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 1ha2_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LGL 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.307 175.328 -0.035 0.000 0.993 3 H CA 0.000 55.989 56.048 -0.098 0.000 1.023 3 H CB 0.000 29.663 29.762 -0.164 0.000 1.292 4 K N 0.078 120.466 120.400 -0.021 0.000 2.103 4 K HA 0.038 4.364 4.320 0.009 0.000 0.204 4 K C 0.809 177.424 176.600 0.024 0.000 1.052 4 K CA 1.599 57.889 56.287 0.004 0.000 0.945 4 K CB 0.079 32.579 32.500 0.000 0.000 0.722 4 K HN 0.453 nan 8.250 nan 0.000 0.443 5 S N 0.990 116.702 115.700 0.020 0.000 2.520 5 S HA 0.132 4.608 4.470 0.009 0.000 0.324 5 S C 0.803 175.458 174.600 0.092 0.000 1.069 5 S CA -0.452 57.773 58.200 0.041 0.000 1.121 5 S CB 1.190 64.386 63.200 -0.008 0.000 0.971 5 S HN 0.174 nan 8.310 nan 0.000 0.463 6 E N 3.173 123.450 120.200 0.128 0.000 2.051 6 E HA -0.141 4.215 4.350 0.009 0.000 0.192 6 E C 1.641 178.361 176.600 0.201 0.000 0.991 6 E CA 1.779 58.289 56.400 0.182 0.000 0.799 6 E CB 0.008 29.810 29.700 0.169 0.000 0.748 6 E HN 0.706 nan 8.360 nan 0.000 0.449 7 V N 1.029 121.050 119.914 0.178 0.000 2.295 7 V HA -0.268 3.857 4.120 0.009 0.000 0.246 7 V C 2.472 178.649 176.094 0.138 0.000 1.049 7 V CA 1.832 64.253 62.300 0.201 0.000 1.024 7 V CB -1.214 30.711 31.823 0.170 0.000 0.648 7 V HN 0.378 nan 8.190 nan 0.000 0.447 8 A N -0.604 122.241 122.820 0.042 0.000 1.908 8 A HA -0.294 4.031 4.320 0.009 0.000 0.218 8 A C 2.258 179.938 177.584 0.160 0.000 1.181 8 A CA 2.154 54.200 52.037 0.014 0.000 0.627 8 A CB -1.025 17.953 19.000 -0.038 0.000 0.818 8 A HN 0.766 nan 8.150 nan 0.000 0.445 9 H N -0.717 118.392 119.070 0.066 0.000 2.293 9 H HA -0.123 4.438 4.556 0.009 0.000 0.300 9 H C 2.284 177.679 175.328 0.113 0.000 1.082 9 H CA 1.284 57.379 56.048 0.079 0.000 1.308 9 H CB 0.057 29.861 29.762 0.070 0.000 1.375 9 H HN 0.282 nan 8.280 nan 0.000 0.495 10 R N 0.029 120.583 120.500 0.090 0.000 2.096 10 R HA -0.153 4.192 4.340 0.009 0.000 0.235 10 R C 2.313 178.709 176.300 0.160 0.000 1.127 10 R CA 0.989 57.127 56.100 0.063 0.000 0.968 10 R CB -1.181 29.238 30.300 0.199 0.000 0.861 10 R HN 0.368 nan 8.270 nan 0.000 0.440 11 F N 2.127 122.081 119.950 0.006 0.000 2.113 11 F HA -0.155 4.378 4.527 0.009 0.000 0.297 11 F C 2.236 177.981 175.800 -0.092 0.000 1.103 11 F CA 1.539 59.424 58.000 -0.193 0.000 1.248 11 F CB 0.009 38.730 39.000 -0.466 0.000 0.999 11 F HN -0.117 nan 8.300 nan 0.000 0.475 12 K N 0.010 120.509 120.400 0.165 0.000 1.978 12 K HA -0.225 4.100 4.320 0.009 0.000 0.214 12 K C 1.186 177.791 176.600 0.008 0.000 1.049 12 K CA 2.029 58.377 56.287 0.101 0.000 0.939 12 K CB -0.680 31.908 32.500 0.148 0.000 0.721 12 K HN 0.427 nan 8.250 nan 0.000 0.441 13 D N -0.236 120.165 120.400 0.001 0.000 2.352 13 D HA -0.020 4.626 4.640 0.009 0.000 0.236 13 D C 1.030 177.303 176.300 -0.044 0.000 1.148 13 D CA 0.183 54.171 54.000 -0.021 0.000 0.844 13 D CB 0.342 41.134 40.800 -0.013 0.000 0.933 13 D HN -0.006 nan 8.370 nan 0.000 0.507 14 L N -0.016 121.164 121.223 -0.071 0.000 2.694 14 L HA 0.453 4.799 4.340 0.009 0.000 0.228 14 L C 0.882 177.683 176.870 -0.116 0.000 1.048 14 L CA 1.290 56.094 54.840 -0.060 0.000 0.887 14 L CB 0.271 42.333 42.059 0.005 0.000 1.265 14 L HN 0.336 nan 8.230 nan 0.000 0.492 15 G N 0.133 108.776 108.800 -0.262 0.000 2.712 15 G HA2 -0.191 3.774 3.960 0.009 0.000 0.686 15 G HA3 -0.191 3.774 3.960 0.009 0.000 0.686 15 G C 0.371 174.983 174.900 -0.480 0.000 1.181 15 G CA 0.105 45.012 45.100 -0.322 0.000 0.762 15 G HN 0.209 nan 8.290 nan 0.000 0.641 16 E N 0.092 119.955 120.200 -0.562 0.000 2.058 16 E HA -0.200 4.156 4.350 0.009 0.000 0.194 16 E C 2.188 178.754 176.600 -0.058 0.000 0.997 16 E CA 1.748 57.902 56.400 -0.411 0.000 0.801 16 E CB -0.012 29.643 29.700 -0.075 0.000 0.746 16 E HN 0.562 nan 8.360 nan 0.000 0.450 17 E N 0.664 120.845 120.200 -0.032 0.000 2.038 17 E HA -0.192 4.163 4.350 0.009 0.000 0.195 17 E C 1.847 178.474 176.600 0.046 0.000 1.000 17 E CA 0.998 57.416 56.400 0.030 0.000 0.803 17 E CB -0.475 29.238 29.700 0.022 0.000 0.750 17 E HN 0.322 nan 8.360 nan 0.000 0.448 18 N N 0.186 118.897 118.700 0.019 0.000 2.216 18 N HA -0.113 4.633 4.740 0.009 0.000 0.183 18 N C 1.782 177.317 175.510 0.041 0.000 1.017 18 N CA 0.470 53.534 53.050 0.023 0.000 0.861 18 N CB -0.513 37.977 38.487 0.004 0.000 0.986 18 N HN 0.120 nan 8.380 nan 0.000 0.428 19 F N 2.458 122.341 119.950 -0.111 0.000 2.069 19 F HA -0.171 4.361 4.527 0.009 0.000 0.298 19 F C 2.086 177.899 175.800 0.021 0.000 1.113 19 F CA 1.588 59.547 58.000 -0.069 0.000 1.214 19 F CB 0.013 38.921 39.000 -0.153 0.000 0.978 19 F HN -0.088 nan 8.300 nan 0.000 0.474 20 K N 0.015 120.575 120.400 0.266 0.000 2.147 20 K HA -0.108 4.217 4.320 0.009 0.000 0.205 20 K C 2.237 178.877 176.600 0.068 0.000 1.049 20 K CA 1.111 57.515 56.287 0.195 0.000 0.936 20 K CB -0.473 32.158 32.500 0.219 0.000 0.722 20 K HN 0.371 nan 8.250 nan 0.000 0.446 21 A N 1.313 124.160 122.820 0.046 0.000 1.897 21 A HA -0.053 4.272 4.320 0.009 0.000 0.215 21 A C 2.108 179.678 177.584 -0.023 0.000 1.181 21 A CA 0.938 52.995 52.037 0.033 0.000 0.620 21 A CB -0.454 18.570 19.000 0.041 0.000 0.821 21 A HN 0.110 nan 8.150 nan 0.000 0.443 22 L N -0.570 120.598 121.223 -0.092 0.000 2.005 22 L HA -0.142 4.203 4.340 0.009 0.000 0.207 22 L C 2.524 179.269 176.870 -0.209 0.000 1.072 22 L CA 1.069 55.809 54.840 -0.165 0.000 0.744 22 L CB -0.620 41.305 42.059 -0.223 0.000 0.895 22 L HN 0.222 nan 8.230 nan 0.000 0.433 23 V N 0.153 119.901 119.914 -0.275 0.000 2.380 23 V HA -0.310 3.816 4.120 0.009 0.000 0.251 23 V C 2.409 178.506 176.094 0.004 0.000 1.063 23 V CA 1.832 63.995 62.300 -0.228 0.000 1.055 23 V CB -0.444 31.268 31.823 -0.185 0.000 0.657 23 V HN 0.341 nan 8.190 nan 0.000 0.455 24 L N -0.017 121.235 121.223 0.048 0.000 1.994 24 L HA -0.127 4.218 4.340 0.009 0.000 0.208 24 L C 2.180 179.082 176.870 0.054 0.000 1.071 24 L CA 1.939 56.844 54.840 0.109 0.000 0.745 24 L CB -0.493 41.628 42.059 0.103 0.000 0.892 24 L HN 0.222 nan 8.230 nan 0.000 0.431 25 I N -0.189 120.380 120.570 -0.001 0.000 2.208 25 I HA -0.317 3.858 4.170 0.009 0.000 0.245 25 I C 2.630 178.717 176.117 -0.050 0.000 1.097 25 I CA 1.240 62.524 61.300 -0.027 0.000 1.363 25 I CB -0.731 37.238 38.000 -0.050 0.000 1.051 25 I HN 0.401 nan 8.210 nan 0.000 0.413 26 A N 0.793 123.547 122.820 -0.110 0.000 1.883 26 A HA -0.220 4.106 4.320 0.009 0.000 0.217 26 A C 2.092 179.713 177.584 0.062 0.000 1.186 26 A CA 1.713 53.659 52.037 -0.152 0.000 0.624 26 A CB -0.999 17.728 19.000 -0.455 0.000 0.822 26 A HN 0.330 nan 8.150 nan 0.000 0.444 27 F N 0.042 120.079 119.950 0.145 0.000 2.186 27 F HA -0.007 4.525 4.527 0.009 0.000 0.299 27 F C 2.758 178.545 175.800 -0.023 0.000 1.090 27 F CA 0.664 58.759 58.000 0.158 0.000 1.307 27 F CB -0.624 38.453 39.000 0.129 0.000 1.019 27 F HN 0.253 nan 8.300 nan 0.000 0.489 28 A N -0.618 122.158 122.820 -0.075 0.000 2.015 28 A HA -0.193 4.132 4.320 0.009 0.000 0.219 28 A C 2.096 179.677 177.584 -0.005 0.000 1.163 28 A CA 1.340 53.284 52.037 -0.155 0.000 0.646 28 A CB -0.639 18.303 19.000 -0.096 0.000 0.806 28 A HN 0.459 nan 8.150 nan 0.000 0.448 29 Q N -2.169 117.629 119.800 -0.002 0.000 2.245 29 Q HA -0.097 4.248 4.340 0.009 0.000 0.201 29 Q C 1.447 177.340 176.000 -0.177 0.000 0.955 29 Q CA 1.336 57.064 55.803 -0.125 0.000 0.870 29 Q CB -0.110 28.498 28.738 -0.216 0.000 0.945 29 Q HN 0.882 nan 8.270 nan 0.000 0.461 30 Y N -0.687 119.621 120.300 0.014 0.000 2.314 30 Y HA 0.021 4.577 4.550 0.009 0.000 0.294 30 Y C 0.709 176.575 175.900 -0.057 0.000 1.139 30 Y CA 0.012 58.108 58.100 -0.007 0.000 1.162 30 Y CB 0.531 38.998 38.460 0.012 0.000 1.121 30 Y HN -0.025 nan 8.280 nan 0.000 0.529 31 L N 2.110 123.467 121.223 0.225 0.000 2.648 31 L HA 0.138 4.483 4.340 0.009 0.000 0.238 31 L C 0.930 178.037 176.870 0.396 0.000 1.316 31 L CA 0.347 55.283 54.840 0.160 0.000 1.241 31 L CB -0.351 41.883 42.059 0.293 0.000 1.499 31 L HN 0.313 nan 8.230 nan 0.000 0.411 32 Q N -0.621 119.346 119.800 0.278 0.000 2.364 32 Q HA -0.146 4.199 4.340 0.009 0.000 0.209 32 Q C 1.037 177.217 176.000 0.300 0.000 0.977 32 Q CA 0.879 56.826 55.803 0.241 0.000 0.885 32 Q CB 0.178 28.988 28.738 0.120 0.000 0.941 32 Q HN 0.540 nan 8.270 nan 0.000 0.464 33 Q N -0.666 119.403 119.800 0.450 0.000 2.356 33 Q HA 0.087 4.432 4.340 0.009 0.000 0.205 33 Q C 0.356 176.476 176.000 0.201 0.000 0.901 33 Q CA 0.128 56.076 55.803 0.242 0.000 0.938 33 Q CB 0.471 29.211 28.738 0.003 0.000 1.081 33 Q HN 0.295 nan 8.270 nan 0.000 0.517 34 C N 3.604 123.082 119.300 0.296 0.000 2.604 34 C HA 0.287 4.753 4.460 0.009 0.000 0.396 34 C C -1.664 173.396 174.990 0.116 0.000 1.282 34 C CA -1.001 58.068 59.018 0.085 0.000 2.292 34 C CB 0.553 28.207 27.740 -0.143 0.000 2.633 34 C HN 0.282 nan 8.230 nan 0.000 0.620 35 P HA 0.039 nan 4.420 nan 0.000 0.274 35 P C 0.562 177.761 177.300 -0.167 0.000 1.237 35 P CA -0.063 63.046 63.100 0.015 0.000 0.793 35 P CB 0.424 32.106 31.700 -0.029 0.000 0.977 36 F N 2.166 121.810 119.950 -0.508 0.000 2.091 36 F HA -0.214 4.319 4.527 0.009 0.000 0.299 36 F C 2.016 177.592 175.800 -0.374 0.000 1.103 36 F CA 1.932 59.444 58.000 -0.813 0.000 1.228 36 F CB -0.741 37.829 39.000 -0.717 0.000 0.984 36 F HN 0.391 nan 8.300 nan 0.000 0.477 37 E N -0.416 119.589 120.200 -0.326 0.000 2.267 37 E HA -0.230 4.125 4.350 0.009 0.000 0.197 37 E C 1.620 178.023 176.600 -0.329 0.000 0.998 37 E CA 1.377 57.574 56.400 -0.339 0.000 0.830 37 E CB -0.269 29.340 29.700 -0.152 0.000 0.751 37 E HN 0.510 nan 8.360 nan 0.000 0.491 38 D N -0.499 119.704 120.400 -0.328 0.000 2.162 38 D HA -0.093 4.552 4.640 0.009 0.000 0.203 38 D C 1.752 177.829 176.300 -0.372 0.000 0.967 38 D CA 0.821 54.623 54.000 -0.330 0.000 0.840 38 D CB -0.013 40.580 40.800 -0.345 0.000 0.972 38 D HN 0.208 nan 8.370 nan 0.000 0.482 39 H N -0.102 118.777 119.070 -0.319 0.000 2.357 39 H HA 0.007 4.569 4.556 0.009 0.000 0.301 39 H C 2.244 177.377 175.328 -0.325 0.000 1.082 39 H CA 0.596 56.469 56.048 -0.293 0.000 1.342 39 H CB -0.373 29.276 29.762 -0.189 0.000 1.389 39 H HN 0.029 nan 8.280 nan 0.000 0.511 40 V N 1.477 121.172 119.914 -0.366 0.000 2.332 40 V HA -0.260 3.865 4.120 0.009 0.000 0.248 40 V C 2.616 178.593 176.094 -0.195 0.000 1.055 40 V CA 2.033 64.125 62.300 -0.347 0.000 1.038 40 V CB -0.392 31.120 31.823 -0.519 0.000 0.651 40 V HN 0.248 nan 8.190 nan 0.000 0.450 41 K N 0.699 120.973 120.400 -0.209 0.000 2.002 41 K HA -0.136 4.190 4.320 0.009 0.000 0.209 41 K C 1.916 178.435 176.600 -0.135 0.000 1.048 41 K CA 1.780 57.975 56.287 -0.154 0.000 0.930 41 K CB -0.757 31.644 32.500 -0.167 0.000 0.714 41 K HN 0.402 nan 8.250 nan 0.000 0.438 42 L N -0.001 121.101 121.223 -0.201 0.000 2.012 42 L HA -0.199 4.146 4.340 0.009 0.000 0.210 42 L C 2.351 179.180 176.870 -0.069 0.000 1.073 42 L CA 1.230 55.919 54.840 -0.251 0.000 0.748 42 L CB -0.598 41.099 42.059 -0.604 0.000 0.891 42 L HN 0.009 nan 8.230 nan 0.000 0.431 43 V N 0.310 120.227 119.914 0.004 0.000 2.282 43 V HA -0.320 3.806 4.120 0.009 0.000 0.249 43 V C 2.292 178.474 176.094 0.147 0.000 1.057 43 V CA 2.030 64.413 62.300 0.140 0.000 1.032 43 V CB -0.712 31.175 31.823 0.108 0.000 0.645 43 V HN 0.520 nan 8.190 nan 0.000 0.447 44 N N 0.105 118.847 118.700 0.069 0.000 2.120 44 N HA -0.182 4.563 4.740 0.009 0.000 0.188 44 N C 1.820 177.386 175.510 0.094 0.000 1.024 44 N CA 1.628 54.724 53.050 0.077 0.000 0.852 44 N CB -0.308 38.192 38.487 0.022 0.000 1.003 44 N HN 0.628 nan 8.380 nan 0.000 0.424 45 E N 0.397 120.634 120.200 0.060 0.000 2.110 45 E HA -0.083 4.272 4.350 0.009 0.000 0.193 45 E C 1.974 178.669 176.600 0.158 0.000 0.988 45 E CA 0.780 57.220 56.400 0.068 0.000 0.804 45 E CB 0.065 29.766 29.700 0.001 0.000 0.745 45 E HN 0.089 nan 8.360 nan 0.000 0.458 46 V N 0.952 120.998 119.914 0.218 0.000 2.453 46 V HA -0.189 3.936 4.120 0.009 0.000 0.247 46 V C 2.235 178.601 176.094 0.454 0.000 1.048 46 V CA 1.891 64.411 62.300 0.366 0.000 1.049 46 V CB -0.481 31.594 31.823 0.420 0.000 0.672 46 V HN 0.307 nan 8.190 nan 0.000 0.457 47 T N -0.511 114.286 114.554 0.405 0.000 2.777 47 T HA -0.146 4.209 4.350 0.009 0.000 0.266 47 T C 1.901 176.652 174.700 0.084 0.000 1.040 47 T CA 1.255 63.565 62.100 0.351 0.000 1.141 47 T CB -0.187 68.889 68.868 0.347 0.000 0.868 47 T HN 0.447 nan 8.240 nan 0.000 0.444 48 E N 0.719 120.981 120.200 0.104 0.000 2.051 48 E HA -0.086 4.269 4.350 