797 54.572 54.000 -0.375 0.000 0.656 96 D CB -0.840 39.527 40.800 -0.722 0.000 1.050 96 D HN 0.545 nan 8.370 nan 0.000 0.426 97 N N 0.826 119.406 118.700 -0.200 0.000 2.678 97 N HA 0.508 5.248 4.740 0.000 0.000 0.231 97 N C 0.692 176.151 175.510 -0.085 0.000 1.038 97 N CA 0.204 53.173 53.050 -0.135 0.000 0.932 97 N CB 1.652 40.076 38.487 -0.105 0.000 1.176 97 N HN 0.416 nan 8.380 nan 0.000 0.511 98 G N 0.956 109.716 108.800 -0.067 0.000 2.358 98 G HA2 -0.023 3.937 3.960 0.000 0.000 0.301 98 G HA3 -0.023 3.937 3.960 0.000 0.000 0.301 98 G C -1.714 173.175 174.900 -0.019 0.000 1.539 98 G CA -0.855 44.222 45.100 -0.038 0.000 0.893 98 G HN 0.158 nan 8.290 nan 0.000 0.636 99 D N 1.364 121.761 120.400 -0.005 0.000 2.414 99 D HA 0.458 5.098 4.640 0.000 0.000 0.242 99 D C -1.099 175.209 176.300 0.014 0.000 1.129 99 D CA -0.109 53.897 54.000 0.011 0.000 0.885 99 D CB 0.752 41.558 40.800 0.011 0.000 1.198 99 D HN 0.310 nan 8.370 nan 0.000 0.437 112 P HA 0.877 nan 4.420 nan 0.000 0.336 112 P C 0.365 177.664 177.300 -0.002 0.000 1.288 112 P CA -0.560 62.539 63.100 -0.002 0.000 0.766 112 P CB 0.279 31.976 31.700 -0.006 0.000 1.461 113 G N -3.101 105.698 108.800 -0.001 0.000 2.552 113 G HA2 0.623 4.583 3.960 0.000 0.000 0.324 113 G HA3 0.623 4.583 3.960 0.000 0.000 0.324 113 G C -0.490 174.406 174.900 -0.007 0.000 1.217 113 G CA -0.480 44.620 45.100 -0.000 0.000 0.989 113 G HN 0.882 nan 8.290 nan 0.000 0.490 114 G N -1.753 107.042 108.800 -0.008 0.000 2.539 114 G HA2 0.312 4.272 3.960 0.000 0.000 0.686 114 G HA3 0.312 4.272 3.960 0.000 0.000 0.686 114 G C -0.777 174.114 174.900 -0.015 0.000 1.258 114 G CA -0.378 44.711 45.100 -0.018 0.000 0.846 114 G HN 1.413 nan 8.290 nan 0.000 0.647 115 L N 0.962 122.174 121.223 -0.019 0.000 2.513 115 L HA 0.466 4.807 4.340 0.000 0.000 0.272 115 L C 1.819 178.693 176.870 0.008 0.000 1.187 115 L CA 0.611 55.448 54.840 -0.005 0.000 0.895 115 L CB 0.405 42.458 42.059 -0.009 0.000 1.147 115 L HN 0.672 nan 8.230 nan 0.000 0.483 116 R N 3.039 123.554 120.500 0.025 0.000 2.146 116 R HA 0.237 4.577 4.340 0.000 0.000 0.206 116 R C -0.428 175.934 176.300 0.104 0.000 1.049 116 R CA 0.390 56.515 56.100 0.041 0.000 1.029 116 R CB 0.304 30.629 30.300 0.041 0.000 0.949 116 R HN 0.643 nan 8.270 nan 0.000 0.471 117 E N 0.502 120.775 120.200 0.122 0.000 2.291 117 E HA 0.155 4.505 4.350 0.000 0.000 0.276 117 E C -0.015 176.678 176.600 0.155 0.000 0.896 117 E CA -0.268 56.249 56.400 0.196 0.000 0.774 117 E CB 2.399 32.209 29.700 0.182 0.000 1.227 117 E HN -0.077 nan 8.360 nan 0.000 0.413 118 L N 1.567 122.928 121.223 0.230 0.000 2.083 118 L HA -0.199 4.141 4.340 0.000 0.000 0.209 118 L C 0.965 177.880 176.870 0.075 0.000 1.083 118 L CA 1.433 56.392 54.840 0.198 0.000 0.752 118 L CB -0.277 42.016 42.059 0.391 0.000 0.899 118 L HN 0.739 nan 8.230 nan 0.000 0.433 119 Q N -0.971 118.907 119.800 0.131 0.000 2.481 119 Q HA -0.230 4.110 4.340 0.000 0.000 0.258 119 Q C 0.181 175.992 176.000 -0.316 0.000 0.961 119 Q CA 0.323 56.110 55.803 -0.027 0.000 1.121 119 Q CB -1.928 26.786 28.738 -0.040 0.000 1.503 119 Q HN 0.477 nan 8.270 nan 0.000 0.544 120 L N 1.756 122.540 121.223 -0.731 0.000 2.672 120 L HA 0.067 4.407 4.340 0.000 0.000 0.238 120 L C 2.018 178.074 176.870 -1.356 0.000 1.392 120 L CA 0.020 54.242 54.840 -1.031 0.000 1.238 120 L CB -0.394 40.986 42.059 -1.132 0.000 1.548 120 L HN 0.226 nan 8.230 nan 0.000 0.423 121 R N -1.898 118.135 120.500 -0.779 0.000 2.280 121 R HA -0.019 4.321 4.340 0.000 0.000 0.207 121 R C 1.058 177.222 176.300 -0.225 0.000 1.043 121 R CA 0.772 56.615 56.100 -0.428 0.000 1.006 121 R CB -0.249 29.985 30.300 -0.110 0.000 0.885 121 R HN 0.267 nan 8.270 nan 0.000 0.467 122 S N 0.959 116.510 115.700 -0.248 0.000 2.556 122 S HA 0.098 4.568 4.470 0.000 0.000 0.216 122 S C 0.319 174.838 174.600 -0.136 0.000 0.970 122 S CA -0.502 57.612 58.200 -0.143 0.000 0.912 122 S CB 0.095 63.224 63.200 -0.118 0.000 0.790 122 S HN 0.160 nan 8.310 nan 0.000 0.504 123 L N 3.050 124.134 121.223 -0.232 0.000 2.536 123 L HA 0.269 4.609 4.340 0.000 0.000 0.282 123 L C 0.758 177.621 176.870 -0.012 0.000 1.147 123 L CA 0.851 55.602 54.840 -0.149 0.000 0.936 123 L CB -0.438 41.465 42.059 -0.261 0.000 1.279 123 L HN -0.060 nan 8.230 nan 0.000 0.461 124 T N 2.273 116.837 114.554 0.016 0.000 2.990 124 T HA 0.176 4.526 4.350 0.000 0.000 0.250 124 T C -0.077 174.672 174.700 0.082 0.000 1.041 124 T CA 0.228 62.357 62.100 0.049 0.000 1.010 124 T CB 0.257 69.142 68.868 0.027 0.000 1.003 124 T HN 0.493 nan 8.240 nan 0.000 0.499 125 E N 0.996 121.254 120.200 0.097 0.000 2.281 125 E HA 0.458 4.808 4.350 0.000 0.000 0.266 125 E C -1.597 175.105 176.600 0.169 0.000 0.893 125 E CA -0.358 56.123 56.400 0.135 0.000 0.798 125 E CB 0.819 30.577 29.700 0.097 0.000 1.245 125 E HN 0.172 nan 8.360 nan 0.000 0.410 126 I N 6.800 127.525 120.570 0.259 0.000 2.405 126 I HA 0.188 4.358 4.170 0.000 0.000 0.280 126 I C 0.907 177.150 176.117 0.210 0.000 1.027 126 I CA -0.394 61.064 61.300 0.264 0.000 1.161 126 I CB 1.043 39.304 38.000 0.434 0.000 1.300 126 I HN 0.615 nan 8.210 nan 0.000 0.463 127 L N 4.935 126.215 121.223 0.095 0.000 2.275 127 L HA 0.029 4.369 4.340 0.000 0.000 0.215 127 L C 0.744 177.591 176.870 -0.039 0.000 1.119 127 L CA 1.404 56.238 54.840 -0.011 0.000 0.790 127 L CB -0.207 41.783 42.059 -0.115 0.000 0.919 127 L HN 0.529 nan 8.230 nan 0.000 0.443 128 K N -1.304 119.087 120.400 -0.014 0.000 2.569 128 K HA 0.476 4.796 4.320 0.000 0.000 0.259 128 K C -0.575 175.991 176.600 -0.057 0.000 0.932 128 K CA 0.025 56.280 56.287 -0.053 0.000 0.833 128 K CB 2.246 34.716 32.500 -0.050 0.000 1.340 128 K HN 0.030 nan 8.250 nan 0.000 0.429 129 G N 0.743 109.462 108.800 -0.134 0.000 2.712 129 G HA2 0.079 4.039 3.960 0.000 0.000 0.683 129 G HA3 0.079 4.039 3.960 0.000 0.000 0.683 129 G C -0.243 174.514 174.900 -0.238 0.000 1.320 129 G CA -0.464 44.544 45.100 -0.154 0.000 0.847 129 G HN 0.877 nan 8.290 nan 0.000 0.553 130 G N -2.034 106.673 108.800 -0.154 0.000 3.257 130 G HA2 0.875 4.835 3.960 0.000 0.000 0.205 130 G HA3 0.875 4.835 3.960 0.000 0.000 0.205 130 G C -0.989 174.061 174.900 0.250 0.000 1.234 130 G CA 0.200 45.267 45.100 -0.055 0.000 0.918 130 G HN 1.667 nan 8.290 nan 0.000 0.602 131 V N 0.285 120.351 119.914 0.253 0.000 2.577 131 V HA 0.591 4.711 4.120 0.000 0.000 0.303 131 V C -1.182 174.810 176.094 -0.170 0.000 1.042 131 V CA -0.523 61.758 62.300 -0.031 0.000 0.872 131 V CB 1.522 33.039 31.823 -0.510 0.000 0.998 131 V HN 0.632 nan 8.190 nan 0.000 0.423 132 L N 6.511 127.494 121.223 -0.401 0.000 2.356 132 L HA 0.748 5.088 4.340 0.000 0.000 0.277 132 L C -0.996 175.665 176.870 -0.350 0.000 0.996 132 L CA 0.044 54.532 54.840 -0.585 0.000 0.822 132 L CB 1.435 42.811 42.059 -1.138 0.000 1.256 132 L HN 0.602 nan 8.230 nan 0.000 0.413 133 I N 5.280 125.699 120.570 -0.251 0.000 2.529 133 I HA 0.428 4.598 4.170 0.000 0.000 0.284 133 I C -1.103 174.936 176.117 -0.130 0.000 1.088 133 I CA -0.529 60.674 61.300 -0.161 0.000 1.062 133 I CB 1.605 39.548 38.000 -0.095 0.000 1.218 133 I HN 0.510 nan 8.210 nan 0.000 0.442 134 Q N 5.299 125.020 119.800 -0.131 0.000 2.359 134 Q HA 0.507 4.848 4.340 0.000 0.000 0.274 134 Q C -0.507 175.429 176.000 -0.105 0.000 1.074 134 Q CA -0.921 54.818 55.803 -0.108 0.000 0.810 134 Q CB 3.013 31.685 28.738 -0.111 0.000 1.342 134 Q HN 0.528 nan 8.270 nan 0.000 0.427 135 R N 1.394 121.844 120.500 -0.083 0.000 3.264 135 R HA -0.137 4.203 4.340 0.000 0.000 0.251 135 R C -0.683 175.561 176.300 -0.093 0.000 0.971 135 R CA 0.269 56.320 56.100 -0.082 0.000 0.658 135 R CB -1.248 29.000 30.300 -0.087 0.000 1.095 135 R HN 0.487 nan 8.270 nan 0.000 0.443 136 N N 0.351 119.006 118.700 -0.075 0.000 2.898 136 N HA 0.151 4.891 4.740 0.000 0.000 0.245 136 N C -1.955 173.524 175.510 -0.053 0.000 1.185 136 N CA -1.593 51.417 53.050 -0.067 0.000 0.879 136 N CB 1.516 39.969 38.487 -0.056 0.000 1.157 136 N HN -0.013 nan 8.380 nan 0.000 0.503 137 P HA -0.157 nan 4.420 nan 0.000 0.217 137 P C 0.813 178.085 177.300 -0.047 0.000 1.151 137 P CA 1.518 64.591 63.100 -0.045 0.000 0.849 137 P CB 0.460 32.137 31.700 -0.038 0.000 0.787 138 Q N -1.659 118.115 119.800 -0.044 0.000 2.198 138 Q HA 0.181 4.521 4.340 0.000 0.000 0.209 138 Q C 0.267 176.239 176.000 -0.046 0.000 0.848 138 Q CA -0.361 55.414 55.803 -0.046 0.000 0.974 138 Q CB 0.098 28.817 28.738 -0.033 0.000 1.115 138 Q HN 0.263 nan 8.270 nan 0.000 0.494 139 L N 0.784 121.982 121.223 -0.042 0.000 2.331 139 L HA 0.182 4.522 4.340 0.000 0.000 0.278 139 L C -0.529 176.296 176.870 -0.075 0.000 1.106 139 L CA 0.128 54.954 54.840 -0.023 0.000 0.824 139 L CB 0.800 42.859 42.059 0.000 0.000 1.142 139 L HN 0.052 nan 8.230 nan 0.000 0.443 140 c N 2.754 121.297 118.600 -0.096 0.000 2.668 140 c HA 0.482 5.052 4.570 0.000 0.000 0.355 140 c C 0.345 174.340 174.090 -0.158 0.000 1.277 140 c CA -0.371 55.751 56.329 -0.344 0.000 1.787 140 c CB 1.030 43.025 42.510 -0.858 0.000 2.233 140 c HN 0.969 nan 8.230 nan 0.000 0.495 141 Y N -1.105 119.179 120.300 -0.027 0.000 4.784 141 Y HA -0.351 4.199 4.550 0.000 0.000 0.278 141 Y C 2.250 178.092 175.900 -0.096 0.000 0.980 141 Y CA 1.254 59.314 58.100 -0.067 0.000 1.845 141 Y CB -1.418 37.005 38.460 -0.062 0.000 1.177 141 Y HN 0.816 nan 8.280 nan 0.000 0.460 142 Q N 1.971 121.824 119.800 0.088 0.000 2.119 142 Q HA -0.178 4.162 4.340 0.000 0.000 0.201 142 Q C 1.213 177.283 176.000 0.117 0.000 0.972 142 Q CA 2.097 57.980 55.803 0.133 0.000 0.847 142 Q CB -0.552 28.306 28.738 0.199 0.000 0.903 142 Q HN 0.706 nan 8.270 nan 0.000 0.433 143 D N 0.664 121.097 120.400 0.054 0.000 2.392 143 D HA -0.078 4.562 4.640 0.000 0.000 0.228 143 D C 0.762 177.053 176.300 -0.016 0.000 1.003 143 D CA 1.082 55.107 54.000 0.043 0.000 0.917 143 D CB -0.339 40.464 40.800 0.006 0.000 0.890 143 D HN 0.260 nan 8.370 nan 0.000 0.532 144 T N -0.223 114.277 114.554 -0.091 0.000 3.037 144 T HA 0.162 4.512 4.350 0.000 0.000 0.251 144 T C 0.902 175.415 174.700 -0.312 0.000 1.079 144 T CA -0.344 61.660 62.100 -0.161 0.000 1.067 144 T CB 0.601 69.384 68.868 -0.142 0.000 0.948 144 T HN 0.103 nan 8.240 nan 0.000 0.496 145 I N 2.413 122.688 120.570 -0.491 0.000 2.428 145 I HA 0.250 4.420 4.170 0.000 0.000 0.289 145 I C -0.082 175.599 176.117 -0.726 0.000 1.019 145 I CA -1.170 59.599 61.300 -0.887 0.000 1.351 145 I CB 1.077 38.079 38.000 -1.663 0.000 1.412 145 I HN 0.104 nan 8.210 nan 0.000 0.513 146 L N 7.386 128.271 121.223 -0.563 0.000 2.375 146 L HA 0.158 4.498 4.340 0.000 0.000 0.276 146 L C 0.275 176.916 176.870 -0.382 0.000 1.162 146 L CA 0.198 54.836 54.840 -0.337 0.000 0.991 146 L CB -0.166 41.765 42.059 -0.213 0.000 1.315 146 L HN 0.523 nan 8.230 nan 0.000 0.431 147 W N 2.211 123.360 121.300 -0.253 0.000 2.363 147 W HA -0.160 4.500 4.660 0.000 0.000 0.296 147 W C 2.003 178.095 176.519 -0.712 0.000 1.212 147 W CA 0.795 57.855 57.345 -0.476 0.000 1.260 147 W CB -0.073 29.102 29.460 -0.475 0.000 1.131 147 W HN 0.444 nan 8.180 nan 0.000 0.530 148 K N 0.021 120.324 120.400 -0.160 0.000 2.360 148 K HA -0.202 4.118 4.320 0.000 0.000 0.201 148 K C 1.580 178.171 176.600 -0.016 0.000 1.046 148 K CA 1.377 57.648 56.287 -0.027 0.000 0.945 148 K CB -0.336 32.219 32.500 0.092 0.000 0.750 148 K HN 0.218 nan 8.250 nan 0.000 0.464 149 D N 0.875 121.229 120.400 -0.077 0.000 2.194 149 D HA -0.083 4.558 4.640 0.000 0.000 0.204 149 D C 1.691 177.987 176.300 -0.007 0.000 0.964 149 D CA 0.805 54.781 54.000 -0.040 0.000 0.846 149 D CB 0.266 41.026 40.800 -0.068 0.000 0.962 149 D HN 0.190 nan 8.370 nan 0.000 0.490 150 I N 0.230 120.772 120.570 -0.045 0.000 2.400 150 I HA -0.109 4.061 4.170 0.000 0.000 0.248 150 I C 0.499 176.744 176.117 0.213 0.000 1.109 150 I CA -0.017 61.318 61.300 0.060 0.000 1.425 150 I CB -0.232 37.822 38.000 0.092 0.000 1.094 150 I HN -0.175 nan 8.210 nan 0.000 0.425 151 F N 2.068 122.132 119.950 0.191 0.000 2.607 151 F HA 0.020 4.547 4.527 0.000 0.000 0.374 151 F C 1.303 177.190 175.800 0.145 0.000 1.104 151 F CA -0.374 57.729 58.000 0.171 0.000 1.296 151 F CB -0.745 38.350 39.000 0.158 0.000 1.085 151 F HN 0.085 nan 8.300 nan 0.000 0.584 152 H N 3.304 122.523 119.070 0.249 0.000 2.895 152 H HA -0.041 4.515 4.556 -0.000 0.000 0.371 152 H C 1.374 176.776 175.328 0.123 0.000 1.219 152 H CA 0.592 56.721 56.048 0.135 0.000 1.431 152 H CB 0.699 30.506 29.762 0.077 0.000 1.414 152 H HN 0.723 nan 8.280 nan 0.000 0.617 153 K N 1.555 121.722 120.400 -0.388 0.000 2.074 153 K HA -0.169 4.151 4.320 0.000 0.000 0.209 153 K C 0.951 177.611 176.600 0.100 0.000 1.048 153 K CA 1.752 57.960 56.287 -0.130 0.000 0.926 153 K CB 0.077 32.441 32.500 -0.226 0.000 0.713 153 K HN 0.542 nan 8.250 nan 0.000 0.444 154 N N 0.890 119.792 118.700 0.337 0.000 2.434 154 N HA -0.071 4.669 4.740 0.000 0.000 0.196 154 N C 0.265 175.853 175.510 0.130 0.000 1.183 154 N CA 0.476 53.659 53.050 0.223 0.000 0.849 154 N CB 0.299 38.914 38.487 0.213 0.000 0.992 154 N HN 0.221 nan 8.380 nan 0.000 0.460 155 N N 0.101 118.882 118.700 0.136 0.000 2.241 155 N HA 0.075 4.815 4.740 0.000 0.000 0.238 155 N C 0.981 176.475 175.510 -0.026 0.000 1.244 155 N CA -0.060 52.994 53.050 0.006 0.000 0.880 155 N CB 0.328 38.814 38.487 -0.003 0.000 1.179 155 N HN -0.104 nan 8.380 nan 0.000 0.513 156 Q N 0.165 120.018 119.800 0.089 0.000 2.181 156 Q HA 0.013 4.353 4.340 0.000 0.000 0.205 156 Q C 0.975 177.038 176.000 0.105 0.000 0.980 156 Q CA 0.964 56.864 55.803 0.161 0.000 0.862 156 Q CB 0.061 28.878 28.738 0.130 0.000 0.905 156 Q HN 0.499 nan 8.270 nan 0.000 0.429 157 L N 0.778 122.011 121.223 0.016 0.000 2.645 157 L HA 0.208 4.548 4.340 0.000 0.000 0.234 157 L C 0.644 177.462 176.870 -0.086 0.000 1.165 157 L CA -0.571 54.264 54.840 -0.007 0.000 0.944 157 L CB -0.434 41.621 42.059 -0.007 0.000 1.149 157 L HN -0.082 nan 8.230 nan 0.000 0.446 158 A N 0.599 123.283 122.820 -0.226 0.000 2.531 158 A HA 0.261 4.581 4.320 0.000 0.000 0.236 158 A C 0.113 177.592 177.584 -0.176 0.000 1.062 158 A CA -0.342 51.474 52.037 -0.368 0.000 0.760 158 A CB 0.072 18.518 19.000 -0.924 0.000 0.995 158 A HN 0.201 nan 8.150 nan 0.000 0.501 159 L N 1.710 122.856 121.223 -0.128 0.000 2.456 159 L HA 0.335 4.675 4.340 0.000 0.000 0.272 159 L C 1.158 178.100 176.870 0.120 0.000 1.189 159 L CA 1.052 55.897 54.840 0.008 0.000 0.846 159 L CB 0.687 42.750 42.059 0.007 0.000 1.111 159 L HN 0.793 nan 8.230 nan 0.000 0.475 160 T N 1.462 116.093 114.554 0.129 0.000 2.930 160 T HA 0.528 4.878 4.350 0.000 0.000 0.313 160 T C -0.841 173.876 174.700 0.028 0.000 1.019 160 T CA -0.638 61.505 62.100 0.071 0.000 1.004 160 T CB 0.830 69.720 68.868 0.037 0.000 0.987 160 T HN 0.265 nan 8.240 nan 0.000 0.456 161 L N 5.317 126.540 121.223 -0.001 0.000 2.313 161 L HA 0.651 4.991 4.340 0.000 0.000 0.273 161 L C -1.166 175.648 176.870 -0.095 0.000 1.028 161 L CA -1.319 53.505 54.840 -0.027 0.000 0.871 161 L CB 0.190 42.250 42.059 0.002 0.000 1.242 161 L HN 0.766 nan 8.230 nan 0.000 0.434 162 I N 3.592 124.122 120.570 -0.067 0.000 2.410 162 I HA 0.291 4.461 4.170 0.000 0.000 0.286 162 I C -0.798 175.298 176.117 -0.035 0.000 1.009 162 I CA -0.755 60.505 61.300 -0.067 0.000 1.111 162 I CB 1.988 39.960 38.000 -0.047 0.000 1.262 162 I HN 0.442 nan 8.210 nan 0.000 0.443 163 D N 4.223 124.597 120.400 -0.043 0.000 2.232 163 D HA 0.228 4.868 4.640 0.000 0.000 0.242 163 D C 0.706 176.990 176.300 -0.027 0.000 1.093 163 D CA -0.310 53.670 54.000 -0.034 0.000 0.845 163 D CB 1.461 42.234 40.800 -0.045 0.000 1.124 163 D HN 0.604 nan 8.370 nan 0.000 0.467 164 T N 0.172 114.712 114.554 -0.023 0.000 3.134 164 T HA 0.183 4.533 4.350 0.000 0.000 0.260 164 T C 0.406 175.083 174.700 -0.037 0.000 1.027 164 T CA -0.744 61.339 62.100 -0.027 0.000 0.913 164 T CB -0.368 68.487 68.868 -0.023 0.000 1.046 164 T HN 0.220 nan 8.240 nan 0.000 0.553 165 N N 3.706 122.385 118.700 -0.035 0.000 2.434 165 N HA 0.159 4.899 4.740 0.000 0.000 0.268 165 N C 0.108 175.591 175.510 -0.045 0.000 1.256 165 N CA 0.319 53.347 53.050 -0.037 0.000 0.914 165 N CB 0.626 39.094 38.487 -0.032 0.000 1.088 165 N HN 0.601 nan 8.380 nan 0.000 0.478 166 R N 0.398 120.868 120.500 -0.050 0.000 2.919 166 R HA 0.502 4.842 4.340 0.000 0.000 0.260 166 R C 0.060 176.329 176.300 -0.051 0.000 1.067 166 R CA -0.872 55.193 56.100 -0.058 0.000 1.003 166 R CB 0.923 31.175 30.300 -0.080 0.000 1.192 166 R HN 0.249 nan 8.270 nan 0.000 0.488 167 S N 0.107 115.776 115.700 -0.051 0.000 2.602 167 S HA 0.152 4.622 4.470 0.000 0.000 0.240 167 S C -0.302 174.268 174.600 -0.050 0.000 0.992 167 S CA -0.563 57.611 58.200 -0.044 0.000 0.971 167 S CB -0.148 63.031 63.200 -0.035 0.000 0.855 167 S HN 0.554 nan 8.310 nan 0.000 