0.009 0.000 0.192 48 E C 1.920 178.533 176.600 0.021 0.000 0.991 48 E CA 0.850 57.269 56.400 0.032 0.000 0.799 48 E CB -0.499 29.237 29.700 0.059 0.000 0.748 48 E HN 0.497 nan 8.360 nan 0.000 0.449 49 F N 1.834 121.769 119.950 -0.025 0.000 2.095 49 F HA -0.226 4.306 4.527 0.009 0.000 0.298 49 F C 2.259 177.999 175.800 -0.100 0.000 1.104 49 F CA 1.548 59.531 58.000 -0.029 0.000 1.232 49 F CB -0.550 38.471 39.000 0.036 0.000 0.987 49 F HN -0.025 nan 8.300 nan 0.000 0.475 50 A N 0.475 123.134 122.820 -0.268 0.000 1.883 50 A HA -0.234 4.091 4.320 0.009 0.000 0.217 50 A C 2.303 179.405 177.584 -0.803 0.000 1.186 50 A CA 2.020 53.700 52.037 -0.594 0.000 0.624 50 A CB -0.819 17.766 19.000 -0.692 0.000 0.822 50 A HN 0.471 nan 8.150 nan 0.000 0.444 51 K N -0.931 119.002 120.400 -0.779 0.000 2.113 51 K HA -0.141 4.185 4.320 0.009 0.000 0.208 51 K C 2.129 178.482 176.600 -0.411 0.000 1.047 51 K CA 1.802 57.701 56.287 -0.646 0.000 0.928 51 K CB -0.510 31.751 32.500 -0.399 0.000 0.716 51 K HN 0.514 nan 8.250 nan 0.000 0.446 52 T N 0.909 115.254 114.554 -0.347 0.000 2.684 52 T HA -0.186 4.169 4.350 0.009 0.000 0.267 52 T C 2.089 176.612 174.700 -0.295 0.000 1.036 52 T CA 1.461 63.403 62.100 -0.263 0.000 1.148 52 T CB -0.402 68.339 68.868 -0.212 0.000 0.863 52 T HN 0.340 nan 8.240 nan 0.000 0.436 53 c N 1.100 119.441 118.600 -0.432 0.000 2.432 53 c HA 0.066 4.642 4.570 0.009 0.000 0.282 53 c C 2.804 176.747 174.090 -0.244 0.000 1.388 53 c CA -0.158 55.962 56.329 -0.348 0.000 1.777 53 c CB -1.229 41.011 42.510 -0.450 0.000 1.882 53 c HN 0.363 nan 8.230 nan 0.000 0.520 54 V N 1.386 121.128 119.914 -0.287 0.000 2.379 54 V HA -0.147 3.978 4.120 0.009 0.000 0.245 54 V C 2.709 178.723 176.094 -0.134 0.000 1.044 54 V CA 2.148 64.330 62.300 -0.197 0.000 1.036 54 V CB -1.119 30.552 31.823 -0.253 0.000 0.664 54 V HN 0.575 nan 8.190 nan 0.000 0.453 55 A N -0.854 121.877 122.820 -0.150 0.000 1.898 55 A HA -0.122 4.203 4.320 0.009 0.000 0.216 55 A C 1.343 178.879 177.584 -0.080 0.000 1.181 55 A CA 1.593 53.570 52.037 -0.101 0.000 0.620 55 A CB -0.096 18.844 19.000 -0.100 0.000 0.819 55 A HN 0.503 nan 8.150 nan 0.000 0.442 56 D N -1.064 119.279 120.400 -0.095 0.000 2.358 56 D HA 0.200 4.846 4.640 0.009 0.000 0.253 56 D C 0.765 177.018 176.300 -0.077 0.000 1.288 56 D CA -0.078 53.880 54.000 -0.070 0.000 0.950 56 D CB 0.807 41.572 40.800 -0.058 0.000 1.197 56 D HN 0.520 nan 8.370 nan 0.000 0.550 57 E N 0.913 121.077 120.200 -0.061 0.000 2.219 57 E HA -0.191 4.164 4.350 0.009 0.000 0.198 57 E C 1.032 177.610 176.600 -0.038 0.000 0.998 57 E CA 0.875 57.243 56.400 -0.053 0.000 0.818 57 E CB 0.101 29.780 29.700 -0.035 0.000 0.741 57 E HN 0.145 nan 8.360 nan 0.000 0.477 58 S N -0.151 115.531 115.700 -0.030 0.000 2.577 58 S HA 0.384 4.859 4.470 0.009 0.000 0.219 58 S C 0.638 175.233 174.600 -0.007 0.000 0.962 58 S CA -0.010 58.183 58.200 -0.012 0.000 0.921 58 S CB -0.093 63.102 63.200 -0.008 0.000 0.789 58 S HN 0.473 nan 8.310 nan 0.000 0.497 59 A N 1.367 124.173 122.820 -0.024 0.000 2.409 59 A HA 0.263 4.588 4.320 0.009 0.000 0.246 59 A C 0.308 177.911 177.584 0.032 0.000 1.099 59 A CA -0.268 51.762 52.037 -0.011 0.000 0.789 59 A CB -0.079 18.893 19.000 -0.047 0.000 1.053 59 A HN 0.649 nan 8.150 nan 0.000 0.503 60 E N 0.397 120.634 120.200 0.062 0.000 2.502 60 E HA -0.068 4.287 4.350 0.009 0.000 0.261 60 E C 0.210 176.930 176.600 0.200 0.000 0.974 60 E CA 0.677 57.139 56.400 0.103 0.000 0.936 60 E CB 0.007 29.762 29.700 0.091 0.000 0.926 60 E HN 0.671 nan 8.360 nan 0.000 0.459 61 N N 1.763 120.567 118.700 0.174 0.000 2.932 61 N HA -0.291 4.454 4.740 0.009 0.000 0.227 61 N C 0.979 176.702 175.510 0.356 0.000 0.854 61 N CA 1.398 54.589 53.050 0.234 0.000 1.064 61 N CB -1.860 36.751 38.487 0.207 0.000 1.029 61 N HN 0.522 nan 8.380 nan 0.000 0.619 62 c N 1.678 120.439 118.600 0.269 0.000 2.409 62 c HA -0.134 4.442 4.570 0.009 0.000 0.284 62 c C 2.090 176.255 174.090 0.124 0.000 1.354 62 c CA 1.195 57.602 56.329 0.130 0.000 1.787 62 c CB -1.002 41.476 42.510 -0.054 0.000 1.900 62 c HN 0.566 nan 8.230 nan 0.000 0.520 63 D N 0.411 120.882 120.400 0.117 0.000 2.355 63 D HA -0.030 4.615 4.640 0.009 0.000 0.218 63 D C 0.572 176.939 176.300 0.112 0.000 1.004 63 D CA 0.362 54.417 54.000 0.092 0.000 0.880 63 D CB -0.386 40.454 40.800 0.066 0.000 0.911 63 D HN 0.401 nan 8.370 nan 0.000 0.528 64 K N 1.124 121.613 120.400 0.147 0.000 2.326 64 K HA 0.201 4.526 4.320 0.009 0.000 0.275 64 K C 0.679 177.373 176.600 0.157 0.000 1.018 64 K CA -0.264 56.105 56.287 0.137 0.000 0.962 64 K CB 0.948 33.525 32.500 0.127 0.000 0.953 64 K HN 0.142 nan 8.250 nan 0.000 0.475 65 S N 2.091 117.876 115.700 0.142 0.000 2.584 65 S HA 0.058 4.534 4.470 0.009 0.000 0.270 65 S C 1.413 176.119 174.600 0.176 0.000 1.346 65 S CA -0.558 57.740 58.200 0.162 0.000 1.018 65 S CB 0.433 63.733 63.200 0.167 0.000 0.899 65 S HN 0.559 nan 8.310 nan 0.000 0.542 66 L N 0.695 122.016 121.223 0.164 0.000 2.042 66 L HA -0.133 4.212 4.340 0.009 0.000 0.210 66 L C 2.581 179.493 176.870 0.071 0.000 1.076 66 L CA 1.765 56.666 54.840 0.102 0.000 0.749 66 L CB -0.926 41.138 42.059 0.008 0.000 0.893 66 L HN 0.793 nan 8.230 nan 0.000 0.432 67 H N -0.664 118.458 119.070 0.086 0.000 2.290 67 H HA -0.155 4.406 4.556 0.009 0.000 0.298 67 H C 2.392 177.794 175.328 0.123 0.000 1.087 67 H CA 2.118 58.227 56.048 0.103 0.000 1.291 67 H CB -0.448 29.366 29.762 0.087 0.000 1.369 67 H HN 0.219 nan 8.280 nan 0.000 0.492 68 T N 0.856 115.546 114.554 0.227 0.000 2.652 68 T HA -0.169 4.187 4.350 0.009 0.000 0.267 68 T C 2.238 176.993 174.700 0.091 0.000 1.039 68 T CA 1.437 63.622 62.100 0.142 0.000 1.153 68 T CB -0.491 68.446 68.868 0.115 0.000 0.863 68 T HN 0.147 nan 8.240 nan 0.000 0.428 69 L N -0.254 121.026 121.223 0.096 0.000 1.989 69 L HA -0.074 4.271 4.340 0.009 0.000 0.211 69 L C 2.340 179.232 176.870 0.037 0.000 1.071 69 L CA 1.523 56.387 54.840 0.040 0.000 0.749 69 L CB -0.611 41.503 42.059 0.092 0.000 0.890 69 L HN 0.167 nan 8.230 nan 0.000 0.431 70 F N 0.885 120.784 119.950 -0.084 0.000 2.126 70 F HA -0.180 4.352 4.527 0.009 0.000 0.299 70 F C 2.187 177.876 175.800 -0.185 0.000 1.096 70 F CA 1.573 59.467 58.000 -0.177 0.000 1.255 70 F CB -0.733 38.066 39.000 -0.335 0.000 0.997 70 F HN -0.001 nan 8.300 nan 0.000 0.479 71 G N -0.319 108.396 108.800 -0.142 0.000 2.418 71 G HA2 -0.248 3.717 3.960 0.009 0.000 0.217 71 G HA3 -0.248 3.717 3.960 0.009 0.000 0.217 71 G C 1.436 176.238 174.900 -0.164 0.000 1.158 71 G CA 0.983 45.973 45.100 -0.183 0.000 0.771 71 G HN 0.342 nan 8.290 nan 0.000 0.545 72 D N 0.563 120.906 120.400 -0.095 0.000 2.117 72 D HA -0.067 4.578 4.640 0.009 0.000 0.197 72 D C 2.439 178.657 176.300 -0.137 0.000 0.987 72 D CA 0.705 54.654 54.000 -0.086 0.000 0.829 72 D CB -0.069 40.687 40.800 -0.073 0.000 0.961 72 D HN 0.064 nan 8.370 nan 0.000 0.460 73 K N 0.613 120.912 120.400 -0.168 0.000 2.063 73 K HA -0.109 4.216 4.320 0.009 0.000 0.208 73 K C 2.164 178.623 176.600 -0.235 0.000 1.048 73 K CA 0.248 56.433 56.287 -0.170 0.000 0.928 73 K CB -0.678 31.788 32.500 -0.057 0.000 0.713 73 K HN 0.113 nan 8.250 nan 0.000 0.442 74 L N 0.981 121.995 121.223 -0.349 0.000 2.012 74 L HA -0.213 4.133 4.340 0.009 0.000 0.210 74 L C 2.208 178.948 176.870 -0.218 0.000 1.073 74 L CA 1.604 56.199 54.840 -0.408 0.000 0.748 74 L CB -0.827 40.729 42.059 -0.839 0.000 0.891 74 L HN 0.144 nan 8.230 nan 0.000 0.431 75 c N -1.422 117.100 118.600 -0.130 0.000 2.511 75 c HA -0.046 4.529 4.570 0.009 0.000 0.277 75 c C 2.534 176.598 174.090 -0.043 0.000 1.451 75 c CA 0.864 57.182 56.329 -0.017 0.000 1.735 75 c CB -1.573 40.959 42.510 0.037 0.000 1.704 75 c HN 0.546 nan 8.230 nan 0.000 0.571 76 T N 0.693 115.193 114.554 -0.091 0.000 2.896 76 T HA -0.033 4.323 4.350 0.009 0.000 0.263 76 T C 0.886 175.537 174.700 -0.081 0.000 1.050 76 T CA 0.685 62.731 62.100 -0.091 0.000 1.140 76 T CB -0.061 68.732 68.868 -0.126 0.000 0.877 76 T HN 0.267 nan 8.240 nan 0.000 0.457 77 V N 2.745 122.604 119.914 -0.092 0.000 2.486 77 V HA 0.043 4.169 4.120 0.009 0.000 0.290 77 V C 1.598 177.679 176.094 -0.022 0.000 0.991 77 V CA 0.111 62.373 62.300 -0.064 0.000 1.142 77 V CB -0.269 31.530 31.823 -0.040 0.000 0.926 77 V HN 0.458 nan 8.190 nan 0.000 0.472 78 A N 4.721 127.522 122.820 -0.031 0.000 1.969 78 A HA -0.097 4.229 4.320 0.009 0.000 0.218 78 A C 2.110 179.691 177.584 -0.005 0.000 1.169 78 A CA 1.695 53.720 52.037 -0.020 0.000 0.635 78 A CB -0.458 18.523 19.000 -0.032 0.000 0.810 78 A HN 0.936 nan 8.150 nan 0.000 0.445 79 T N -2.363 112.189 114.554 -0.005 0.000 3.252 79 T HA 0.153 4.509 4.350 0.009 0.000 0.250 79 T C 1.391 176.113 174.700 0.036 0.000 1.123 79 T CA 0.553 62.649 62.100 -0.008 0.000 1.006 79 T CB -0.276 68.569 68.868 -0.039 0.000 0.992 79 T HN 0.090 nan 8.240 nan 0.000 0.547 80 L N 2.159 123.442 121.223 0.099 0.000 1.963 80 L HA -0.077 4.269 4.340 0.009 0.000 0.220 80 L C 2.802 179.780 176.870 0.180 0.000 1.076 80 L CA 2.034 57.005 54.840 0.218 0.000 0.772 80 L CB -0.690 41.456 42.059 0.145 0.000 0.892 80 L HN 0.316 nan 8.230 nan 0.000 0.435 81 R N -0.526 120.024 120.500 0.084 0.000 2.096 81 R HA -0.193 4.152 4.340 0.009 0.000 0.235 81 R C 2.190 178.500 176.300 0.017 0.000 1.127 81 R CA 1.677 57.807 56.100 0.049 0.000 0.968 81 R CB -0.332 29.981 30.300 0.021 0.000 0.861 81 R HN 0.754 nan 8.270 nan 0.000 0.440 82 E N -0.823 119.372 120.200 -0.008 0.000 2.072 82 E HA -0.106 4.250 4.350 0.009 0.000 0.190 82 E C 1.305 177.851 176.600 -0.090 0.000 0.982 82 E CA 1.566 57.941 56.400 -0.041 0.000 0.803 82 E CB -0.216 29.457 29.700 -0.044 0.000 0.755 82 E HN 0.211 nan 8.360 nan 0.000 0.453 83 T N -0.366 114.095 114.554 -0.156 0.000 2.937 83 T HA -0.026 4.330 4.350 0.009 0.000 0.260 83 T C 0.653 175.060 174.700 -0.487 0.000 1.051 83 T CA 0.986 62.859 62.100 -0.378 0.000 1.141 83 T CB -0.145 68.361 68.868 -0.603 0.000 0.879 83 T HN 0.261 nan 8.240 nan 0.000 0.459 84 Y N 0.490 120.797 120.300 0.011 0.000 2.481 84 Y HA 0.435 4.991 4.550 0.009 0.000 0.247 84 Y C 1.904 177.794 175.900 -0.018 0.000 1.151 84 Y CA -0.552 57.557 58.100 0.015 0.000 1.238 84 Y CB -0.270 38.215 38.460 0.043 0.000 1.179 84 Y HN 0.302 nan 8.280 nan 0.000 0.524 85 G N 1.105 109.949 108.800 0.074 0.000 2.690 85 G HA2 -0.488 3.477 3.960 0.009 0.000 0.334 85 G HA3 -0.488 3.477 3.960 0.009 0.000 0.334 85 G C 1.333 176.227 174.900 -0.011 0.000 1.250 85 G CA 1.108 46.222 45.100 0.023 0.000 0.994 85 G HN 0.366 nan 8.290 nan 0.000 0.549 86 E N -0.419 119.745 120.200 -0.060 0.000 2.164 86 E HA -0.310 4.046 4.350 0.009 0.000 0.206 86 E C 2.554 178.976 176.600 -0.297 0.000 1.032 86 E CA 1.875 58.178 56.400 -0.163 0.000 0.832 86 E CB -0.210 29.373 29.700 -0.196 0.000 0.742 86 E HN 0.528 nan 8.360 nan 0.000 0.460 87 M N 0.156 119.561 119.600 -0.325 0.000 2.144 87 M HA -0.240 4.246 4.480 0.009 0.000 0.260 87 M C 2.174 178.419 176.300 -0.091 0.000 1.067 87 M CA 1.821 56.959 55.300 -0.270 0.000 1.095 87 M CB -0.071 32.520 32.600 -0.016 0.000 1.365 87 M HN 0.146 nan 8.290 nan 0.000 0.406 88 A N 0.216 123.031 122.820 -0.008 0.000 1.978 88 A HA -0.202 4.123 4.320 0.009 0.000 0.220 88 A C 1.537 179.103 177.584 -0.030 0.000 1.170 88 A CA 2.004 54.056 52.037 0.026 0.000 0.636 88 A CB -0.855 18.170 19.000 0.041 0.000 0.810 88 A HN 0.612 nan 8.150 nan 0.000 0.448 89 D N -0.617 119.739 120.400 -0.075 0.000 2.350 89 D HA -0.087 4.558 4.640 0.009 0.000 0.216 89 D C 1.739 177.974 176.300 -0.109 0.000 0.968 89 D CA 0.864 54.820 54.000 -0.073 0.000 0.894 89 D CB -0.481 40.279 40.800 -0.065 0.000 0.909 89 D HN 0.485 nan 8.370 nan 0.000 0.520 90 c N 0.196 118.676 118.600 -0.199 0.000 2.440 90 c HA -0.109 4.466 4.570 0.009 0.000 0.278 90 c C 2.807 176.752 174.090 -0.242 0.000 1.295 90 c CA 0.000 56.117 56.329 -0.353 0.000 1.738 90 c CB -0.891 41.074 42.510 -0.908 0.000 1.987 90 c HN 0.442 nan 8.230 nan 0.000 0.492 91 c N 1.143 119.685 118.600 -0.097 0.000 2.443 91 c HA 0.023 4.599 4.570 0.009 0.000 0.290 91 c C 2.662 176.753 174.090 0.002 0.000 1.476 91 c CA 1.025 57.369 56.329 0.026 0.000 1.772 91 c CB -1.844 40.711 42.510 0.074 0.000 1.714 91 c HN 0.716 nan 8.230 nan 0.000 0.562 92 A N -0.258 122.545 122.820 -0.027 0.000 2.238 92 A HA 0.114 4.439 4.320 0.009 0.000 0.210 92 A C 0.853 178.428 177.584 -0.015 0.000 1.179 92 A CA 0.348 52.375 52.037 -0.016 0.000 0.827 92 A CB -0.020 18.969 19.000 -0.019 0.000 0.856 92 A HN 0.652 nan 8.150 nan 0.000 0.488 93 K N -0.280 120.104 120.400 -0.026 0.000 2.106 93 K HA 0.561 4.886 4.320 0.009 0.000 0.246 93 K C 0.285 176.888 176.600 0.005 0.000 0.987 93 K CA -0.130 56.148 56.287 -0.016 0.000 0.904 93 K CB 0.502 32.981 32.500 -0.034 0.000 1.071 93 K HN 0.267 nan 8.250 nan 0.000 0.453 94 Q N 1.396 121.203 119.800 0.011 0.000 2.352 94 Q HA -0.024 4.321 4.340 0.009 0.000 0.260 94 Q C 0.985 177.007 176.000 0.036 0.000 0.976 94 Q CA 0.151 55.968 55.803 0.023 0.000 0.881 94 Q CB 0.513 29.262 28.738 0.018 0.000 1.235 94 Q HN 0.767 nan 8.270 nan 0.000 0.419 95 E N 2.308 122.539 120.200 0.052 0.000 2.095 95 E HA -0.215 4.141 4.350 0.009 0.000 0.212 95 E C -0.529 176.113 176.600 0.070 0.000 1.044 95 E CA 2.939 59.386 56.400 0.078 0.000 0.857 95 E CB -0.982 28.768 29.700 0.084 0.000 0.764 95 E HN 0.725 nan 8.360 nan 0.000 0.462 96 P HA -0.204 nan 4.420 nan 0.000 0.218 96 P C 0.647 177.970 177.300 0.039 0.000 1.154 96 P CA 2.136 65.250 63.100 0.023 0.000 0.872 96 P CB -0.168 31.539 31.700 0.011 0.000 0.790 97 E N -0.701 119.521 120.200 0.036 0.000 2.340 97 E HA -0.004 4.351 4.350 0.009 0.000 0.194 97 E C 2.358 178.970 176.600 0.021 0.000 0.996 97 E CA -0.110 56.309 56.400 0.031 0.000 0.869 97 E CB -0.318 29.390 29.700 0.013 0.000 0.835 97 E HN 0.188 nan 8.360 nan 0.000 0.493 98 R N 1.774 122.291 120.500 0.030 0.000 2.083 98 R HA -0.205 4.140 4.340 0.009 0.000 0.237 98 R C 2.179 178.529 176.300 0.083 0.000 1.137 98 R CA 2.013 58.106 56.100 -0.011 0.000 0.951 98 R CB -0.152 30.207 30.300 0.097 0.000 0.851 98 R HN 0.069 nan 8.270 nan 0.000 0.434 99 N N 0.335 119.194 118.700 0.265 0.000 2.142 99 N HA -0.205 4.540 4.740 0.009 0.000 0.186 99 N C 1.620 177.304 175.510 0.291 0.000 1.023 99 N CA 1.683 54.978 53.050 0.408 0.000 0.852 99 N CB -0.119 38.591 38.487 0.371 0.000 0.998 99 N HN 0.209 nan 8.380 nan 0.000 0.424 100 E N -0.033 120.267 120.200 0.166 0.000 2.110 100 E HA -0.125 4.231 4.350 0.009 0.000 0.193 100 E C 2.045 178.702 176.600 0.094 0.000 0.988 100 E CA 0.892 57.371 56.400 0.132 0.000 0.804 100 E CB -0.955 28.811 29.700 0.109 0.000 0.745 100 E HN 0.482 nan 8.360 nan 0.000 0.458 101 c N -0.482 118.131 118.600 0.022 0.000 2.440 101 c HA -0.080 4.496 4.570 0.009 0.000 0.278 101 c C 2.358 176.459 174.090 0.019 0.000 1.295 101 c CA 0.604 56.907 56.329 -0.043 0.000 1.738 101 c CB -1.501 40.900 42.510 -0.182 0.000 1.987 101 c HN 0.455 nan 8.230 nan 0.000 0.492 102 F N 0.609 120.684 119.950 0.209 0.000 2.186 102 F HA -0.032 4.500 4.527 0.009 0.000 0.299 102 F C 2.175 178.142 175.800 0.278 0.000 1.090 102 F CA 1.067 59.235 58.000 0.279 0.000 1.307 102 F CB -0.863 38.297 39.000 0.266 0.000 1.019 102 F HN 0.098 nan 8.300 nan 0.000 0.489 103 L N 0.119 121.561 121.223 0.365 0.000 2.012 103 L HA -0.234 4.112 4.340 0.009 0.000 0.210 103 L C 2.275 179.195 176.870 0.083 0.000 1.073 103 L CA 1.768 56.710 54.840 0.170 0.000 0.748 103 L CB -1.718 40.349 42.059 0.014 0.000 0.891 103 L HN 0.293 nan 8.230 nan 0.000 0.431 104 Q N -1.323 118.474 119.800 -0.004 0.000 2.368 104 Q HA -0.179 4.167 4.340 0.009 0.000 0.210 104 Q C 1.225 177.022 176.000 -0.338 0.000 0.982 104 Q CA 1.011 56.702 55.803 -0.186 0.000 0.884 104 Q CB -0.098 28.444 28.738 -0.326 0.000 0.933 104 Q HN 0.634 nan 8.270 nan 0.000 0.460 105 H N -0.353 118.787 119.070 0.117 0.000 2.755 105 H HA 0.163 4.725 4.556 0.009 0.000 0.273 105 H C 0.074 175.460 175.328 0.097 0.000 1.055 105 H CA -0.047 56.068 56.048 0.111 0.000 1.191 105 H CB 0.432 30.266 29.762 0.119 0.000 1.536 105 H HN 0.064 nan 8.280 nan 0.000 0.529 106 K N 2.759 123.230 120.400 0.119 0.000 2.166 106 K HA -0.028 4.297 4.320 0.009 0.000 0.273 106 K C -0.649 175.962 176.600 0.019 0.000 1.095 106 K CA -0.218 56.048 56.287 -0.035 0.000 0.985 106 K CB -0.122 32.206 32.500 -0.287 0.000 1.172 106 K HN -0.017 nan 8.250 nan 0.000 0.401 107 D N 3.241 123.677 120.400 0.059 0.000 2.412 107 D HA -0.113 4.533 4.640 0.009 0.000 0.257 107 D C 0.931 177.274 176.300 0.072 0.000 1.217 107 D CA 0.362 54.412 54.000 0.084 0.000 0.897 107 D CB 0.761 41.613 40.800 0.088 0.000 1.132 107 D HN 0.587 nan 8.370 nan 0.000 0.493 108 D N 3.430 123.932 120.400 0.170 0.000 2.264 108 D HA -0.197 4.448 4.640 0.009 0.000 0.208 108 D C -0.267 176.090 176.300 0.094 0.000 0.966 108 D CA 0.672 54.820 54.000 0.248 0.000 0.864 108 D CB 0.205 41.178 40.800 0.289 0.000 0.933 108 D HN 0.398 nan 8.370 nan 0.000 0.499 109 N N 0.206 118.932 118.700 0.045 0.000 2.653 109 N HA 0.222 4.967 4.740 0.009 0.000 0.261 109 N C -2.980 172.527 175.510 -0.006 0.000 1.216 109 N CA -1.108 51.939 53.050 -0.005 0.000 0.784 109 N CB 1.878 40.367 38.487 0.003 0.000 1.327 109 N HN -0.156 nan 8.380 nan 0.000 0.539 110 P HA 0.327 nan 4.420 nan 0.000 0.276 110 P C -0.642 176.648 177.300 -0.016 0.000 1.261 110 P CA -0.325 62.771 63.100 -0.006 0.000 0.800 110 P CB 0.854 32.549 31.700 -0.008 0.000 1.066 111 N N -0.127 118.570 118.700 -0.004 0.000 3.324 111 N HA 0.229 4.974 4.740 0.009 0.000 0.302 111 N C -0.634 174.869 175.510 -0.012 0.000 1.360 111 N CA -0.200 52.845 53.050 -0.008 0.000 1.190 111 N CB -0.494 37.993 38.487 -0.001 0.000 1.462 111 N HN 0.199 nan 8.380 nan 0.000 0.532 112 L N 0.687 121.895 121.223 -0.024 0.000 2.360 112 L HA 0.545 4.891 4.340 0.009 0.000 0.271 112 L C -1.765 175.090 176.870 -0.025 0.000 1.057 112 L CA -2.008 52.816 54.840 -0.028 0.000 0.803 112 L CB 0.505 42.535 42.059 -0.049 0.000 1.207 112 L HN 0.081 nan 8.230 nan 0.000 0.445 113 P HA 0.115 nan 4.420 nan 0.000 0.269 113 P C -1.171 176.122 177.300 -0.011 0.000 1.209 113 P CA -0.534 62.559 63.100 -0.011 0.000 0.776 113 P CB 0.360 32.056 31.700 -0.006 0.000 0.876 114 R N 2.004 122.502 120.500 -0.003 0.000 2.522 114 R HA 0.208 4.553 4.340 0.009 0.000 0.284 114 R C -0.420 175.887 176.300 0.010 0.000 1.032 114 R CA -0.604 55.498 56.100 0.003 0.000 1.049 114 R CB -0.306 30.000 30.300 0.010 0.000 0.956 114 R HN 0.212 nan 8.270 nan 0.000 0.422 115 L N 4.437 125.669 121.223 0.015 0.000 2.462 115 L HA 0.060 4.405 4.340 0.009 0.000 0.272 115 L C -0.086 176.810 176.870 0.044 0.000 1.166 115 L CA 0.166 55.026 54.840 0.033 0.000 0.880 115 L CB 1.238 43.323 42.059 0.042 0.000 1.142 115 L HN 0.654 nan 8.230 nan 0.000 0.473 116 V N 3.308 123.254 119.914 0.055 0.000 2.539 116 V HA 0.555 4.680 4.120 0.009 0.000 0.292 116 V C 0.233 176.371 176.094 0.074 0.000 1.045 116 V CA -1.029 61.303 62.300 0.054 0.000 0.945 116 V CB 1.362 33.213 31.823 0.046 0.000 0.993 116 V HN 0.790 nan 8.190 nan 0.000 0.464 117 R N 5.366 125.901 120.500 0.059 0.000 2.210 117 R HA 0.440 4.786 4.340 0.009 0.000 0.338 117 R C -2.048 174.300 176.300 0.079 0.000 1.062 117 R CA -1.336 54.802 56.100 0.063 0.000 0.902 117 R CB 0.750 31.076 30.300 0.044 0.000 1.050 117 R HN 0.837 nan 8.270 nan 0.000 0.461 118 P HA 0.076 nan 4.420 nan 0.000 0.275 118 P C -0.838 176.521 177.300 0.099 0.000 1.266 118 P CA -0.362 62.806 63.100 0.113 0.000 0.793 118 P CB 0.697 32.494 31.700 0.161 0.000 1.074 119 E N -0.534 119.715 120.200 0.083 0.000 2.398 119 E HA 0.030 4.386 4.350 0.009 0.000 0.263 119 E C 1.421 178.065 176.600 0.074 0.000 1.046 119 E CA -0.422 56.016 56.400 0.064 0.000 0.908 119 E CB 0.768 30.497 29.700 0.049 0.000 0.963 119 E HN 0.084 nan 8.360 nan 0.000 0.431 120 V N 3.153 123.096 119.914 0.047 0.000 2.278 120 V HA -0.331 3.795 4.120 0.009 0.000 0.251 120 V C 1.513 177.634 176.094 0.044 0.000 1.062 120 V CA 2.114 64.436 62.300 0.036 0.000 1.038 120 V CB -0.444 31.373 31.823 -0.010 0.000 0.646 120 V HN 0.657 nan 8.190 nan 0.000 0.447 121 D N 0.095 120.516 120.400 0.035 0.000 2.123 121 D HA -0.144 4.501 4.640 0.009 0.000 0.196 121 D C 2.220 178.547 176.300 0.045 0.000 0.992 121 D CA 1.861 55.882 54.000 0.034 0.000 0.833 121 D CB -0.498 40.321 40.800 0.031 0.000 0.954 121 D HN 0.522 nan 8.370 nan 0.000 0.455 122 V N -1.072 118.880 119.914 0.064 0.000 2.307 122 V HA -0.242 3.883 4.120 0.009 0.000 0.245 122 V C 2.264 178.414 176.094 0.092 0.000 1.045 122 V CA 1.324 63.672 62.300 0.079 0.000 1.024 122 V CB -0.732 31.148 31.823 0.096 0.000 0.651 122 V HN 0.067 nan 8.190 nan 0.000 0.449 123 M N -0.050 119.632 119.600 0.136 0.000 2.065 123 M HA -0.176 4.309 4.480 0.009 0.000 0.259 123 M C 2.533 178.780 176.300 -0.088 0.000 1.071 123 M CA 2.589 57.985 55.300 0.160 0.000 1.109 123 M CB -0.971 31.860 32.600 0.385 0.000 1.313 123 M HN 0.516 nan 8.290 nan 0.000 0.408 124 c N 0.319 118.924 118.600 0.009 0.000 2.401 124 c HA -0.162 4.413 4.570 0.009 0.000 0.276 124 c C 2.944 176.951 174.090 -0.139 0.000 1.233 124 c CA 1.579 57.861 56.329 -0.078 0.000 1.753 124 c CB -1.183 41.286 42.510 -0.069 0.000 2.029 124 c HN 0.599 nan 8.230 nan 0.000 0.478 125 T N 0.816 115.340 114.554 -0.051 0.000 2.777 125 T HA -0.093 4.262 4.350 0.009 0.000 0.266 125 T C 2.100 176.779 174.700 -0.035 0.000 1.040 125 T CA 1.576 63.677 62.100 0.002 0.000 1.141 125 T CB -0.385 68.503 68.868 0.034 0.000 0.868 125 T HN 0.651 nan 8.240 nan 0.000 0.444 126 A N 1.107 123.872 122.820 -0.092 0.000 1.902 126 A HA -0.012 4.313 4.320 0.009 0.000 0.217 126 A C 1.993 179.398 177.584 -0.298 0.000 1.181 126 A CA 1.251 53.228 52.037 -0.100 0.000 0.623 126 A CB -0.977 18.053 19.000 0.050 0.000 0.818 126 A HN 0.458 nan 8.150 nan 0.000 0.443 127 F N 0.507 119.954 119.950 -0.838 0.000 2.065 127 F HA -0.253 4.279 4.527 0.009 0.000 0.298 127 F C 2.265 177.901 175.800 -0.274 0.000 1.112 127 F CA 2.376 59.852 58.000 -0.873 0.000 1.212 127 F CB -0.735 37.718 39.000 -0.912 0.000 0.975 127 F HN 0.455 nan 8.300 nan 0.000 0.476 128 H N -0.990 117.947 119.070 -0.221 0.000 2.389 128 H HA -0.150 4.411 4.556 0.009 0.000 0.299 128 H C 1.811 177.028 175.328 -0.185 0.000 1.081 128 H CA 0.931 56.853 56.048 -0.210 0.000 1.345 128 H CB -0.059 29.680 29.762 -0.038 0.000 1.393 128 H HN 0.259 nan 8.280 nan 0.000 0.520 129 D N 0.211 120.612 120.400 0.002 0.000 2.178 129 D HA -0.098 4.548 4.640 0.009 0.000 0.202 129 D C 0.414 176.691 176.300 -0.038 0.000 0.974 129 D CA 1.171 55.164 54.000 -0.012 0.000 0.841 129 D CB 0.061 40.865 40.800 0.007 0.000 0.953 129 D HN 0.223 nan 8.370 nan 0.000 0.478 130 N N 0.064 118.724 118.700 -0.068 0.000 2.824 130 N HA -0.038 4.708 4.740 0.009 0.000 0.224 130 N C 0.334 175.805 175.510 -0.066 0.000 1.418 130 N CA -0.092 52.933 53.050 -0.042 0.000 0.743 130 N CB 0.714 39.215 38.487 0.025 0.000 1.395 130 N HN -0.101 nan 8.380 nan 0.000 0.548 131 E N 0.771 120.843 120.200 -0.215 0.000 2.114 131 E HA -0.241 4.114 4.350 0.009 0.000 0.199 131 E C 0.974 177.575 176.600 0.001 0.000 1.008 131 E CA 1.406 57.618 56.400 -0.313 0.000 0.810 131 E CB 0.326 29.765 29.700 -0.435 0.000 0.739 131 E HN 0.572 nan 8.360 nan 0.000 0.456 132 E N -0.607 119.608 120.200 0.026 0.000 2.028 132 E HA -0.152 4.203 4.350 0.009 0.000 0.190 132 E C 2.200 178.882 176.600 0.136 0.000 0.984 132 E CA 1.810 58.264 56.400 0.090 0.000 0.800 132 E CB -0.101 29.643 29.700 0.073 0.000 0.758 132 E HN 0.417 nan 8.360 nan 0.000 0.448 133 T N -1.101 113.534 114.554 0.136 0.000 2.962 133 T HA -0.144 4.211 4.350 0.009 0.000 0.270 133 T C 1.740 176.485 174.700 0.075 0.000 1.088 133 T CA 0.801 62.998 62.100 0.160 0.000 1.127 133 T CB -0.465 68.499 68.868 0.160 0.000 0.883 133 T HN 0.167 nan 8.240 nan 0.000 0.493 134 F N 1.699 121.637 119.950 -0.019 0.000 2.128 134 F HA 0.240 4.772 4.527 0.009 0.000 0.295 134 F C 1.876 177.703 175.800 0.044 0.000 1.100 134 F CA 0.920 58.913 58.000 -0.013 0.000 1.260 134 F CB -0.279 38.734 39.000 0.021 0.000 1.009 134 F HN 0.089 nan 8.300 nan 0.000 0.476 135 L N 0.035 121.308 121.223 0.085 0.000 2.179 135 L HA -0.127 4.218 4.340 0.009 0.000 0.208 135 L C 2.398 179.260 176.870 -0.014 0.000 1.096 135 L CA 0.739 55.586 54.840 0.012 0.000 0.779 135 L CB -0.603 41.553 42.059 0.161 0.000 0.922 135 L HN -0.013 nan 8.230 nan 0.000 0.443 136 K N 0.282 120.707 120.400 0.042 0.000 2.103 136 K HA -0.095 4.230 4.320 0.009 0.000 0.204 136 K C 2.015 178.589 176.600 -0.043 0.000 1.052 136 K CA 0.886 57.260 56.287 0.144 0.000 0.945 136 K CB -0.165 32.557 32.500 0.370 0.000 0.722 136 K HN 0.223 nan 8.250 nan 0.000 0.443 137 K N 0.101 120.170 120.400 -0.550 0.000 2.063 137 K HA -0.144 4.181 4.320 0.009 0.000 0.208 137 K C 2.252 178.500 176.600 -0.586 0.000 1.048 137 K CA 1.439 57.044 56.287 -1.137 0.000 0.928 137 K CB -0.190 31.647 32.500 -1.105 0.000 0.713 137 K HN 0.149 nan 8.250 nan 0.000 0.442 138 Y N 0.424 120.481 120.300 -0.405 0.000 2.286 138 Y HA -0.133 4.422 4.550 0.009 0.000 0.293 138 Y C 2.076 177.834 175.900 -0.236 0.000 1.124 138 Y CA 0.408 58.297 58.100 -0.352 0.000 1.178 138 Y CB -0.297 37.860 38.460 -0.504 0.000 1.010 138 Y HN -0.034 nan 8.280 nan 0.000 0.536 139 L N -0.627 120.588 121.223 -0.014 0.000 2.042 139 L HA -0.261 4.085 4.340 0.009 0.000 0.210 139 L C 2.293 179.180 176.870 0.029 0.000 1.076 139 L CA 1.817 56.656 54.840 -0.003 0.000 0.749 139 L CB -1.190 40.898 42.059 0.049 0.000 0.893 139 L HN 0.379 nan 8.230 nan 0.000 0.432 140 Y N 0.215 120.495 120.300 -0.033 0.000 2.145 140 Y HA -0.214 4.341 4.550 0.009 0.000 0.286 140 Y C 2.360 178.241 175.900 -0.030 0.000 1.145 140 Y CA 2.005 60.116 58.100 0.018 0.000 1.148 140 Y CB -0.233 38.340 38.460 0.189 0.000 0.981 140 Y HN 0.252 nan 8.280 nan 0.000 0.507 141 E N 0.326 120.339 120.200 -0.313 0.000 2.110 141 E HA -0.164 4.192 4.350 0.009 0.000 0.193 141 E C 2.259 178.722 176.600 -0.228 0.000 0.988 141 E CA 1.272 57.451 56.400 -0.367 0.000 0.804 141 E CB -0.187 29.392 29.700 -0.202 0.000 0.745 141 E HN 0.515 nan 8.360 nan 0.000 0.458 142 I N 0.826 121.310 120.570 -0.144 0.000 2.233 142 I HA -0.123 4.052 4.170 0.009 0.000 0.243 142 I C 2.434 178.511 176.117 -0.066 0.000 1.093 142 I CA 0.913 62.157 61.300 -0.093 0.000 1.380 142 I CB -1.543 36.350 38.000 -0.179 0.000 1.067 142 I HN -0.070 nan 8.210 nan 0.000 0.413 143 A N 2.049 124.801 122.820 -0.113 0.000 1.940 143 A HA -0.219 4.107 4.320 0.009 0.000 0.219 143 A C 2.401 179.922 177.584 -0.106 0.000 1.176 143 A CA 1.831 53.816 52.037 -0.086 0.000 0.631 143 A CB -0.665 18.294 19.000 -0.069 0.000 0.814 143 A HN 0.552 nan 8.150 nan 0.000 0.446 144 R N -0.801 119.584 120.500 -0.191 0.000 2.148 144 R HA 0.006 4.351 4.340 0.009 0.000 0.223 144 R C 1.856 178.057 176.300 -0.164 0.000 1.088 144 R CA 1.282 57.271 56.100 -0.184 0.000 0.985 144 R CB -0.331 29.797 30.300 -0.287 0.000 0.880 144 R HN 0.420 nan 8.270 nan 0.000 0.451 145 R N -0.082 120.308 120.500 -0.184 0.000 2.240 145 R HA 0.053 4.398 4.340 0.009 0.000 0.203 145 R C -0.040 175.944 176.300 -0.526 0.000 1.011 145 R CA 0.671 56.594 56.100 -0.295 0.000 1.007 145 R CB 0.188 30.325 30.300 -0.272 0.000 0.911 145 R HN 0.398 nan 8.270 nan 0.000 0.468 146 H N -1.115 117.919 119.070 -0.061 0.000 2.379 146 H HA 0.196 4.758 4.556 0.009 0.000 0.229 146 H C -2.082 173.248 175.328 0.003 0.000 1.423 146 H CA -1.740 54.317 56.048 0.015 0.000 1.375 146 H CB 1.161 30.943 29.762 0.033 0.000 1.592 146 H HN -0.054 nan 8.280 nan 0.000 0.507 147 P HA -0.235 nan 4.420 nan 0.000 0.218 147 P C 0.385 177.431 177.300 -0.423 0.000 1.146 147 P CA 1.578 64.496 63.100 -0.304 0.000 0.820 147 P CB 0.074 31.498 31.700 -0.460 0.000 0.778 148 Y N -3.978 116.365 120.300 0.072 0.000 2.478 148 Y HA 0.227 4.782 4.550 0.010 0.000 0.261 148 Y C 1.026 177.016 175.900 0.150 0.000 1.127 148 Y CA -0.685 57.461 58.100 0.076 0.000 1.288 148 Y CB -0.391 38.099 38.460 0.050 0.000 1.084 148 Y HN -0.178 nan 8.280 nan 0.000 0.530 149 F N 1.256 121.307 119.950 0.169 0.000 2.602 149 F HA -0.075 4.457 4.527 0.009 0.000 0.385 149 F C 0.414 176.313 175.800 0.166 0.000 1.063 149 F CA -0.834 57.260 58.000 0.157 0.000 1.233 149 F CB 0.086 39.140 39.000 0.090 0.000 1.067 149 F HN 0.026 nan 8.300 nan 0.000 0.564 150 Y N 6.907 127.202 120.300 -0.007 0.000 2.745 150 Y HA 0.138 4.693 4.550 0.009 0.000 0.335 150 Y C 1.058 177.093 175.900 0.225 0.000 1.212 150 Y CA -0.244 57.895 58.100 0.066 0.000 1.535 150 Y CB 0.310 38.760 38.460 -0.016 0.000 1.220 150 Y HN 0.774 nan 8.280 nan 0.000 0.531 151 A N 7.707 130.393 122.820 -0.225 0.000 1.881 151 A HA -0.223 4.102 4.320 0.009 0.000 0.219 151 A C -0.276 177.179 177.584 -0.216 0.000 1.215 151 A CA 2.114 54.034 52.037 -0.195 0.000 0.648 151 A CB -1.889 16.956 19.000 -0.258 0.000 0.832 151 A HN 0.717 nan 8.150 nan 0.000 0.455 152 P HA -0.187 nan 4.420 nan 0.000 0.216 152 P C 1.467 178.775 177.300 0.013 0.000 1.150 152 P CA 1.667 64.615 63.100 -0.254 0.000 0.843 152 P CB -0.040 31.445 31.700 -0.358 0.000 0.787 153 E N -0.910 119.371 120.200 0.136 0.000 2.107 153 E HA -0.160 4.195 4.350 0.009 0.000 0.191 153 E C 1.791 178.770 176.600 0.631 0.000 0.982 153 E CA 0.552 57.180 56.400 0.380 0.000 0.809 153 E CB -0.443 29.569 29.700 0.520 0.000 0.756 153 E HN 0.027 nan 8.360 nan 0.000 0.459 154 L N 0.966 122.509 121.223 0.533 0.000 2.131 154 L HA -0.126 4.219 4.340 0.009 0.000 0.210 154 L C 2.102 179.109 176.870 0.228 0.000 1.092 154 L CA 1.119 56.129 54.840 0.284 0.000 0.759 154 L CB -0.428 41.668 42.059 0.061 0.000 0.903 154 L HN 0.214 nan 8.230 nan 0.000 0.435 155 L N -1.442 119.888 121.223 0.178 0.000 2.072 155 L HA -0.127 4.218 4.340 0.009 0.000 0.205 155 L C 2.301 179.265 176.870 0.156 0.000 1.079 155 L CA 1.632 56.546 54.840 0.123 0.000 0.752 155 L CB -0.992 41.105 42.059 0.062 0.000 0.906 155 L HN 0.344 nan 8.230 nan 0.000 0.436 156 F N -0.656 119.308 119.950 0.023 0.000 2.161 156 F HA -0.278 4.255 4.527 0.009 0.000 0.300 156 F C 1.937 177.706 175.800 -0.052 0.000 1.089 156 F CA 1.637 59.584 58.000 -0.088 0.000 1.282 156 F CB -0.406 38.408 39.000 -0.310 0.000 1.010 156 F HN 0.101 nan 8.300 nan 0.000 0.485 157 F N 0.312 120.324 119.950 0.103 0.000 2.206 157 F HA -0.019 4.513 4.527 0.008 0.000 0.298 157 F C 2.553 178.431 175.800 0.130 0.000 1.090 157 F CA 1.151 59.200 58.000 0.081 0.000 1.323 157 F CB -1.135 37.984 39.000 0.198 0.000 1.028 157 F HN 0.059 nan 8.300 nan 0.000 0.492 158 A N 0.081 123.067 122.820 0.276 0.000 1.940 158 A HA -0.220 4.105 4.320 0.009 0.000 0.219 158 A C 2.201 179.889 177.584 0.173 0.000 1.176 158 A CA 1.690 53.855 52.037 0.214 0.000 0.631 158 A CB -0.566 18.505 19.000 0.118 0.000 0.814 158 A HN 0.340 nan 8.150 nan 0.000 0.446 159 K N -0.709 119.712 120.400 0.035 0.000 2.148 159 K HA -0.079 4.246 4.320 0.009 0.000 0.204 159 K C 2.190 178.754 176.600 -0.061 0.000 1.050 159 K CA 1.238 57.512 56.287 -0.022 0.000 0.942 159 K CB -0.132 32.303 32.500 -0.108 0.000 0.724 159 K HN 0.420 nan 8.250 nan 0.000 0.446 160 R N -0.396 120.008 120.500 -0.159 0.000 2.090 160 R HA -0.070 4.276 4.340 0.009 0.000 0.228 160 R C 1.972 178.221 176.300 -0.086 0.000 1.110 160 R CA 1.111 57.094 56.100 -0.195 0.000 0.973 160 R CB -0.234 29.866 30.300 -0.334 0.000 0.869 160 R HN 0.190 nan 8.270 nan 0.000 0.440 161 Y N 1.295 121.622 120.300 0.045 0.000 2.181 161 Y HA -0.222 4.333 4.550 0.009 0.000 0.288 161 Y C 2.498 178.551 175.900 0.254 0.000 1.146 161 Y CA 1.543 59.735 58.100 0.154 0.000 1.164 161 Y CB -0.095 38.466 38.460 0.168 0.000 0.982 161 Y HN -0.037 nan 8.280 nan 0.000 0.515 162 K N 0.168 120.770 120.400 0.336 0.000 2.026 162 K HA -0.204 4.122 4.320 0.009 0.000 0.208 162 K C 2.291 179.016 176.600 0.208 0.000 1.048 162 K CA 1.286 57.761 56.287 0.314 0.000 0.929 162 K CB -0.353 32.311 32.500 0.274 0.000 0.713 162 K HN 0.239 nan 8.250 nan 0.000 0.439 163 A N 1.089 123.973 122.820 0.108 0.000 1.908 163 A HA -0.143 4.182 4.320 0.009 0.000 0.218 163 A C 2.336 179.910 177.584 -0.017 0.000 1.181 163 A CA 2.027 54.088 52.037 0.041 0.000 0.627 163 A CB -0.900 18.091 19.000 -0.016 0.000 0.818 163 A HN 0.521 nan 8.150 nan 0.000 0.445 164 A N -1.847 120.932 122.820 -0.069 0.000 2.015 164 A HA 0.085 4.410 4.320 0.009 0.000 0.219 164 A C 1.884 179.263 177.584 -0.342 0.000 1.163 164 A CA 1.325 53.236 52.037 -0.209 0.000 0.646 164 A CB -0.596 18.223 19.000 -0.300 0.000 0.806 164 A HN 0.481 nan 8.150 nan 0.000 0.448 165 F N -0.317 119.435 119.950 -0.330 0.000 2.179 165 F HA -0.035 4.497 4.527 0.009 0.000 0.292 165 F C 2.723 178.218 175.800 -0.509 0.000 1.089 165 F CA 1.689 59.292 58.000 -0.661 0.000 1.295 165 F CB -0.757 37.373 39.000 -1.449 0.000 1.041 165 F HN 0.091 nan 8.300 nan 0.000 0.487 166 T N -0.341 114.172 114.554 -0.068 0.000 2.665 166 T HA -0.289 4.067 4.350 0.009 0.000 0.268 166 T C 1.879 176.633 174.700 0.090 0.000 1.035 166 T CA 1.981 64.189 62.100 0.181 0.000 1.151 166 T CB -0.329 68.668 68.868 0.215 0.000 0.862 166 T HN 0.344 nan 8.240 nan 0.000 0.438 167 E N -0.389 119.814 120.200 0.006 0.000 2.016 167 E HA -0.118 4.237 4.350 0.009 0.000 0.190 167 E C 2.472 179.046 176.600 -0.044 0.000 0.985 167 E CA 1.224 57.615 56.400 -0.013 0.000 0.802 167 E CB -0.192 29.484 29.700 -0.040 0.000 0.762 167 E HN 0.454 nan 8.360 nan 0.000 0.448 168 c N 0.567 119.096 118.600 -0.119 0.000 2.425 168 c HA -0.113 4.462 4.570 0.009 0.000 0.277 168 c C 2.790 176.817 174.090 -0.105 0.000 1.280 168 c CA 0.449 56.693 56.329 -0.142 0.000 1.744 168 c CB -0.892 41.468 42.510 -0.251 0.000 1.989 168 c HN 0.637 nan 8.230 nan 0.000 0.491 169 c N 0.235 118.770 118.600 -0.107 0.000 2.466 169 c HA -0.064 4.511 4.570 0.009 0.000 0.283 169 c C 2.316 176.443 174.090 0.063 0.000 1.472 169 c CA 0.822 57.118 56.329 -0.055 0.000 1.765 169 c CB -1.807 40.623 42.510 -0.134 0.000 1.724 169 c HN 0.658 nan 8.230 nan 0.000 0.560 170 Q N 0.014 119.856 119.800 0.070 0.000 2.282 170 Q HA 0.285 4.630 4.340 0.009 0.000 0.206 170 Q C 0.829 176.856 176.000 0.044 0.000 0.878 170 Q CA -0.181 55.678 55.803 0.094 0.000 0.944 170 Q CB 0.353 29.151 28.738 0.099 0.000 1.100 170 Q HN 0.632 nan 8.270 nan 0.000 0.509 171 A N 0.297 123.125 122.820 0.014 0.000 2.351 171 A HA 0.511 4.836 4.320 0.009 0.000 0.257 171 A C 1.169 178.755 177.584 0.004 0.000 1.087 171 A CA 0.439 52.476 52.037 -0.001 0.000 0.798 171 A CB 0.455 19.440 19.000 -0.025 0.000 1.033 171 A HN 0.318 nan 8.150 nan 0.000 0.488 172 A N 0.872 123.693 122.820 0.002 0.000 1.859 172 A HA -0.095 4.230 4.320 0.009 0.000 0.217 172 A C 0.981 178.565 177.584 -0.001 0.000 1.198 172 A CA 2.206 54.245 52.037 0.004 0.000 0.629 172 A CB -0.464 18.536 19.000 0.001 0.000 0.830 172 A HN 0.826 nan 8.150 nan 0.000 0.446 173 D N -1.120 119.275 120.400 -0.009 0.000 2.472 173 D HA 0.310 4.955 4.640 0.009 0.000 0.234 173 D C 0.969 177.253 176.300 -0.028 0.000 1.088 173 D CA -0.486 53.505 54.000 -0.015 0.000 0.882 173 D CB 0.638 41.428 40.800 -0.015 0.000 1.037 173 D HN 0.052 nan 8.370 nan 0.000 0.520 174 K N 2.602 122.985 120.400 -0.029 0.000 1.987 174 K HA -0.184 4.141 4.320 0.009 0.000 0.216 174 K C 1.875 178.432 176.600 -0.072 0.000 1.051 174 K CA 1.443 57.698 56.287 -0.052 0.000 0.942 174 K CB -1.012 31.461 32.500 -0.045 0.000 0.722 174 K HN 0.463 nan 8.250 nan 0.000 0.444 175 A N 1.866 124.654 122.820 -0.054 0.000 1.884 175 A HA -0.226 4.100 4.320 0.009 0.000 0.219 175 A C 2.516 180.064 177.584 -0.060 0.000 1.197 175 A CA 2.997 55.001 52.037 -0.056 0.000 0.637 175 A CB -0.988 17.992 19.000 -0.033 0.000 0.827 175 A HN 0.424 nan 8.150 nan 0.000 0.450 176 A N -1.737 121.055 122.820 -0.047 0.000 2.024 176 A HA -0.185 4.140 4.320 0.009 0.000 0.220 176 A C 2.365 179.915 177.584 -0.057 0.000 1.164 176 A CA 1.913 53.924 52.037 -0.043 0.000 0.643 176 A CB -1.146 17.835 19.000 -0.032 0.000 0.806 176 A HN 0.908 nan 8.150 nan 0.000 0.451 177 c N -2.012 116.543 118.600 -0.074 0.000 2.541 177 c HA 0.271 4.846 4.570 0.009 0.000 0.284 177 c C 2.341 176.349 174.090 -0.137 0.000 1.341 177 c CA 0.879 57.152 56.329 -0.094 0.000 1.732 177 c CB -1.052 41.403 42.510 -0.093 0.000 2.126 177 c HN 0.546 nan 8.230 nan 0.000 0.505 178 L N 0.746 121.866 121.223 -0.171 0.000 2.034 178 L HA 0.152 4.497 4.340 0.009 0.000 0.203 178 L C 2.250 179.005 176.870 -0.192 0.000 1.074 178 L CA 1.749 56.439 54.840 -0.250 0.000 0.748 178 L CB -1.044 40.817 42.059 -0.329 0.000 0.905 178 L HN 0.185 nan 8.230 nan 0.000 0.439 179 L N 0.706 121.851 121.223 -0.129 0.000 2.010 179 L HA -0.223 4.122 4.340 0.009 0.000 0.219 179 L C -0.391 176.435 176.870 -0.073 0.000 1.077 179 L CA 2.727 57.517 54.840 -0.083 0.000 0.773 179 L CB -2.466 39.562 42.059 -0.051 0.000 0.892 179 L HN 0.300 nan 8.230 nan 0.000 0.436 180 P HA -0.180 nan 4.420 nan 0.000 0.216 180 P C 1.513 178.769 177.300 -0.074 0.000 1.153 180 P CA 1.463 64.530 63.100 -0.055 0.000 0.844 180 P CB -0.019 31.654 31.700 -0.045 0.000 0.787 181 K N -0.324 120.007 120.400 -0.114 0.000 2.103 181 K HA -0.073 4.252 4.320 0.009 0.000 0.207 181 K C 2.354 178.851 176.600 -0.172 0.000 1.048 181 K CA 1.064 57.262 56.287 -0.148 0.000 0.930 181 K CB -0.539 31.841 32.500 -0.199 0.000 0.716 181 K HN 0.176 nan 8.250 nan 0.000 0.444 182 L N 0.858 121.988 121.223 -0.155 0.000 2.072 182 L HA -0.188 4.157 4.340 0.009 0.000 0.205 182 L C 1.883 178.737 176.870 -0.026 0.000 1.079 182 L CA 1.033 55.817 54.840 -0.093 0.000 0.752 182 L CB -0.356 41.679 42.059 -0.041 0.000 0.906 182 L HN 0.179 nan 8.230 nan 0.000 0.436 183 D N -0.217 120.169 120.400 -0.023 0.000 2.144 183 D HA -0.225 4.420 4.640 0.009 0.000 0.199 183 D C 1.999 178.308 176.300 0.015 0.000 0.984 183 D CA 1.105 55.109 54.000 0.006 0.000 0.834 183 D CB 0.047 40.849 40.800 0.003 0.000 0.955 183 D HN 0.382 nan 8.370 nan 0.000 0.465 184 E N 0.073 120.270 120.200 -0.006 0.000 2.106 184 E HA -0.148 4.208 4.350 0.009 0.000 0.192 184 E C 1.991 178.616 176.600 0.041 0.000 0.984 184 E CA 0.341 56.752 56.400 0.018 0.000 0.806 184 E CB 0.129 29.827 29.700 -0.004 0.000 0.750 184 E HN 0.041 nan 8.360 nan 0.000 0.458 185 L N 1.430 122.638 121.223 -0.025 0.000 2.046 185 L HA -0.147 4.198 4.340 0.009 0.000 0.208 185 L C 2.571 179.512 176.870 0.118 0.000 1.077 185 L CA 1.574 56.407 54.840 -0.011 0.000 0.747 185 L CB -1.209 40.583 42.059 -0.445 0.000 0.896 185 L HN 0.151 nan 8.230 nan 0.000 0.432 186 R N -0.207 120.354 120.500 0.102 0.000 2.088 186 R HA -0.180 4.166 4.340 0.009 0.000 0.232 186 R C 1.940 178.276 176.300 0.059 0.000 1.136 186 R CA 1.963 58.110 56.100 0.079 0.000 0.926 186 R CB -0.249 30.091 30.300 0.067 0.000 0.837 186 R HN 0.328 nan 8.270 nan 0.000 0.429 187 D N 0.382 120.828 120.400 0.076 0.000 2.106 187 D HA -0.222 4.423 4.640 0.009 0.000 0.191 187 D C 1.778 178.161 176.300 0.139 0.000 0.997 187 D CA 1.443 55.499 54.000 0.093 0.000 0.834 187 D CB -0.374 40.480 40.800 0.091 0.000 0.956 187 D HN 0.441 nan 8.370 nan 0.000 0.448 188 E N 0.076 120.390 120.200 0.190 0.000 2.118 188 E HA -0.142 4.213 4.350 0.009 0.000 0.195 188 E C 2.125 178.908 176.600 0.306 0.000 0.992 188 E CA 1.153 57.729 56.400 0.294 0.000 0.804 188 E CB -0.197 29.726 29.700 0.372 0.000 0.741 188 E HN 0.296 nan 8.360 nan 0.000 0.458 189 G N 0.930 109.789 108.800 0.099 0.000 2.402 189 G HA2 -0.238 3.728 3.960 0.009 0.000 0.216 189 G HA3 -0.238 3.728 3.960 0.009 0.000 0.216 189 G C 1.447 176.310 174.900 -0.062 0.000 1.162 189 G CA 0.553 45.474 45.100 -0.298 0.000 0.777 189 G HN 0.149 nan 8.290 nan 0.000 0.539 190 K N 0.622 121.018 120.400 -0.007 0.000 2.097 190 K HA 0.085 4.410 4.320 0.009 0.000 0.205 190 K C 2.899 179.555 176.600 0.093 0.000 1.050 190 K CA 0.892 57.198 56.287 0.032 0.000 0.938 190 K CB -0.148 32.376 32.500 0.039 0.000 0.718 190 K HN 0.269 nan 8.250 nan 0.000 0.442 191 A N 1.140 124.035 122.820 0.126 0.000 1.873 191 A HA -0.161 4.164 4.320 0.009 0.000 0.215 191 A C 2.262 179.921 177.584 0.126 0.000 1.186 191 A CA 1.917 54.033 52.037 0.132 0.000 0.616 191 A CB -0.657 18.445 19.000 0.170 0.000 0.823 191 A HN 0.271 nan 8.150 nan 0.000 0.442 192 S N -0.623 115.194 115.700 0.196 0.000 2.382 192 S HA -0.160 4.315 4.470 0.009 0.000 0.228 192 S C 2.329 176.970 174.600 0.069 0.000 1.027 192 S CA 2.031 60.344 58.200 0.187 0.000 0.991 192 S CB -0.474 62.979 63.200 0.421 0.000 0.823 192 S HN 0.624 nan 8.310 nan 0.000 0.469 193 S N 0.797 116.600 115.700 0.172 0.000 2.348 193 S HA -0.005 4.470 4.470 0.009 0.000 0.221 193 S C 2.151 176.795 174.600 0.073 0.000 1.033 193 S CA 1.486 59.777 58.200 0.151 0.000 1.010 193 S CB -0.910 62.433 63.200 0.239 0.000 0.891 193 S HN 0.723 nan 8.310 nan 0.000 0.442 194 A N 1.205 124.070 122.820 0.075 0.000 1.978 194 A HA -0.098 4.227 4.320 0.009 0.000 0.220 194 A C 2.117 179.705 177.584 0.007 0.000 1.170 194 A CA 1.623 53.687 52.037 0.046 0.000 0.636 194 A CB -0.510 18.520 19.000 0.049 0.000 0.810 194 A HN 0.650 nan 8.150 nan 0.000 0.448 195 K N -0.672 119.725 120.400 -0.005 0.000 2.155 195 K HA -0.110 4.215 4.320 0.009 0.000 0.203 195 K C 2.218 178.774 176.600 -0.073 0.000 1.052 195 K CA 1.338 57.597 56.287 -0.046 0.000 0.948 195 K CB -0.137 32.337 32.500 -0.043 0.000 0.728 195 K HN 0.628 nan 8.250 nan 0.000 0.448 196 Q N 0.319 120.081 119.800 -0.063 0.000 2.083 196 Q HA -0.067 4.279 4.340 0.009 0.000 0.198 196 Q C 2.069 178.038 176.000 -0.052 0.000 0.969 196 Q CA 1.090 56.853 55.803 -0.067 0.000 0.838 196 Q CB 0.031 28.707 28.738 -0.104 0.000 0.900 196 Q HN 0.222 nan 8.270 nan 0.000 0.436 197 R N 0.149 120.628 120.500 -0.035 0.000 2.092 197 R HA -0.111 4.235 4.340 0.009 0.000 0.231 197 R C 2.207 178.474 176.300 -0.057 0.000 1.119 197 R CA 0.677 56.752 56.100 -0.042 0.000 0.970 197 R CB -0.237 30.058 30.300 -0.010 0.000 0.864 197 R HN 0.136 nan 8.270 nan 0.000 0.440 198 L N 1.634 122.824 121.223 -0.055 0.000 1.976 198 L HA -0.202 4.143 4.340 0.009 0.000 0.209 198 L C 2.576 179.393 176.870 -0.088 0.000 1.071 198 L CA 2.644 57.446 54.840 -0.063 0.000 0.746 198 L CB -0.856 41.159 42.059 -0.073 0.000 0.890 198 L HN 0.084 nan 8.230 nan 0.000 0.432 199 K N -1.334 118.987 120.400 -0.132 0.000 2.152 199 K HA -0.202 4.124 4.320 0.009 0.000 0.206 199 K C 2.043 178.598 176.600 -0.074 0.000 1.048 199 K CA 2.000 58.201 56.287 -0.143 0.000 0.933 199 K CB -2.092 30.285 32.500 -0.204 0.000 0.721 199 K HN 0.694 nan 8.250 nan 0.000 0.447 200 c N -0.494 118.058 118.600 -0.081 0.000 2.486 200 c HA 0.304 4.880 4.570 0.009 0.000 0.279 200 c C 3.254 177.286 174.090 -0.097 0.000 1.302 200 c CA 0.416 56.689 56.329 -0.093 0.000 1.720 200 c CB -0.458 41.994 42.510 -0.097 0.000 2.030 200 c HN 0.758 nan 8.230 nan 0.000 0.490 201 A N 0.940 123.708 122.820 -0.087 0.000 1.877 201 A HA -0.159 4.166 4.320 0.009 0.000 0.216 201 A C 2.250 179.777 177.584 -0.094 0.000 1.186 201 A CA 2.393 54.373 52.037 -0.096 0.000 0.620 201 A CB -0.943 18.010 19.000 -0.079 0.000 0.822 201 A HN 0.545 nan 8.150 nan 0.000 0.443 202 S N -0.189 115.500 115.700 -0.018 0.000 2.359 202 S HA -0.197 4.278 4.470 0.009 0.000 0.223 202 S C 1.877 176.540 174.600 0.106 0.000 1.039 202 S CA 1.515 59.792 58.200 0.128 0.000 1.042 202 S CB -0.642 62.652 63.200 0.156 0.000 0.915 202 S HN 0.506 nan 8.310 nan 0.000 0.439 203 L N 1.062 122.301 121.223 0.027 0.000 2.127 203 L HA -0.272 4.074 4.340 0.009 0.000 0.211 203 L C 3.073 179.898 176.870 -0.074 0.000 1.089 203 L CA 1.870 56.673 54.840 -0.062 0.000 0.757 203 L CB -0.762 41.132 42.059 -0.275 0.000 0.899 203 L HN 0.559 nan 8.230 nan 0.000 0.434 204 Q N -0.033 119.708 119.800 -0.098 0.000 2.061 204 Q HA -0.200 4.145 4.340 0.009 0.000 0.195 204 Q C 2.138 178.051 176.000 -0.143 0.000 0.967 204 Q CA 1.513 57.247 55.803 -0.116 0.000 0.829 204 Q CB -0.411 28.253 28.738 -0.123 0.000 0.900 204 Q HN 0.523 nan 8.270 nan 0.000 0.450 205 K N -0.313 119.941 120.400 -0.242 0.000 1.967 205 K HA 0.046 4.371 4.320 0.009 0.000 0.212 205 K C 1.910 178.308 176.600 -0.336 0.000 1.044 205 K CA 1.595 57.638 56.287 -0.407 0.000 0.942 205 K CB -0.320 31.697 32.500 -0.805 0.000 0.726 205 K HN 0.472 nan 8.250 nan 0.000 0.440 206 F N 0.891 120.840 119.950 -0.001 0.000 2.451 206 F HA 0.032 4.565 4.527 0.010 0.000 0.299 206 F C 1.382 177.198 175.800 0.026 0.000 1.101 206 F CA 0.429 58.439 58.000 0.016 0.000 1.436 206 F CB -0.228 38.789 39.000 0.028 0.000 1.074 206 F HN 0.300 nan 8.300 nan 0.000 0.553 207 G N 0.491 109.379 108.800 0.146 0.000 2.710 207 G HA2 -0.263 3.702 3.960 0.009 0.000 0.668 207 G HA3 -0.263 3.702 3.960 0.009 0.000 0.668 207 G C 0.271 175.250 174.900 0.131 0.000 1.320 207 G CA -0.068 45.092 45.100 0.100 0.000 0.860 207 G HN 0.253 nan 8.290 nan 0.000 0.538 208 E N -0.477 119.776 120.200 0.090 0.000 2.106 208 E HA -0.112 4.243 4.350 0.009 0.000 0.192 208 E C 2.519 179.232 176.600 0.188 0.000 0.984 208 E CA 1.209 57.678 56.400 0.115 0.000 0.806 208 E CB -0.025 29.710 29.700 0.059 0.000 0.750 208 E HN 0.500 nan 8.360 nan 0.000 0.458 209 R N 0.073 120.664 120.500 0.151 0.000 2.073 209 R HA -0.136 4.209 4.340 0.009 0.000 0.234 209 R C 2.206 178.607 176.300 0.168 0.000 1.134 209 R CA 1.427 57.616 56.100 0.148 0.000 0.952 209 R CB -0.285 30.085 30.300 0.117 0.000 0.850 209 R HN 0.162 nan 8.270 nan 0.000 0.433 210 A N 0.088 123.011 122.820 0.173 0.000 1.972 210 A HA -0.179 4.146 4.320 0.009 0.000 0.219 210 A C 1.961 179.662 177.584 0.195 0.000 1.169 210 A CA 1.191 53.316 52.037 0.147 0.000 0.635 210 A CB -0.705 18.366 19.000 0.118 0.000 0.810 210 A HN 0.535 nan 8.150 nan 0.000 0.446 211 F N 0.661 120.668 119.950 0.095 0.000 2.084 211 F HA -0.098 4.434 4.527 0.009 0.000 0.296 211 F C 2.179 178.071 175.800 0.154 0.000 1.111 211 F CA 2.066 60.122 58.000 0.093 0.000 1.224 211 F CB -0.157 38.868 39.000 0.043 0.000 0.991 211 F HN 0.093 nan 8.300 nan 0.000 0.471 212 K N 0.207 120.776 120.400 0.281 0.000 2.103 212 K HA -0.170 4.155 4.320 0.009 0.000 0.207 212 K C 2.263 178.916 176.600 0.088 0.000 1.048 212 K CA 1.166 57.557 56.287 0.174 0.000 0.930 212 K CB -0.551 32.065 32.500 0.193 0.000 0.716 212 K HN 0.369 nan 8.250 nan 0.000 0.444 213 A N 0.839 123.722 122.820 0.105 0.000 1.877 213 A HA -0.204 4.121 4.320 0.009 0.000 0.216 213 A C 1.949 179.543 177.584 0.017 0.000 1.186 213 A CA 1.362 53.442 52.037 0.073 0.000 0.620 213 A CB -0.975 18.072 19.000 0.078 0.000 0.822 213 A HN 0.579 nan 8.150 nan 0.000 0.443 214 W N 0.491 121.690 121.300 -0.169 0.000 2.335 214 W HA -0.160 4.504 4.660 0.007 0.000 0.311 214 W C 2.527 178.884 176.519 -0.270 0.000 1.213 214 W CA 2.499 59.702 57.345 -0.237 0.000 1.274 214 W CB -0.133 29.137 29.460 -0.318 0.000 1.148 214 W HN 0.371 nan 8.180 nan 0.000 0.498 215 A N -0.548 122.252 122.820 -0.033 0.000 1.902 215 A HA -0.168 4.158 4.320 0.009 0.000 0.217 215 A C 1.985 179.495 177.584 -0.123 0.000 1.181 215 A CA 2.145 54.125 52.037 -0.096 0.000 0.623 215 A CB -1.217 17.719 19.000 -0.106 0.000 0.818 215 A HN 0.166 nan 8.150 nan 0.000 0.443 216 V N -0.084 119.794 119.914 -0.060 0.000 2.261 216 V HA -0.274 3.852 4.120 0.009 0.000 0.246 216 V C 3.086 179.137 176.094 -0.071 0.000 1.047 216 V CA 2.072 64.370 62.300 -0.003 0.000 1.015 216 V CB -1.284 30.596 31.823 0.095 0.000 0.642 216 V HN 0.623 nan 8.190 nan 0.000 0.446 217 A N 0.134 122.850 122.820 -0.174 0.000 1.883 217 A HA -0.281 4.044 4.320 0.009 0.000 0.217 217 A C 2.304 179.674 177.584 -0.357 0.000 1.186 217 A CA 2.331 54.212 52.037 -0.260 0.000 0.624 217 A CB -0.570 18.228 19.000 -0.336 0.000 0.822 217 A HN 0.459 nan 8.150 nan 0.000 0.444 218 R N 0.016 120.193 120.500 -0.538 0.000 2.081 218 R HA 0.020 4.366 4.340 0.009 0.000 0.235 218 R C 1.847 177.906 176.300 -0.402 0.000 1.131 218 R CA 1.561 57.310 56.100 -0.584 0.000 0.960 218 R CB -0.660 29.111 30.300 -0.881 0.000 0.856 218 R HN 0.520 nan 8.270 nan 0.000 0.436 219 L N -0.202 120.843 121.223 -0.297 0.000 2.291 219 L HA -0.007 4.338 4.340 0.009 0.000 0.214 219 L C 1.930 178.683 176.870 -0.194 0.000 1.120 219 L CA 0.969 55.638 54.840 -0.286 0.000 0.799 219 L CB -0.239 41.779 42.059 -0.070 0.000 0.925 219 L HN 0.199 nan 8.230 nan 0.000 0.446 220 S N -0.525 115.117 115.700 -0.096 0.000 2.414 220 S HA -0.121 4.355 4.470 0.009 0.000 0.227 220 S C 1.904 176.424 174.600 -0.135 0.000 1.022 220 S CA 0.832 59.026 58.200 -0.011 0.000 0.958 220 S CB 0.024 63.248 63.200 0.039 0.000 0.797 220 S HN 0.468 nan 8.310 nan 0.000 0.493 221 Q N 0.733 120.407 119.800 -0.210 0.000 2.083 221 Q HA 0.015 4.361 4.340 0.009 0.000 0.198 221 Q C 2.388 178.256 176.000 -0.221 0.000 0.969 221 Q CA 0.839 56.514 55.803 -0.213 0.000 0.838 221 Q CB -0.126 28.476 28.738 -0.227 0.000 0.900 221 Q HN 0.363 nan 8.270 nan 0.000 0.436 222 R N -0.003 120.289 120.500 -0.347 0.000 2.066 222 R HA -0.068 4.277 4.340 0.009 0.000 0.232 222 R C -0.045 176.060 176.300 -0.325 0.000 1.131 222 R CA 0.944 56.746 56.100 -0.496 0.000 0.955 222 R CB 0.280 30.015 30.300 -0.943 0.000 0.851 222 R HN 0.103 nan 8.270 nan 0.000 0.432 223 F N 0.911 120.845 119.950 -0.027 0.000 2.471 223 F HA 0.353 4.886 4.527 0.010 0.000 0.318 223 F C -1.724 174.087 175.800 0.017 0.000 1.308 223 F CA -3.175 54.824 58.000 -0.001 0.000 1.162 223 F CB 1.427 40.440 39.000 0.021 0.000 1.383 223 F HN 0.000 nan 8.300 nan 0.000 0.552 224 P HA -0.152 nan 4.420 nan 0.000 0.225 224 P C 0.908 178.246 177.300 0.064 0.000 1.148 224 P CA 1.273 64.383 63.100 0.017 0.000 0.779 224 P CB 0.394 32.052 31.700 -0.070 0.000 0.780 225 K N -0.534 119.929 120.400 0.105 0.000 2.356 225 K HA 0.214 4.539 4.320 0.009 0.000 0.195 225 K C 1.164 177.841 176.600 0.129 0.000 1.037 225 K CA -0.102 56.239 56.287 0.090 0.000 1.014 225 K CB 0.091 32.621 32.500 0.050 0.000 0.815 225 K HN 0.060 nan 8.250 nan 0.000 0.507 226 A N 2.041 124.965 122.820 0.172 0.000 2.445 226 A HA 0.324 4.649 4.320 0.009 0.000 0.242 226 A C 0.264 177.973 177.584 0.208 0.000 1.075 226 A CA -0.035 52.089 52.037 0.145 0.000 0.777 226 A CB 0.009 19.088 19.000 0.132 0.000 1.013 226 A HN 0.358 nan 8.150 nan 0.000 0.493 227 E N 0.511 120.771 120.200 0.100 0.000 2.392 227 E HA 0.353 4.708 4.350 0.009 0.000 0.259 227 E C 0.443 176.960 176.600 -0.139 0.000 1.108 227 E CA 0.088 56.524 56.400 0.060 0.000 0.916 227 E CB 0.034 29.758 29.700 0.039 0.000 0.989 227 E HN 1.054 nan 8.360 nan 0.000 0.432 228 F N 1.174 120.797 119.950 -0.546 0.000 2.269 228 F HA 0.049 4.581 4.527 0.009 0.000 0.301 228 F C 2.291 177.903 175.800 -0.312 0.000 1.082 228 F CA 1.899 59.419 58.000 -0.800 0.000 1.360 228 F CB -0.250 38.261 39.000 -0.814 0.000 1.041 228 F HN 0.543 nan 8.300 nan 0.000 0.512 229 A N -0.476 122.190 122.820 -0.258 0.000 1.968 229 A HA -0.117 4.208 4.320 0.009 0.000 0.217 229 A C 2.045 179.499 177.584 -0.218 0.000 1.169 229 A CA 1.508 53.406 52.037 -0.231 0.000 0.638 229 A CB -0.645 18.325 19.000 -0.052 0.000 0.812 229 A HN 0.415 nan 8.150 nan 0.000 0.446 230 E N -0.071 120.037 120.200 -0.152 0.000 2.046 230 E HA -0.080 4.275 4.350 0.009 0.000 0.190 230 E C 1.859 178.406 176.600 -0.088 0.000 0.982 230 E CA 1.390 57.752 56.400 -0.064 0.000 0.800 230 E CB -0.359 29.333 29.700 -0.013 0.000 0.756 230 E HN 0.211 nan 8.360 nan 0.000 0.449 231 V N 0.359 120.178 119.914 -0.159 0.000 2.407 231 V HA -0.252 3.873 4.120 0.009 0.000 0.248 231 V C 2.298 178.263 176.094 -0.215 0.000 1.055 231 V CA 1.947 64.179 62.300 -0.113 0.000 1.049 231 V CB -0.593 31.181 31.823 -0.081 0.000 0.662 231 V HN 0.229 nan 8.190 nan 0.000 0.455 232 S N -0.733 114.690 115.700 -0.462 0.000 2.368 232 S HA -0.200 4.275 4.470 0.009 0.000 0.225 232 S C 2.098 176.588 174.600 -0.183 0.000 1.030 232 S CA 1.276 59.239 58.200 -0.395 0.000 0.999 232 S CB -0.309 62.554 63.200 -0.562 0.000 0.844 232 S HN 0.436 nan 8.310 nan 0.000 0.459 233 K N 1.598 121.902 120.400 -0.159 0.000 2.001 233 K HA -0.076 4.250 4.320 0.009 0.000 0.214 233 K C 1.996 178.548 176.600 -0.080 0.000 1.050 233 K CA 1.425 57.645 56.287 -0.112 0.000 0.934 233 K CB -0.783 31.663 32.500 -0.090 0.000 0.718 233 K HN 0.361 nan 8.250 nan 0.000 0.443 234 L N 0.663 121.873 121.223 -0.023 0.000 2.083 234 L HA -0.176 4.169 4.340 0.009 0.000 0.209 234 L C 2.494 179.401 176.870 0.061 0.000 1.083 234 L CA 0.800 55.667 54.840 0.044 0.000 0.752 234 L CB -0.467 41.669 42.059 0.129 0.000 0.899 234 L HN -0.052 nan 8.230 nan 0.000 0.433 235 V N -0.615 119.322 119.914 0.039 0.000 2.427 235 V HA -0.235 3.890 4.120 0.009 0.000 0.248 235 V C 2.527 178.686 176.094 0.107 0.000 1.051 235 V CA 2.139 64.487 62.300 0.080 0.000 1.048 235 V CB -0.669 31.180 31.823 0.044 0.000 0.666 235 V HN 0.474 nan 8.190 nan 0.000 0.456 236 T N -0.091 114.489 114.554 0.044 0.000 2.643 236 T HA -0.185 4.170 4.350 0.009 0.000 0.264 236 T C 1.671 176.395 174.700 0.041 0.000 1.045 236 T CA 1.756 63.878 62.100 0.037 0.000 1.155 236 T CB -0.402 68.458 68.868 -0.014 0.000 0.863 236 T HN 0.465 nan 8.240 nan 0.000 0.420 237 D N 1.157 121.560 120.400 0.006 0.000 2.149 237 D HA -0.020 4.625 4.640 0.009 0.000 0.198 237 D C 2.128 178.462 176.300 0.056 0.000 0.990 237 D CA 0.679 54.677 54.000 -0.002 0.000 0.839 237 D CB -0.432 40.335 40.800 -0.055 0.000 0.948 237 D HN 0.288 nan 8.370 nan 0.000 0.460 238 L N 0.535 121.837 121.223 0.131 0.000 2.141 238 L HA -0.134 4.211 4.340 0.009 0.000 0.209 238 L C 2.424 179.500 176.870 0.343 0.000 1.094 238 L CA 1.025 56.014 54.840 0.250 0.000 0.763 238 L CB -0.379 41.870 42.059 0.318 0.000 0.908 238 L HN 0.035 nan 8.230 nan 0.000 0.437 239 T N -0.749 113.980 114.554 0.292 0.000 2.777 239 T HA -0.225 4.130 4.350 0.009 0.000 0.266 239 T C 1.909 176.612 174.700 0.006 0.000 1.040 239 T CA 1.365 63.574 62.100 0.182 0.000 1.141 239 T CB -0.035 68.942 68.868 0.181 0.000 0.868 239 T HN 0.251 nan 8.240 nan 0.000 0.444 240 K N 0.839 121.249 120.400 0.017 0.000 2.026 240 K HA -0.076 4.249 4.320 0.009 0.000 0.208 240 K C 2.246 178.820 176.600 -0.043 0.000 1.048 240 K CA 1.036 57.309 56.287 -0.023 0.000 0.929 240 K CB -0.377 32.112 32.500 -0.017 0.000 0.713 240 K HN 0.107 nan 8.250 nan 0.000 0.439 241 V N 1.525 121.410 119.914 -0.047 0.000 2.252 241 V HA -0.292 3.833 4.120 0.009 0.000 0.249 241 V C 2.391 178.346 176.094 -0.231 0.000 1.056 241 V CA 2.032 64.248 62.300 -0.141 0.000 1.022 241 V CB -0.663 31.048 31.823 -0.187 0.000 0.641 241 V HN 0.470 nan 8.190 nan 0.000 0.445 242 H N -0.491 118.535 119.070 -0.073 0.000 2.428 242 H HA -0.079 4.483 4.556 0.010 0.000 0.296 242 H C 2.459 177.686 175.328 -0.168 0.000 1.062 242 H CA 1.809 57.781 56.048 -0.126 0.000 1.350 242 H CB -0.306 29.375 29.762 -0.135 0.000 1.403 242 H HN 0.431 nan 8.280 nan 0.000 0.533 243 T N 0.546 115.039 114.554 -0.102 0.000 2.708 243 T HA -0.184 4.171 4.350 0.009 0.000 0.266 243 T C 2.405 177.086 174.700 -0.032 0.000 1.037 243 T CA 2.084 64.119 62.100 -0.109 0.000 1.146 243 T CB -0.298 68.499 68.868 -0.119 0.000 0.865 243 T HN 0.698 nan 8.240 nan 0.000 0.435 244 E N 0.205 120.392 120.200 -0.021 0.000 2.077 244 E HA -0.171 4.184 4.350 0.009 0.000 0.193 244 E C 2.348 178.980 176.600 0.054 0.000 0.989 244 E CA 1.598 58.021 56.400 0.039 0.000 0.800 244 E CB -1.433 28.278 29.700 0.018 0.000 0.746 244 E HN 0.724 nan 8.360 nan 0.000 0.452 245 c N -0.393 118.193 118.600 -0.023 0.000 2.446 245 c HA -0.013 4.562 4.570 0.009 0.000 0.279 245 c C 2.861 176.983 174.090 0.054 0.000 1.366 245 c CA 0.535 56.852 56.329 -0.019 0.000 1.763 245 c CB -1.117 41.293 42.510 -0.167 0.000 1.929 245 c HN 0.808 nan 8.230 nan 0.000 0.509 246 c N -1.042 117.585 118.600 0.046 0.000 2.475 246 c HA -0.095 4.480 4.570 0.009 0.000 0.279 246 c C 2.601 176.744 174.090 0.087 0.000 1.322 246 c CA 0.771 57.120 56.329 0.034 0.000 1.734 246 c CB -1.753 40.742 42.510 -0.026 0.000 2.005 246 c HN 0.705 nan 8.230 nan 0.000 0.495 247 H N 0.262 119.337 119.070 0.008 0.000 2.489 247 H HA -0.027 4.535 4.556 0.009 0.000 0.295 247 H C 1.894 177.306 175.328 0.141 0.000 1.082 247 H CA 1.082 57.154 56.048 0.040 0.000 1.295 247 H CB -0.081 29.702 29.762 0.035 0.000 1.380 247 H HN 0.563 nan 8.280 nan 0.000 0.548 248 G N 0.784 109.681 108.800 0.162 0.000 2.176 248 G HA2 -0.247 3.718 3.960 0.009 0.000 0.232 248 G HA3 -0.247 3.718 3.960 0.009 0.000 0.232 248 G C 0.026 174.958 174.900 0.053 0.000 0.986 248 G CA 0.237 45.447 45.100 0.184 0.000 0.643 248 G HN 0.541 nan 8.290 nan 0.000 0.522 249 D N 1.394 121.810 120.400 0.027 0.000 2.383 249 D HA 0.258 4.904 4.640 0.009 0.000 0.245 249 D C 1.810 178.161 176.300 0.086 0.000 1.263 249 D CA -0.301 53.745 54.000 0.076 0.000 0.936 249 D CB 0.591 41.466 40.800 0.125 0.000 1.053 249 D HN 0.157 nan 8.370 nan 0.000 0.507 250 L N 5.554 126.803 121.223 0.044 0.000 2.021 250 L HA -0.240 4.105 4.340 0.009 0.000 0.215 250 L C 1.923 178.804 176.870 0.019 0.000 1.074 250 L CA 1.806 56.664 54.840 0.029 0.000 0.760 250 L CB -0.555 41.454 42.059 -0.084 0.000 0.889 250 L HN 0.513 nan 8.230 nan 0.000 0.433 251 L N -0.975 120.207 121.223 -0.068 0.000 1.976 251 L HA -0.184 4.161 4.340 0.009 0.000 0.209 251 L C 2.703 179.619 176.870 0.078 0.000 1.071 251 L CA 1.490 56.299 54.840 -0.051 0.000 0.746 251 L CB -0.944 40.987 42.059 -0.213 0.000 0.890 251 L HN 0.295 nan 8.230 nan 0.000 0.432 252 E N -0.212 120.077 120.200 0.149 0.000 2.049 252 E HA -0.307 4.049 4.350 0.009 0.000 0.198 252 E C 2.263 178.909 176.600 0.076 0.000 1.007 252 E CA 1.765 58.241 56.400 0.126 0.000 0.809 252 E CB -0.753 29.025 29.700 0.131 0.000 0.749 252 E HN 0.567 nan 8.360 nan 0.000 0.450 253 c N 1.025 119.669 118.600 0.073 0.000 2.385 253 c HA -0.190 4.385 4.570 0.009 0.000 0.275 253 c C 2.925 177.037 174.090 0.037 0.000 1.207 253 c CA 1.760 58.104 56.329 0.026 0.000 1.760 253 c CB -1.093 41.448 42.510 0.051 0.000 2.051 253 c HN 0.489 nan 8.230 nan 0.000 0.467 254 A N -0.047 122.859 122.820 0.143 0.000 1.933 254 A HA -0.143 4.182 4.320 0.009 0.000 0.218 254 A C 1.878 179.518 177.584 0.093 0.000 1.175 254 A CA 2.220 54.367 52.037 0.184 0.000 0.628 254 A CB -0.691 18.405 19.000 0.160 0.000 0.814 254 A HN 0.678 nan 8.150 nan 0.000 0.444 255 D N 0.179 120.619 120.400 0.068 0.000 2.123 255 D HA -0.094 4.551 4.640 0.009 0.000 0.200 255 D C 1.341 177.666 176.300 0.041 0.000 0.976 255 D CA 1.192 55.227 54.000 0.058 0.000 0.831 255 D CB -0.361 40.480 40.800 0.067 0.000 0.974 255 D HN 0.369 nan 8.370 nan 0.000 0.469 256 D N 0.500 120.913 120.400 0.021 0.000 2.117 256 D HA -0.086 4.559 4.640 0.009 0.000 0.197 256 D C 2.138 178.432 176.300 -0.011 0.000 0.987 256 D CA 0.644 54.643 54.000 -0.002 0.000 0.829 256 D CB -0.072 40.711 40.800 -0.028 0.000 0.961 256 D HN 0.215 nan 8.370 nan 0.000 0.460 257 R N 0.703 121.185 120.500 -0.029 0.000 2.096 257 R HA -0.016 4.330 4.340 0.009 0.000 0.235 257 R C 2.306 178.622 176.300 0.027 0.000 1.127 257 R CA 1.107 57.188 56.100 -0.032 0.000 0.968 257 R CB -0.217 30.036 30.300 -0.079 0.000 0.861 257 R HN 0.088 nan 8.270 nan 0.000 0.440 258 A N 1.652 124.500 122.820 0.048 0.000 1.858 258 A HA -0.194 4.132 4.320 0.009 0.000 0.216 258 A C 1.632 179.254 177.584 0.063 0.000 1.190 258 A CA 1.703 53.776 52.037 0.059 0.000 0.617 258 A CB -0.427 18.608 19.000 0.058 0.000 0.827 258 A HN 0.155 nan 8.150 nan 0.000 0.443 259 D N -0.333 120.103 120.400 0.060 0.000 2.104 259 D HA -0.161 4.485 4.640 0.009 0.000 0.194 259 D C 1.869 178.227 176.300 0.098 0.000 0.994 259 D CA 1.489 55.532 54.000 0.072 0.000 0.830 259 D CB -0.512 40.319 40.800 0.051 0.000 0.959 259 D HN 0.297 nan 8.370 nan 0.000 0.452 260 L N 1.140 122.409 121.223 0.076 0.000 2.012 260 L HA -0.149 4.196 4.340 0.009 0.000 0.210 260 L C 2.214 179.166 176.870 0.137 0.000 1.073 260 L CA 1.946 56.851 54.840 0.108 0.000 0.748 260 L CB -0.947 41.151 42.059 0.064 0.000 0.891 260 L HN -0.013 nan 8.230 nan 0.000 0.431 261 A N -0.770 122.105 122.820 0.091 0.000 1.908 261 A HA -0.281 4.044 4.320 0.009 0.000 0.218 261 A C 2.473 180.095 177.584 0.063 0.000 1.181 261 A CA 2.066 54.148 52.037 0.074 0.000 0.627 261 A CB -0.634 18.404 19.000 0.063 0.000 0.818 261 A HN 0.524 nan 8.150 nan 0.000 0.445 262 K N -1.768 118.678 120.400 0.077 0.000 2.026 262 K HA -0.211 4.114 4.320 0.009 0.000 0.208 262 K C 1.977 178.609 176.600 0.053 0.000 1.048 262 K CA 1.747 58.071 56.287 0.061 0.000 0.929 262 K CB -0.438 32.108 32.500 0.076 0.000 0.713 262 K HN 0.487 nan 8.250 nan 0.000 0.439 263 Y N 1.769 122.068 120.300 -0.001 0.000 2.081 263 Y HA -0.248 4.307 4.550 0.009 0.000 0.280 263 Y C 1.850 177.732 175.900 -0.029 0.000 1.163 263 Y CA 1.913 60.006 58.100 -0.011 0.000 1.135 263 Y CB -0.278 38.177 38.460 -0.008 0.000 0.970 263 Y HN 0.048 nan 8.280 nan 0.000 0.498 264 I N -1.045 119.484 120.570 -0.067 0.000 2.208 264 I HA -0.405 3.770 4.170 0.009 0.000 0.245 264 I C 2.510 178.496 176.117 -0.218 0.000 1.097 264 I CA 1.427 62.624 61.300 -0.171 0.000 1.363 264 I CB -0.745 37.232 38.000 -0.038 0.000 1.051 264 I HN 0.344 nan 8.210 nan 0.000 0.413 265 c N 0.655 119.176 118.600 -0.131 0.000 2.425 265 c HA -0.129 4.446 4.570 0.009 0.000 0.277 265 c C 2.637 176.645 174.090 -0.137 0.000 1.280 265 c CA 0.761 57.025 56.329 -0.109 0.000 1.744 265 c CB -1.071 41.408 42.510 -0.052 0.000 1.989 265 c HN 0.495 nan 8.230 nan 0.000 0.491 266 E N 0.558 120.657 120.200 -0.169 0.000 2.150 266 E HA -0.121 4.234 4.350 0.009 0.000 0.193 266 E C 1.091 177.562 176.600 -0.215 0.000 0.985 266 E CA 0.923 57.224 56.400 -0.165 0.000 0.814 266 E CB -0.266 29.344 29.700 -0.150 0.000 0.752 266 E HN 0.748 nan 8.360 nan 0.000 0.466 267 N N 0.730 119.227 118.700 -0.338 0.000 2.251 267 N HA -0.007 4.738 4.740 0.009 0.000 0.217 267 N C 1.338 176.697 175.510 -0.251 0.000 1.124 267 N CA -0.232 52.625 53.050 -0.322 0.000 0.843 267 N CB 0.341 38.525 38.487 -0.506 0.000 1.024 267 N HN 0.125 nan 8.380 nan 0.000 0.501 268 Q N 1.556 121.228 119.800 -0.214 0.000 2.118 268 Q HA -0.252 4.094 4.340 0.009 0.000 0.211 268 Q C 0.666 176.574 176.000 -0.154 0.000 0.998 268 Q CA 1.763 57.457 55.803 -0.182 0.000 0.872 268 Q CB 0.080 28.740 28.738 -0.130 0.000 0.925 268 Q HN 0.358 nan 8.270 nan 0.000 0.414 269 D N -0.536 119.794 120.400 -0.117 0.000 2.310 269 D HA -0.076 4.570 4.640 0.009 0.000 0.212 269 D C 1.395 177.645 176.300 -0.084 0.000 0.965 269 D CA 0.906 54.855 54.000 -0.086 0.000 0.879 269 D CB 0.036 40.798 40.800 -0.063 0.000 0.921 269 D HN 0.145 nan 8.370 nan 0.000 0.510 270 S N -0.688 114.948 115.700 -0.108 0.000 2.577 270 S HA 0.175 4.650 4.470 0.009 0.000 0.219 270 S C 1.417 175.952 174.600 -0.108 0.000 0.962 270 S CA -0.280 57.867 58.200 -0.088 0.000 0.921 270 S CB 0.176 63.324 63.200 -0.086 0.000 0.789 270 S HN 0.129 nan 8.310 nan 0.000 0.497 271 I N -0.786 119.680 120.570 -0.173 0.000 3.650 271 I HA 0.337 4.512 4.170 0.009 0.000 0.261 271 I C 0.554 176.508 176.117 -0.272 0.000 1.154 271 I CA -0.097 61.035 61.300 -0.280 0.000 1.418 271 I CB 0.730 38.433 38.000 -0.494 0.000 1.539 271 I HN 0.253 nan 8.210 nan 0.000 0.449 272 S N -0.556 114.995 115.700 -0.250 0.000 2.565 272 S HA 0.284 4.760 4.470 0.009 0.000 0.269 272 S C 0.304 174.864 174.600 -0.067 0.000 1.153 272 S CA 0.037 58.176 58.200 -0.101 0.000 0.835 272 S CB 1.536 64.710 63.200 -0.042 0.000 1.122 272 S HN 0.244 nan 8.310 nan 0.000 0.462 273 S N 1.690 117.381 115.700 -0.014 0.000 2.503 273 S HA 0.231 4.707 4.470 0.009 0.000 0.217 273 S C 0.679 175.277 174.600 -0.003 0.000 0.999 273 S CA -0.126 58.065 58.200 -0.015 0.000 0.914 273 S CB -0.291 62.905 63.200 -0.007 0.000 0.782 273 S HN 0.657 nan 8.310 nan 0.000 0.520 274 K N 1.190 121.602 120.400 0.020 0.000 2.627 274 K HA 0.343 4.669 4.320 0.009 0.000 0.212 274 K C 0.268 176.887 176.600 0.031 0.000 1.041 274 K CA -0.005 56.300 56.287 0.030 0.000 1.205 274 K CB -0.153 32.375 32.500 0.047 0.000 0.936 274 K HN 0.420 nan 8.250 nan 0.000 0.489 275 L N -0.031 121.194 121.223 0.004 0.000 2.693 275 L HA 0.068 4.414 4.340 0.009 0.000 0.235 275 L C 1.651 178.514 176.870 -0.011 0.000 1.127 275 L CA -0.163 54.674 54.840 -0.006 0.000 0.914 275 L CB 0.062 42.089 42.059 -0.053 0.000 1.193 275 L HN -0.017 nan 8.230 nan 0.000 0.502 276 K N 1.006 121.400 120.400 -0.010 0.000 1.987 276 K HA -0.263 4.062 4.320 0.009 0.000 0.216 276 K C 1.686 178.287 176.600 0.002 0.000 1.051 276 K CA 1.716 57.998 56.287 -0.009 0.000 0.942 276 K CB -0.366 32.130 32.500 -0.006 0.000 0.722 276 K HN 0.354 nan 8.250 nan 0.000 0.444 277 E N 0.563 120.769 120.200 0.009 0.000 2.037 277 E HA -0.268 4.088 4.350 0.009 0.000 0.214 277 E C 2.179 178.792 176.600 0.022 0.000 1.041 277 E CA 2.417 58.827 56.400 0.018 0.000 0.872 277 E CB -0.216 29.497 29.700 0.022 0.000 0.785 277 E HN 0.307 nan 8.360 nan 0.000 0.476 278 c N 0.440 119.054 118.600 0.024 0.000 2.385 278 c HA -0.226 4.349 4.570 0.009 0.000 0.275 278 c C 2.916 177.021 174.090 0.024 0.000 1.199 278 c CA 0.947 57.294 56.329 0.029 0.000 1.782 278 c CB -1.164 41.363 42.510 0.027 0.000 2.068 278 c HN 0.645 nan 8.230 nan 0.000 0.471 279 c N 0.062 118.668 118.600 0.010 0.000 2.522 279 c HA 0.123 4.698 4.570 0.009 0.000 0.271 279 c C 2.707 176.802 174.090 0.008 0.000 1.425 279 c CA 1.157 57.488 56.329 0.003 0.000 1.751 279 c CB -1.799 40.700 42.510 -0.017 0.000 1.775 279 c HN 0.821 nan 8.230 nan 0.000 0.557 280 E N 1.151 121.359 120.200 0.014 0.000 2.045 280 E HA -0.007 4.349 4.350 0.009 0.000 0.190 280 E C 1.016 177.631 176.600 0.025 0.000 0.968 280 E CA 0.293 56.702 56.400 0.017 0.000 0.813 280 E CB -0.415 29.295 29.700 0.017 0.000 0.780 280 E HN 0.684 nan 8.360 nan 0.000 0.455 281 K N 1.223 121.643 120.400 0.034 0.000 2.604 281 K HA -0.027 4.299 4.320 0.009 0.000 0.277 281 K C -2.132 174.493 176.600 0.042 0.000 0.966 281 K CA -0.137 56.176 56.287 0.044 0.000 0.991 281 K CB -0.098 32.437 32.500 0.059 0.000 0.865 281 K HN 0.332 nan 8.250 nan 0.000 0.511 282 P HA -0.055 nan 4.420 nan 0.000 0.275 282 P C 0.745 178.072 177.300 0.044 0.000 1.227 282 P CA -0.246 62.878 63.100 0.040 0.000 0.781 282 P CB 0.757 32.479 31.700 0.037 0.000 0.906 283 L N 4.355 125.599 121.223 0.036 0.000 2.125 283 L HA -0.283 4.062 4.340 0.009 0.000 0.234 283 L C 2.159 179.059 176.870 0.050 0.000 1.110 283 L CA 2.241 57.103 54.840 0.037 0.000 0.832 283 L CB -1.619 40.451 42.059 0.019 0.000 0.922 283 L HN 0.351 nan 8.230 nan 0.000 0.449 284 L N -0.804 120.446 121.223 0.045 0.000 2.261 284 L HA -0.205 4.141 4.340 0.009 0.000 0.216 284 L C 2.161 179.080 176.870 0.081 0.000 1.114 284 L CA 2.048 56.920 54.840 0.054 0.000 0.777 284 L CB -0.549 41.533 42.059 0.039 0.000 0.910 284 L HN 0.549 nan 8.230 nan 0.000 0.440 285 E N -2.214 118.038 120.200 0.086 0.000 2.490 285 E HA -0.017 4.338 4.350 0.009 0.000 0.209 285 E C 1.729 178.394 176.600 0.108 0.000 0.971 285 E CA -0.180 56.284 56.400 0.106 0.000 0.988 285 E CB 0.302 30.073 29.700 0.118 0.000 1.029 285 E HN 0.366 nan 8.360 nan 0.000 0.496 286 K N 1.178 121.629 120.400 0.085 0.000 2.000 286 K HA -0.215 4.111 4.320 0.009 0.000 0.218 286 K C 2.439 179.082 176.600 0.071 0.000 1.053 286 K CA 2.228 58.556 56.287 0.069 0.000 0.946 286 K CB -0.253 32.281 32.500 0.057 0.000 0.723 286 K HN 0.081 nan 8.250 nan 0.000 0.446 287 S N 0.193 115.943 115.700 0.083 0.000 2.370 287 S HA -0.265 4.210 4.470 0.009 0.000 0.226 287 S C 2.025 176.663 174.600 0.063 0.000 1.033 287 S CA 1.847 60.091 58.200 0.073 0.000 1.011 287 S CB -0.675 62.568 63.200 0.072 0.000 0.852 287 S HN 0.455 nan 8.310 nan 0.000 0.457 288 H N 0.424 119.488 119.070 -0.010 0.000 2.353 288 H HA -0.027 4.535 4.556 0.009 0.000 0.300 288 H C 2.490 177.756 175.328 -0.104 0.000 1.090 288 H CA 1.746 57.743 56.048 -0.085 0.000 1.327 288 H CB -0.957 28.696 29.762 -0.182 0.000 1.383 288 H HN 0.553 nan 8.280 nan 0.000 0.508 289 c N -0.078 118.497 118.600 -0.041 0.000 2.436 289 c HA -0.085 4.490 4.570 0.009 0.000 0.277 289 c C 2.794 176.844 174.090 -0.066 0.000 1.241 289 c CA 1.043 57.335 56.329 -0.063 0.000 1.721 289 c CB -1.346 41.182 42.510 0.030 0.000 2.043 289 c HN 0.699 nan 8.230 nan 0.000 0.472 290 I N 1.485 122.050 120.570 -0.008 0.000 2.208 290 I HA -0.206 3.969 4.170 0.009 0.000 0.245 290 I C 2.842 178.976 176.117 0.027 0.000 1.097 290 I CA 1.772 63.098 61.300 0.042 0.000 1.363 290 I CB -0.694 37.350 38.000 0.074 0.000 1.051 290 I HN 0.429 nan 8.210 nan 0.000 0.413 291 A N -0.252 122.548 122.820 -0.034 0.000 2.024 291 A HA -0.242 4.083 4.320 0.009 0.000 0.220 291 A C 2.214 179.736 177.584 -0.103 0.000 1.164 291 A CA 1.817 53.824 52.037 -0.050 0.000 0.643 291 A CB -0.463 18.493 19.000 -0.074 0.000 0.806 291 A HN 0.526 nan 8.150 nan 0.000 0.451 292 E N -0.895 119.207 120.200 -0.163 0.000 2.481 292 E HA 0.196 4.552 4.350 0.009 0.000 0.198 292 E C 0.241 176.789 176.600 -0.087 0.000 1.027 292 E CA -0.270 56.035 56.400 -0.157 0.000 0.900 292 E CB 0.310 29.852 29.700 -0.263 0.000 0.993 292 E HN 0.285 nan 8.360 nan 0.000 0.482 293 V N 1.859 121.747 119.914 -0.043 0.000 3.083 293 V HA -0.119 4.007 4.120 0.009 0.000 0.303 293 V C 0.257 176.341 176.094 -0.016 0.000 1.151 293 V CA 0.640 62.941 62.300 0.002 0.000 1.275 293 V CB 1.072 32.943 31.823 0.080 0.000 0.950 293 V HN 0.264 nan 8.190 nan 0.000 0.506 294 E N 4.288 124.486 120.200 -0.004 0.000 2.373 294 E HA 0.141 4.496 4.350 0.009 0.000 0.263 294 E C -0.134 176.456 176.600 -0.017 0.000 1.073 294 E CA -0.734 55.655 56.400 -0.019 0.000 0.894 294 E CB 0.497 30.191 29.700 -0.010 0.000 1.008 294 E HN 0.824 nan 8.360 nan 0.000 0.420 295 N N 2.870 121.542 118.700 -0.048 0.000 2.458 295 N HA -0.043 4.703 4.740 0.009 0.000 0.258 295 N C -0.428 175.079 175.510 -0.006 0.000 1.219 295 N CA 0.168 53.183 53.050 -0.058 0.000 0.902 295 N CB 0.555 38.990 38.487 -0.086 0.000 1.076 295 N HN 0.501 nan 8.380 nan 0.000 0.455 296 D N 0.774 121.198 120.400 0.040 0.000 2.384 296 D HA 0.057 4.703 4.640 0.009 0.000 0.244 296 D C -0.378 175.926 176.300 0.006 0.000 1.251 296 D CA 0.006 54.037 54.000 0.052 0.000 0.961 296 D CB 0.687 41.553 40.800 0.110 0.000 1.116 296 D HN 0.330 nan 8.370 nan 0.000 0.484 297 E N 0.083 120.283 120.200 -0.001 0.000 2.283 297 E HA 0.230 4.586 4.350 0.009 0.000 0.278 297 E C -0.231 176.351 176.600 -0.030 0.000 1.027 297 E CA -0.431 55.954 56.400 -0.024 0.000 0.843 297 E CB 1.179 30.866 29.700 -0.023 0.000 1.062 297 E HN 0.403 nan 8.360 nan 0.000 0.401 298 M N 1.343 120.908 119.600 -0.058 0.000 2.235 298 M HA 0.443 4.929 4.480 0.009 0.000 0.351 298 M C -2.331 173.929 176.300 -0.066 0.000 1.178 298 M CA -1.913 53.342 55.300 -0.074 0.000 1.143 298 M CB 0.098 32.623 32.600 -0.124 0.000 1.530 298 M HN 0.042 nan 8.290 nan 0.000 0.461 299 P HA 0.087 nan 4.420 nan 0.000 0.264 299 P C -0.071 177.193 177.300 -0.061 0.000 1.193 299 P CA 0.136 63.208 63.100 -0.046 0.000 0.763 299 P CB 0.785 32.465 31.700 -0.033 0.000 0.810 300 A N 2.994 125.784 122.820 -0.050 0.000 2.167 300 A HA -0.053 4.272 4.320 0.009 0.000 0.214 300 A C 0.660 178.215 177.584 -0.047 0.000 1.151 300 A CA 0.785 52.790 52.037 -0.054 0.000 0.735 300 A CB -0.805 18.170 19.000 -0.043 0.000 0.802 300 A HN 0.652 nan 8.150 nan 0.000 0.467 301 D N -0.210 120.167 120.400 -0.039 0.000 3.110 301 D HA 0.412 5.057 4.640 0.009 0.000 0.254 301 D C -0.456 175.824 176.300 -0.033 0.000 1.283 301 D CA -0.079 53.903 54.000 -0.030 0.000 0.944 301 D CB -0.071 40.718 40.800 -0.019 0.000 1.066 301 D HN 0.227 nan 8.370 nan 0.000 0.496 302 L N 1.044 122.238 121.223 -0.049 0.000 2.296 302 L HA 0.483 4.828 4.340 0.009 0.000 0.286 302 L C -1.653 175.189 176.870 -0.047 0.000 1.023 302 L CA -2.020 52.787 54.840 -0.055 0.000 0.812 302 L CB 1.206 43.209 42.059 -0.093 0.000 1.223 302 L HN 0.040 nan 8.230 nan 0.000 0.421 303 P HA -0.024 nan 4.420 nan 0.000 0.272 303 P C -0.494 176.798 177.300 -0.014 0.000 1.243 303 P CA -0.186 62.907 63.100 -0.012 0.000 0.803 303 P CB 0.472 32.176 31.700 0.006 0.000 0.974 304 S N -0.221 115.480 115.700 0.002 0.000 2.499 304 S HA 0.188 4.663 4.470 0.009 0.000 0.279 304 S C 1.349 175.985 174.600 0.060 0.000 1.219 304 S CA -0.668 57.540 58.200 0.013 0.000 1.062 304 S CB -0.241 62.962 63.200 0.004 0.000 0.978 304 S HN 0.351 nan 8.310 nan 0.000 0.489 305 L N 4.622 125.911 121.223 0.111 0.000 2.013 305 L HA -0.161 4.184 4.340 0.009 0.000 0.212 305 L C 2.864 179.923 176.870 0.315 0.000 1.073 305 L CA 1.738 56.757 54.840 0.297 0.000 0.753 305 L CB -0.912 41.332 42.059 0.308 0.000 0.890 305 L HN 0.846 nan 8.230 nan 0.000 0.432 306 A N -0.068 122.737 122.820 -0.024 0.000 2.139 306 A HA -0.193 4.132 4.320 0.009 0.000 0.221 306 A C 2.473 180.013 177.584 -0.073 0.000 1.159 306 A CA 1.698 53.578 52.037 -0.262 0.000 0.662 306 A CB -0.590 18.151 19.000 -0.433 0.000 0.796 306 A HN 0.472 nan 8.150 nan 0.000 0.463 307 A N 0.069 122.879 122.820 -0.016 0.000 1.832 307 A HA -0.166 4.159 4.320 0.009 0.000 0.214 307 A C 1.799 179.331 177.584 -0.086 0.000 1.200 307 A CA 1.626 53.643 52.037 -0.034 0.000 0.610 307 A CB -0.448 18.541 19.000 -0.018 0.000 0.842 307 A HN 0.527 nan 8.150 nan 0.000 0.444 308 D N -1.840 118.448 120.400 -0.186 0.000 2.333 308 D HA 0.074 4.719 4.640 0.009 0.000 0.208 308 D C 0.865 176.785 176.300 -0.634 0.000 0.984 308 D CA 0.765 54.489 54.000 -0.460 0.000 0.873 308 D CB 0.044 40.407 40.800 -0.728 0.000 0.935 308 D HN 0.527 nan 8.370 nan 0.000 0.521 309 F N -0.264 119.766 119.950 0.133 0.000 2.724 309 F HA 0.088 4.621 4.527 0.009 0.000 0.306 309 F C 1.894 177.785 175.800 0.151 0.000 1.100 309 F CA -0.061 58.072 58.000 0.221 0.000 1.255 309 F CB 0.582 39.749 39.000 0.279 0.000 1.072 309 F HN -0.213 nan 8.300 nan 0.000 0.589 310 V N -1.194 118.790 119.914 0.117 0.000 3.029 310 V HA 0.052 4.177 4.120 0.009 0.000 0.230 310 V C 1.669 177.828 176.094 0.108 0.000 1.254 310 V CA 0.516 62.877 62.300 0.101 0.000 1.276 310 V CB 0.009 31.742 31.823 -0.150 0.000 1.080 310 V HN 0.031 nan 8.190 nan 0.000 0.495 311 E N 0.829 121.033 120.200 0.007 0.000 2.012 311 E HA -0.024 4.331 4.350 0.009 0.000 0.192 311 E C 1.061 177.531 176.600 -0.217 0.000 0.977 311 E CA 0.910 57.306 56.400 -0.007 0.000 0.832 311 E CB -0.303 29.435 29.700 0.063 0.000 0.790 311 E HN 0.340 nan 8.360 nan 0.000 0.466 312 S N 1.358 117.005 115.700 -0.090 0.000 4.531 312 S HA -0.139 4.336 4.470 0.009 0.000 0.544 312 S C -0.036 174.481 174.600 -0.139 0.000 0.972 312 S CA 0.489 58.639 58.200 -0.083 0.000 1.138 312 S CB -0.679 62.477 63.200 -0.074 0.000 1.052 312 S HN 0.310 nan 8.310 nan 0.000 0.472 313 K N 3.979 124.324 120.400 -0.092 0.000 2.380 313 K HA 0.256 4.581 4.320 0.009 0.000 0.267 313 K C 0.892 177.481 176.600 -0.018 0.000 0.990 313 K CA 0.246 56.504 56.287 -0.048 0.000 0.946 313 K CB -0.066 32.482 32.500 0.080 0.000 0.937 313 K HN 1.461 nan 8.250 nan 0.000 0.491 314 D N -0.129 120.276 120.400 0.009 0.000 2.846 314 D HA -0.132 4.513 4.640 0.009 0.000 0.231 314 D C 0.176 176.440 176.300 -0.060 0.000 1.102 314 D CA 0.981 54.975 54.000 -0.011 0.000 0.744 314 D CB -1.700 39.092 40.800 -0.013 0.000 1.092 314 D HN 0.272 nan 8.370 nan 0.000 0.437 315 V N 0.016 119.894 119.914 -0.059 0.000 2.488 315 V HA -0.167 3.959 4.120 0.009 0.000 0.246 315 V C 2.881 178.776 176.094 -0.333 0.000 1.046 315 V CA 1.758 63.948 62.300 -0.182 0.000 1.053 315 V CB -0.144 31.556 31.823 -0.206 0.000 0.679 315 V HN 0.708 nan 8.190 nan 0.000 0.458 316 c N -0.409 118.100 118.600 -0.152 