0.481 168 R N -0.388 120.072 120.500 -0.067 0.000 2.733 168 R HA 0.822 5.162 4.340 0.000 0.000 0.272 168 R C -1.275 174.964 176.300 -0.102 0.000 1.029 168 R CA -1.039 55.014 56.100 -0.078 0.000 0.888 168 R CB 0.518 30.768 30.300 -0.084 0.000 1.251 168 R HN -0.005 nan 8.270 nan 0.000 0.464 169 A N 0.695 123.452 122.820 -0.105 0.000 2.316 169 A HA 0.597 4.917 4.320 0.000 0.000 0.284 169 A C -0.467 177.003 177.584 -0.191 0.000 1.115 169 A CA -0.654 51.313 52.037 -0.116 0.000 0.812 169 A CB 0.514 19.472 19.000 -0.071 0.000 1.064 169 A HN 0.716 nan 8.150 nan 0.000 0.489 170 c N 1.402 119.882 118.600 -0.200 0.000 2.329 170 c HA 0.490 5.060 4.570 0.000 0.000 0.329 170 c C 0.377 174.412 174.090 -0.092 0.000 1.275 170 c CA -0.547 55.614 56.329 -0.279 0.000 1.726 170 c CB -0.658 41.560 42.510 -0.487 0.000 2.291 170 c HN 0.952 nan 8.230 nan 0.000 0.514 171 H N 3.076 122.174 119.070 0.046 0.000 2.897 171 H HA 0.174 4.730 4.556 0.000 0.000 0.347 171 H C -1.662 173.772 175.328 0.177 0.000 1.068 171 H CA -0.740 55.367 56.048 0.098 0.000 1.426 171 H CB 0.284 30.112 29.762 0.111 0.000 1.410 171 H HN 0.528 nan 8.280 nan 0.000 0.597 172 P HA -0.064 nan 4.420 nan 0.000 0.271 172 P C -0.072 177.347 177.300 0.197 0.000 1.244 172 P CA -0.383 62.830 63.100 0.189 0.000 0.793 172 P CB 0.592 32.347 31.700 0.093 0.000 0.984 173 c N 0.500 119.178 118.600 0.131 0.000 2.702 173 c HA 0.093 4.663 4.570 0.000 0.000 0.411 173 c C 1.746 175.827 174.090 -0.015 0.000 1.286 173 c CA 0.093 56.419 56.329 -0.005 0.000 1.979 173 c CB -0.765 41.717 42.510 -0.047 0.000 2.728 173 c HN 0.690 nan 8.230 nan 0.000 0.652 174 S N 3.926 119.594 115.700 -0.053 0.000 2.558 174 S HA 0.029 4.500 4.470 0.000 0.000 0.291 174 S C -0.789 173.792 174.600 -0.032 0.000 1.306 174 S CA -0.546 57.630 58.200 -0.039 0.000 1.056 174 S CB 0.509 63.679 63.200 -0.050 0.000 0.836 174 S HN 0.693 nan 8.310 nan 0.000 0.504 175 P HA -0.122 nan 4.420 nan 0.000 0.228 175 P C 1.356 178.640 177.300 -0.027 0.000 1.151 175 P CA 0.864 63.950 63.100 -0.023 0.000 0.770 175 P CB -0.069 31.619 31.700 -0.020 0.000 0.786 176 M N -0.516 119.066 119.600 -0.030 0.000 2.279 176 M HA -0.074 4.407 4.480 0.000 0.000 0.264 176 M C 0.203 176.482 176.300 -0.035 0.000 1.062 176 M CA 1.195 56.477 55.300 -0.030 0.000 1.099 176 M CB -0.401 32.181 32.600 -0.030 0.000 1.394 176 M HN -0.195 nan 8.290 nan 0.000 0.426 177 c N 2.443 121.018 118.600 -0.042 0.000 2.492 177 c HA 0.093 4.663 4.570 0.000 0.000 0.362 177 c C 1.683 175.744 174.090 -0.048 0.000 1.207 177 c CA -0.685 55.613 56.329 -0.052 0.000 1.626 177 c CB -1.194 41.274 42.510 -0.069 0.000 2.239 177 c HN 0.681 nan 8.230 nan 0.000 0.547 178 K N 3.055 123.428 120.400 -0.044 0.000 2.032 178 K HA -0.281 4.040 4.320 0.000 0.000 0.225 178 K C 1.496 178.068 176.600 -0.046 0.000 0.881 178 K CA 2.574 58.836 56.287 -0.042 0.000 1.002 178 K CB -0.605 31.869 32.500 -0.044 0.000 0.748 178 K HN 0.801 nan 8.250 nan 0.000 0.569 179 G N -0.914 107.850 108.800 -0.060 0.000 3.523 179 G HA2 0.196 4.156 3.960 0.000 0.000 0.270 179 G HA3 0.196 4.156 3.960 0.000 0.000 0.270 179 G C -0.249 174.610 174.900 -0.069 0.000 1.134 179 G CA 0.469 45.532 45.100 -0.062 0.000 0.825 179 G HN 0.675 nan 8.290 nan 0.000 0.534 180 S N -0.658 115.003 115.700 -0.066 0.000 3.614 180 S HA -0.223 4.247 4.470 0.000 0.000 0.360 180 S C 0.243 174.785 174.600 -0.096 0.000 1.023 180 S CA 0.718 58.880 58.200 -0.064 0.000 1.114 180 S CB -1.851 61.326 63.200 -0.038 0.000 0.907 180 S HN 0.694 nan 8.310 nan 0.000 0.470 181 R N 0.548 120.963 120.500 -0.142 0.000 2.310 181 R HA 0.692 5.032 4.340 0.000 0.000 0.324 181 R C 0.206 176.328 176.300 -0.296 0.000 0.955 181 R CA -0.030 55.931 56.100 -0.232 0.000 0.830 181 R CB 1.311 31.456 30.300 -0.259 0.000 1.154 181 R HN 0.729 nan 8.270 nan 0.000 0.458 182 c N -0.251 118.130 118.600 -0.365 0.000 3.318 182 c HA 0.585 5.155 4.570 0.000 0.000 0.322 182 c C -0.409 173.380 174.090 -0.502 0.000 1.398 182 c CA -1.049 55.039 56.329 -0.401 0.000 1.339 182 c CB 0.770 43.114 42.510 -0.278 0.000 1.668 182 c HN 1.092 nan 8.230 nan 0.000 0.462 183 W N 1.240 122.421 121.300 -0.198 0.000 3.123 183 W HA 0.565 5.225 4.660 -0.000 0.000 0.383 183 W C 1.044 177.441 176.519 -0.203 0.000 1.102 183 W CA 0.483 57.746 57.345 -0.137 0.000 1.865 183 W CB 0.777 30.169 29.460 -0.113 0.000 1.111 183 W HN 1.379 nan 8.180 nan 0.000 0.621 184 G N 0.597 109.165 108.800 -0.385 0.000 2.340 184 G HA2 -0.028 3.932 3.960 0.000 0.000 0.300 184 G HA3 -0.028 3.932 3.960 0.000 0.000 0.300 184 G C 0.125 174.605 174.900 -0.700 0.000 1.488 184 G CA -0.293 44.490 45.100 -0.528 0.000 0.878 184 G HN 0.143 nan 8.290 nan 0.000 0.618 185 E N -0.222 119.696 120.200 -0.470 0.000 2.358 185 E HA 0.108 4.458 4.350 0.000 0.000 0.195 185 E C 1.311 177.838 176.600 -0.121 0.000 1.010 185 E CA 0.844 57.100 56.400 -0.240 0.000 0.856 185 E CB 0.168 29.910 29.700 0.069 0.000 0.795 185 E HN 0.440 nan 8.360 nan 0.000 0.504 186 S N 0.608 116.247 115.700 -0.103 0.000 2.596 186 S HA 0.017 4.488 4.470 0.000 0.000 0.260 186 S C 1.146 175.707 174.600 -0.066 0.000 1.336 186 S CA 0.154 58.317 58.200 -0.061 0.000 0.993 186 S CB 1.209 64.383 63.200 -0.044 0.000 0.923 186 S HN 0.392 nan 8.310 nan 0.000 0.567 187 S N 0.838 116.511 115.700 -0.045 0.000 2.558 187 S HA 0.172 4.642 4.470 0.000 0.000 0.217 187 S C 0.817 175.397 174.600 -0.032 0.000 0.975 187 S CA 0.129 58.304 58.200 -0.040 0.000 0.912 187 S CB -0.315 62.866 63.200 -0.032 0.000 0.776 187 S HN 0.784 nan 8.310 nan 0.000 0.526 188 E N 0.720 120.903 120.200 -0.029 0.000 2.465 188 E HA 0.112 4.462 4.350 0.000 0.000 0.191 188 E C 0.034 176.631 176.600 -0.004 0.000 1.053 188 E CA 0.001 56.389 56.400 -0.020 0.000 0.869 188 E CB 0.164 29.850 29.700 -0.024 0.000 0.977 188 E HN 0.460 nan 8.360 nan 0.000 0.483 189 D N 0.203 120.599 120.400 -0.007 0.000 2.402 189 D HA 0.059 4.699 4.640 0.000 0.000 0.216 189 D C -0.263 176.070 176.300 0.056 0.000 1.128 189 D CA -0.015 54.012 54.000 0.045 0.000 0.833 189 D CB 0.161 40.949 40.800 -0.020 0.000 0.971 189 D HN 0.108 nan 8.370 nan 0.000 0.503 190 c N 1.798 120.401 118.600 0.005 0.000 2.629 190 c HA 0.119 4.689 4.570 0.000 0.000 0.410 190 c C 1.094 175.197 174.090 0.021 0.000 1.339 190 c CA -0.854 55.453 56.329 -0.035 0.000 1.810 190 c CB -0.527 41.956 42.510 -0.044 0.000 2.549 190 c HN 0.299 nan 8.230 nan 0.000 0.589 191 Q N 2.815 122.568 119.800 -0.078 0.000 2.262 191 Q HA 0.116 4.456 4.340 0.000 0.000 0.298 191 Q C 0.367 176.363 176.000 -0.007 0.000 1.083 191 Q CA 0.281 56.068 55.803 -0.027 0.000 0.962 191 Q CB 0.571 29.147 28.738 -0.270 0.000 1.104 191 Q HN 0.937 nan 8.270 nan 0.000 0.376 192 S N 4.724 120.452 115.700 0.047 0.000 2.499 192 S HA 0.484 4.954 4.470 0.000 0.000 0.279 192 S C -0.226 174.374 174.600 -0.000 0.000 1.219 192 S CA -0.911 57.295 58.200 0.011 0.000 1.062 192 S CB 0.797 64.007 63.200 0.016 0.000 0.978 192 S HN 0.592 nan 8.310 nan 0.000 0.489 193 L N 3.301 124.512 121.223 -0.021 0.000 2.309 193 L HA 0.480 4.820 4.340 0.000 0.000 0.282 193 L C 0.968 177.830 176.870 -0.013 0.000 1.036 193 L CA -0.579 54.245 54.840 -0.027 0.000 0.806 193 L CB 1.764 43.797 42.059 -0.043 0.000 1.220 193 L HN 1.042 nan 8.230 nan 0.000 0.429 194 T N -2.385 112.166 114.554 -0.006 0.000 3.058 194 T HA 0.219 4.569 4.350 0.000 0.000 0.278 194 T C 1.072 175.772 174.700 -0.001 0.000 0.974 194 T CA -0.355 61.746 62.100 0.001 0.000 0.893 194 T CB 0.504 69.379 68.868 0.012 0.000 1.138 194 T HN 0.592 nan 8.240 nan 0.000 0.529 195 R N 0.886 121.382 120.500 -0.007 0.000 2.622 195 R HA 0.103 4.443 4.340 0.000 0.000 0.180 195 R C 2.096 178.388 176.300 -0.013 0.000 0.813 195 R CA 1.096 57.190 56.100 -0.011 0.000 1.049 195 R CB -0.004 30.291 30.300 -0.009 0.000 1.438 195 R HN 0.358 nan 8.270 nan 0.000 0.636 196 T N -1.754 112.792 114.554 -0.014 0.000 3.085 196 T HA 0.027 4.377 4.350 0.000 0.000 0.263 196 T C 1.139 175.830 174.700 -0.015 0.000 1.127 196 T CA 0.497 62.589 62.100 -0.014 0.000 1.103 196 T CB 0.570 69.427 68.868 -0.019 0.000 0.921 196 T HN 0.026 nan 8.240 nan 0.000 0.510 197 V N 1.124 121.029 119.914 -0.016 0.000 2.982 197 V HA 0.388 4.508 4.120 0.000 0.000 0.368 197 V C -0.345 175.742 176.094 -0.011 0.000 1.350 197 V CA -0.874 61.417 62.300 -0.015 0.000 1.251 197 V CB -1.163 30.648 31.823 -0.019 0.000 1.284 197 V HN 0.628 nan 8.190 nan 0.000 0.533 198 c N 1.522 120.116 118.600 -0.009 0.000 2.435 198 c HA 0.830 5.400 4.570 0.000 0.000 0.333 198 c C 0.789 174.875 174.090 -0.007 0.000 1.202 198 c CA -0.912 55.413 56.329 -0.007 0.000 1.830 198 c CB 1.130 43.636 42.510 -0.007 0.000 2.326 198 c HN 0.618 nan 8.230 nan 0.000 0.507 199 A N 2.541 125.358 122.820 -0.005 0.000 2.362 199 A HA 0.668 4.988 4.320 0.000 0.000 0.276 199 A C 0.781 178.362 177.584 -0.005 0.000 1.153 199 A CA 0.876 52.910 52.037 -0.005 0.000 0.813 199 A CB -0.626 18.371 19.000 -0.004 0.000 1.081 199 A HN 2.292 nan 8.150 nan 0.000 0.507 200 G N 1.754 110.551 108.800 -0.005 0.000 2.584 200 G HA2 0.157 4.117 3.960 0.000 0.000 0.229 200 G HA3 0.157 4.117 3.960 0.000 0.000 0.229 200 G C 0.728 175.625 174.900 -0.005 0.000 1.320 200 G CA 0.037 45.135 45.100 -0.005 0.000 0.891 200 G HN 1.890 nan 8.290 nan 0.000 0.573 201 G N -0.691 108.106 108.800 -0.005 0.000 3.474 201 G HA2 0.387 4.347 3.960 0.000 0.000 0.269 201 G HA3 0.387 4.347 3.960 0.000 0.000 0.269 201 G C 0.582 175.476 174.900 -0.009 0.000 1.339 201 G CA 0.813 45.910 45.100 -0.005 0.000 1.258 201 G HN 0.962 nan 8.290 nan 0.000 0.560 202 c N 0.764 119.358 118.600 -0.010 0.000 2.585 202 c HA 0.458 5.028 4.570 0.000 0.000 0.406 202 c C 2.115 176.195 174.090 -0.017 0.000 1.312 202 c CA 0.172 56.495 56.329 -0.010 0.000 1.924 202 c CB 0.444 42.951 42.510 -0.006 0.000 2.578 202 c HN 0.647 nan 8.230 nan 0.000 0.580 203 A N 5.045 127.854 122.820 -0.019 0.000 1.855 203 A HA 0.041 4.361 4.320 0.000 0.000 0.215 203 A C 1.030 178.595 177.584 -0.033 0.000 1.191 203 A CA 1.424 53.434 52.037 -0.045 0.000 0.613 203 A CB 0.058 19.038 19.000 -0.033 0.000 0.829 203 A HN 0.793 nan 8.150 nan 0.000 0.442 204 R N -1.278 119.221 120.500 -0.002 0.000 2.564 204 R HA 0.460 4.800 4.340 0.000 0.000 0.284 204 R C -1.099 175.211 176.300 0.015 0.000 1.031 204 R CA -0.112 55.994 56.100 0.010 0.000 0.904 204 R CB 0.874 31.190 30.300 0.027 0.000 1.199 204 R HN 0.638 nan 8.270 nan 0.000 0.443 205 c N 0.019 118.625 118.600 0.010 0.000 2.971 205 c HA 0.598 5.168 4.570 0.000 0.000 0.310 205 c C 1.078 175.174 174.090 0.010 0.000 1.285 205 c CA -0.954 55.382 56.329 0.011 0.000 1.593 205 c CB 2.148 44.661 42.510 0.004 0.000 2.076 205 c HN 0.946 nan 8.230 nan 0.000 0.472 206 K N 0.929 121.335 120.400 0.010 0.000 2.372 206 K HA 0.570 4.890 4.320 0.000 0.000 0.200 206 K C 0.525 177.126 176.600 0.002 0.000 1.022 206 K CA 0.627 56.918 56.287 0.007 0.000 1.125 206 K CB 0.304 32.809 32.500 0.009 0.000 0.855 206 K HN 1.353 nan 8.250 nan 0.000 0.524 207 G N 1.287 110.087 108.800 0.000 0.000 2.342 207 G HA2 0.146 4.106 3.960 0.000 0.000 0.297 207 G HA3 0.146 4.106 3.960 0.000 0.000 0.297 207 G C -2.793 172.105 174.900 -0.004 0.000 1.313 207 G CA -0.869 44.229 45.100 -0.003 0.000 0.830 207 G HN -0.184 nan 8.290 nan 0.000 0.506 208 P HA 0.151 nan 4.420 nan 0.000 0.224 208 P C 0.913 178.210 177.300 -0.005 0.000 1.157 208 P CA 0.254 63.350 63.100 -0.007 0.000 0.799 208 P CB 0.417 32.112 31.700 -0.008 0.000 0.809 209 L N 1.819 123.040 121.223 -0.004 0.000 2.472 209 L HA 0.144 4.484 4.340 0.000 0.000 0.260 209 L C -0.971 175.898 176.870 -0.002 0.000 1.209 209 L CA -1.249 53.589 54.840 -0.003 0.000 0.817 209 L CB -0.257 41.800 42.059 -0.002 0.000 1.106 209 L HN -0.114 nan 8.230 nan 0.000 0.479 210 P HA -0.031 nan 4.420 nan 0.000 0.241 210 P C 0.721 178.020 177.300 -0.002 0.000 1.191 210 P CA 0.715 63.813 63.100 -0.003 0.000 0.771 210 P CB 0.037 31.735 31.700 -0.004 0.000 0.929 211 T N -5.691 108.863 114.554 -0.001 0.000 3.069 211 T HA 0.130 4.480 4.350 0.000 0.000 0.252 211 T C 1.168 175.870 174.700 0.004 0.000 1.053 211 T CA -0.054 62.046 62.100 0.001 0.000 0.964 211 T CB -0.313 68.555 68.868 0.000 0.000 1.005 211 T HN -0.128 nan 8.240 nan 0.000 0.532 212 D N 1.144 121.547 120.400 0.004 0.000 2.106 212 D HA 0.053 4.693 4.640 0.000 0.000 0.203 212 D C 0.936 177.244 176.300 0.012 0.000 0.977 212 D CA 0.150 54.154 54.000 0.007 0.000 0.844 212 D CB -0.661 40.142 40.800 0.004 0.000 1.002 212 D HN 0.354 nan 8.370 nan 0.000 0.461 213 c N 1.858 120.464 118.600 0.010 0.000 1.080 213 c HA -0.192 4.378 4.570 0.000 0.000 0.499 213 c C 1.061 175.168 174.090 0.028 0.000 1.360 213 c CA -0.632 55.705 56.329 0.013 0.000 1.836 213 c CB -1.364 41.149 42.510 0.005 0.000 3.287 213 c HN 0.361 nan 8.230 nan 0.000 0.549 214 c N 6.162 124.786 118.600 0.040 0.000 2.463 214 c HA 0.245 4.815 4.570 0.000 0.000 0.380 214 c C 1.001 175.152 174.090 0.101 0.000 1.264 214 c CA -0.524 55.851 56.329 0.075 0.000 2.161 214 c CB -0.103 42.452 42.510 0.075 0.000 2.515 214 c HN 0.907 nan 8.230 nan 0.000 0.565 215 H N 2.872 121.962 119.070 0.033 0.000 3.169 215 H HA -0.107 4.449 4.556 0.000 0.000 0.331 215 H C 1.387 176.753 175.328 0.063 0.000 1.054 215 H CA 1.557 57.634 56.048 0.047 0.000 1.321 215 H CB 0.662 30.465 29.762 0.069 0.000 1.223 215 H HN 0.883 nan 8.280 nan 0.000 0.601 216 E N 3.002 123.182 120.200 -0.032 0.000 2.427 216 E HA -0.131 4.219 4.350 0.000 0.000 0.196 216 E C 0.530 177.287 176.600 0.262 0.000 1.028 216 E CA 0.675 57.131 56.400 0.093 0.000 0.864 216 E CB 0.191 29.891 29.700 -0.000 0.000 0.813 216 E HN 0.613 nan 8.360 nan 0.000 0.514 217 Q N 0.225 120.326 119.800 0.500 0.000 2.319 217 Q HA 0.128 4.468 4.340 0.000 0.000 0.202 217 Q C 0.619 176.731 176.000 0.186 0.000 0.896 217 Q CA 0.081 56.083 55.803 0.331 0.000 0.942 217 Q CB 0.330 29.249 28.738 0.302 0.000 1.083 217 Q HN 0.270 nan 8.270 nan 0.000 0.510 218 c N -0.101 118.607 118.600 0.180 0.000 2.563 218 c HA 0.521 5.091 4.570 0.000 0.000 0.358 218 c C 1.668 175.805 174.090 0.079 0.000 1.336 218 c CA 0.041 56.430 56.329 0.100 0.000 2.454 218 c CB 0.858 43.427 42.510 0.098 0.000 2.448 218 c HN 0.496 nan 8.230 nan 0.000 0.670 219 A N -0.191 122.658 122.820 0.049 0.000 2.242 219 A HA 0.594 4.914 4.320 0.000 0.000 0.205 219 A C 1.311 178.931 177.584 0.061 0.000 1.353 219 A CA 0.823 52.890 52.037 0.050 0.000 1.005 219 A CB -0.226 18.770 19.000 -0.006 0.000 1.127 219 A HN 1.053 nan 8.150 nan 0.000 0.498 220 A N -1.241 121.604 122.820 0.042 0.000 2.551 220 A HA 0.593 4.913 4.320 0.000 0.000 0.252 220 A C 0.955 178.558 177.584 0.032 0.000 1.199 220 A CA 1.019 53.080 52.037 0.040 0.000 0.972 220 A CB 0.173 19.188 19.000 0.024 0.000 1.153 220 A HN 1.989 nan 8.150 nan 0.000 0.559 221 G N -1.401 107.419 108.800 0.033 0.000 2.346 221 G HA2 0.434 4.394 3.960 0.000 0.000 0.294 221 G HA3 0.434 4.394 3.960 0.000 0.000 0.294 221 G C -0.639 174.279 174.900 0.030 0.000 1.294 221 G CA 0.061 45.178 45.100 0.028 0.000 0.962 221 G HN 1.831 nan 8.290 nan 0.000 0.508 222 c N -2.734 115.882 118.600 0.026 0.000 3.312 222 c HA 0.828 5.398 4.570 0.000 0.000 0.332 222 c C 1.047 175.149 174.090 0.019 0.000 1.340 222 c CA 0.322 56.668 56.329 0.028 0.000 1.265 222 c CB 1.125 43.660 42.510 0.042 0.000 1.563 222 c HN 1.979 nan 8.230 nan 0.000 0.471 223 T N -1.575 112.990 114.554 0.017 0.000 3.186 223 T HA 0.595 4.945 4.350 0.000 0.000 0.257 223 T C 0.607 175.316 174.700 0.015 0.000 1.029 223 T CA 0.612 62.720 62.100 0.013 0.000 0.916 223 T CB -0.479 68.394 68.868 0.009 0.000 1.041 223 T HN 2.344 nan 8.240 nan 0.000 0.562 224 G N 1.721 110.534 108.800 0.022 0.000 2.315 224 G HA2 0.433 4.393 3.960 0.000 0.000 0.294 224 G HA3 0.433 4.393 3.960 0.000 0.000 0.294 224 G C -2.794 172.128 174.900 0.036 0.000 1.300 224 G CA -0.580 44.533 45.100 0.023 0.000 0.843 224 G HN -0.151 nan 8.290 nan 0.000 0.527 225 P HA 0.180 nan 4.420 nan 0.000 0.245 225 P C 0.446 177.799 177.300 0.087 0.000 1.203 225 P CA 0.413 63.544 63.100 0.052 0.000 0.792 225 P CB 0.486 32.204 31.700 0.029 0.000 0.997 226 K N 0.060 120.492 120.400 0.053 0.000 2.117 226 K HA 0.111 4.431 4.320 0.000 0.000 0.240 226 K C 1.574 178.176 176.600 0.004 0.000 1.031 226 K CA -0.353 55.943 56.287 0.014 0.000 0.909 226 K CB 0.119 32.602 32.500 -0.028 0.000 1.097 226 K HN 0.246 nan 8.250 nan 0.000 0.492 227 H N -1.343 117.590 119.070 -0.228 0.000 2.556 227 H HA 0.036 4.592 4.556 0.000 0.000 0.268 227 H C 0.663 175.877 175.328 -0.191 0.000 0.996 227 H CA 0.519 56.287 56.048 -0.466 0.000 1.157 227 H CB 0.212 29.475 29.762 -0.832 0.000 1.355 227 H HN 0.448 nan 8.280 nan 0.000 0.597 228 S N -0.228 115.566 115.700 0.158 0.000 2.540 228 S HA 0.030 4.501 4.470 0.000 0.000 0.218 228 S C 0.387 175.009 174.600 0.037 0.000 0.977 228 S CA -0.412 57.833 58.200 0.075 0.000 0.918 228 S CB 0.319 63.571 63.200 0.088 0.000 0.806 228 S HN 0.256 nan 8.310 nan 0.000 0.496 229 D N 1.337 121.758 120.400 0.036 0.000 2.402 229 D HA 0.276 4.917 4.640 0.000 0.000 0.216 229 D C -0.206 176.111 176.300 0.028 0.000 1.128 229 D CA -0.220 53.797 54.000 0.028 0.000 0.833 229 D CB 0.190 41.008 40.800 0.030 0.000 0.971 229 D HN 0.363 nan 8.370 nan 0.000 0.503 230 c N 0.962 119.578 118.600 0.027 0.000 2.601 230 c HA 0.206 4.776 4.570 0.000 0.000 0.409 230 c C 2.366 176.465 174.090 0.016 0.000 1.293 230 c CA -0.613 55.732 56.329 0.028 0.000 2.101 230 c CB 0.413 42.939 42.510 0.026 0.000 2.639 230 c HN 0.304 nan 8.230 nan 0.000 0.592 231 L N 1.760 122.992 121.223 0.016 0.000 2.217 231 L HA 0.097 4.437 4.340 0.000 0.000 0.211 231 L C 1.148 178.017 176.870 -0.001 0.000 1.107 231 L CA 1.024 55.868 54.840 0.006 0.000 0.783 231 L CB -0.396 41.666 42.059 0.005 0.000 0.919 231 L HN 0.883 nan 8.230 nan 0.000 0.442 232 A N -1.758 121.063 122.820 0.002 0.000 2.604 232 A HA 0.477 4.797 4.320 0.000 0.000 0.295 232 A C -1.228 176.351 177.584 -0.009 0.000 1.067 232 A CA -0.650 51.381 52.037 -0.010 0.000 0.683 232 A CB 0.917 19.907 19.000 -0.016 0.000 1.281 232 A HN -0.012 nan 8.150 nan 0.000 0.407 233 c N 1.583 120.168 118.600 -0.025 0.000 2.435 233 c HA 0.369 4.939 4.570 0.000 0.000 0.375 233 c C 1.950 175.991 174.090 -0.082 0.000 1.281 233 c CA -0.055 56.259 56.329 -0.026 0.000 1.963 233 c CB 0.217 42.719 42.510 -0.014 0.000 2.490 233 c HN 0.913 nan 8.230 nan 0.000 0.557 234 L N 2.269 123.437 121.223 -0.092 0.000 2.291 234 L HA -0.007 4.333 4.340 0.000 0.000 0.214 234 L C 1.328 177.875 176.870 -0.539 0.000 1.120 234 L CA 2.089 56.769 54.840 -0.267 0.000 0.799 234 L CB -0.606 41.314 42.059 -0.232 0.000 0.925 234 L HN 0.891 nan 8.230 nan 0.000 0.446 235 H N -3.539 115.450 119.070 -0.135 0.000 2.984 235 H HA 0.364 4.920 4.556 -0.000 0.000 0.137 235 H C -0.746 174.181 175.328 -0.669 0.000 1.110 235 H CA -0.125 55.722 56.048 -0.335 0.000 1.070 235 H CB 0.369 30.118 29.762 -0.021 0.000 1.019 235 H HN -0.046 nan 8.280 nan 0.000 0.291 236 F N 0.751 120.788 119.950 0.145 0.000 2.576 236 F HA 0.337 4.864 4.527 0.000 0.000 0.313 236 F C -0.364 175.459 175.800 0.039 0.000 1.078 236 F CA -1.097 56.943 58.000 0.065 0.000 0.921 236 F CB 1.436 40.465 39.000 0.050 0.000 1.232 236 F HN 0.072 nan 8.300 nan 0.000 0.459 237 N N 1.640 120.464 118.700 0.207 0.000 2.457 237 N HA 0.069 4.809 4.740 0.000 0.000 0.250 237 N C -1.290 174.331 175.510 0.185 0.000 0.982 237 N CA -0.155 52.974 53.050 0.131 0.000 0.941 237 N CB 0.347 38.877 38.487 0.073 0.000 1.120 237 N HN 0.771 nan 8.380 nan 0.000 0.505 238 H N 2.980 122.058 119.070 0.013 0.000 2.572 238 H HA 0.149 4.705 4.556 0.000 0.000 0.248 238 H C -0.473 174.841 175.328 -0.024 0.000 1.397 238 H CA -0.322 55.722 56.048 -0.006 0.000 1.319 238 H CB -0.019 29.717 29.762 -0.044 0.000 1.452 238 H HN 0.592 nan 8.280 nan 0.000 0.535 239 S N 3.095 118.834 115.700 0.065 0.000 3.524 239 S HA -0.225 4.245 4.470 0.000 0.000 0.377 239 S C 1.357 175.916 174.600 -0.068 0.000 0.949 239 S CA 0.932 59.117 58.200 -0.025 0.000 1.264 239 S CB -1.530 61.618 63.200 -0.086 0.000 0.918 239 S HN 1.221 nan 8.310 nan 0.000 0.517 240 G N -1.115 107.665 108.800 -0.034 0.000 2.234 240 G HA2 -0.266 3.694 3.960 0.000 0.000 0.235 240 G HA3 -0.266 3.694 3.960 0.000 0.000 0.235 240 G C -0.112 174.747 174.900 -0.069 0.000 0.997 240 G CA 0.025 45.101 45.100 -0.041 0.000 0.623 240 G HN 0.697 nan 8.290 nan 0.000 0.514 241 I N 1.897 122.392 120.570 -0.126 0.000 2.339 241 I HA 0.461 4.631 4.170 0.000 0.000 0.290 241 I C 0.739 176.756 176.117 -0.167 0.000 0.994 241 I CA -0.875 60.276 61.300 -0.249 0.000 1.191 241 I CB 1.454 39.187 38.000 -0.445 0.000 1.343 241 I HN 0.187 nan 8.210 nan 0.000 0.458 242 c N 5.774 124.282 118.600 -0.153 0.000 2.576 242 c HA 0.411 4.981 4.570 0.000 0.000 0.401 242 c C 0.534 174.603 174.090 -0.035 0.000 1.314 242 c CA -0.473 55.830 56.329 -0.044 0.000 1.855 242 c CB -1.238 41.268 42.510 -0.006 0.000 2.537 242 c HN 0.688 nan 8.230 nan 0.000 0.578 243 E N 0.784 121.029 120.200 0.076 0.000 2.393 243 E HA 0.242 4.592 4.350 0.000 0.000 0.273 243 E C 0.112 176.813 176.600 0.168 0.000 0.918 243 E CA -0.830 55.608 56.400 0.063 0.000 0.773 243 E CB 1.539 31.223 29.700 -0.028 0.000 1.275 243 E HN 0.423 nan 8.360 nan 0.000 0.451 244 L N 1.527 122.770 121.223 0.034 0.000 2.156 244 L HA 0.008 4.348 4.340 0.000 0.000 0.208 244 L C 0.307 177.264 176.870 0.145 0.000 1.095 244 L CA 1.940 56.788 54.840 0.014 0.000 0.770 244 L CB -0.327 41.711 42.059 -0.035 0.000 0.914 244 L HN 0.635 nan 8.230 nan 0.000 0.439 245 H N -5.212 113.879 119.070 0.036 0.000 2.990 245 H HA 0.518 5.074 4.556 0.000 0.000 0.336 245 H C -0.635 174.491 175.328 -0.337 0.000 1.306 245 H CA -1.391 54.517 56.048 -0.234 0.000 1.118 245 H CB 0.126 29.778 29.762 -0.185 0.000 1.856 245 H HN -0.120 nan 8.280 nan 0.000 0.538 246 c N 1.443 119.795 118.600 -0.414 0.000 2.403 246 c HA 0.447 5.017 4.570 0.000 0.000 0.361 246 c C -2.018 171.967 174.090 -0.174 0.000 1.274 246 c CA -0.825 55.276 56.329 -0.380 0.000 2.433 246 c CB 0.129 42.386 42.510 -0.421 0.000 2.323 246 c HN 0.684 nan 8.230 nan 0.000 0.614 247 P HA 0.284 nan 4.420 nan 0.000 0.276 247 P C -0.586 176.629 177.300 -0.142 0.000 1.235 247 P CA 0.281 63.297 63.100 -0.141 0.000 0.772 247 P CB 0.264 31.862 31.700 -0.170 0.000 0.871 248 A N 3.497 126.259 122.820 -0.097 0.000 2.520 248 A HA 0.022 4.342 4.320 0.000 0.000 0.235 248 A C 1.408 178.887 177.584 -0.175 0.000 1.065 248 A CA 0.026 51.979 52.037 -0.139 0.000 0.764 248 A CB -0.469 18.467 19.000 -0.108 0.000 1.002 248 A HN 0.661 nan 8.150 nan 0.000 0.502 249 L N 1.552 122.642 121.223 -0.223 0.000 2.275 249 L HA -0.025 4.315 4.340 0.000 0.000 0.215 249 L C -0.014 176.741 176.870 -0.191 0.000 1.119 249 L CA 0.553 55.250 54.840 -0.239 0.000 0.790 249 L CB -0.402 41.470 42.059 -0.311 0.000 0.919 249 L HN 0.467 nan 8.230 nan 0.000 0.443 250 V N -1.049 118.739 119.914 -0.210 0.000 2.735 250 V HA 0.421 4.541 4.120 0.000 0.000 0.310 250 V C -0.097 175.782 176.094 -0.358 0.000 1.061 250 V CA -0.665 61.469 62.300 -0.277 0.000 0.913 250 V CB 1.999 33.632 31.823 -0.317 0.000 1.005 250 V HN 0.184 nan 8.190 nan 0.000 0.428 251 T N 0.478 114.811 114.554 -0.368 0.000 2.924 251 T HA 0.756 5.106 4.350 0.000 0.000 0.291 251 T C -1.157 173.276 174.700 -0.445 0.000 1.045 251 T CA -0.687 61.208 62.100 -0.341 0.000 1.015 251 T CB 1.533 70.311 68.868 -0.149 0.000 1.103 251 T HN 0.329 nan 8.240 nan 0.000 0.496 252 Y N 1.038 121.301 120.300 -0.062 0.000 2.341 252 Y HA 0.379 4.929 4.550 0.000 0.000 0.337 252 Y C 1.119 176.845 175.900 -0.289 0.000 1.014 252 Y CA -1.052 56.980 58.100 -0.114 0.000 1.111 252 Y CB 1.123 39.584 38.460 0.003 0.000 1.194 252 Y HN 0.695 nan 8.280 nan 0.000 0.462 253 N N 1.667 120.288 118.700 -0.131 0.000 2.411 253 N HA -0.096 4.644 4.740 0.000 0.000 0.261 253 N C 0.747 175.964 175.510 -0.488 0.000 1.248 253 N CA 0.546 53.468 53.050 -0.214 0.000 0.885 253 N CB 0.989 39.410 38.487 -0.109 0.000 1.062 253 N HN 0.831 nan 8.380 nan 0.000 0.471 254 T N 3.205 117.543 114.554 -0.360 0.000 2.803 254 T HA -0.145 4.205 4.350 0.000 0.000 0.269 254 T C 0.602 175.118 174.700 -0.307 0.000 1.052 254 T CA 1.576 63.447 62.100 -0.382 0.000 1.136 254 T CB -0.016 68.754 68.868 -0.163 0.000 0.864 254 T HN 0.617 nan 8.240 nan 0.000 0.467 255 D N -0.075 120.224 120.400 -0.170 0.000 2.290 255 D HA 0.007 4.647 4.640 0.000 0.000 0.224 255 D C 2.458 178.805 176.300 0.078 0.000 0.967 255 D CA 1.309 55.299 54.000 -0.016 0.000 0.893 255 D CB 0.030 40.830 40.800 -0.000 0.000 1.037 255 D HN 0.425 nan 8.370 nan 0.000 0.477 256 T N -2.660 111.916 114.554 0.036 0.000 3.044 256 T HA 0.047 4.397 4.350 0.000 0.000 0.255 256 T C 0.671 175.538 174.700 0.278 0.000 1.073 256 T CA -0.076 62.104 62.100 0.134 0.000 1.125 256 T CB -0.185 68.727 68.868 0.073 0.000 0.908 256 T HN 0.145 nan 8.240 nan 0.000 0.480 257 F N 1.336 121.326 119.950 0.067 0.000 2.965 257 F HA -0.148 4.379 4.527 0.000 0.000 0.287 257 F C 0.166 176.074 175.800 0.180 0.000 0.790 257 F CA 0.138 58.208 58.000 0.116 0.000 1.279 257 F CB -2.005 37.004 39.000 0.015 0.000 1.409 257 F HN 0.236 nan 8.300 nan 0.000 0.446 258 E N 0.175 120.492 120.200 0.196 0.000 2.398 258 E HA 0.233 4.583 4.350 0.000 0.000 0.263 258 E C 0.575 177.251 176.600 0.126 0.000 1.046 258 E CA -0.089 56.400 56.400 0.148 0.000 0.908 258 E CB 0.765 30.507 29.700 0.069 0.000 0.963 258 E HN 0.095 nan 8.360 nan 0.000 0.431 259 S N 1.758 117.508 115.700 0.083 0.000 2.549 259 S HA 0.191 4.661 4.470 0.000 0.000 0.283 259 S C 0.164 174.706 174.600 -0.096 0.000 1.320 259 S CA -0.011 58.142 58.200 -0.079 0.000 1.058 259 S CB 0.164 63.321 63.200 -0.071 0.000 0.882 259 S HN 0.279 nan 8.310 nan 0.000 0.498 260 M N 4.822 124.323 119.600 -0.165 0.000 2.190 260 M HA 0.346 4.826 4.480 0.000 0.000 0.312 260 M C -2.667 173.554 176.300 -0.131 0.000 0.990 260 M CA -2.157 53.073 55.300 -0.117 0.000 0.927 260 M CB 1.990 34.528 32.600 -0.104 0.000 1.571 260 M HN 0.242 nan 8.290 nan 0.000 0.427 261 P HA -0.017 nan 4.420 nan 0.000 0.264 261 P C -0.852 176.397 177.300 -0.084 0.000 1.229 261 P CA 0.010 63.057 63.100 -0.088 0.000 0.780 261 P CB 0.087 31.754 31.700 -0.055 0.000 0.808 262 N N 6.147 124.785 118.700 -0.104 0.000 2.431 262 N HA 0.038 4.778 4.740 0.000 0.000 0.265 262 N C -1.340 174.133 175.510 -0.061 0.000 1.184 262 N CA -1.874 51.125 53.050 -0.084 0.000 0.943 262 N CB 0.429 38.856 38.487 -0.100 0.000 1.080 262 N HN 0.230 nan 8.380 nan 0.000 0.477 263 P HA 0.035 nan 4.420 nan 0.000 0.236 263 P C -0.024 177.273 177.300 -0.005 0.000 1.177 263 P CA 0.690 63.779 63.100 -0.018 0.000 0.773 263 P CB 0.527 32.221 31.700 -0.010 0.000 0.878 264 E N 0.401 120.597 120.200 -0.006 0.000 2.368 264 E HA 0.190 4.540 4.350 0.000 0.000 0.188 264 E C 1.045 177.637 176.600 -0.013 0.000 1.061 264 E CA -0.108 56.304 56.400 0.020 0.000 0.933 264 E CB -0.165 29.561 29.700 0.043 0.000 1.091 264 E HN 0.184 nan 8.360 nan 0.000 0.458 265 G N 1.083 109.851 108.800 -0.054 0.000 2.467 265 G HA2 0.358 4.318 3.960 0.000 0.000 0.257 265 G HA3 0.358 4.318 3.960 0.000 0.000 0.257 265 G C 0.126 174.950 174.900 -0.127 0.000 1.227 265 G CA -0.386 44.641 45.100 -0.121 0.000 0.835 265 G HN -0.071 nan 8.290 nan 0.000 0.556 266 R N 0.295 120.675 120.500 -0.201 0.000 2.740 266 R HA 0.260 4.601 4.340 0.000 0.000 0.273 266 R C -1.529 174.642 176.300 -0.215 0.000 0.998 266 R CA -0.820 55.196 56.100 -0.140 0.000 0.900 266 R CB 1.598 31.818 30.300 -0.134 0.000 1.223 266 R HN 0.578 nan 8.270 nan 0.000 0.466 267 Y N 0.220 120.495 120.300 -0.042 0.000 2.335 267 Y HA 0.217 4.767 4.550 -0.000 0.000 0.323 267 Y C 1.185 177.086 175.900 0.001 0.000 1.224 267 Y CA -0.229 57.856 58.100 -0.024 0.000 1.241 267 Y CB 1.234 39.690 38.460 -0.007 0.000 1.235 267 Y HN 0.494 nan 8.280 nan 0.000 0.492 268 T N 0.352 115.009 114.554 0.171 0.000 2.794 268 T HA 0.399 4.749 4.350 0.000 0.000 0.296 268 T C -1.034 173.869 174.700 0.338 0.000 0.949 268 T CA -0.395 61.817 62.100 0.187 0.000 1.101 268 T CB 0.187 69.137 68.868 0.135 0.000 0.905 268 T HN 0.405 nan 8.240 nan 0.000 0.516 269 F N 3.305 123.340 119.950 0.143 0.000 2.577 269 F HA 0.581 5.108 4.527 0.000 0.000 0.344 269 F C 0.787 176.633 175.800 0.075 0.000 1.145 269 F CA -0.311 57.719 58.000 0.050 0.000 0.996 269 F CB 0.731 39.696 39.000 -0.058 0.000 1.248 269 F HN 1.128 nan 8.300 nan 0.000 0.447 270 G N 4.303 112.997 108.800 -0.178 0.000 2.634 270 G HA2 -0.200 3.760 3.960 0.000 0.000 0.318 270 G HA3 -0.200 3.760 3.960 0.000 0.000 0.318 270 G C 0.464 175.293 174.900 -0.117 0.000 1.207 270 G CA 0.439 45.385 45.100 -0.256 0.000 0.987 270 G HN 1.723 nan 8.290 nan 0.000 0.547 271 A N -0.048 122.659 122.820 -0.188 0.000 2.842 271 A HA 0.744 5.064 4.320 0.000 0.000 0.298 271 A C 0.556 178.147 177.584 0.012 0.000 1.293 271 A CA 1.298 53.204 52.037 -0.218 0.000 0.959 271 A CB -0.038 18.811 19.000 -0.252 0.000 1.119 271 A HN 1.324 nan 8.150 nan 0.000 0.564 272 S N -1.232 114.571 115.700 0.171 0.000 2.599 272 S HA 0.570 5.040 4.470 0.000 0.000 0.287 272 S C -0.634 174.142 174.600 0.293 0.000 1.105 272 S CA -0.478 57.850 58.200 0.214 0.000 0.899 272 S CB 1.472 64.748 63.200 0.126 0.000 1.100 272 S HN 0.426 nan 8.310 nan 0.000 0.482 273 c N 2.090 120.812 118.600 0.203 0.000 2.382 273 c HA 0.900 5.470 4.570 0.000 0.000 0.327 273 c C -0.154 174.024 174.090 0.146 0.000 1.250 273 c CA -0.535 55.860 56.329 0.109 0.000 1.707 273 c CB 0.339 42.823 42.510 -0.043 0.000 2.272 273 c HN 0.624 nan 8.230 nan 0.000 0.506 274 V N 2.386 122.392 119.914 0.153 0.000 2.971 274 V HA 0.441 4.561 4.120 0.000 0.000 0.309 274 V C 1.043 177.242 176.094 0.175 0.000 1.130 274 V CA -0.227 62.168 62.300 0.160 0.000 0.964 274 V CB 2.490 34.413 31.823 0.167 0.000 1.029 274 V HN 0.993 nan 8.190 nan 0.000 0.427 275 T N 0.177 114.815 114.554 0.141 0.000 3.067 275 T HA 0.408 4.758 4.350 0.000 0.000 0.261 275 T C 0.399 175.209 174.700 0.184 0.000 1.110 275 T CA 0.775 62.968 62.100 0.156 0.000 1.113 275 T CB 0.207 69.135 68.868 0.101 0.000 0.917 275 T HN 1.247 nan 8.240 nan 0.000 0.499 276 A N -0.209 122.656 122.820 0.075 0.000 2.520 276 A HA 0.607 4.927 4.320 0.000 0.000 0.298 276 A C -0.177 177.285 177.584 -0.202 0.000 1.051 276 A CA -0.954 51.031 52.037 -0.086 0.000 0.690 276 A CB 0.822 19.787 19.000 -0.059 0.000 1.281 276 A HN 0.431 nan 8.150 nan 0.000 0.402 277 c N 3.529 121.883 118.600 -0.409 0.000 2.679 277 c HA 0.457 5.027 4.570 0.000 0.000 0.417 277 c C -1.082 172.806 174.090 -0.337 0.000 1.302 277 c CA -0.236 55.833 56.329 -0.433 0.000 1.973 277 c CB -0.510 41.742 42.510 -0.430 0.000 2.715 277 c HN 0.768 nan 8.230 nan 0.000 0.628 278 P HA 0.028 nan 4.420 nan 0.000 0.277 278 P C 0.477 177.764 177.300 -0.022 0.000 1.276 278 P CA -0.130 62.830 63.100 -0.233 0.000 0.788 278 P CB 0.368 31.840 31.700 -0.380 0.000 1.114 279 Y N 1.266 121.562 120.300 -0.007 0.000 1.993 279 Y HA -0.303 4.247 4.550 0.000 0.000 0.267 279 Y C 2.046 177.980 175.900 0.056 0.000 1.155 279 Y CA 2.706 60.824 58.100 0.030 0.000 1.105 279 Y CB -1.093 37.393 38.460 0.044 0.000 0.960 279 Y HN 0.291 nan 8.280 nan 0.000 0.486 280 N N -0.605 118.132 118.700 0.062 0.000 2.434 280 N HA -0.018 4.723 4.740 0.000 0.000 0.196 280 N C -1.255 174.129 175.510 -0.211 0.000 1.183 280 N CA 0.067 53.017 53.050 -0.167 0.000 0.849 280 N CB -0.378 38.124 38.487 0.026 0.000 0.992 280 N HN 0.274 nan 8.380 nan 0.000 0.460 281 Y N -0.420 119.766 120.300 -0.189 0.000 2.432 281 Y HA 0.455 5.005 4.550 -0.000 0.000 0.322 281 Y C 0.116 175.915 175.900 -0.167 0.000 1.246 281 Y CA -0.703 57.300 58.100 -0.162 0.000 1.268 281 Y CB 0.983 39.304 38.460 -0.231 0.000 1.276 281 Y HN -0.179 nan 8.280 nan 0.000 0.499 282 L N 1.192 122.443 121.223 0.047 0.000 2.307 282 L HA 0.460 4.800 4.340 0.000 0.000 0.284 282 L C -0.236 176.624 176.870 -0.016 0.000 1.023 282 L CA -0.493 54.343 54.840 -0.006 0.000 0.810 282 L CB 1.541 43.609 42.059 0.016 0.000 1.231 282 L HN 0.503 nan 8.230 nan 0.000 0.423 283 S N 0.873 116.525 115.700 -0.079 0.000 2.545 283 S HA 0.497 4.968 4.470 0.000 0.000 0.275 283 S C 0.202 174.835 174.600 0.056 0.000 1.299 283 S CA -0.660 57.482 58.200 -0.097 0.000 1.048 283 S CB 1.166 64.218 63.200 -0.246 0.000 0.938 283 S HN 0.733 nan 8.310 nan 0.000 0.496 284 T N -0.521 114.124 114.554 0.152 0.000 2.940 284 T HA 0.421 4.771 4.350 0.000 0.000 0.288 284 T C 0.291 175.088 174.700 0.161 0.000 1.033 284 T CA -0.772 61.409 62.100 0.134 0.000 1.033 284 T CB 1.282 70.216 68.868 0.110 0.000 1.079 284 T HN 0.274 nan 8.240 nan 0.000 0.496 285 D N 0.550 121.008 120.400 0.098 0.000 2.178 285 D HA -0.036 4.604 4.640 0.000 0.000 0.202 285 D C 2.025 178.347 176.300 0.037 0.000 0.974 285 D CA 0.697 54.738 54.000 0.067 0.000 0.841 285 D CB -0.241 40.589 40.800 0.049 0.000 0.953 285 D HN 0.387 nan 8.370 nan 0.000 0.478 286 V N -0.238 119.703 119.914 0.046 0.000 3.140 286 V HA -0.069 4.051 4.120 0.000 0.000 0.269 286 V C 1.774 177.872 176.094 0.006 0.000 1.149 286 V CA 1.405 63.720 62.300 0.025 0.000 1.162 286 V CB -0.743 31.103 31.823 0.038 0.000 0.756 286 V HN 0.505 nan 8.190 nan 0.000 0.523 287 G N 0.549 109.366 108.800 0.028 0.000 2.143 287 G HA2 -0.250 3.710 3.960 0.000 0.000 0.249 287 G HA3 -0.250 3.710 3.960 0.000 0.000 0.249 287 G C 0.266 175.275 174.900 0.182 0.000 0.981 287 G CA 0.398 45.480 45.100 -0.030 0.000 0.665 287 G HN 0.814 nan 8.290 nan 0.000 0.528 288 S N -1.342 114.487 115.700 0.215 0.000 2.672 288 S HA 0.670 5.140 4.470 0.000 0.000 0.276 288 S C 0.224 174.963 174.600 0.231 0.000 1.207 288 S CA -0.404 57.928 58.200 0.220 0.000 1.002 288 S CB 2.272 65.570 63.200 0.163 0.000 0.998 288 S HN 0.760 nan 8.310 nan 0.000 0.542 289 c N 2.602 121.316 118.600 0.191 0.000 2.251 289 c HA 0.763 5.333 4.570 0.000 0.000 0.323 289 c C 0.871 175.112 174.090 0.251 0.000 1.241 289 c CA -0.658 55.739 56.329 0.113 0.000 1.601 289 c CB -0.564 41.903 42.510 -0.071 0.000 2.251 289 c HN 1.019 nan 8.230 nan 0.000 0.488 290 T N 0.383 115.078 114.554 0.236 0.000 2.940 290 T HA 0.621 4.971 4.350 0.000 0.000 0.288 290 T C 0.155 174.963 174.700 0.179 0.000 1.045 290 T CA -0.714 61.528 62.100 0.237 0.000 1.018 290 T CB 1.130 70.083 68.868 0.143 0.000 1.151 290 T HN 0.404 nan 8.240 nan 0.000 0.529 291 L N 0.917 122.195 121.223 0.090 0.000 2.741 291 L HA 0.556 4.897 4.340 0.000 0.000 0.237 291 L C -0.110 176.764 176.870 0.007 0.000 1.178 291 L CA -0.200 54.604 54.840 -0.060 0.000 0.973 291 L CB 0.765 42.764 42.059 -0.099 0.000 1.255 291 L HN 0.574 nan 8.230 nan 0.000 0.498 292 V N -1.370 118.574 119.914 0.051 0.000 2.881 292 V HA 0.138 4.258 4.120 0.000 0.000 0.275 292 V C -0.644 175.487 176.094 0.062 0.000 1.518 292 V CA -1.212 61.131 62.300 0.071 0.000 0.936 292 V CB 0.993 32.859 31.823 0.072 0.000 1.165 292 V HN 0.036 nan 8.190 nan 0.000 0.447 293 c N 9.457 128.094 118.600 0.062 0.000 2.523 293 c HA 0.274 4.845 4.570 0.000 0.000 0.406 293 c C -1.502 172.589 174.090 0.001 0.000 1.449 293 c CA -0.134 56.213 56.329 0.031 0.000 1.588 293 c CB -0.644 41.877 42.510 0.019 0.000 2.514 293 c HN 0.804 nan 8.230 nan 0.000 0.606 294 P HA 0.188 nan 4.420 nan 0.000 0.274 294 P C -0.127 177.078 177.300 -0.159 0.000 1.237 294 P CA -0.574 62.488 63.100 -0.064 0.000 0.793 294 P CB 0.478 32.150 31.700 -0.047 0.000 0.977 295 L N 3.376 124.455 121.223 -0.239 0.000 2.536 295 L HA -0.100 4.240 4.340 0.000 0.000 0.294 295 L C 1.219 177.673 176.870 -0.694 0.000 1.257 295 L CA 0.868 55.496 54.840 -0.353 0.000 0.850 295 L CB -0.893 40.996 42.059 -0.284 0.000 1.105 295 L HN 0.687 nan 8.230 nan 0.000 0.517 296 H N 1.486 120.563 119.070 0.012 0.000 2.527 296 H HA -0.205 4.351 4.556 -0.000 0.000 0.321 296 H C -0.818 174.515 175.328 0.008 0.000 1.092 296 H CA 0.614 56.667 56.048 0.009 0.000 1.118 296 H CB -2.103 27.664 29.762 0.009 0.000 1.536 296 H HN 0.638 nan 8.280 nan 0.000 0.407 297 N N 1.203 119.902 118.700 -0.001 0.000 2.380 297 N HA 0.324 5.064 4.740 0.000 0.000 0.290 297 N C -0.083 175.422 175.510 -0.009 0.000 1.236 297 N CA -0.633 52.420 53.050 0.005 0.000 0.780 297 N CB 2.554 41.033 38.487 -0.012 0.000 1.438 297 N HN 0.646 nan 8.380 nan 0.000 0.491 298 Q N -0.367 119.436 119.800 0.005 0.000 2.372 298 Q HA 0.455 4.795 4.340 0.000 0.000 0.273 298 Q C -1.213 174.811 176.000 0.040 0.000 1.078 298 Q CA -0.713 55.089 55.803 -0.001 0.000 0.806 298 Q CB 2.052 30.796 28.738 0.009 0.000 1.332 298 Q HN 0.357 nan 8.270 nan 0.000 0.435 299 E N 1.326 121.578 120.200 0.087 0.000 2.313 299 E HA 0.391 4.741 4.350 0.000 0.000 0.276 299 E C -0.836 175.815 176.600 0.085 0.000 1.031 299 E CA -0.495 55.972 56.400 0.112 0.000 0.857 299 E CB 1.740 31.560 29.700 0.200 0.000 1.040 299 E HN 0.365 nan 8.360 nan 0.000 0.408 300 V N 2.665 122.611 119.914 0.054 0.000 2.638 300 V HA 0.261 4.381 4.120 0.000 0.000 0.306 300 V C -0.307 175.800 176.094 0.022 0.000 1.052 300 V CA -0.831 61.492 62.300 0.039 0.000 0.885 300 V CB 2.220 34.063 31.823 0.033 0.000 0.999 300 V HN 0.662 nan 8.190 nan 0.000 0.424 301 T N 4.265 118.829 114.554 0.017 0.000 2.788 301 T HA 0.645 4.995 4.350 0.000 0.000 0.296 301 T C 0.405 175.107 174.700 0.003 0.000 1.009 301 T CA -0.069 62.033 62.100 0.002 0.000 0.949 301 T CB 1.323 70.191 68.868 -0.001 0.000 0.946 301 T HN 0.973 nan 8.240 nan 0.000 0.453 302 A N 2.696 125.515 122.820 -0.002 0.000 2.346 302 A HA 0.245 4.565 4.320 0.000 0.000 0.255 302 A C 1.263 178.850 177.584 0.004 0.000 1.113 302 A CA -0.238 51.801 52.037 0.003 0.000 0.798 302 A CB 0.155 19.155 19.000 0.001 0.000 1.073 302 A HN 0.895 nan 8.150 nan 0.000 0.502 303 E N -0.480 119.725 120.200 0.009 0.000 2.418 303 E HA -0.116 4.234 4.350 0.000 0.000 0.197 303 E C 0.262 176.869 176.600 0.013 0.000 1.026 303 E CA 0.883 57.290 56.400 0.011 0.000 0.862 303 E CB -0.036 29.672 29.700 0.013 0.000 0.799 303 E HN 0.627 nan 8.360 nan 0.000 0.518 304 D N -0.255 120.151 120.400 0.010 0.000 2.347 304 D HA -0.010 4.630 4.640 0.000 0.000 0.215 304 D C 1.290 177.597 176.300 0.011 0.000 0.976 304 D CA 0.928 54.936 54.000 0.013 0.000 0.884 304 D CB 0.102 40.907 40.800 0.008 0.000 0.915 304 D HN 0.278 nan 8.370 nan 0.000 0.526 305 G N 0.161 108.961 108.800 -0.001 0.000 2.136 305 G HA2 -0.251 3.709 3.960 0.000 0.000 0.242 305 G HA3 -0.251 3.709 3.960 0.000 0.000 0.242 305 G C 0.193 175.057 174.900 -0.060 0.000 0.989 305 G CA 0.298 45.388 45.100 -0.016 0.000 0.682 305 G HN 0.296 nan 8.290 nan 0.000 0.522 306 T N 1.584 116.106 114.554 -0.053 0.000 2.801 306 T HA 0.502 4.852 4.350 0.000 0.000 0.306 306 T C 0.283 174.944 174.700 -0.066 0.000 1.020 306 T CA -0.263 61.789 62.100 -0.080 0.000 0.948 306 T CB 1.106 69.938 68.868 -0.059 0.000 0.962 306 T HN 0.429 nan 8.240 nan 0.000 0.465 307 Q N 3.189 122.940 119.800 -0.083 0.000 2.261 307 Q HA 0.418 4.759 4.340 0.000 0.000 0.252 307 Q C 0.107 176.086 176.000 -0.036 0.000 0.915 307 Q CA -0.670 55.105 55.803 -0.048 0.000 0.915 307 Q CB 1.220 29.928 28.738 -0.050 0.000 1.204 307 Q HN 0.315 nan 8.270 nan 0.000 0.421 308 R N 1.008 121.505 120.500 -0.006 0.000 2.732 308 R HA 0.447 4.787 4.340 0.000 0.000 0.278 308 R C -0.925 175.393 176.300 0.030 0.000 0.976 308 R CA -0.726 55.380 56.100 0.009 0.000 0.963 308 R CB 1.352 31.666 30.300 0.023 0.000 1.150 308 R HN 0.626 nan 8.270 nan 0.000 0.478 309 c N 2.220 120.844 118.600 0.039 0.000 2.200 309 c HA 0.302 4.872 4.570 0.000 0.000 0.328 309 c C 0.622 174.738 174.090 0.044 0.000 1.148 309 c CA -0.403 55.952 56.329 0.044 0.000 1.624 309 c CB -0.780 41.756 42.510 0.044 0.000 2.167 309 c HN 0.621 nan 8.230 nan 0.000 0.484 310 E N 1.211 121.436 120.200 0.041 0.000 2.267 310 E HA 0.282 4.632 4.350 0.000 0.000 0.258 310 E C -0.078 176.547 176.600 0.042 0.000 1.074 310 E CA -0.727 55.699 56.400 0.042 0.000 0.915 310 E CB 0.956 30.680 29.700 0.039 0.000 1.186 310 E HN 0.499 nan 8.360 nan 0.000 0.439 311 K N 0.622 121.050 120.400 0.046 0.000 2.270 311 K HA 0.137 4.457 4.320 0.000 0.000 0.276 311 K C -0.977 175.655 176.600 0.054 0.000 1.023 311 K CA -0.445 55.877 56.287 0.057 0.000 0.955 311 K CB 0.586 33.120 32.500 0.057 0.000 0.975 311 K HN 0.504 nan 8.250 nan 0.000 0.471 312 c N 3.285 121.928 118.600 0.071 0.000 2.624 312 c HA 0.032 4.603 4.570 0.000 0.000 0.397 312 c C 1.738 175.854 174.090 0.043 0.000 1.331 312 c CA -0.402 55.962 56.329 0.060 0.000 1.716 312 c CB -0.629 41.931 42.510 0.084 0.000 2.452 312 c HN 0.863 nan 8.230 nan 0.000 0.586 313 S N 2.088 117.806 115.700 0.031 0.000 2.603 313 S HA 0.038 4.508 4.470 0.000 0.000 0.220 313 S C 0.280 174.888 174.600 0.014 0.000 0.967 313 S CA 0.000 58.213 58.200 0.022 0.000 0.920 313 S CB -0.242 62.971 63.200 0.020 0.000 0.773 313 S HN 0.930 nan 8.310 nan 0.000 0.529 314 K N -0.357 120.051 120.400 0.013 0.000 2.454 314 K HA 0.519 4.839 4.320 0.000 0.000 0.279 314 K C -3.439 173.162 176.600 0.002 0.000 1.020 314 K CA -2.058 54.231 56.287 0.004 0.000 0.850 314 K CB -0.613 31.890 32.500 0.005 0.000 1.529 314 K HN -0.234 nan 8.250 nan 0.000 0.390 315 P HA 0.073 nan 4.420 nan 0.000 0.260 315 P C -0.269 177.038 177.300 0.011 0.000 1.207 315 P CA -0.271 62.829 63.100 0.001 0.000 0.780 315 P CB -0.068 31.629 31.700 -0.005 0.000 0.789 316 c N 3.179 121.792 118.600 0.022 0.000 2.741 316 c HA 0.300 4.870 4.570 0.000 0.000 0.403 316 c C 1.713 175.808 174.090 0.007 0.000 1.282 316 c CA 0.061 56.400 56.329 0.017 0.000 2.053 316 c CB -0.222 42.301 42.510 0.022 0.000 2.731 316 c HN 0.746 nan 8.230 nan 0.000 0.680 317 A N 3.029 125.849 122.820 0.001 0.000 2.387 317 A HA 0.309 4.629 4.320 0.000 0.000 0.251 317 A C 0.560 178.136 177.584 -0.015 0.000 1.113 317 A CA 0.025 52.061 52.037 -0.002 0.000 0.794 317 A CB 0.093 19.095 19.000 0.003 0.000 1.069 317 A HN 0.924 nan 8.150 nan 0.000 0.506 318 R N -0.742 119.751 120.500 -0.011 0.000 2.490 318 R HA 0.433 4.773 4.340 0.000 0.000 0.280 318 R C -0.637 175.630 176.300 -0.055 0.000 1.077 318 R CA 0.025 56.113 56.100 -0.020 0.000 1.065 318 R CB 0.288 30.586 30.300 -0.004 0.000 1.003 318 R HN 0.691 nan 8.270 nan 0.000 0.470 319 V N 0.863 120.694 119.914 -0.139 0.000 2.914 319 V HA 0.456 4.576 4.120 0.000 0.000 0.314 319 V C -0.500 175.482 176.094 -0.186 0.000 1.084 319 V CA -1.244 60.927 62.300 -0.216 0.000 0.963 319 V CB 1.703 33.158 31.823 -0.613 0.000 1.025 319 V HN 0.817 nan 8.190 nan 0.000 0.432 320 c N 3.285 121.886 118.600 0.001 0.000 2.322 320 c HA 0.579 5.149 4.570 0.000 0.000 0.343 320 c C -0.115 174.045 174.090 0.118 0.000 1.190 320 c CA -0.497 55.898 56.329 0.110 0.000 1.704 320 c CB -1.954 40.688 42.510 0.220 0.000 2.293 320 c HN 0.734 nan 8.230 nan 0.000 0.523 321 Y N 1.536 121.992 120.300 0.259 0.000 2.301 321 Y HA 0.534 5.084 4.550 0.001 0.000 0.325 321 Y C 1.092 177.111 175.900 0.200 0.000 1.203 321 Y CA 0.693 58.901 58.100 0.178 0.000 1.255 321 Y CB 0.696 39.150 38.460 -0.009 0.000 1.232 321 Y HN 0.790 nan 8.280 nan 0.000 0.501 322 G N 1.408 110.407 108.800 0.331 0.000 2.828 322 G HA2 0.511 4.471 3.960 0.000 0.000 0.244 322 G HA3 0.511 4.471 3.960 0.000 0.000 0.244 322 G C -0.855 174.116 174.900 0.119 0.000 1.365 322 G CA -1.134 44.134 45.100 0.279 0.000 1.041 322 G HN 0.557 nan 8.290 nan 0.000 0.560 323 L N 0.590 121.831 121.223 0.030 0.000 2.485 323 L HA 0.335 4.675 4.340 0.000 0.000 0.275 323 L C 1.546 178.386 176.870 -0.050 0.000 1.207 323 L CA 1.160 55.983 54.840 -0.028 0.000 0.855 323 L CB 0.355 42.363 42.059 -0.086 0.000 1.114 323 L HN 1.044 nan 8.230 nan 0.000 0.485 324 G N 2.760 111.537 108.800 -0.040 0.000 2.147 324 G HA2 -0.210 3.750 3.960 0.000 0.000 0.244 324 G HA3 -0.210 3.750 3.960 0.000 0.000 0.244 324 G C -0.207 174.670 174.900 -0.039 0.000 1.005 324 G CA -0.269 44.814 45.100 -0.029 0.000 0.713 324 G HN 0.371 nan 8.290 nan 0.000 0.515 325 M N -0.706 118.847 119.600 -0.078 0.000 2.433 325 M HA 0.440 4.920 4.480 0.000 0.000 0.290 325 M C 0.814 176.915 176.300 -0.332 0.000 1.173 325 M CA -0.933 54.277 55.300 -0.151 0.000 0.905 325 M CB 1.702 34.297 32.600 -0.008 0.000 1.692 325 M HN 0.148 nan 8.290 nan 0.000 0.462 326 E N 1.752 121.694 120.200 -0.430 0.000 3.484 326 E HA -0.295 4.055 4.350 0.000 0.000 0.416 326 E C 1.213 177.676 176.600 -0.228 0.000 1.593 326 E CA 2.346 58.496 56.400 -0.418 0.000 1.570 326 E CB -1.017 28.215 29.700 -0.780 0.000 1.551 326 E HN 0.943 nan 8.360 nan 0.000 0.437 327 H N 1.016 120.007 119.070 -0.131 0.000 2.491 327 H HA 0.035 4.591 4.556 -0.000 0.000 0.290 327 H C 1.998 177.310 175.328 -0.026 0.000 1.050 327 H CA 1.182 57.197 56.048 -0.054 0.000 1.309 327 H CB -0.310 29.438 29.762 -0.024 0.000 1.392 327 H HN 0.204 nan 8.280 nan 0.000 0.554 328 L N 0.996 122.006 121.223 -0.355 0.000 2.728 328 L HA 0.217 4.557 4.340 0.000 0.000 0.235 328 L C 2.494 179.304 176.870 -0.100 0.000 1.197 328 L CA -0.158 54.581 54.840 -0.167 0.000 0.992 328 L CB 0.014 41.971 42.059 -0.170 0.000 1.263 328 L HN 0.110 nan 8.230 nan 0.000 0.484 329 R N 0.925 121.366 120.500 -0.099 0.000 2.073 329 R HA -0.119 4.221 4.340 0.000 0.000 0.234 329 R C 1.222 177.502 176.300 -0.034 0.000 1.134 329 R CA 1.269 57.329 56.100 -0.068 0.000 0.952 329 R CB 0.277 30.535 30.300 -0.069 0.000 0.850 329 R HN 0.320 nan 8.270 nan 0.000 0.433 330 E N 0.250 120.436 120.200 -0.023 0.000 2.437 330 E HA 0.066 4.416 4.350 0.000 0.000 0.189 330 E C -0.422 176.176 176.600 -0.003 0.000 1.054 330 E CA 0.031 56.425 56.400 -0.010 0.000 0.874 330 E CB 0.755 30.451 29.700 -0.007 0.000 1.011 330 E HN 0.074 nan 8.360 nan 0.000 0.474 331 V N 1.658 121.570 119.914 -0.003 0.000 2.407 331 V HA 0.164 4.284 4.120 0.000 0.000 0.278 331 V C 1.402 177.501 176.094 0.007 0.000 1.037 331 V CA -0.309 61.996 62.300 0.008 0.000 0.900 331 V CB 1.665 33.500 31.823 0.020 0.000 0.983 331 V HN 0.065 nan 8.190 nan 0.000 0.459 332 R N 3.034 123.540 120.500 0.011 0.000 2.057 332 R HA 0.251 4.591 4.340 0.000 0.000 0.229 332 R C 0.665 176.968 176.300 0.004 0.000 1.136 332 R CA 1.380 57.486 56.100 0.011 0.000 0.952 332 R CB 0.044 30.355 30.300 0.018 0.000 0.848 332 R HN 0.757 nan 8.270 nan 0.000 0.430 333 A N 0.105 122.927 122.820 0.003 0.000 2.469 333 A HA 0.502 4.822 4.320 0.000 0.000 0.299 333 A C -0.751 176.818 177.584 -0.026 0.000 1.098 333 A CA -0.708 51.316 52.037 -0.021 0.000 0.737 333 A CB 1.614 20.618 19.000 0.006 0.000 1.312 333 A HN -0.025 nan 8.150 nan 0.000 0.414 334 V N 2.224 122.071 119.914 -0.112 0.000 2.529 334 V HA 0.444 4.564 4.120 0.000 0.000 0.292 334 V C 0.887 177.011 176.094 0.051 0.000 1.028 334 V CA 1.189 63.490 62.300 0.003 0.000 1.074 334 V CB 0.287 32.009 31.823 -0.168 0.000 0.958 334 V HN 1.212 nan 8.190 nan 0.000 0.481 335 T N 0.339 114.950 114.554 0.096 0.000 2.812 335 T HA 0.334 4.684 4.350 0.000 0.000 0.294 335 T C 1.161 175.896 174.700 0.058 0.000 1.159 335 T CA 0.036 62.156 62.100 0.033 0.000 1.008 335 T CB 1.538 70.413 68.868 0.011 0.000 1.289 335 T HN 0.610 nan 8.240 nan 0.000 0.514 336 S N 0.689 116.404 115.700 0.026 0.000 2.383 336 S HA -0.105 4.365 4.470 0.000 0.000 0.229 336 S C 2.407 177.022 174.600 0.025 0.000 1.030 336 S CA 1.261 59.479 58.200 0.030 0.000 1.002 336 S CB -1.348 61.864 63.200 0.021 0.000 0.829 336 S HN 1.258 nan 8.310 nan 0.000 0.467 337 A N 2.906 125.739 122.820 0.021 0.000 2.024 337 A HA -0.100 4.220 4.320 0.000 0.000 0.220 337 A C 1.804 179.393 177.584 0.007 0.000 1.164 337 A CA 1.667 53.712 52.037 0.013 0.000 0.643 337 A CB -0.734 18.274 19.000 0.014 0.000 0.806 337 A HN 0.902 nan 8.150 nan 0.000 0.451 338 N N -2.172 116.542 118.700 0.024 0.000 2.194 338 N HA 0.120 4.860 4.740 0.000 0.000 0.231 338 N C 0.620 176.113 175.510 -0.028 0.000 1.247 338 N CA 0.065 53.108 53.050 -0.011 0.000 0.884 338 N CB -0.401 38.098 38.487 0.020 0.000 1.146 338 N HN 0.154 nan 8.380 nan 0.000 0.516 339 I N 0.713 121.322 120.570 0.065 0.000 2.361 339 I HA -0.109 4.061 4.170 0.000 0.000 0.251 339 I C 1.619 177.740 176.117 0.007 0.000 1.133 339 I CA 1.571 62.962 61.300 0.153 0.000 1.413 339 I CB -0.096 37.977 38.000 0.122 0.000 1.073 339 I HN 0.156 nan 8.210 nan 0.000 0.424 340 Q N -0.034 119.720 119.800 -0.076 0.000 2.291 340 Q HA -0.202 4.138 4.340 0.000 0.000 0.205 340 Q C 2.000 177.890 176.000 -0.183 0.000 0.970 340 Q CA 0.811 56.552 55.803 -0.103 0.000 0.876 340 Q CB -0.240 28.452 28.738 -0.077 0.000 0.935 340 Q HN 0.533 nan 8.270 nan 0.000 0.455 341 E N -0.107 119.880 120.200 -0.354 0.000 2.273 341 E HA -0.142 4.208 4.350 0.000 0.000 0.198 341 E C 0.799 177.097 176.600 -0.503 0.000 1.002 341 E CA 0.992 57.102 56.400 -0.485 0.000 0.828 341 E CB -0.110 29.175 29.700 -0.693 0.000 0.747 341 E HN 0.397 nan 8.360 nan 0.000 0.491 342 F N -0.660 119.311 119.950 0.034 0.000 2.731 342 F HA 0.390 4.917 4.527 0.000 0.000 0.298 342 F C 0.975 176.752 175.800 -0.038 0.000 1.106 342 F CA -0.146 57.874 58.000 0.034 0.000 1.329 342 F CB -0.026 39.010 39.000 0.060 0.000 1.100 342 F HN -0.131 nan 8.300 nan 0.000 0.592 343 A N 1.201 124.037 122.820 0.026 0.000 2.581 343 A HA 0.284 4.604 4.320 0.000 0.000 0.257 343 A C 1.587 179.189 177.584 0.030 0.000 1.022 343 A CA 1.006 53.041 52.037 -0.004 0.000 0.812 343 A CB -1.167 17.815 19.000 -0.030 0.000 0.918 343 A HN 1.038 nan 8.150 nan 0.000 0.516 344 G N 1.282 110.104 108.800 0.035 0.000 2.148 344 G HA2 -0.245 3.715 3.960 0.000 0.000 0.254 344 G HA3 -0.245 3.715 3.960 0.000 0.000 0.254 344 G C 0.289 175.234 174.900 0.075 0.000 0.981 344 G CA 0.155 45.281 45.100 0.044 0.000 0.670 344 G HN 1.213 nan 8.290 nan 0.000 0.528 345 c N -0.079 118.593 118.600 0.121 0.000 2.435 345 c HA 0.601 5.171 4.570 0.000 0.000 0.375 345 c C 1.685 175.854 174.090 0.133 0.000 1.281 345 c CA 0.358 56.776 56.329 0.149 0.000 1.963 345 c CB 1.341 43.995 42.510 0.240 0.000 2.490 345 c HN 0.621 nan 8.230 nan 0.000 0.557 346 K N 1.496 121.952 120.400 0.094 0.000 2.335 346 K HA 0.149 4.469 4.320 0.000 0.000 0.195 346 K C 0.549 177.169 176.600 0.033 0.000 1.058 346 K CA 0.560 56.887 56.287 0.065 0.000 0.988 346 K CB 0.200 32.727 32.500 0.046 0.000 0.880 346 K HN 0.652 nan 8.250 nan 0.000 0.513 347 K N 1.357 121.766 120.400 0.015 0.000 2.535 347 K HA 0.298 4.618 4.320 0.000 0.000 0.250 347 K C -1.575 174.961 176.600 -0.107 0.000 0.948 347 K CA -0.522 55.706 56.287 -0.099 0.000 0.796 347 K CB 1.357 33.754 32.500 -0.173 0.000 1.216 347 K HN 0.024 nan 8.250 nan 0.000 0.432 348 I N 4.617 125.106 120.570 -0.135 0.000 2.339 348 I HA 0.277 4.447 4.170 0.000 0.000 0.290 348 I C -0.661 175.345 176.117 -0.186 0.000 0.994 348 I CA -0.871 60.406 61.300 -0.038 0.000 1.191 348 I CB 0.852 38.876 38.000 0.039 0.000 1.343 348 I HN 0.477 nan 8.210 nan 0.000 0.458 349 F N 5.635 125.593 119.950 0.012 0.000 2.377 349 F HA 0.588 5.115 4.527 0.000 0.000 0.360 349 F C 1.015 176.879 175.800 0.107 0.000 1.147 349 F CA 0.081 58.108 58.000 0.045 0.000 1.170 349 F CB 0.428 39.450 39.000 0.037 0.000 1.339 349 F HN 0.674 nan 8.300 nan 0.000 0.552 350 G N 1.116 109.988 108.800 0.119 0.000 2.250 350 G HA2 0.199 4.159 3.960 0.000 0.000 0.252 350 G HA3 0.199 4.159 3.960 0.000 0.000 0.252 350 G C -1.190 173.640 174.900 -0.117 0.000 1.325 350 G CA -0.852 44.272 45.100 0.040 0.000 1.091 350 G HN 0.470 nan 8.290 nan 0.000 0.476 351 S N -1.076 114.486 115.700 -0.229 0.000 2.667 351 S HA 0.851 5.321 4.470 0.000 0.000 0.292 351 S C -0.833 173.512 174.600 -0.427 0.000 1.126 351 S CA -0.636 57.270 58.200 -0.490 0.000 0.881 351 S CB 1.744 64.300 63.200 -1.074 0.000 1.132 351 S HN 0.726 nan 8.310 nan 0.000 0.492 352 L N 1.559 122.484 121.223 -0.497 0.000 2.376 352 L HA 0.761 5.101 4.340 0.000 0.000 0.275 352 L C -0.660 175.963 176.870 -0.411 0.000 0.987 352 L CA -0.634 53.901 54.840 -0.508 0.000 0.828 352 L CB 1.667 43.384 42.059 -0.570 0.000 1.249 352 L HN 0.750 nan 8.230 nan 0.000 0.409 353 A N 3.745 126.329 122.820 -0.393 0.000 2.319 353 A HA 0.807 5.127 4.320 0.000 0.000 0.310 353 A C -1.221 176.219 177.584 -0.241 0.000 1.152 353 A CA -0.288 51.700 52.037 -0.082 0.000 0.783 353 A CB 0.507 19.541 19.000 0.055 0.000 1.184 353 A HN 0.505 nan 8.150 nan 0.000 0.474 354 F N 2.576 122.692 119.950 0.277 0.000 2.427 354 F HA 0.655 5.183 4.527 0.000 0.000 0.346 354 F C -0.149 175.835 175.800 0.306 0.000 1.120 354 F CA -0.572 57.584 58.000 0.260 0.000 1.033 354 F CB 1.580 40.825 39.000 0.408 0.000 1.126 354 F HN 0.316 nan 8.300 nan 0.000 0.462 355 L N 4.702 126.143 121.223 0.363 0.000 2.327 355 L HA 0.558 4.898 4.340 0.000 0.000 0.258 355 L C -1.672 175.373 176.870 0.293 0.000 1.024 355 L CA -2.235 52.796 54.840 0.319 0.000 0.825 355 L CB 1.618 43.816 42.059 0.231 0.000 1.386 355 L HN 0.133 nan 8.230 nan 0.000 0.417 356 P HA -0.238 nan 4.420 nan 0.000 0.218 356 P C 1.054 178.482 177.300 0.213 0.000 1.154 356 P CA 1.666 64.928 63.100 0.270 0.000 0.872 356 P CB 0.123 31.930 31.700 0.179 0.000 0.790 357 E N -0.856 119.423 120.200 0.131 0.000 2.204 357 E HA -0.128 4.222 4.350 0.000 0.000 0.195 357 E C 1.749 178.351 176.600 0.004 0.000 0.990 357 E CA 1.154 57.599 56.400 0.075 0.000 0.821 357 E CB -1.000 28.735 29.700 0.059 0.000 0.750 357 E HN 0.117 nan 8.360 nan 0.000 0.477 358 S N 0.726 116.376 115.700 -0.084 0.000 2.372 358 S HA -0.162 4.309 4.470 0.000 0.000 0.227 358 S C 1.318 175.633 174.600 -0.474 0.000 1.044 358 S CA 1.827 59.821 58.200 -0.344 0.000 1.050 358 S CB -0.347 62.485 63.200 -0.612 0.000 0.901 358 S HN 0.324 nan 8.310 nan 0.000 0.447 359 F N 1.833 121.845 119.950 0.103 0.000 2.293 359 F HA 0.138 4.665 4.527 0.000 0.000 0.256 359 F C 0.907 176.733 175.800 0.044 0.000 1.142 359 F CA -0.303 57.729 58.000 0.053 0.000 1.041 359 F CB -0.868 38.146 39.000 0.025 0.000 1.070 359 F HN -0.001 nan 8.300 nan 0.000 0.570 360 D N 2.348 122.899 120.400 0.251 0.000 2.719 360 D HA 0.018 4.658 4.640 0.000 0.000 0.265 360 D C 0.827 177.183 176.300 0.094 0.000 1.360 360 D CA 0.671 54.753 54.000 0.137 0.000 1.438 360 D CB -1.422 39.448 40.800 0.117 0.000 1.158 360 D HN 0.427 nan 8.370 nan 0.000 0.537 367 T N 2.183 116.747 114.554 0.016 0.000 2.930 367 T HA 0.545 4.895 4.350 0.000 0.000 0.306 367 T C 0.521 175.233 174.700 0.020 0.000 1.045 367 T CA 0.299 62.409 62.100 0.016 0.000 1.134 367 T CB 1.313 70.191 68.868 0.017 0.000 0.961 367 T HN 0.496 nan 8.240 nan 0.000 0.545 368 A N 4.787 127.619 122.820 0.020 0.000 2.445 368 A HA 0.661 4.981 4.320 0.000 0.000 0.270 368 A C -2.311 175.295 177.584 0.037 0.000 1.495 368 A CA -1.224 50.828 52.037 0.025 0.000 0.840 368 A CB -0.479 18.533 19.000 0.021 0.000 1.472 368 A HN 0.607 nan 8.150 nan 0.000 0.541 369 P HA 0.380 nan 4.420 nan 0.000 0.301 369 P C -0.972 176.375 177.300 0.078 0.000 1.338 369 P CA -0.598 62.550 63.100 0.079 0.000 0.834 369 P CB 0.883 32.638 31.700 0.091 0.000 0.967 370 L N 4.086 125.354 121.223 0.076 0.000 2.654 370 L HA 0.038 4.378 4.340 0.000 0.000 0.271 370 L C 0.274 177.245 176.870 0.168 0.000 1.169 370 L CA 0.914 55.803 54.840 0.082 0.000 0.947 370 L CB -0.698 41.347 42.059 -0.023 0.000 1.232 370 L HN 0.313 nan 8.230 nan 0.000 0.486 371 Q N 7.036 126.885 119.800 0.081 0.000 2.293 371 Q HA 0.211 4.551 4.340 0.000 0.000 0.251 371 Q C -1.548 174.453 176.000 0.000 0.000 0.930 371 Q CA -1.856 53.970 55.803 0.038 0.000 0.893 371 Q CB 0.646 29.387 28.738 0.004 0.000 1.215 371 Q HN 0.455 nan 8.270 nan 0.000 0.425 372 P HA -0.234 nan 4.420 nan 0.000 0.217 372 P C 1.011 178.228 177.300 -0.138 0.000 1.151 372 P CA 1.530 64.527 63.100 -0.173 0.000 0.849 372 P CB 0.296 31.863 31.700 -0.222 0.000 0.787 373 E N 0.241 120.386 120.200 -0.091 0.000 2.208 373 E HA -0.193 4.157 4.350 0.000 0.000 0.193 373 E C 1.679 178.239 176.600 -0.067 0.000 0.988 373 E CA 1.004 57.358 56.400 -0.076 0.000 0.828 373 E CB -1.019 28.646 29.700 -0.057 0.000 0.763 373 E HN 0.417 nan 8.360 nan 0.000 0.478 374 Q N 0.634 120.403 119.800 -0.052 0.000 2.291 374 Q HA 0.017 4.357 4.340 0.000 0.000 0.206 374 Q C 2.355 178.313 176.000 -0.070 0.000 0.976 374 Q CA 0.723 56.498 55.803 -0.047 0.000 0.875 374 Q CB -0.239 28.491 28.738 -0.014 0.000 0.927 374 Q HN 0.324 nan 8.270 nan 0.000 0.450 375 L N 0.558 121.741 121.223 -0.067 0.000 2.450 375 L HA -0.204 4.136 4.340 0.000 0.000 0.224 375 L C 1.947 178.766 176.870 -0.085 0.000 1.149 375 L CA 0.824 55.634 54.840 -0.049 0.000 0.816 375 L CB -0.273 41.702 42.059 -0.140 0.000 0.932 375 L HN 0.290 nan 8.230 nan 0.000 0.449 376 Q N -0.484 119.254 119.800 -0.103 0.000 2.364 376 Q HA -0.145 4.195 4.340 0.000 0.000 0.207 376 Q C 2.313 178.238 176.000 -0.124 0.000 0.970 376 Q CA 1.334 57.081 55.803 -0.092 0.000 0.888 376 Q CB -0.124 28.573 28.738 -0.069 0.000 0.951 376 Q HN 0.616 nan 8.270 nan 0.000 0.469 377 V N -2.136 117.645 119.914 -0.221 0.000 2.370 377 V HA -0.273 3.847 4.120 0.000 0.000 0.252 377 V C 1.471 177.417 176.094 -0.246 0.000 1.068 377 V CA 1.649 63.786 62.300 -0.271 0.000 1.061 377 V CB -0.948 30.650 31.823 -0.375 0.000 0.656 377 V HN 0.218 nan 8.190 nan 0.000 0.455 378 F N 2.431 122.383 119.950 0.003 0.000 2.816 378 F HA 0.162 4.689 4.527 -0.000 0.000 0.302 378 F C 2.277 178.049 175.800 -0.047 0.000 1.178 378 F CA 0.444 58.437 58.000 -0.012 0.000 1.421 378 F CB -1.064 37.861 39.000 -0.124 0.000 1.114 378 F HN 0.436 nan 8.300 nan 0.000 0.573 379 E N 0.026 120.260 120.200 0.057 0.000 2.265 379 E HA -0.179 4.171 4.350 0.000 0.000 0.196 379 E C 1.324 177.959 176.600 0.058 0.000 0.996 379 E CA 1.674 58.092 56.400 0.031 0.000 0.832 379 E CB -0.744 28.954 29.700 -0.002 0.000 0.756 379 E HN 0.413 nan 8.360 nan 0.000 0.491 380 T N -0.767 113.834 114.554 0.078 0.000 3.122 380 T HA 0.210 4.560 4.350 0.000 0.000 0.250 380 T C 0.336 175.099 174.700 0.105 0.000 1.067 380 T CA -0.528 61.617 62.100 0.075 0.000 0.966 380 T CB 0.044 68.948 68.868 0.059 0.000 1.002 380 T HN 0.011 nan 8.240 nan 0.000 0.542 381 L N 2.103 123.423 121.223 0.160 0.000 2.313 381 L HA 0.414 4.755 4.340 0.000 0.000 0.282 381 L C 0.702 177.638 176.870 0.110 0.000 1.092 381 L CA 0.267 55.214 54.840 0.179 0.000 0.831 381 L CB 0.666 42.914 42.059 0.315 0.000 1.159 381 L HN 0.122 nan 8.230 nan 0.000 0.442 382 E N 2.736 122.969 120.200 0.056 0.000 2.434 382 E HA 0.131 4.481 4.350 0.000 0.000 0.207 382 E C -0.352 176.237 176.600 -0.018 0.000 0.929 382 E CA 0.073 56.483 56.400 0.016 0.000 1.001 382 E CB 0.861 30.565 29.700 0.008 0.000 1.016 382 E HN 0.665 nan 8.360 nan 0.000 0.502 383 E N 1.054 121.231 120.200 -0.039 0.000 2.304 383 E HA 0.357 4.707 4.350 0.000 0.000 0.277 383 E C -1.504 175.024 176.600 -0.120 0.000 0.898 383 E CA -0.409 55.940 56.400 -0.086 0.000 0.764 383 E CB 1.447 31.079 29.700 -0.113 0.000 1.216 383 E HN -0.051 nan 8.360 nan 0.000 0.419 384 I N 3.964 124.456 120.570 -0.129 0.000 2.378 384 I HA 0.207 4.377 4.170 0.000 0.000 0.291 384 I C 1.303 177.335 176.117 -0.143 0.000 0.992 384 I CA -0.456 60.752 61.300 -0.152 0.000 1.154 384 I CB 2.019 39.918 38.000 -0.168 0.000 1.315 384 I HN 0.791 nan 8.210 nan 0.000 0.448 385 T N 1.034 115.489 114.554 -0.165 0.000 3.035 385 T HA 0.136 4.486 4.350 0.000 0.000 0.259 385 T C 1.077 175.745 174.700 -0.054 0.000 1.078 385 T CA 0.477 62.504 62.100 -0.123 0.000 1.132 385 T CB 0.100 68.879 68.868 -0.149 0.000 0.900 385 T HN 0.644 nan 8.240 nan 0.000 0.480 386 G N 0.941 109.704 108.800 -0.062 0.000 2.928 386 G HA2 0.506 4.466 3.960 0.000 0.000 0.163 386 G HA3 0.506 4.466 3.960 0.000 0.000 0.163 386 G C -0.314 174.595 174.900 0.015 0.000 1.573 386 G CA -0.409 44.672 45.100 -0.031 0.000 1.084 386 G HN 0.656 nan 8.290 nan 0.000 0.569 387 Y N -2.110 118.190 120.300 -0.000 0.000 2.675 387 Y HA 0.797 5.347 4.550 -0.000 0.000 0.328 387 Y C -0.968 174.919 175.900 -0.022 0.000 1.092 387 Y CA -1.944 56.167 58.100 0.019 0.000 1.190 387 Y CB 1.507 40.023 38.460 0.094 0.000 1.350 387 Y HN 0.447 nan 8.280 nan 0.000 0.525 388 L N 2.432 123.805 121.223 0.251 0.000 2.406 388 L HA 0.499 4.840 4.340 0.000 0.000 0.272 388 L C -2.122 174.915 176.870 0.278 0.000 0.980 388 L CA -1.069 53.822 54.840 0.086 0.000 0.831 388 L CB 1.375 43.342 42.059 -0.152 0.000 1.253 388 L HN 0.768 nan 8.230 nan 0.000 0.406 389 Y N 5.882 126.277 120.300 0.160 0.000 2.346 389 Y HA 0.739 5.290 4.550 0.000 0.000 0.332 389 Y C -1.354 174.628 175.900 0.137 0.000 0.985 389 Y CA -0.831 57.340 58.100 0.118 0.000 1.112 389 Y CB 1.416 39.977 38.460 0.167 0.000 1.170 389 Y HN 0.542 nan 8.280 nan 0.000 0.447 390 I N 6.133 126.586 120.570 -0.196 0.000 2.439 390 I HA 0.234 4.404 4.170 0.000 0.000 0.283 390 I C 0.168 176.122 176.117 -0.271 0.000 1.023 390 I CA -0.421 60.862 61.300 -0.028 0.000 1.100 390 I CB 1.980 39.949 38.000 -0.051 0.000 1.238 390 I HN 0.758 nan 8.210 nan 0.000 0.445 391 S N 3.581 119.222 115.700 -0.097 0.000 2.559 391 S HA 0.607 5.077 4.470 0.000 0.000 0.226 391 S C 0.343 175.013 174.600 0.118 0.000 1.000 391 S CA -0.170 57.982 58.200 -0.080 0.000 0.948 391 S CB 0.726 63.937 63.200 0.018 0.000 0.870 391 S HN 0.650 nan 8.310 nan 0.000 0.497 392 A N 0.667 123.659 122.820 0.287 0.000 2.572 392 A HA 0.698 5.018 4.320 0.000 0.000 0.295 392 A C -1.919 175.985 177.584 0.534 0.000 1.072 392 A CA -0.615 51.639 52.037 0.361 0.000 0.691 392 A CB 1.219 20.489 19.000 0.451 0.000 1.291 392 A HN 0.550 nan 8.150 nan 0.000 0.404 393 W N 2.063 123.301 121.300 -0.104 0.000 3.818 393 W HA 0.395 5.055 4.660 -0.000 0.000 0.283 393 W C -3.272 172.945 176.519 -0.504 0.000 1.265 393 W CA -1.358 55.794 57.345 -0.322 0.000 1.226 393 W CB 1.437 30.804 29.460 -0.155 0.000 1.281 393 W HN 0.567 nan 8.180 nan 0.000 0.539 394 P HA 0.034 nan 4.420 nan 0.000 0.264 394 P C 0.658 177.760 177.300 -0.331 0.000 1.193 394 P CA 0.605 63.296 63.100 -0.681 0.000 0.763 394 P CB 0.798 32.075 31.700 -0.705 0.000 0.810 395 D N 1.431 121.698 120.400 -0.221 0.000 2.158 395 D HA -0.157 4.483 4.640 0.000 0.000 0.197 395 D C 1.693 177.916 176.300 -0.129 0.000 0.995 395 D CA 1.864 55.787 54.000 -0.128 0.000 0.846 395 D CB -0.299 40.441 40.800 -0.101 0.000 0.941 395 D HN 0.447 nan 8.370 nan 0.000 0.456 396 S N -0.362 115.246 115.700 -0.154 0.000 2.537 396 S HA -0.075 4.395 4.470 0.000 0.000 0.240 396 S C 0.951 175.476 174.600 -0.126 0.000 0.981 396 S CA 0.191 58.314 58.200 -0.129 0.000 0.948 396 S CB -0.274 62.848 63.200 -0.130 0.000 0.759 396 S HN 0.143 nan 8.310 nan 0.000 0.531 397 L N 2.170 123.309 121.223 -0.140 0.000 2.305 397 L HA 0.427 4.767 4.340 0.000 0.000 0.284 397 L C -1.702 175.119 176.870 -0.083 0.000 1.013 397 L CA -2.065 52.718 54.840 -0.094 0.000 0.819 397 L CB 1.931 43.938 42.059 -0.086 0.000 1.227 397 L HN -0.057 nan 8.230 nan 0.000 0.417 398 P HA 0.026 nan 4.420 nan 0.000 0.245 398 P C -0.709 176.140 177.300 -0.751 0.000 1.206 398 P CA 0.573 63.395 63.100 -0.464 0.000 0.781 398 P CB 0.257 31.574 31.700 -0.639 0.000 0.994 399 D N -1.092 119.002 120.400 -0.509 0.000 2.759 399 D HA 0.128 4.768 4.640 0.000 0.000 0.321 399 D C -0.342 175.845 176.300 -0.188 0.000 1.267 399 D CA -0.866 52.801 54.000 -0.555 0.000 0.933 399 D CB 0.215 40.514 40.800 -0.836 0.000 1.431 399 D HN -0.173 nan 8.370 nan 0.000 0.504 400 L N 1.256 122.362 121.223 -0.195 0.000 3.073 400 L HA 0.216 4.556 4.340 0.000 0.000 0.242 400 L C 1.417 178.302 176.870 0.025 0.000 1.317 400 L CA -0.157 54.607 54.840 -0.127 0.000 1.081 400 L CB -0.016 41.902 42.059 -0.236 0.000 1.456 400 L HN 0.474 nan 8.230 nan 0.000 0.525 401 S N -1.127 114.592 115.700 0.033 0.000 2.453 401 S HA -0.128 4.342 4.470 0.000 0.000 0.231 401 S C 1.934 176.526 174.600 -0.013 0.000 1.005 401 S CA 0.776 58.991 58.200 0.025 0.000 0.949 401 S CB -0.445 62.786 63.200 0.052 0.000 0.774 401 S HN 0.407 nan 8.310 nan 0.000 0.510 402 V N -1.334 118.550 119.914 -0.050 0.000 2.660 402 V HA -0.006 4.114 4.120 0.000 0.000 0.257 402 V C 1.376 177.271 176.094 -0.331 0.000 1.088 402 V CA 1.300 63.486 62.300 -0.189 0.000 1.106 402 V CB -1.464 30.212 31.823 -0.244 0.000 0.686 402 V HN 0.526 nan 8.190 nan 0.000 0.481 403 F N 0.129 120.104 119.950 0.041 0.000 2.819 403 F HA 0.390 4.917 4.527 0.000 0.000 0.294 403 F C 2.034 177.772 175.800 -0.102 0.000 1.166 403 F CA -0.206 57.772 58.000 -0.035 0.000 1.374 403 F CB -0.209 38.726 39.000 -0.109 0.000 0.956 403 F HN 0.079 nan 8.300 nan 0.000 0.509 404 Q N 0.490 120.304 119.800 0.023 0.000 2.152 404 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 404 Q C 1.382 177.349 176.000 -0.056 0.000 0.985 404 Q CA 1.395 57.170 55.803 -0.047 0.000 0.863 404 Q CB -0.072 28.649 28.738 -0.029 0.000 0.904 404 Q HN 0.409 nan 8.270 nan 0.000 0.422 405 N N -0.132 118.568 118.700 -0.001 0.000 2.280 405 N HA 0.015 4.755 4.740 0.000 0.000 0.192 405 N C -0.168 175.344 175.510 0.004 0.000 1.109 405 N CA -0.012 53.038 53.050 -0.000 0.000 0.855 405 N CB 0.187 38.688 38.487 0.024 0.000 0.974 405 N HN 0.120 nan 8.380 nan 0.000 0.482 406 L N 1.937 123.172 121.223 0.021 0.000 2.534 406 L HA -0.009 4.331 4.340 0.000 0.000 0.271 406 L C 1.127 177.955 176.870 -0.069 0.000 1.178 406 L CA 0.802 55.640 54.840 -0.005 0.000 0.907 406 L CB 0.454 42.508 42.059 -0.009 0.000 1.164 406 L HN 0.068 nan 8.230 nan 0.000 0.482 407 Q N 3.462 123.232 119.800 -0.050 0.000 2.423 407 Q HA 0.272 4.612 4.340 0.000 0.000 0.231 407 Q C -0.618 175.360 176.000 -0.036 0.000 0.894 407 Q CA 0.373 56.148 55.803 -0.046 0.000 0.938 407 Q CB 1.132 29.855 28.738 -0.024 0.000 1.079 407 Q HN 0.558 nan 8.270 nan 0.000 0.552 408 V N 0.297 120.188 119.914 -0.038 0.000 2.891 408 V HA 0.432 4.552 4.120 0.000 0.000 0.304 408 V C -1.938 174.134 176.094 -0.036 0.000 1.171 408 V CA -0.751 61.537 62.300 -0.020 0.000 0.943 408 V CB 1.893 33.712 31.823 -0.005 0.000 1.037 408 V HN 0.091 nan 8.190 nan 0.000 0.427 409 I N 7.566 128.131 120.570 -0.009 0.000 2.355 409 I HA 0.573 4.743 4.170 0.000 0.000 0.288 409 I C 1.145 177.280 176.117 0.030 0.000 0.999 409 I CA -0.866 60.429 61.300 -0.009 0.000 1.163 409 I CB 1.779 39.782 38.000 0.005 0.000 1.316 409 I HN 0.644 nan 8.210 nan 0.000 0.454 410 R N 4.149 124.650 120.500 0.002 0.000 2.090 410 R HA 0.023 4.363 4.340 0.000 0.000 0.228 410 R C 1.473 177.795 176.300 0.036 0.000 1.110 410 R CA 0.957 57.063 56.100 0.011 0.000 0.973 410 R CB -0.412 29.863 30.300 -0.042 0.000 0.869 410 R HN 1.018 nan 8.270 nan 0.000 0.440 411 G N 1.880 110.708 108.800 0.047 0.000 2.225 411 G HA2 -0.337 3.623 3.960 0.000 0.000 0.267 411 G HA3 -0.337 3.623 3.960 0.000 0.000 0.267 411 G C 0.816 175.734 174.900 0.030 0.000 1.024 411 G CA 0.763 45.910 45.100 0.077 0.000 0.784 411 G HN 0.333 nan 8.290 nan 0.000 0.507 412 R N -0.930 119.563 120.500 -0.012 0.000 2.193 412 R HA 0.041 4.381 4.340 0.000 0.000 0.229 412 R C 1.000 177.297 176.300 -0.005 0.000 1.110 412 R CA 1.127 57.189 56.100 -0.064 0.000 0.988 412 R CB 0.011 30.261 30.300 -0.083 0.000 0.871 412 R HN 0.582 nan 8.270 nan 0.000 0.458 413 I N 0.991 121.599 120.570 0.063 0.000 2.545 413 I HA 0.313 4.484 4.170 0.000 0.000 0.292 413 I C -0.635 175.625 176.117 0.237 0.000 1.040 413 I CA -0.753 60.626 61.300 0.131 0.000 1.068 413 I CB 2.149 40.246 38.000 0.162 0.000 1.251 413 I HN -0.189 nan 8.210 nan 0.000 0.424 414 L N 4.092 125.401 121.223 0.144 0.000 2.354 414 L HA 0.472 4.812 4.340 0.000 0.000 0.269 414 L C -0.321 176.414 176.870 -0.225 0.000 1.005 414 L CA -0.973 53.894 54.840 0.044 0.000 0.819 414 L CB 1.700 43.747 42.059 -0.021 0.000 1.311 414 L HN 0.529 nan 8.230 nan 0.000 0.423 415 H N 3.190 121.859 119.070 -0.667 0.000 3.004 415 H HA 0.025 4.581 4.556 0.000 0.000 0.316 415 H C 0.545 175.764 175.328 -0.183 0.000 1.014 415 H CA 0.882 56.495 56.048 -0.725 0.000 1.454 415 H CB 0.364 29.759 29.762 -0.612 0.000 1.472 415 H HN 0.594 nan 8.280 nan 0.000 0.571 416 N N 3.460 121.779 118.700 -0.635 0.000 2.708 416 N HA -0.207 4.533 4.740 0.000 0.000 0.251 416 N C 1.060 176.497 175.510 -0.120 0.000 1.123 416 N CA 1.632 54.528 53.050 -0.257 0.000 0.739 416 N CB -1.353 37.142 38.487 0.013 0.000 1.113 416 N HN 1.064 nan 8.380 nan 0.000 0.561 417 G N -2.413 106.302 108.800 -0.141 0.000 2.179 417 G HA2 -0.231 3.729 3.960 0.000 0.000 0.260 417 G HA3 -0.231 3.729 3.960 0.000 0.000 0.260 417 G C 0.810 175.614 174.900 -0.160 0.000 0.977 417 G CA 1.387 46.425 45.100 -0.103 0.000 0.641 417 G HN 1.112 nan 8.290 nan 0.000 0.533 418 A N -1.248 121.424 122.820 -0.247 0.000 1.971 418 A HA 0.685 5.005 4.320 0.000 0.000 0.200 418 A C 0.481 177.770 177.584 -0.492 0.000 1.658 418 A CA 0.683 52.420 52.037 -0.500 0.000 0.962 418 A CB 0.418 18.874 19.000 -0.908 0.000 1.053 418 A HN 0.646 nan 8.150 nan 0.000 0.533 419 Y N 1.043 121.342 120.300 -0.001 0.000 2.331 419 Y HA 0.397 4.947 4.550 -0.000 0.000 0.338 419 Y C 1.488 177.409 175.900 0.034 0.000 0.992 419 Y CA -0.125 57.986 58.100 0.018 0.000 1.121 419 Y CB 1.684 40.172 38.460 0.048 0.000 1.184 419 Y HN 0.252 nan 8.280 nan 0.000 0.469 420 S N 1.960 117.779 115.700 0.199 0.000 2.470 420 S HA 0.140 4.610 4.470 0.000 0.000 0.222 420 S C -0.051 174.681 174.600 0.219 0.000 1.024 420 S CA 0.091 58.416 58.200 0.208 0.000 0.931 420 S CB 0.286 63.586 63.200 0.166 0.000 0.791 420 S HN 0.463 nan 8.310 nan 0.000 0.513 421 L N 1.865 123.201 121.223 0.189 0.000 2.385 421 L HA 0.702 5.042 4.340 0.000 0.000 0.273 421 L C -1.578 175.328 176.870 0.059 0.000 0.990 421 L CA 0.149 55.062 54.840 0.121 0.000 0.821 421 L CB 2.112 44.243 42.059 0.119 0.000 1.279 421 L HN 0.111 nan 8.230 nan 0.000 0.412 422 T N 6.073 120.615 114.554 -0.020 0.000 3.109 422 T HA 0.594 4.944 4.350 0.000 0.000 0.311 422 T C -0.961 173.570 174.700 -0.282 0.000 1.011 422 T CA -0.344 61.654 62.100 -0.169 0.000 1.026 422 T CB 0.915 69.650 68.868 -0.221 0.000 1.047 422 T HN 0.449 nan 8.240 nan 0.000 0.448 423 L N 4.175 125.238 121.223 -0.266 0.000 2.404 423 L HA 0.662 5.002 4.340 0.000 0.000 0.272 423 L C -0.496 176.175 176.870 -0.332 0.000 0.980 423 L CA -0.817 53.855 54.840 -0.281 0.000 0.836 423 L CB 1.807 43.750 42.059 -0.194 0.000 1.238 423 L HN 0.702 nan 8.230 nan 0.000 0.408 424 Q N 1.735 121.304 119.800 -0.384 0.000 2.320 424 Q HA 0.586 4.926 4.340 0.000 0.000 0.272 424 Q C 0.196 176.020 176.000 -0.294 0.000 1.023 424 Q CA -0.411 55.095 55.803 -0.495 0.000 0.855 424 Q CB 2.237 30.542 28.738 -0.723 0.000 1.367 424 Q HN 0.714 nan 8.270 nan 0.000 0.406 425 G N 1.832 110.501 108.800 -0.219 0.000 2.160 425 G HA2 -0.258 3.702 3.960 0.000 0.000 0.251 425 G HA3 -0.258 3.702 3.960 0.000 0.000 0.251 425 G C 0.190 175.067 174.900 -0.039 0.000 1.008 425 G CA 0.663 45.706 45.100 -0.094 0.000 0.724 425 G HN 0.581 nan 8.290 nan 0.000 0.514 426 L N -0.127 121.067 121.223 -0.049 0.000 2.316 426 L HA 0.337 4.677 4.340 0.000 0.000 0.207 426 L C 2.285 179.178 176.870 0.038 0.000 1.070 426 L CA 0.518 55.355 54.840 -0.005 0.000 0.820 426 L CB -0.520 41.500 42.059 -0.064 0.000 0.992 426 L HN 0.805 nan 8.230 nan 0.000 0.466 427 G N 2.852 111.683 108.800 0.052 0.000 2.424 427 G HA2 -0.280 3.680 3.960 0.000 0.000 0.294 427 G HA3 -0.280 3.680 3.960 0.000 0.000 0.294 427 G C 0.405 175.364 174.900 0.098 0.000 0.939 427 G CA 0.692 45.889 45.100 0.162 0.000 1.143 427 G HN 0.486 nan 8.290 nan 0.000 0.507 428 I N -2.742 117.834 120.570 0.010 0.000 3.437 428 I HA 0.536 4.706 4.170 0.000 0.000 0.274 428 I C 1.311 177.411 176.117 -0.028 0.000 1.215 428 I CA -0.037 61.218 61.300 -0.074 0.000 1.215 428 I CB 0.505 38.394 38.000 -0.186 0.000 1.441 428 I HN -0.035 nan 8.210 nan 0.000 0.677 429 S N -0.716 114.904 115.700 -0.133 0.000 2.575 429 S HA 0.234 4.704 4.470 0.000 0.000 0.230 429 S C -0.423 174.406 174.600 0.382 0.000 1.062 429 S CA -0.229 58.035 58.200 0.106 0.000 0.913 429 S CB 0.029 63.302 63.200 0.121 0.000 0.837 429 S HN 0.831 nan 8.310 nan 0.000 0.487 430 W N -0.920 120.473 121.300 0.155 0.000 2.961 430 W HA 0.664 5.324 4.660 0.000 0.000 0.368 430 W C -0.365 176.214 176.519 0.101 0.000 1.213 430 W CA -0.874 56.577 57.345 0.177 0.000 1.173 430 W CB 0.070 29.570 29.460 0.067 0.000 1.487 430 W HN -0.238 nan 8.180 nan 0.000 0.585 431 L N 1.117 122.557 121.223 0.363 0.000 2.185 431 L HA 0.307 4.648 4.340 0.000 0.000 0.198 431 L C 1.831 178.802 176.870 0.169 0.000 1.079 431 L CA 0.929 55.897 54.840 0.214 0.000 0.780 431 L CB -0.850 41.457 42.059 0.414 0.000 0.955 431 L HN 1.164 nan 8.230 nan 0.000 0.462 432 G N 0.772 109.793 108.800 0.368 0.000 2.160 432 G HA2 -0.276 3.684 3.960 0.000 0.000 0.251 432 G HA3 -0.276 3.684 3.960 0.000 0.000 0.251 432 G C 0.355 175.176 174.900 -0.130 0.000 1.008 432 G CA -0.037 45.195 45.100 0.220 0.000 0.724 432 G HN 0.249 nan 8.290 nan 0.000 0.514 433 L N 0.837 121.792 121.223 -0.447 0.000 2.672 433 L HA 0.187 4.527 4.340 0.000 0.000 0.238 433 L C 2.360 178.440 176.870 -1.316 0.000 1.392 433 L CA 0.185 54.562 54.840 -0.772 0.000 1.238 433 L CB -0.283 41.280 42.059 -0.826 0.000 1.548 433 L HN 0.527 nan 8.230 nan 0.000 0.423 434 R N -1.728 118.286 120.500 -0.810 0.000 2.152 434 R HA -0.085 4.255 4.340 0.000 0.000 0.232 434 R C 1.419 177.465 176.300 -0.423 0.000 1.117 434 R CA 1.348 57.032 56.100 -0.692 0.000 0.981 434 R CB -0.305 29.870 30.300 -0.209 0.000 0.870 434 R HN 0.238 nan 8.270 nan 0.000 0.451 435 S N 0.780 116.280 115.700 -0.333 0.000 2.593 435 S HA 0.094 4.564 4.470 0.000 0.000 0.217 435 S C 0.283 174.778 174.600 -0.175 0.000 0.966 435 S CA -0.419 57.676 58.200 -0.176 0.000 0.914 435 S CB 0.031 63.166 63.200 -0.107 0.000 0.776 435 S HN 0.179 nan 8.310 nan 0.000 0.523 436 L N 3.980 125.007 121.223 -0.327 0.000 2.456 436 L HA 0.185 4.525 4.340 0.000 0.000 0.277 436 L C 1.148 178.006 176.870 -0.020 0.000 1.124 436 L CA 0.228 54.943 54.840 -0.209 0.000 0.880 436 L CB 0.286 42.130 42.059 -0.359 0.000 1.192 436 L HN 0.168 nan 8.230 nan 0.000 0.463 437 R N 2.766 123.265 120.500 -0.001 0.000 2.344 437 R HA 0.295 4.635 4.340 0.000 0.000 0.209 437 R C -0.038 176.279 176.300 0.027 0.000 0.886 437 R CA -0.098 56.018 56.100 0.026 0.000 1.040 437 R CB 0.338 30.649 30.300 0.019 0.000 1.114 437 R HN 0.579 nan 8.270 nan 0.000 0.547 438 E N 1.263 121.485 120.200 0.038 0.000 2.291 438 E HA 0.260 4.610 4.350 0.000 0.000 0.276 438 E C -1.492 175.163 176.600 0.092 0.000 0.896 438 E CA -0.693 55.747 56.400 0.068 0.000 0.774 438 E CB 1.826 31.582 29.700 0.092 0.000 1.227 438 E HN 0.156 nan 8.360 nan 0.000 0.413 439 L N 5.102 126.406 121.223 0.136 0.000 2.314 439 L HA 0.374 4.714 4.340 0.000 0.000 0.275 439 L C 1.390 178.392 176.870 0.219 0.000 1.068 439 L CA -0.346 54.610 54.840 0.193 0.000 0.894 439 L CB 1.121 43.357 42.059 0.295 0.000 1.275 439 L HN 0.969 nan 8.230 nan 0.000 0.432 440 G N 1.878 110.789 108.800 0.185 0.000 2.462 440 G HA2 -0.134 3.827 3.960 0.000 0.000 0.220 440 G HA3 -0.134 3.827 3.960 0.000 0.000 0.220 440 G C 0.590 175.630 174.900 0.233 0.000 1.121 440 G CA 1.000 46.249 45.100 0.249 0.000 0.758 440 G HN 0.609 nan 8.290 nan 0.000 0.559 441 S N -3.263 112.536 115.700 0.165 0.000 2.627 441 S HA 0.610 5.080 4.470 0.000 0.000 0.268 441 S C -0.268 174.384 174.600 0.086 0.000 1.130 441 S CA 0.368 58.637 58.200 0.116 0.000 0.819 441 S CB 1.293 64.546 63.200 0.088 0.000 1.100 441 S HN 2.040 nan 8.310 nan 0.000 0.465 442 G N -0.135 108.678 108.800 0.021 0.000 2.712 442 G HA2 0.132 4.092 3.960 0.000 0.000 0.683 442 G HA3 0.132 4.092 3.960 0.000 0.000 0.683 442 G C -1.338 173.543 174.900 -0.031 0.000 1.320 442 G CA -0.423 44.667 45.100 -0.016 0.000 0.847 442 G HN 1.221 nan 8.290 nan 0.000 0.553 443 L N 0.425 121.619 121.223 -0.048 0.000 2.334 443 L HA 0.773 5.113 4.340 0.000 0.000 0.272 443 L C 0.931 177.909 176.870 0.180 0.000 1.020 443 L CA -0.350 54.474 54.840 -0.026 0.000 0.812 443 L CB 1.956 43.958 42.059 -0.094 0.000 1.264 443 L HN 1.305 nan 8.230 nan 0.000 0.439 444 A N 3.426 126.326 122.820 0.133 0.000 2.253 444 A HA 0.599 4.919 4.320 0.000 0.000 0.316 444 A C -1.044 176.523 177.584 -0.027 0.000 1.327 444 A CA -0.332 51.749 52.037 0.073 0.000 0.917 444 A CB 0.544 19.539 19.000 -0.009 0.000 1.162 444 A HN 0.498 nan 8.150 nan 0.000 0.535 445 L N 4.535 125.722 121.223 -0.060 0.000 2.295 445 L HA 0.664 5.005 4.340 0.000 0.000 0.281 445 L C -1.128 175.671 176.870 -0.119 0.000 1.018 445 L CA -0.093 54.651 54.840 -0.160 0.000 0.841 445 L CB 0.493 42.254 42.059 -0.496 0.000 1.218 445 L HN 0.560 nan 8.230 nan 0.000 0.424 446 I N 5.959 126.479 120.570 -0.084 0.000 2.437 446 I HA 0.411 4.581 4.170 0.000 0.000 0.279 446 I C -0.881 175.247 176.117 0.019 0.000 1.028 446 I CA -0.479 60.777 61.300 -0.074 0.000 1.142 446 I CB 0.770 38.702 38.000 -0.113 0.000 1.266 446 I HN 0.785 nan 8.210 nan 0.000 0.461 447 H N 2.067 121.077 119.070 -0.101 0.000 2.980 447 H HA 0.540 5.096 4.556 0.000 0.000 0.367 447 H C -0.544 174.771 175.328 -0.023 0.000 1.206 447 H CA -1.037 54.953 56.048 -0.097 0.000 1.126 447 H CB 0.880 30.585 29.762 -0.094 0.000 1.838 447 H HN 0.516 nan 8.280 nan 0.000 0.552 448 H N 0.009 119.052 119.070 -0.045 0.000 2.819 448 H HA -0.143 4.413 4.556 0.000 0.000 0.315 448 H C -0.928 174.319 175.328 -0.134 0.000 1.242 448 H CA 0.727 56.725 56.048 -0.082 0.000 1.157 448 H CB -1.374 28.353 29.762 -0.058 0.000 1.451 448 H HN 0.674 nan 8.280 nan 0.000 0.430 449 N N 0.403 119.082 118.700 -0.036 0.000 2.851 449 N HA 0.077 4.817 4.740 0.000 0.000 0.248 449 N C 0.826 176.315 175.510 -0.034 0.000 1.221 449 N CA 0.129 53.160 53.050 -0.031 0.000 0.847 449 N CB 1.243 39.705 38.487 -0.042 0.000 1.150 449 N HN 0.260 nan 8.380 nan 0.000 0.507 450 T N 0.216 114.719 114.554 -0.085 0.000 2.684 450 T HA -0.215 4.135 4.350 0.000 0.000 0.267 450 T C 0.798 175.325 174.700 -0.289 0.000 1.032 450 T CA 1.782 63.735 62.100 -0.244 0.000 1.155 450 T CB -0.157 68.412 68.868 -0.497 0.000 0.857 450 T HN 0.596 nan 8.240 nan 0.000 0.457 451 H N -0.921 118.170 119.070 0.035 0.000 2.520 451 H HA 0.392 4.948 4.556 0.000 0.000 0.284 451 H C -0.204 175.173 175.328 0.082 0.000 1.037 451 H CA -0.525 55.556 56.048 0.055 0.000 1.168 451 H CB 0.189 29.980 29.762 0.049 0.000 1.497 451 H HN 0.104 nan 8.280 nan 0.000 0.547 452 L N 1.591 122.895 121.223 0.135 0.000 2.295 452 L HA 0.225 4.565 4.340 0.000 0.000 0.288 452 L C -0.299 176.658 176.870 0.145 0.000 1.079 452 L CA -0.221 54.707 54.840 0.147 0.000 0.830 452 L CB -0.743 41.366 42.059 0.084 0.000 1.200 452 L HN 0.265 nan 8.230 nan 0.000 0.438 453 c N 3.253 121.980 118.600 0.212 0.000 2.576 453 c HA 0.464 5.034 4.570 0.000 0.000 0.394 453 c C 0.649 174.892 174.090 0.255 0.000 1.876 453 c CA -0.490 55.907 56.329 0.113 0.000 1.858 453 c CB 0.341 42.825 42.510 -0.044 0.000 1.943 453 c HN 0.853 nan 8.230 nan 0.000 0.479 454 F N -0.642 119.376 119.950 0.113 0.000 3.091 454 F HA -0.194 4.333 4.527 0.000 0.000 0.288 454 F C 0.965 176.798 175.800 0.055 0.000 0.907 454 F CA 0.259 58.308 58.000 0.083 0.000 1.028 454 F CB -1.657 37.426 39.000 0.140 0.000 1.022 454 F HN 0.339 nan 8.300 nan 0.000 0.665 455 V N -1.075 118.918 119.914 0.131 0.000 2.436 455 V HA -0.124 3.996 4.120 0.000 0.000 0.240 455 V C 2.077 178.183 176.094 0.019 0.000 1.040 455 V CA 1.702 64.046 62.300 0.073 0.000 1.052 455 V CB -0.302 31.454 31.823 -0.112 0.000 0.707 455 V HN 0.408 nan 8.190 nan 0.000 0.469 456 H N -0.546 118.569 119.070 0.076 0.000 2.547 456 H HA 0.051 4.607 4.556 0.000 0.000 0.266 456 H C 2.166 177.496 175.328 0.004 0.000 0.988 456 H CA 1.075 57.152 56.048 0.047 0.000 1.147 456 H CB 0.178 29.935 29.762 -0.007 0.000 1.365 456 H HN 0.330 nan 8.280 nan 0.000 0.589 457 T N 0.323 114.911 114.554 0.057 0.000 3.088 457 T HA 0.044 4.394 4.350 0.000 0.000 0.259 457 T C 0.742 175.332 174.700 -0.183 0.000 1.122 457 T CA 0.006 62.117 62.100 0.017 0.000 1.095 457 T CB -0.186 68.760 68.868 0.129 0.000 0.930 457 T HN -0.081 nan 8.240 nan 0.000 0.508 458 V N 4.570 124.201 119.914 -0.473 0.000 2.546 458 V HA 0.342 4.462 4.120 0.000 0.000 0.284 458 V C -2.068 173.408 176.094 -1.030 0.000 1.050 458 V CA -1.809 59.818 62.300 -1.123 0.000 0.981 458 V CB 1.371 32.024 31.823 -1.950 0.000 0.990 458 V HN 0.242 nan 8.190 nan 0.000 0.474 459 P HA 0.124 nan 4.420 nan 0.000 0.232 459 P C 0.313 177.238 177.300 -0.626 0.000 1.814 459 P CA -0.270 62.337 63.100 -0.823 0.000 1.085 459 P CB 0.014 31.066 31.700 -1.080 0.000 1.901 460 W N 2.217 123.285 121.300 -0.387 0.000 2.317 460 W HA -0.244 4.416 4.660 0.000 0.000 0.318 460 W C 1.721 177.865 176.519 -0.624 0.000 1.227 460 W CA 1.965 59.013 57.345 -0.495 0.000 1.269 460 W CB -0.939 28.307 29.460 -0.357 0.000 1.155 460 W HN 0.287 nan 8.180 nan 0.000 0.484 461 D N -0.574 119.782 120.400 -0.074 0.000 2.378 461 D HA -0.146 4.494 4.640 0.000 0.000 0.227 461 D C 1.517 177.793 176.300 -0.040 0.000 1.012 461 D CA 0.797 54.825 54.000 0.046 0.000 0.905 461 D CB -0.920 40.020 40.800 0.233 0.000 0.895 461 D HN 0.288 nan 8.370 nan 0.000 0.532 462 Q N -0.717 118.994 119.800 -0.149 0.000 2.297 462 Q HA 0.036 4.376 4.340 0.000 0.000 0.204 462 Q C 1.043 176.975 176.000 -0.114 0.000 0.962 462 Q CA 0.512 56.241 55.803 -0.124 0.000 0.879 462 Q CB 0.161 28.799 28.738 -0.168 0.000 0.947 462 Q HN 0.266 nan 8.270 nan 0.000 0.462 463 L N -1.297 119.806 121.223 -0.199 0.000 2.354 463 L HA 0.109 4.449 4.340 0.000 0.000 0.212 463 L C 0.429 177.269 176.870 -0.051 0.000 1.091 463 L CA 0.773 55.526 54.840 -0.144 0.000 0.828 463 L CB -0.166 41.782 42.059 -0.184 0.000 0.973 463 L HN 0.034 nan 8.230 nan 0.000 0.461 464 F N -0.885 119.105 119.950 0.068 0.000 2.440 464 F HA 0.171 4.698 4.527 0.000 0.000 0.323 464 F C 1.564 177.349 175.800 -0.025 0.000 1.192 464 F CA -0.362 57.661 58.000 0.038 0.000 1.252 464 F CB 0.541 39.562 39.000 0.035 0.000 1.214 464 F HN -0.229 nan 8.300 nan 0.000 0.578 465 R N 0.179 120.776 120.500 0.161 0.000 2.507 465 R HA 0.152 4.492 4.340 0.000 0.000 0.230 465 R C -1.132 175.100 176.300 -0.115 0.000 0.897 465 R CA -0.211 55.832 56.100 -0.095 0.000 1.006 465 R CB -0.083 30.052 30.300 -0.274 0.000 1.341 465 R HN 0.776 nan 8.270 nan 0.000 0.604 466 N N -1.264 117.429 118.700 -0.012 0.000 2.321 466 N HA 0.343 5.084 4.740 0.000 0.000 0.290 466 N C -2.356 173.157 175.510 0.005 0.000 1.212 466 N CA -1.557 51.501 53.050 0.013 0.000 0.767 466 N CB 2.002 40.535 38.487 0.077 0.000 1.494 466 N HN -0.324 nan 8.380 nan 0.000 0.479 467 P HA -0.162 nan 4.420 nan 0.000 0.228 467 P C -0.046 177.150 177.300 -0.174 0.000 1.151 467 P CA 1.218 64.264 63.100 -0.089 0.000 0.770 467 P CB -0.071 31.556 31.700 -0.121 0.000 0.786 468 H N -0.643 118.377 119.070 -0.083 0.000 2.543 468 H HA 0.192 4.748 4.556 0.000 0.000 0.269 468 H C 0.578 175.768 175.328 -0.229 0.000 1.005 468 H CA 0.324 56.305 56.048 -0.111 0.000 1.146 468 H CB 0.212 29.908 29.762 -0.111 0.000 1.353 468 H HN 0.393 nan 8.280 nan 0.000 0.595 469 Q N 0.298 119.930 119.800 -0.280 0.000 2.306 469 Q HA 0.709 5.049 4.340 0.000 0.000 0.265 469 Q C -0.765 174.613 176.000 -1.037 0.000 1.022 469 Q CA -0.757 54.648 55.803 -0.664 0.000 0.853 469 Q CB 2.963 31.234 28.738 -0.779 0.000 1.327 469 Q HN 0.273 nan 8.270 nan 0.000 0.449 470 A N 1.335 123.454 122.820 -1.168 0.000 2.586 470 A HA 0.569 4.889 4.320 0.000 0.000 0.290 470 A C -2.159 175.201 177.584 -0.373 0.000 1.086 470 A CA -0.665 50.876 52.037 -0.827 0.000 0.665 470 A CB 1.094 19.517 19.000 -0.963 0.000 1.279 470 A HN 0.524 nan 8.150 nan 0.000 0.423 471 L N 1.035 122.217 121.223 -0.068 0.000 2.275 471 L HA 0.674 5.014 4.340 0.000 0.000 0.288 471 L C -1.024 175.815 176.870 -0.050 0.000 1.046 471 L CA -0.226 54.526 54.840 -0.147 0.000 0.805 471 L CB 0.429 42.185 42.059 -0.505 0.000 1.193 471 L HN 0.519 nan 8.230 nan 0.000 0.426 472 L N 6.726 127.919 121.223 -0.050 0.000 2.287 472 L HA 0.536 4.876 4.340 0.000 0.000 0.287 472 L C -0.702 176.174 176.870 0.011 0.000 1.022 472 L CA -0.669 54.166 54.840 -0.009 0.000 0.814 472 L CB 0.942 42.993 42.059 -0.014 0.000 1.217 472 L HN 0.712 nan 8.230 nan 0.000 0.420 473 H N 0.927 119.938 119.070 -0.099 0.000 2.947 473 H HA 0.627 5.184 4.556 0.000 0.000 0.354 473 H C -1.618 173.680 175.328 -0.049 0.000 1.085 473 H CA -0.631 55.361 56.048 -0.093 0.000 1.253 473 H CB 2.309 31.981 29.762 -0.151 0.000 1.757 473 H HN 0.488 nan 8.280 nan 0.000 0.523 474 T N 1.252 115.765 114.554 -0.069 0.000 2.885 474 T HA 0.495 4.845 4.350 0.000 0.000 0.322 474 T C -0.230 174.366 174.700 -0.172 0.000 1.387 474 T CA 0.821 62.838 62.100 -0.138 0.000 1.041 474 T CB 0.520 69.278 68.868 -0.183 0.000 1.287 474 T HN 1.524 nan 8.240 nan 0.000 0.491 475 A N 2.427 125.134 122.820 -0.189 0.000 2.872 475 A HA -0.139 4.181 4.320 0.000 0.000 0.273 475 A C 0.406 177.893 177.584 -0.161 0.000 1.442 475 A CA 1.104 52.982 52.037 -0.264 0.000 0.801 475 A CB -2.529 16.027 19.000 -0.740 0.000 1.031 475 A HN 0.787 nan 8.150 nan 0.000 0.582 476 N N -0.644 118.018 118.700 -0.064 0.000 2.495 476 N HA 0.381 5.121 4.740 0.000 0.000 0.294 476 N C 0.503 176.004 175.510 -0.015 0.000 1.276 476 N CA -0.553 52.481 53.050 -0.027 0.000 0.973 476 N CB 0.230 38.724 38.487 0.011 0.000 1.143 476 N HN 0.603 nan 8.380 nan 0.000 0.589 477 R N 0.789 121.288 120.500 -0.001 0.000 2.570 477 R HA 0.127 4.467 4.340 0.000 0.000 0.277 477 R C -2.194 174.115 176.300 0.016 0.000 1.039 477 R CA -0.710 55.390 56.100 -0.001 0.000 1.065 477 R CB -0.021 30.294 30.300 0.026 0.000 0.964 477 R HN 0.327 nan 8.270 nan 0.000 0.428 478 P HA 0.042 nan 4.420 nan 0.000 0.275 478 P C -0.180 177.128 177.300 0.012 0.000 1.227 478 P CA -0.291 62.819 63.100 0.017 0.000 0.781 478 P CB 1.008 32.711 31.700 0.005 0.000 0.906 479 E N 2.128 122.340 120.200 0.021 0.000 2.085 479 E HA -0.212 4.138 4.350 0.000 0.000 0.194 479 E C 1.186 177.773 176.600 -0.022 0.000 0.994 479 E CA 1.799 58.200 56.400 0.002 0.000 0.801 479 E CB -0.375 29.333 29.700 0.013 0.000 0.743 479 E HN 0.637 nan 8.360 nan 0.000 0.453 480 D N 0.210 120.601 120.400 -0.015 0.000 2.149 480 D HA -0.191 4.449 4.640 0.000 0.000 0.198 480 D C 1.655 177.944 176.300 -0.019 0.000 0.990 480 D CA 1.261 55.250 54.000 -0.019 0.000 0.839 480 D CB -0.559 40.234 40.800 -0.013 0.000 0.948 480 D HN 0.188 nan 8.370 nan 0.000 0.460 481 E N -0.863 119.329 120.200 -0.012 0.000 2.268 481 E HA -0.066 4.284 4.350 0.000 0.000 0.195 481 E C 1.678 178.270 176.600 -0.015 0.000 0.995 481 E CA 0.857 57.254 56.400 -0.005 0.000 0.836 481 E CB 0.018 29.721 29.700 0.005 0.000 0.763 481 E HN 0.411 nan 8.360 nan 0.000 0.491 482 c N -0.695 117.881 118.600 -0.040 0.000 2.500 482 c HA -0.008 4.562 4.570 0.000 0.000 0.279 482 c C 2.583 176.615 174.090 -0.098 0.000 1.288 482 c CA -0.026 56.251 56.329 -0.087 0.000 1.710 482 c CB -0.681 41.734 42.510 -0.158 0.000 2.052 482 c HN 0.284 nan 8.230 nan 0.000 0.488 483 V N 1.744 121.608 119.914 -0.083 0.000 2.427 483 V HA -0.007 4.113 4.120 0.000 0.000 0.248 483 V C 2.206 178.273 176.094 -0.045 0.000 1.051 483 V CA 2.347 64.604 62.300 -0.071 0.000 1.048 483 V CB -0.901 30.886 31.823 -0.059 0.000 0.666 483 V HN 0.595 nan 8.190 nan 0.000 0.456 484 G N -0.920 107.861 108.800 -0.032 0.000 2.882 484 G HA2 -0.049 3.911 3.960 0.000 0.000 0.206 484 G HA3 -0.049 3.911 3.960 0.000 0.000 0.206 484 G C 0.916 175.810 174.900 -0.009 0.000 1.155 484 G CA 0.427 45.517 45.100 -0.018 0.000 0.800 484 G HN 0.660 nan 8.290 nan 0.000 0.524 485 E N -0.717 119.475 120.200 -0.012 0.000 2.714 485 E HA 0.248 4.598 4.350 0.000 0.000 0.219 485 E C 1.306 177.906 176.600 -0.002 0.000 0.979 485 E CA -0.011 56.391 56.400 0.002 0.000 1.092 485 E CB 0.766 30.479 29.700 0.021 0.000 1.049 485 E HN 0.256 nan 8.360 nan 0.000 0.487 486 G N 2.118 110.906 108.800 -0.020 0.000 2.225 486 G HA2 -0.303 3.657 3.960 0.000 0.000 0.267 486 G HA3 -0.303 3.657 3.960 0.000 0.000 0.267 486 G C 0.213 175.103 174.900 -0.017 0.000 1.024 486 G CA 0.150 45.237 45.100 -0.022 0.000 0.784 486 G HN 0.257 nan 8.290 nan 0.000 0.507 487 L N 0.519 121.710 121.223 -0.052 0.000 2.375 487 L HA 0.616 4.956 4.340 0.000 0.000 0.276 487 L C 0.777 177.472 176.870 -0.292 0.000 1.162 487 L CA 0.359 55.138 54.840 -0.102 0.000 0.991 487 L CB 0.323 42.297 42.059 -0.142 0.000 1.315 487 L HN 0.460 nan 8.230 nan 0.000 0.431 488 A N 1.672 124.447 122.820 -0.076 0.000 2.583 488 A HA 0.588 4.908 4.320 0.000 0.000 0.289 488 A C -0.786 176.924 177.584 0.209 0.000 1.151 488 A CA -0.561 51.447 52.037 -0.049 0.000 0.695 488 A CB 1.051 20.018 19.000 -0.054 0.000 1.290 488 A HN 0.431 nan 8.150 nan 0.000 0.419 489 c N 2.057 120.768 118.600 0.186 0.000 2.634 489 c HA 0.235 4.805 4.570 0.000 0.000 0.418 489 c C 1.040 175.195 174.090 0.108 0.000 1.373 489 c CA -0.015 56.425 56.329 0.185 0.000 1.756 489 c CB -1.427 41.138 42.510 0.092 0.000 2.589 489 c HN 0.817 nan 8.230 nan 0.000 0.602 490 H N 3.028 122.108 119.070 0.017 0.000 3.092 490 H HA -0.064 4.492 4.556 0.000 0.000 0.332 490 H C 1.007 176.321 175.328 -0.023 0.000 1.029 490 H CA 0.956 56.994 56.048 -0.016 0.000 1.376 490 H CB 0.786 30.524 29.762 -0.041 0.000 1.329 490 H HN 0.677 nan 8.280 nan 0.000 0.598 491 Q N 4.578 124.217 119.800 -0.270 0.000 2.436 491 Q HA -0.053 4.287 4.340 0.000 0.000 0.209 491 Q C 2.309 178.332 176.000 0.038 0.000 0.965 491 Q CA 0.445 56.182 55.803 -0.110 0.000 0.910 491 Q CB 0.133 28.768 28.738 -0.172 0.000 0.980 491 Q HN 0.694 nan 8.270 nan 0.000 0.491 492 L N -0.219 121.169 121.223 0.275 0.000 2.313 492 L HA -0.025 4.315 4.340 0.000 0.000 0.214 492 L C 0.617 177.531 176.870 0.072 0.000 1.119 492 L CA -0.161 54.788 54.840 0.180 0.000 0.809 492 L CB 0.040 42.216 42.059 0.195 0.000 0.933 492 L HN 0.067 nan 8.230 nan 0.000 0.449 493 c N 1.751 120.396 118.600 0.075 0.000 2.648 493 c HA 0.409 4.979 4.570 0.000 0.000 0.415 493 c C 1.285 175.359 174.090 -0.028 0.000 1.366 493 c CA -1.631 54.705 56.329 0.011 0.000 1.756 493 c CB -0.713 41.806 42.510 0.015 0.000 2.549 493 c HN 0.423 nan 8.230 nan 0.000 0.597 494 A N 4.485 127.281 122.820 -0.040 0.000 2.555 494 A HA 0.327 4.647 4.320 0.000 0.000 0.233 494 A C 1.282 178.794 177.584 -0.121 0.000 1.060 494 A CA 0.189 52.188 52.037 -0.063 0.000 0.759 494 A CB 0.170 19.144 19.000 -0.044 0.000 0.995 494 A HN 1.007 nan 8.150 nan 0.000 0.506 495 R N 0.450 120.851 120.500 -0.165 0.000 4.010 495 R HA -0.247 4.093 4.340 0.000 0.000 0.409 495 R C 1.067 177.033 176.300 -0.557 0.000 1.120 495 R CA 1.848 57.752 56.100 -0.326 0.000 1.244 495 R CB -2.485 27.624 30.300 -0.319 0.000 1.799 495 R HN 2.631 nan 8.270 nan 0.000 0.559 496 G N 1.105 109.697 108.800 -0.347 0.000 2.225 496 G HA2 -0.293 3.667 3.960 0.000 0.000 0.264 496 G HA3 -0.293 3.667 3.960 0.000 0.000 0.264 496 G C -0.343 174.379 174.900 -0.298 0.000 1.060 496 G CA 0.675 45.609 45.100 -0.276 0.000 0.833 496 G HN 0.543 nan 8.290 nan 0.000 0.498 497 H N -0.541 118.477 119.070 -0.087 0.000 2.539 497 H HA 0.698 5.254 4.556 0.000 0.000 0.332 497 H C 0.605 175.831 175.328 -0.169 0.000 1.031 497 H CA -0.189 55.761 56.048 -0.163 0.000 1.206 497 H CB 1.153 30.798 29.762 -0.195 0.000 1.446 497 H HN 0.940 nan 8.280 nan 0.000 0.496 498 c N 0.744 119.282 118.600 -0.103 0.000 3.321 498 c HA 0.393 4.963 4.570 0.000 0.000 0.329 498 c C -0.151 173.785 174.090 -0.256 0.000 1.394 498 c CA -0.976 55.282 56.329 -0.120 0.000 1.291 498 c CB 0.794 43.293 42.510 -0.017 0.000 1.606 498 c HN 0.903 nan 8.230 nan 0.000 0.463 499 W N 1.126 122.345 121.300 -0.134 0.000 3.127 499 W HA 0.556 5.216 4.660 0.000 0.000 0.344 499 W C 1.134 177.517 176.519 -0.227 0.000 1.151 499 W CA 0.856 58.134 57.345 -0.113 0.000 1.765 499 W CB 0.767 30.176 29.460 -0.085 0.000 1.085 499 W HN 1.331 nan 8.180 nan 0.000 0.596 500 G N -0.503 107.959 108.800 -0.564 0.000 2.428 500 G HA2 0.319 4.279 3.960 0.000 0.000 0.304 500 G HA3 0.319 4.279 3.960 0.000 0.000 0.304 500 G C -3.145 170.681 174.900 -1.790 0.000 1.303 500 G CA -1.039 43.102 45.100 -1.599 0.000 0.825 500 G HN -0.445 nan 8.290 nan 0.000 0.484 501 P HA 0.541 nan 4.420 nan 0.000 0.276 501 P C 0.543 177.561 177.300 -0.471 0.000 1.244 501 P CA 1.143 63.821 63.100 -0.704 0.000 0.801 501 P CB 1.461 32.843 31.700 -0.529 0.000 1.006 502 G N 2.477 111.171 108.800 -0.177 0.000 2.712 502 G HA2 -0.109 3.851 3.960 0.000 0.000 0.683 502 G HA3 -0.109 3.851 3.960 0.000 0.000 0.683 502 G C -2.358 172.410 174.900 -0.220 0.000 1.320 502 G CA -0.280 44.742 45.100 -0.130 0.000 0.847 502 G HN 0.386 nan 8.290 nan 0.000 0.553 503 P HA 0.050 nan 4.420 nan 0.000 0.240 503 P C 1.689 178.834 177.300 -0.258 0.000 1.190 503 P CA 1.928 64.705 63.100 -0.537 0.000 0.781 503 P CB -0.019 31.255 31.700 -0.711 0.000 0.931 504 T N -3.238 111.203 114.554 -0.188 0.000 2.942 504 T HA -0.033 4.317 4.350 0.000 0.000 0.265 504 T C 1.647 176.294 174.700 -0.088 0.000 1.062 504 T CA 0.717 62.746 62.100 -0.118 0.000 1.139 504 T CB -0.743 68.072 68.868 -0.088 0.000 0.883 504 T HN -0.016 nan 8.240 nan 0.000 0.468 505 Q N 0.632 120.363 119.800 -0.113 0.000 2.431 505 Q HA 0.191 4.531 4.340 0.000 0.000 0.210 505 Q C 0.391 176.401 176.000 0.017 0.000 0.958 505 Q CA -0.080 55.687 55.803 -0.061 0.000 0.957 505 Q CB -1.024 27.595 28.738 -0.198 0.000 1.007 505 Q HN 0.602 nan 8.270 nan 0.000 0.511 506 c N -0.521 118.076 118.600 -0.005 0.000 2.604 506 c HA 0.144 4.714 4.570 0.000 0.000 0.396 506 c C 2.410 176.546 174.090 0.078 0.000 1.282 506 c CA -0.711 55.630 56.329 0.020 0.000 2.292 506 c CB 0.644 43.145 42.510 -0.015 0.000 2.633 506 c HN 0.198 nan 8.230 nan 0.000 0.620 507 V N 2.254 122.211 119.914 0.071 0.000 2.323 507 V HA -0.067 4.053 4.120 0.000 0.000 0.244 507 V C 0.502 176.622 176.094 0.043 0.000 1.041 507 V CA 1.738 64.090 62.300 0.086 0.000 1.025 507 V CB -0.442 31.406 31.823 0.042 0.000 0.656 507 V HN 0.891 nan 8.190 nan 0.000 0.451 508 N N -1.969 116.741 118.700 0.016 0.000 2.336 508 N HA 0.387 5.127 4.740 0.000 0.000 0.290 508 N C -1.115 174.374 175.510 -0.035 0.000 1.058 508 N CA -0.467 52.575 53.050 -0.012 0.000 0.865 508 N CB 1.744 40.224 38.487 -0.012 0.000 1.581 508 N HN 0.118 nan 8.380 nan 0.000 0.480 509 c N 1.397 119.961 118.600 -0.060 0.000 2.653 509 c HA 0.087 4.657 4.570 0.000 0.000 0.421 509 c C 2.218 176.253 174.090 -0.092 0.000 1.334 509 c CA -0.365 55.920 56.329 -0.073 0.000 1.885 509 c CB -0.136 42.319 42.510 -0.093 0.000 2.645 509 c HN 0.947 nan 8.230 nan 0.000 0.601 510 S N 2.325 117.979 115.700 -0.076 0.000 2.368 510 S HA -0.145 4.325 4.470 0.000 0.000 0.224 510 S C 1.317 175.815 174.600 -0.170 0.000 1.029 510 S CA 1.084 59.227 58.200 -0.095 0.000 0.988 510 S CB -0.092 63.072 63.200 -0.059 0.000 0.838 510 S HN 0.853 nan 8.310 nan 0.000 0.462 511 Q N 0.503 120.196 119.800 -0.178 0.000 2.263 511 Q HA 0.524 4.864 4.340 0.000 0.000 0.258 511 Q C -0.062 175.573 176.000 -0.608 0.000 0.993 511 Q CA 0.376 55.959 55.803 -0.367 0.000 0.820 511 Q CB -0.320 28.394 28.738 -0.040 0.000 1.737 511 Q HN 0.543 nan 8.270 nan 0.000 0.522 512 F N -0.683 119.227 119.950 -0.065 0.000 2.654 512 F HA 0.585 5.112 4.527 0.000 0.000 0.334 512 F C -0.608 175.109 175.800 -0.138 0.000 1.078 512 F CA -1.097 56.844 58.000 -0.098 0.000 0.986 512 F CB 1.218 40.173 39.000 -0.075 0.000 1.362 512 F HN 0.007 nan 8.300 nan 0.000 0.498 513 L N 1.707 122.929 121.223 -0.002 0.000 2.409 513 L HA 0.554 4.894 4.340 0.000 0.000 0.272 513 L C -0.922 175.900 176.870 -0.080 0.000 0.980 513 L CA -0.460 54.304 54.840 -0.127 0.000 0.826 513 L CB 1.596 43.456 42.059 -0.332 0.000 1.268 513 L HN 0.626 nan 8.230 nan 0.000 0.407 514 R N 4.183 124.658 120.500 -0.043 0.000 2.337 514 R HA 0.609 4.949 4.340 0.000 0.000 0.319 514 R C 0.564 176.855 176.300 -0.014 0.000 0.954 514 R CA 0.445 56.532 56.100 -0.021 0.000 0.840 514 R CB 0.890 31.170 30.300 -0.034 0.000 1.164 514 R HN 0.970 nan 8.270 nan 0.000 0.472 515 G N 2.926 111.737 108.800 0.019 0.000 2.596 515 G HA2 -0.361 3.599 3.960 0.000 0.000 0.304 515 G HA3 -0.361 3.599 3.960 0.000 0.000 0.304 515 G C 0.366 175.270 174.900 0.007 0.000 1.189 515 G CA 0.237 45.349 45.100 0.020 0.000 0.986 515 G HN 0.580 nan 8.290 nan 0.000 0.548 516 Q N 1.266 121.058 119.800 -0.014 0.000 2.319 516 Q HA 0.222 4.562 4.340 0.000 0.000 0.202 516 Q C 1.018 176.985 176.000 -0.056 0.000 0.896 516 Q CA 0.468 56.254 55.803 -0.029 0.000 0.942 516 Q CB 0.773 29.496 28.738 -0.024 0.000 1.083 516 Q HN 0.737 nan 8.270 nan 0.000 0.510 517 E N 0.500 120.663 120.200 -0.061 0.000 2.229 517 E HA 0.151 4.501 4.350 0.000 0.000 0.283 517 E C -0.853 175.692 176.600 -0.091 0.000 1.030 517 E CA -0.303 56.044 56.400 -0.087 0.000 0.836 517 E CB 0.859 30.513 29.700 -0.076 0.000 1.068 517 E HN 0.074 nan 8.360 nan 0.000 0.401 518 c N 4.669 123.194 118.600 -0.125 0.000 2.527 518 c HA 0.468 5.038 4.570 0.000 0.000 0.396 518 c C 0.080 174.125 174.090 -0.074 0.000 1.289 518 c CA -0.639 55.631 56.329 -0.098 0.000 2.047 518 c CB -0.662 41.777 42.510 -0.117 0.000 2.568 518 c HN 0.543 nan 8.230 nan 0.000 0.573 519 V N 1.625 121.544 119.914 0.009 0.000 3.114 519 V HA 0.556 4.676 4.120 0.000 0.000 0.308 519 V C 0.189 176.363 176.094 0.133 0.000 1.168 519 V CA -0.524 61.801 62.300 0.042 0.000 1.015 519 V CB 1.916 33.747 31.823 0.012 0.000 1.050 519 V HN 0.719 nan 8.190 nan 0.000 0.433 520 E N 0.896 121.164 120.200 0.112 0.000 2.152 520 E HA 0.147 4.497 4.350 0.000 0.000 0.192 520 E C 0.466 177.182 176.600 0.195 0.000 0.983 520 E CA 1.399 57.891 56.400 0.154 0.000 0.818 520 E CB 0.261 30.012 29.700 0.086 0.000 0.758 520 E HN 0.813 nan 8.360 nan 0.000 0.467 521 E N -0.895 119.309 120.200 0.007 0.000 2.343 521 E HA 0.209 4.559 4.350 0.000 0.000 0.286 521 E C -1.213 175.202 176.600 -0.307 0.000 0.915 521 E CA -0.639 55.626 56.400 -0.224 0.000 0.784 521 E CB 1.237 30.868 29.700 -0.114 0.000 1.251 521 E HN 0.102 nan 8.360 nan 0.000 0.407 522 c N 1.385 119.657 118.600 -0.546 0.000 2.633 522 c HA 0.293 4.863 4.570 0.000 0.000 0.345 522 c C 0.936 174.888 174.090 -0.230 0.000 1.384 522 c CA -0.438 55.682 56.329 -0.349 0.000 2.418 522 c CB -0.215 42.059 42.510 -0.394 0.000 2.425 522 c HN 0.615 nan 8.230 nan 0.000 0.705 523 R N 0.902 121.307 120.500 -0.158 0.000 3.956 523 R HA 0.232 4.572 4.340 0.000 0.000 0.237 523 R C 0.352 176.597 176.300 -0.092 0.000 1.552 523 R CA -0.109 55.926 56.100 -0.107 0.000 1.529 523 R CB 0.026 30.279 30.300 -0.078 0.000 1.376 523 R HN 0.592 nan 8.270 nan 0.000 0.733 524 V N 0.392 120.243 119.914 -0.105 0.000 2.599 524 V HA -0.090 4.030 4.120 0.000 0.000 0.245 524 V C 1.774 177.828 176.094 -0.065 0.000 1.046 524 V CA 1.216 63.469 62.300 -0.078 0.000 1.065 524 V CB -0.143 31.631 31.823 -0.081 0.000 0.703 524 V HN 0.513 nan 8.190 nan 0.000 0.464 525 L N -1.335 119.849 121.223 -0.064 0.000 2.526 525 L HA 0.284 4.624 4.340 0.000 0.000 0.210 525 L C 0.544 177.386 176.870 -0.046 0.000 1.048 525 L CA 0.419 55.229 54.840 -0.050 0.000 0.852 525 L CB 0.162 42.196 42.059 -0.042 0.000 1.128 525 L HN 0.265 nan 8.230 nan 0.000 0.482 526 Q N 0.068 119.838 119.800 -0.049 0.000 2.340 526 Q HA 0.670 5.010 4.340 0.000 0.000 0.268 526 Q C -0.596 175.377 176.000 -0.046 0.000 1.031 526 Q CA -0.480 55.298 55.803 -0.042 0.000 0.804 526 Q CB 2.552 31.268 28.738 -0.036 0.000 1.286 526 Q HN 0.184 nan 8.270 nan 0.000 0.448 527 G N 0.714 109.491 108.800 -0.039 0.000 2.368 527 G HA2 0.090 4.050 3.960 0.000 0.000 0.301 527 G HA3 0.090 4.050 3.960 0.000 0.000 0.301 527 G C -0.467 174.414 174.900 -0.032 0.000 1.640 527 G CA -0.886 44.191 45.100 -0.039 0.000 0.941 527 G HN 0.577 nan 8.290 nan 0.000 0.695 528 L N 0.409 121.615 121.223 -0.029 0.000 1.988 528 L HA 0.146 4.486 4.340 0.000 0.000 0.207 528 L C -0.665 176.192 176.870 -0.023 0.000 1.071 528 L CA 1.359 56.185 54.840 -0.024 0.000 0.744 528 L CB -0.421 41.625 42.059 -0.021 0.000 0.893 528 L HN 0.500 nan 8.230 nan 0.000 0.433 529 P HA 0.244 nan 4.420 nan 0.000 0.300 529 P C -1.063 176.222 177.300 -0.024 0.000 1.375 529 P CA -0.511 62.577 63.100 -0.021 0.000 0.864 529 P CB 1.049 32.736 31.700 -0.021 0.000 0.958 530 R N 2.248 122.737 120.500 -0.018 0.000 2.694 530 R HA 0.315 4.655 4.340 0.000 0.000 0.268 530 R C 0.314 176.611 176.300 -0.005 0.000 1.061 530 R CA 0.126 56.213 56.100 -0.021 0.000 1.133 530 R CB 0.767 31.054 30.300 -0.022 0.000 1.020 530 R HN 0.562 nan 8.270 nan 0.000 0.475 531 E N 0.578 120.767 120.200 -0.017 0.000 2.393 531 E HA 0.296 4.646 4.350 0.000 0.000 0.273 531 E C -1.141 175.480 176.600 0.035 0.000 0.918 531 E CA -0.774 55.616 56.400 -0.016 0.000 0.773 531 E CB 2.060 31.697 29.700 -0.104 0.000 1.275 531 E HN 0.508 nan 8.360 nan 0.000 0.451 532 Y N -1.618 118.663 120.300 -0.031 0.000 2.654 532 Y HA 0.802 5.352 4.550 0.000 0.000 0.327 532 Y C -0.781 175.122 175.900 0.005 0.000 1.122 532 Y CA -1.106 56.982 58.100 -0.020 0.000 1.227 532 Y CB 0.584 39.047 38.460 0.004 0.000 1.370 532 Y HN 0.206 nan 8.280 nan 0.000 0.528 533 V N 1.758 121.739 119.914 0.112 0.000 2.715 533 V HA 0.443 4.563 4.120 0.000 0.000 0.310 533 V C -1.151 175.057 176.094 0.191 0.000 1.054 533 V CA -0.733 61.597 62.300 0.050 0.000 0.928 533 V CB 1.654 33.544 31.823 0.111 0.000 1.007 533 V HN 0.818 nan 8.190 nan 0.000 0.437 534 N N 2.837 121.623 118.700 0.143 0.000 2.747 534 N HA 0.486 5.226 4.740 0.000 0.000 0.262 534 N C -0.370 175.257 175.510 0.195 0.000 1.261 534 N CA 0.315 53.476 53.050 0.185 0.000 0.809 534 N CB 1.280 39.883 38.487 0.194 0.000 1.450 534 N HN 1.187 nan 8.380 nan 0.000 0.560 535 A N 3.195 126.127 122.820 0.187 0.000 2.578 535 A HA -0.210 4.110 4.320 0.000 0.000 0.298 535 A C 0.786 178.521 177.584 0.251 0.000 1.472 535 A CA 1.228 53.382 52.037 0.195 0.000 0.734 535 A CB -1.945 17.164 19.000 0.182 0.000 1.091 535 A HN 0.992 nan 8.150 nan 0.000 0.426 536 R N -2.184 118.432 120.500 0.193 0.000 3.741 536 R HA -0.241 4.099 4.340 0.000 0.000 0.292 536 R C -0.092 176.300 176.300 0.153 0.000 1.176 536 R CA 1.750 57.946 56.100 0.160 0.000 0.794 536 R CB -1.931 28.296 30.300 -0.122 0.000 1.213 536 R HN 0.943 nan 8.270 nan 0.000 0.494 537 H N -1.619 117.528 119.070 0.127 0.000 2.499 537 H HA 0.402 4.958 4.556 0.000 0.000 0.340 537 H C -0.177 175.132 175.328 -0.032 0.000 1.148 537 H CA -0.513 55.562 56.048 0.046 0.000 1.215 537 H CB 1.169 30.922 29.762 -0.015 0.000 1.529 537 H HN 0.136 nan 8.280 nan 0.000 0.510 538 c N 4.596 123.214 118.600 0.030 0.000 2.285 538 c HA 0.523 5.093 4.570 0.000 0.000 0.335 538 c C -0.153 173.840 174.090 -0.161 0.000 1.267 538 c CA -0.846 55.416 56.329 -0.112 0.000 1.762 538 c CB -1.484 40.959 42.510 -0.110 0.000 2.365 538 c HN 0.493 nan 8.230 nan 0.000 0.527 539 L N 5.498 126.498 121.223 -0.371 0.000 2.371 539 L HA 0.600 4.940 4.340 0.000 0.000 0.262 539 L C -2.327 174.370 176.870 -0.289 0.000 1.006 539 L CA -1.896 52.708 54.840 -0.392 0.000 0.818 539 L CB 2.513 44.201 42.059 -0.617 0.000 1.354 539 L HN 0.351 nan 8.230 nan 0.000 0.415 540 P HA 0.126 nan 4.420 nan 0.000 0.280 540 P C -0.756 176.665 177.300 0.202 0.000 1.244 540 P CA -0.475 62.654 63.100 0.049 0.000 0.784 540 P CB 0.860 32.579 31.700 0.032 0.000 0.913 541 c N 2.825 121.532 118.600 0.178 0.000 2.657 541 c HA 0.124 4.694 4.570 0.000 0.000 0.404 541 c C 1.399 175.579 174.090 0.150 0.000 1.291 541 c CA 0.110 56.551 56.329 0.187 0.000 2.218 541 c CB -1.547 41.028 42.510 0.108 0.000 2.687 541 c HN 0.629 nan 8.230 nan 0.000 0.634 542 H N 2.963 122.081 119.070 0.080 0.000 3.064 542 H HA 0.055 4.611 4.556 0.000 0.000 0.329 542 H C -1.415 173.946 175.328 0.055 0.000 1.020 542 H CA -0.074 56.014 56.048 0.067 0.000 1.402 542 H CB 0.518 30.324 29.762 0.074 0.000 1.379 542 H HN 0.425 nan 8.280 nan 0.000 0.594 543 P HA -0.232 nan 4.420 nan 0.000 0.218 543 P C 0.774 178.128 177.300 0.090 0.000 1.154 543 P CA 1.566 64.624 63.100 -0.070 0.000 0.872 543 P CB 0.281 31.882 31.700 -0.165 0.000 0.790 544 E N -1.578 118.777 120.200 0.258 0.000 2.516 544 E HA -0.031 4.319 4.350 0.000 0.000 0.199 544 E C 0.241 176.949 176.600 0.179 0.000 1.069 544 E CA 0.241 56.812 56.400 0.284 0.000 0.876 544 E CB -0.878 29.038 29.700 0.359 0.000 0.843 544 E HN 0.262 nan 8.360 nan 0.000 0.530 545 c N 1.911 120.598 118.600 0.145 0.000 2.576 545 c HA 0.161 4.731 4.570 0.000 0.000 0.401 545 c C 0.910 175.009 174.090 0.015 0.000 1.314 545 c CA -0.804 55.564 56.329 0.066 0.000 1.855 545 c CB -0.233 42.309 42.510 0.053 0.000 2.537 545 c HN 0.235 nan 8.230 nan 0.000 0.578 546 Q N 4.949 124.738 119.800 -0.019 0.000 2.296 546 Q HA 0.249 4.589 4.340 0.000 0.000 0.263 546 Q C -2.290 173.683 176.000 -0.044 0.000 1.026 546 Q CA -1.030 54.744 55.803 -0.049 0.000 0.912 546 Q CB 0.452 29.149 28.738 -0.069 0.000 1.198 546 Q HN 0.452 nan 8.270 nan 0.000 0.407 547 P HA -0.064 nan 4.420 nan 0.000 0.262 547 P C -1.110 176.162 177.300 -0.047 0.000 1.182 547 P CA 0.342 63.416 63.100 -0.043 0.000 0.761 547 P CB 0.547 32.225 31.700 -0.038 0.000 0.795 548 Q N 2.547 122.316 119.800 -0.052 0.000 2.290 548 Q HA 0.282 4.622 4.340 0.000 0.000 0.259 548 Q C -0.350 175.625 176.000 -0.041 0.000 0.941 548 Q CA -0.596 55.178 55.803 -0.048 0.000 0.912 548 Q CB 0.889 29.594 28.738 -0.055 0.000 1.244 548 Q HN 0.325 nan 8.270 nan 0.000 0.441 549 N N 0.787 119.466 118.700 -0.034 0.000 2.475 549 N HA 0.259 4.999 4.740 0.000 0.000 0.267 549 N C 0.675 176.170 175.510 -0.025 0.000 1.169 549 N CA 0.900 53.933 53.050 -0.028 0.000 0.947 549 N CB 0.666 39.139 38.487 -0.025 0.000 1.061 549 N HN 0.839 nan 8.380 nan 0.000 0.466 550 G N 0.506 109.292 108.800 -0.024 0.000 2.256 550 G HA2 -0.157 3.803 3.960 0.000 0.000 0.272 550 G HA3 -0.157 3.803 3.960 0.000 0.000 0.272 550 G C -0.021 174.868 174.900 -0.019 0.000 1.076 550 G CA 0.577 45.666 45.100 -0.019 0.000 0.882 550 G HN 0.904 nan 8.290 nan 0.000 0.497 551 S N -2.659 113.024 115.700 -0.028 0.000 2.645 551 S HA 0.513 4.983 4.470 0.000 0.000 0.268 551 S C -0.306 174.259 174.600 -0.058 0.000 1.110 551 S CA 0.106 58.286 58.200 -0.033 0.000 0.823 551 S CB 1.133 64.316 63.200 -0.028 0.000 1.091 551 S HN 1.319 nan 8.310 nan 0.000 0.466 552 V N 2.979 122.847 119.914 -0.077 0.000 2.637 552 V HA 0.265 4.385 4.120 0.000 0.000 0.296 552 V C 1.473 177.445 176.094 -0.203 0.000 1.046 552 V CA 0.629 62.849 62.300 -0.133 0.000 1.066 552 V CB 1.181 32.911 31.823 -0.156 0.000 0.968 552 V HN 1.048 nan 8.190 nan 0.000 0.483 553 T N 2.415 116.859 114.554 -0.183 0.000 3.035 553 T HA 0.068 4.418 4.350 0.000 0.000 0.259 553 T C 0.336 174.880 174.700 -0.259 0.000 1.078 553 T CA 0.954 62.953 62.100 -0.169 0.000 1.132 553 T CB -0.012 68.802 68.868 -0.089 0.000 0.900 553 T HN 0.932 nan 8.240 nan 0.000 0.480 554 c N -0.489 117.900 118.600 -0.353 0.000 3.285 554 c HA 0.690 5.260 4.570 0.000 0.000 0.325 554 c C -0.256 173.524 174.090 -0.517 0.000 1.304 554 c CA -1.404 54.670 56.329 -0.424 0.000 1.319 554 c CB -0.196 42.241 42.510 -0.122 0.000 1.640 554 c HN 0.231 nan 8.230 nan 0.000 0.477 555 F N 1.707 121.604 119.950 -0.089 0.000 2.678 555 F HA 0.619 5.146 4.527 0.000 0.000 0.305 555 F C 1.426 176.998 175.800 -0.381 0.000 1.090 555 F CA 0.639 58.552 58.000 -0.145 0.000 1.272 555 F CB 0.548 39.485 39.000 -0.104 0.000 1.060 555 F HN 1.284 nan 8.300 nan 0.000 0.576 556 G N -0.160 108.375 108.800 -0.441 0.000 2.320 556 G HA2 0.232 4.192 3.960 0.000 0.000 0.296 556 G HA3 0.232 4.192 3.960 0.000 0.000 0.296 556 G C -2.485 172.121 174.900 -0.491 0.000 1.306 556 G CA -0.651 43.884 45.100 -0.942 0.000 0.836 556 G HN -0.325 nan 8.290 nan 0.000 0.517 557 P HA 0.032 nan 4.420 nan 0.000 0.219 557 P C 0.483 177.869 177.300 0.144 0.000 1.150 557 P CA 0.876 64.049 63.100 0.123 0.000 0.814 557 P CB 0.251 32.071 31.700 0.199 0.000 0.787 558 E N -0.477 119.767 120.200 0.074 0.000 2.383 558 E HA 0.277 4.627 4.350 0.000 0.000 0.264 558 E C 1.205 177.814 176.600 0.014 0.000 1.050 558 E CA -0.232 56.221 56.400 0.088 0.000 0.896 558 E CB 0.429 30.195 29.700 0.110 0.000 0.982 558 E HN -0.033 nan 8.360 nan 0.000 0.424 559 A N 2.903 125.595 122.820 -0.213 0.000 2.225 559 A HA -0.161 4.159 4.320 0.000 0.000 0.215 559 A C 1.060 178.654 177.584 0.017 0.000 1.164 559 A CA 1.464 53.247 52.037 -0.424 0.000 0.710 559 A CB -0.318 18.185 19.000 -0.827 0.000 0.780 559 A HN 0.635 nan 8.150 nan 0.000 0.473 560 D N -1.347 119.099 120.400 0.076 0.000 2.463 560 D HA 0.059 4.699 4.640 0.000 0.000 0.224 560 D C 0.498 176.770 176.300 -0.046 0.000 1.174 560 D CA 0.005 53.940 54.000 -0.108 0.000 0.829 560 D CB -0.305 40.176 40.800 -0.532 0.000 0.993 560 D HN 0.503 nan 8.370 nan 0.000 0.497 561 Q N 0.076 119.894 119.800 0.031 0.000 2.182 561 Q HA 0.265 4.605 4.340 0.000 0.000 0.270 561 Q C -0.504 175.584 176.000 0.146 0.000 0.861 561 Q CA -0.353 55.526 55.803 0.126 0.000 1.098 561 Q CB 0.836 29.619 28.738 0.075 0.000 1.188 561 Q HN 0.217 nan 8.270 nan 0.000 0.464 562 c N -0.185 118.469 118.600 0.090 0.000 2.466 562 c HA 0.193 4.764 4.570 0.000 0.000 0.379 562 c C 2.180 176.312 174.090 0.069 0.000 1.251 562 c CA -0.630 55.719 56.329 0.033 0.000 2.263 562 c CB 1.068 43.600 42.510 0.037 0.000 2.511 562 c HN 0.325 nan 8.230 nan 0.000 0.573 563 V N 1.802 121.695 119.914 -0.036 0.000 2.427 563 V HA 0.045 4.165 4.120 0.000 0.000 0.248 563 V C 1.041 177.153 176.094 0.031 0.000 1.051 563 V CA 2.172 64.485 62.300 0.022 0.000 1.048 563 V CB -0.664 31.114 31.823 -0.076 0.000 0.666 563 V HN 1.047 nan 8.190 nan 0.000 0.456 564 A N -2.279 120.544 122.820 0.004 0.000 2.605 564 A HA 0.547 4.867 4.320 0.000 0.000 0.294 564 A C -0.984 176.599 177.584 -0.001 0.000 1.062 564 A CA -0.526 51.512 52.037 0.002 0.000 0.682 564 A CB 0.887 19.880 19.000 -0.012 0.000 1.278 564 A HN 0.112 nan 8.150 nan 0.000 0.410 565 c N 1.150 119.751 118.600 0.002 0.000 2.536 565 c HA 0.544 5.114 4.570 0.000 0.000 0.396 565 c C 2.091 176.154 174.090 -0.044 0.000 1.279 565 c CA 0.424 56.760 56.329 0.010 0.000 2.148 565 c CB 0.599 43.131 42.510 0.036 0.000 2.584 565 c HN 1.117 nan 8.230 nan 0.000 0.579 566 A N 1.606 124.398 122.820 -0.047 0.000 1.929 566 A HA -0.041 4.279 4.320 0.000 0.000 0.216 566 A C 1.619 178.930 177.584 -0.455 0.000 1.176 566 A CA 1.488 53.399 52.037 -0.210 0.000 0.628 566 A CB -0.279 18.641 19.000 -0.132 0.000 0.816 566 A HN 0.990 nan 8.150 nan 0.000 0.444 567 H N -3.510 115.493 119.070 -0.111 0.000 5.214 567 H HA 0.340 4.896 4.556 0.000 0.000 0.090 567 H C -0.318 174.789 175.328 -0.368 0.000 1.307 567 H CA -0.048 55.820 56.048 -0.299 0.000 0.450 567 H CB -0.135 29.486 29.762 -0.236 0.000 1.651 567 H HN 0.378 nan 8.280 nan 0.000 0.136 568 Y N 0.494 120.900 120.300 0.177 0.000 2.596 568 Y HA 0.420 4.970 4.550 0.000 0.000 0.326 568 Y C 0.348 176.289 175.900 0.068 0.000 1.167 568 Y CA -0.744 57.407 58.100 0.085 0.000 1.246 568 Y CB 1.466 39.962 38.460 0.060 0.000 1.347 568 Y HN -0.036 nan 8.280 nan 0.000 0.515 569 K N 1.089 121.621 120.400 0.221 0.000 2.397 569 K HA 0.221 4.542 4.320 0.000 0.000 0.253 569 K C -1.904 174.755 176.600 0.098 0.000 0.932 569 K CA -0.636 55.730 56.287 0.131 0.000 0.795 569 K CB 1.256 33.801 32.500 0.075 0.000 1.159 569 K HN 0.640 nan 8.250 nan 0.000 0.424 570 D N 5.885 126.348 120.400 0.106 0.000 2.458 570 D HA 0.296 4.936 4.640 0.000 0.000 0.258 570 D C -2.484 173.875 176.300 0.098 0.000 1.134 570 D CA -2.153 51.897 54.000 0.083 0.000 0.915 570 D CB 1.164 42.014 40.800 0.084 0.000 1.028 570 D HN 0.191 nan 8.370 nan 0.000 0.508 571 P HA 0.014 nan 4.420 nan 0.000 0.261 571 P C -1.812 175.455 177.300 -0.055 0.000 1.173 571 P CA -0.685 62.398 63.100 -0.028 0.000 0.760 571 P CB 0.321 32.001 31.700 -0.033 0.000 0.783 572 P HA 0.089 nan 4.420 nan 0.000 0.255 572 P C -0.368 176.693 177.300 -0.398 0.000 1.248 572 P CA 0.365 63.238 63.100 -0.377 0.000 0.807 572 P CB 0.351 31.711 31.700 -0.566 0.000 1.150 573 F N 0.408 120.337 119.950 -0.034 0.000 2.408 573 F HA 0.232 4.759 4.527 0.000 0.000 0.344 573 F C 1.136 176.921 175.800 -0.024 0.000 1.112 573 F CA -0.965 57.003 58.000 -0.053 0.000 1.096 573 F CB 0.482 39.439 39.000 -0.071 0.000 1.129 573 F HN -0.173 nan 8.300 nan 0.000 0.486 574 c N 3.613 122.304 118.600 0.153 0.000 2.648 574 c HA 0.444 5.014 4.570 0.000 0.000 0.419 574 c C 0.463 174.649 174.090 0.160 0.000 1.352 574 c CA -0.724 55.688 56.329 0.140 0.000 1.816 574 c CB -0.226 42.356 42.510 0.119 0.000 2.598 574 c HN 0.657 nan 8.230 nan 0.000 0.598 575 V N 3.453 123.477 119.914 0.183 0.000 2.962 575 V HA 0.674 4.795 4.120 0.000 0.000 0.313 575 V C 0.711 176.928 176.094 0.205 0.000 1.099 575 V CA 0.190 62.589 62.300 0.164 0.000 0.971 575 V CB 2.093 33.987 31.823 0.118 0.000 1.028 575 V HN 0.970 nan 8.190 nan 0.000 0.430 576 A N 5.296 128.195 122.820 0.130 0.000 1.929 576 A HA 0.223 4.543 4.320 0.000 0.000 0.216 576 A C 0.815 178.480 177.584 0.134 0.000 1.176 576 A CA 1.329 53.393 52.037 0.045 0.000 0.628 576 A CB -0.043 18.945 19.000 -0.021 0.000 0.816 576 A HN 0.883 nan 8.150 nan 0.000 0.444 577 R N -2.571 118.002 120.500 0.122 0.000 2.664 577 R HA 0.430 4.770 4.340 0.000 0.000 0.266 577 R C -1.344 174.918 176.300 -0.064 0.000 1.046 577 R CA -0.695 55.433 56.100 0.046 0.000 0.885 577 R CB -0.056 30.249 30.300 0.008 0.000 1.254 577 R HN 0.085 nan 8.270 nan 0.000 0.465 578 C N 2.639 121.817 119.300 -0.203 0.000 2.657 578 C HA 0.287 4.747 4.460 0.000 0.000 0.420 578 C C -1.450 173.479 174.990 -0.102 0.000 1.323 578 C CA -0.600 58.332 59.018 -0.143 0.000 1.894 578 C CB -0.597 27.032 27.740 -0.184 0.000 2.681 578 C HN 0.569 nan 8.230 nan 0.000 0.613 579 P HA 0.228 nan 4.420 nan 0.000 0.278 579 P C -0.108 177.060 177.300 -0.221 0.000 1.238 579 P CA 0.085 63.102 63.100 -0.139 0.000 0.794 579 P CB 0.764 32.391 31.700 -0.123 0.000 0.955 592 W N 3.048 124.363 121.300 0.024 0.000 2.538 592 W HA 0.611 5.271 4.660 0.000 0.000 0.322 592 W C 0.057 176.615 176.519 0.065 0.000 1.028 592 W CA -0.413 56.953 57.345 0.034 0.000 1.228 592 W CB 1.947 31.425 29.460 0.030 0.000 1.356 592 W HN -0.035 nan 8.180 nan 0.000 0.452 593 K N 2.564 123.112 120.400 0.246 0.000 2.395 593 K HA 0.781 5.101 4.320 0.000 0.000 0.245 593 K C -1.199 175.560 176.600 0.264 0.000 1.017 593 K CA -1.098 55.314 56.287 0.208 0.000 0.852 593 K CB 2.534 35.065 32.500 0.051 0.000 1.311 593 K HN 0.358 nan 8.250 nan 0.000 0.452 594 F N -0.786 119.169 119.950 0.007 0.000 2.654 594 F HA 0.560 5.087 4.527 0.000 0.000 0.308 594 F C -2.974 172.783 175.800 -0.072 0.000 1.108 594 F CA -2.559 55.420 58.000 -0.035 0.000 0.957 594 F CB 1.598 40.604 39.000 0.009 0.000 1.309 594 F HN 0.247 nan 8.300 nan 0.000 0.446 595 P HA 0.167 nan 4.420 nan 0.000 0.281 595 P C -1.080 176.069 177.300 -0.251 0.000 1.252 595 P CA 0.150 63.081 63.100 -0.283 0.000 0.778 595 P CB 1.503 33.078 31.700 -0.209 0.000 0.895 596 D N 2.363 122.580 120.400 -0.304 0.000 2.496 596 D HA 0.067 4.707 4.640 0.000 0.000 0.283 596 D C 1.143 177.454 176.300 0.018 0.000 1.214 596 D CA -0.156 53.746 54.000 -0.164 0.000 1.089 596 D CB 0.014 40.678 40.800 -0.227 0.000 1.141 596 D HN 0.180 nan 8.370 nan 0.000 0.580 597 E N 0.116 120.339 120.200 0.038 0.000 2.013 597 E HA -0.192 4.158 4.350 0.000 0.000 0.202 597 E C 1.077 177.704 176.600 0.044 0.000 1.018 597 E CA 1.323 57.754 56.400 0.051 0.000 0.834 597 E CB -0.215 29.510 29.700 0.042 0.000 0.770 597 E HN 0.607 nan 8.360 nan 0.000 0.459 598 E N -0.064 120.152 120.200 0.027 0.000 2.296 598 E HA 0.172 4.522 4.350 0.000 0.000 0.196 598 E C 0.612 177.235 176.600 0.039 0.000 1.143 598 E CA 0.297 56.712 56.400 0.026 0.000 1.145 598 E CB 0.034 29.742 29.700 0.013 0.000 1.215 598 E HN 0.451 nan 8.360 nan 0.000 0.447 599 G N 1.271 110.116 108.800 0.075 0.000 2.189 599 G HA2 -0.364 3.596 3.960 0.000 0.000 0.267 599 G HA3 -0.364 3.596 3.960 0.000 0.000 0.267 599 G C 0.430 175.415 174.900 0.142 0.000 0.975 599 G CA 0.262 45.454 45.100 0.153 0.000 0.644 599 G HN 0.513 nan 8.290 nan 0.000 0.537 600 A N -0.446 122.393 122.820 0.032 0.000 2.328 600 A HA 0.549 4.870 4.320 0.000 0.000 0.284 600 A C 0.900 178.416 177.584 -0.114 0.000 1.160 600 A CA 0.290 52.318 52.037 -0.016 0.000 0.818 600 A CB 0.476 19.455 19.000 -0.035 0.000 1.087 600 A HN 1.000 nan 8.150 nan 0.000 0.504 601 C N 4.251 123.492 119.300 -0.099 0.000 2.551 601 C HA 0.187 4.647 4.460 0.000 0.000 0.378 601 C C 0.653 175.512 174.990 -0.219 0.000 1.101 601 C CA -0.606 58.303 59.018 -0.182 0.000 1.360 601 C CB -1.924 25.759 27.740 -0.095 0.000 1.895 601 C HN 0.738 nan 8.230 nan 0.000 0.540 602 Q N 4.407 123.941 119.800 -0.443 0.000 2.306 602 Q HA 0.355 4.695 4.340 0.000 0.000 0.241 602 Q C -2.087 173.817 176.000 -0.160 0.000 0.948 602 Q CA -1.802 53.781 55.803 -0.368 0.000 0.886 602 Q CB 0.705 29.126 28.738 -0.528 0.000 1.227 602 Q HN 0.427 nan 8.270 nan 0.000 0.457 603 P HA 0.173 nan 4.420 nan 0.000 0.284 603 P C -0.446 177.088 177.300 0.390 0.000 1.253 603 P CA -0.388 62.847 63.100 0.225 0.000 0.800 603 P CB 0.744 32.529 31.700 0.142 0.000 0.961 604 C N 5.125 124.642 119.300 0.362 0.000 2.679 604 C HA 0.110 4.570 4.460 0.000 0.000 0.417 604 C C 0.168 175.209 174.990 0.086 0.000 1.302 604 C CA -0.473 58.648 59.018 0.170 0.000 1.973 604 C CB -0.597 27.186 27.740 0.072 0.000 2.715 604 C HN 0.584 nan 8.230 nan 0.000 0.628 605 P HA 0.103 nan 4.420 nan 0.000 0.224 605 P C -0.136 177.151 177.300 -0.021 0.000 1.157 605 P CA 1.132 64.235 63.100 0.005 0.000 0.799 605 P CB 0.261 31.946 31.700 -0.024 0.000 0.809 606 I N 0.004 120.536 120.570 -0.063 0.000 2.498 606 I HA 0.305 4.475 4.170 0.000 0.000 0.290 606 I C 0.140 176.175 176.117 -0.137 0.000 1.032 606 I CA -0.839 60.409 61.300 -0.086 0.000 1.073 606 I CB 1.820 39.758 38.000 -0.103 0.000 1.251 606 I HN -0.235 nan 8.210 nan 0.000 0.426 607 N N 0.000 118.634 118.700 -0.111 0.000 1.763 607 N HA 0.000 4.740 4.740 0.000 0.000 0.220 607 N CA 0.000 52.956 53.050 -0.156 0.000 0.885 607 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 607 N HN 0.000 nan 8.380 nan 0.000 0.667