0.000 2.446 316 c HA -0.125 4.450 4.570 0.009 0.000 0.277 316 c C 2.713 176.746 174.090 -0.094 0.000 1.275 316 c CA 1.127 57.410 56.329 -0.076 0.000 1.727 316 c CB -0.888 41.640 42.510 0.031 0.000 2.010 316 c HN 0.570 nan 8.230 nan 0.000 0.486 317 K N 1.352 121.697 120.400 -0.092 0.000 2.044 317 K HA -0.202 4.123 4.320 0.009 0.000 0.210 317 K C 1.627 178.144 176.600 -0.137 0.000 1.049 317 K CA 1.898 58.134 56.287 -0.085 0.000 0.927 317 K CB -0.462 32.005 32.500 -0.055 0.000 0.713 317 K HN 0.618 nan 8.250 nan 0.000 0.443 318 N N -0.911 117.656 118.700 -0.223 0.000 2.216 318 N HA -0.172 4.573 4.740 0.009 0.000 0.183 318 N C 1.811 177.077 175.510 -0.407 0.000 1.017 318 N CA 0.877 53.767 53.050 -0.266 0.000 0.861 318 N CB -0.130 38.200 38.487 -0.262 0.000 0.986 318 N HN 0.227 nan 8.380 nan 0.000 0.428 319 Y N 1.719 121.529 120.300 -0.817 0.000 2.184 319 Y HA -0.006 4.550 4.550 0.011 0.000 0.290 319 Y C 2.285 178.052 175.900 -0.221 0.000 1.129 319 Y CA 1.260 58.980 58.100 -0.634 0.000 1.144 319 Y CB -0.507 37.563 38.460 -0.651 0.000 0.995 319 Y HN -0.017 nan 8.280 nan 0.000 0.513 320 A N 0.203 122.838 122.820 -0.308 0.000 1.972 320 A HA -0.207 4.118 4.320 0.009 0.000 0.219 320 A C 2.195 179.649 177.584 -0.217 0.000 1.169 320 A CA 1.652 53.508 52.037 -0.303 0.000 0.635 320 A CB -0.905 18.015 19.000 -0.134 0.000 0.810 320 A HN 0.665 nan 8.150 nan 0.000 0.446 321 E N -0.567 119.540 120.200 -0.154 0.000 2.204 321 E HA 0.050 4.405 4.350 0.009 0.000 0.195 321 E C 0.278 176.839 176.600 -0.065 0.000 0.990 321 E CA 0.898 57.247 56.400 -0.085 0.000 0.821 321 E CB -0.089 29.579 29.700 -0.053 0.000 0.750 321 E HN 0.554 nan 8.360 nan 0.000 0.477 322 A N 0.206 122.974 122.820 -0.087 0.000 2.333 322 A HA 0.161 4.486 4.320 0.009 0.000 0.298 322 A C 0.152 177.724 177.584 -0.020 0.000 1.239 322 A CA -0.605 51.417 52.037 -0.026 0.000 0.896 322 A CB 0.304 19.340 19.000 0.060 0.000 1.421 322 A HN 0.056 nan 8.150 nan 0.000 0.433 323 K N 0.353 120.643 120.400 -0.184 0.000 2.044 323 K HA -0.189 4.136 4.320 0.009 0.000 0.210 323 K C 0.827 177.519 176.600 0.154 0.000 1.049 323 K CA 2.048 58.200 56.287 -0.225 0.000 0.927 323 K CB 0.036 32.291 32.500 -0.408 0.000 0.713 323 K HN 0.661 nan 8.250 nan 0.000 0.443 324 D N 0.465 120.941 120.400 0.127 0.000 2.117 324 D HA -0.104 4.541 4.640 0.009 0.000 0.198 324 D C 2.057 178.502 176.300 0.241 0.000 0.982 324 D CA 0.842 54.954 54.000 0.187 0.000 0.828 324 D CB -0.232 40.653 40.800 0.143 0.000 0.967 324 D HN -0.053 nan 8.370 nan 0.000 0.464 325 V N 0.922 120.979 119.914 0.239 0.000 2.295 325 V HA -0.234 3.891 4.120 0.009 0.000 0.246 325 V C 2.203 178.443 176.094 0.244 0.000 1.049 325 V CA 1.275 63.745 62.300 0.282 0.000 1.024 325 V CB -0.612 31.366 31.823 0.259 0.000 0.648 325 V HN 0.061 nan 8.190 nan 0.000 0.447 326 F N 0.390 120.443 119.950 0.171 0.000 2.095 326 F HA -0.187 4.344 4.527 0.007 0.000 0.298 326 F C 2.109 178.102 175.800 0.320 0.000 1.104 326 F CA 1.678 59.822 58.000 0.240 0.000 1.232 326 F CB -0.309 38.882 39.000 0.319 0.000 0.987 326 F HN 0.002 nan 8.300 nan 0.000 0.475 327 L N -0.551 120.909 121.223 0.394 0.000 2.131 327 L HA -0.152 4.193 4.340 0.009 0.000 0.210 327 L C 2.723 179.726 176.870 0.222 0.000 1.092 327 L CA 1.200 56.229 54.840 0.315 0.000 0.759 327 L CB -1.518 40.738 42.059 0.328 0.000 0.903 327 L HN 0.336 nan 8.230 nan 0.000 0.435 328 G N -0.427 108.492 108.800 0.199 0.000 2.404 328 G HA2 -0.252 3.713 3.960 0.009 0.000 0.215 328 G HA3 -0.252 3.713 3.960 0.009 0.000 0.215 328 G C 1.644 176.561 174.900 0.028 0.000 1.174 328 G CA 0.468 45.711 45.100 0.237 0.000 0.780 328 G HN 0.167 nan 8.290 nan 0.000 0.537 329 M N -0.553 118.801 119.600 -0.410 0.000 2.159 329 M HA 0.036 4.521 4.480 0.009 0.000 0.263 329 M C 2.278 178.455 176.300 -0.205 0.000 1.063 329 M CA 1.071 55.997 55.300 -0.623 0.000 1.110 329 M CB -0.285 31.968 32.600 -0.577 0.000 1.374 329 M HN 0.297 nan 8.290 nan 0.000 0.411 330 F N 0.992 120.691 119.950 -0.417 0.000 2.134 330 F HA -0.213 4.319 4.527 0.007 0.000 0.299 330 F C 1.870 177.417 175.800 -0.421 0.000 1.097 330 F CA 1.558 59.095 58.000 -0.772 0.000 1.264 330 F CB -0.270 38.357 39.000 -0.622 0.000 1.001 330 F HN -0.027 nan 8.300 nan 0.000 0.479 331 L N -0.943 120.173 121.223 -0.179 0.000 2.017 331 L HA -0.241 4.104 4.340 0.009 0.000 0.208 331 L C 2.480 179.264 176.870 -0.144 0.000 1.073 331 L CA 1.734 56.463 54.840 -0.186 0.000 0.745 331 L CB -0.873 41.189 42.059 0.004 0.000 0.894 331 L HN 0.342 nan 8.230 nan 0.000 0.432 332 Y N 0.964 121.197 120.300 -0.112 0.000 2.097 332 Y HA -0.291 4.264 4.550 0.009 0.000 0.282 332 Y C 2.553 178.378 175.900 -0.126 0.000 1.152 332 Y CA 1.779 59.869 58.100 -0.017 0.000 1.136 332 Y CB -0.238 38.361 38.460 0.231 0.000 0.975 332 Y HN 0.132 nan 8.280 nan 0.000 0.498 333 E N -0.615 119.365 120.200 -0.366 0.000 2.085 333 E HA -0.251 4.104 4.350 0.009 0.000 0.194 333 E C 2.086 178.378 176.600 -0.513 0.000 0.994 333 E CA 1.577 57.681 56.400 -0.494 0.000 0.801 333 E CB -0.835 28.681 29.700 -0.307 0.000 0.743 333 E HN 0.621 nan 8.360 nan 0.000 0.453 334 Y N 0.830 120.714 120.300 -0.693 0.000 2.263 334 Y HA -0.039 4.517 4.550 0.010 0.000 0.292 334 Y C 2.293 177.928 175.900 -0.442 0.000 1.130 334 Y CA 0.937 58.648 58.100 -0.649 0.000 1.179 334 Y CB -0.363 37.493 38.460 -1.007 0.000 0.998 334 Y HN 0.006 nan 8.280 nan 0.000 0.532 335 A N 0.795 123.499 122.820 -0.193 0.000 1.897 335 A HA -0.158 4.167 4.320 0.009 0.000 0.215 335 A C 2.203 179.651 177.584 -0.225 0.000 1.181 335 A CA 1.531 53.456 52.037 -0.187 0.000 0.620 335 A CB -0.634 18.246 19.000 -0.200 0.000 0.821 335 A HN 0.559 nan 8.150 nan 0.000 0.443 336 R N -0.786 119.532 120.500 -0.304 0.000 2.285 336 R HA 0.052 4.397 4.340 0.009 0.000 0.213 336 R C 1.602 177.721 176.300 -0.303 0.000 1.068 336 R CA 1.233 57.153 56.100 -0.299 0.000 1.004 336 R CB -0.254 29.815 30.300 -0.384 0.000 0.873 336 R HN 0.386 nan 8.270 nan 0.000 0.467 337 R N -0.321 119.971 120.500 -0.347 0.000 2.312 337 R HA 0.141 4.487 4.340 0.009 0.000 0.205 337 R C -0.015 175.866 176.300 -0.698 0.000 0.904 337 R CA 0.168 55.997 56.100 -0.452 0.000 1.052 337 R CB 0.502 30.525 30.300 -0.462 0.000 1.014 337 R HN 0.331 nan 8.270 nan 0.000 0.503 338 H N 0.407 119.255 119.070 -0.370 0.000 2.379 338 H HA 0.162 4.726 4.556 0.012 0.000 0.229 338 H C -1.995 173.148 175.328 -0.309 0.000 1.423 338 H CA -1.603 54.163 56.048 -0.470 0.000 1.375 338 H CB 1.498 30.716 29.762 -0.906 0.000 1.592 338 H HN 0.042 nan 8.280 nan 0.000 0.507 339 P HA -0.083 nan 4.420 nan 0.000 0.237 339 P C 0.871 178.141 177.300 -0.049 0.000 1.178 339 P CA 0.750 63.778 63.100 -0.119 0.000 0.766 339 P CB 0.394 32.018 31.700 -0.126 0.000 0.876 340 D N -2.240 118.157 120.400 -0.005 0.000 2.349 340 D HA -0.085 4.561 4.640 0.009 0.000 0.215 340 D C 0.341 176.792 176.300 0.252 0.000 1.016 340 D CA 0.100 54.159 54.000 0.099 0.000 0.870 340 D CB -0.532 40.337 40.800 0.115 0.000 0.917 340 D HN 0.083 nan 8.370 nan 0.000 0.524 341 Y N 1.963 122.250 120.300 -0.021 0.000 2.354 341 Y HA 0.305 4.862 4.550 0.012 0.000 0.322 341 Y C 1.268 177.093 175.900 -0.126 0.000 1.253 341 Y CA -2.273 55.774 58.100 -0.088 0.000 1.272 341 Y CB 1.240 39.612 38.460 -0.146 0.000 1.255 341 Y HN -0.115 nan 8.280 nan 0.000 0.500 342 S N -0.252 115.440 115.700 -0.013 0.000 2.601 342 S HA 0.263 4.738 4.470 0.009 0.000 0.271 342 S C 0.867 175.389 174.600 -0.131 0.000 1.305 342 S CA -0.715 57.440 58.200 -0.076 0.000 1.022 342 S CB 1.079 64.230 63.200 -0.081 0.000 0.940 342 S HN 0.392 nan 8.310 nan 0.000 0.525 343 V N 2.132 121.924 119.914 -0.203 0.000 2.343 343 V HA -0.187 3.939 4.120 0.009 0.000 0.247 343 V C 2.587 178.537 176.094 -0.240 0.000 1.051 343 V CA 2.020 64.114 62.300 -0.343 0.000 1.036 343 V CB -1.281 30.121 31.823 -0.702 0.000 0.654 343 V HN 0.893 nan 8.190 nan 0.000 0.451 344 V N -1.150 118.689 119.914 -0.125 0.000 2.490 344 V HA -0.207 3.918 4.120 0.009 0.000 0.250 344 V C 2.368 178.373 176.094 -0.150 0.000 1.061 344 V CA 1.926 64.172 62.300 -0.089 0.000 1.064 344 V CB -0.998 30.805 31.823 -0.033 0.000 0.670 344 V HN 0.474 nan 8.190 nan 0.000 0.461 345 L N 0.081 121.192 121.223 -0.185 0.000 2.056 345 L HA -0.021 4.324 4.340 0.009 0.000 0.207 345 L C 2.285 178.966 176.870 -0.315 0.000 1.078 345 L CA 1.789 56.472 54.840 -0.262 0.000 0.749 345 L CB -0.652 41.200 42.059 -0.346 0.000 0.901 345 L HN 0.250 nan 8.230 nan 0.000 0.433 346 L N -1.259 119.795 121.223 -0.282 0.000 2.131 346 L HA -0.221 4.125 4.340 0.009 0.000 0.210 346 L C 2.475 179.153 176.870 -0.320 0.000 1.092 346 L CA 1.046 55.671 54.840 -0.358 0.000 0.759 346 L CB -0.445 41.439 42.059 -0.292 0.000 0.903 346 L HN 0.324 nan 8.230 nan 0.000 0.435 347 L N -0.934 120.153 121.223 -0.227 0.000 2.109 347 L HA -0.157 4.188 4.340 0.009 0.000 0.207 347 L C 2.780 179.562 176.870 -0.147 0.000 1.086 347 L CA 1.052 55.802 54.840 -0.151 0.000 0.760 347 L CB -0.379 41.620 42.059 -0.101 0.000 0.910 347 L HN 0.189 nan 8.230 nan 0.000 0.437 348 R N -0.019 120.373 120.500 -0.179 0.000 2.081 348 R HA -0.143 4.202 4.340 0.009 0.000 0.235 348 R C 2.271 178.449 176.300 -0.204 0.000 1.131 348 R CA 1.227 57.231 56.100 -0.161 0.000 0.960 348 R CB -0.352 29.849 30.300 -0.166 0.000 0.856 348 R HN 0.300 nan 8.270 nan 0.000 0.436 349 L N -0.087 120.905 121.223 -0.384 0.000 1.994 349 L HA -0.149 4.196 4.340 0.009 0.000 0.208 349 L C 2.720 179.415 176.870 -0.292 0.000 1.071 349 L CA 1.365 55.814 54.840 -0.652 0.000 0.745 349 L CB -0.746 40.546 42.059 -1.279 0.000 0.892 349 L HN 0.233 nan 8.230 nan 0.000 0.431 350 A N 0.195 122.946 122.820 -0.115 0.000 1.948 350 A HA -0.288 4.038 4.320 0.009 0.000 0.220 350 A C 2.302 179.926 177.584 0.066 0.000 1.177 350 A CA 2.258 54.373 52.037 0.130 0.000 0.636 350 A CB -0.467 18.618 19.000 0.143 0.000 0.815 350 A HN 0.284 nan 8.150 nan 0.000 0.449 351 K N -0.511 119.893 120.400 0.007 0.000 2.002 351 K HA -0.090 4.235 4.320 0.009 0.000 0.209 351 K C 2.019 178.643 176.600 0.039 0.000 1.048 351 K CA 2.290 58.587 56.287 0.017 0.000 0.930 351 K CB -0.971 31.521 32.500 -0.013 0.000 0.714 351 K HN 0.376 nan 8.250 nan 0.000 0.438 352 T N 0.137 114.726 114.554 0.058 0.000 2.665 352 T HA -0.202 4.154 4.350 0.009 0.000 0.268 352 T C 1.470 176.277 174.700 0.179 0.000 1.035 352 T CA 1.770 63.950 62.100 0.133 0.000 1.151 352 T CB -0.613 68.395 68.868 0.234 0.000 0.862 352 T HN 0.311 nan 8.240 nan 0.000 0.438 353 Y N 1.851 122.172 120.300 0.036 0.000 2.181 353 Y HA -0.140 4.413 4.550 0.005 0.000 0.288 353 Y C 2.529 178.324 175.900 -0.176 0.000 1.146 353 Y CA 1.737 59.775 58.100 -0.103 0.000 1.164 353 Y CB -0.454 37.718 38.460 -0.479 0.000 0.982 353 Y HN 0.350 nan 8.280 nan 0.000 0.515 354 E N -1.017 119.099 120.200 -0.141 0.000 2.058 354 E HA -0.215 4.141 4.350 0.009 0.000 0.194 354 E C 1.979 178.492 176.600 -0.145 0.000 0.997 354 E CA 2.081 58.373 56.400 -0.180 0.000 0.801 354 E CB -0.296 29.407 29.700 0.006 0.000 0.746 354 E HN 0.442 nan 8.360 nan 0.000 0.450 355 T N 0.047 114.567 114.554 -0.056 0.000 2.759 355 T HA -0.140 4.215 4.350 0.009 0.000 0.269 355 T C 1.834 176.501 174.700 -0.055 0.000 1.042 355 T CA 1.764 63.849 62.100 -0.027 0.000 1.140 355 T CB -0.422 68.451 68.868 0.008 0.000 0.864 355 T HN 0.268 nan 8.240 nan 0.000 0.455 356 T N 2.205 116.710 114.554 -0.082 0.000 2.737 356 T HA 0.097 4.453 4.350 0.009 0.000 0.265 356 T C 1.970 176.571 174.700 -0.165 0.000 1.038 356 T CA 0.729 62.785 62.100 -0.075 0.000 1.144 356 T CB -0.378 68.479 68.868 -0.018 0.000 0.866 356 T HN 0.242 nan 8.240 nan 0.000 0.434 357 L N 0.899 121.872 121.223 -0.418 0.000 2.127 357 L HA -0.097 4.248 4.340 0.009 0.000 0.211 357 L C 2.830 179.553 176.870 -0.244 0.000 1.089 357 L CA 1.181 55.694 54.840 -0.545 0.000 0.757 357 L CB -0.495 40.829 42.059 -1.226 0.000 0.899 357 L HN 0.243 nan 8.230 nan 0.000 0.434 358 E N 0.634 120.756 120.200 -0.130 0.000 2.107 358 E HA -0.125 4.231 4.350 0.009 0.000 0.191 358 E C 1.166 177.777 176.600 0.018 0.000 0.982 358 E CA 1.022 57.435 56.400 0.021 0.000 0.809 358 E CB 0.042 29.768 29.700 0.044 0.000 0.756 358 E HN 0.453 nan 8.360 nan 0.000 0.459 359 K N -0.417 119.983 120.400 -0.000 0.000 2.994 359 K HA 0.202 4.527 4.320 0.009 0.000 0.231 359 K C 0.410 177.027 176.600 0.029 0.000 1.174 359 K CA -0.262 56.035 56.287 0.016 0.000 1.221 359 K CB 0.358 32.867 32.500 0.014 0.000 1.166 359 K HN 0.019 nan 8.250 nan 0.000 0.453 360 c N -2.136 116.489 118.600 0.042 0.000 4.638 360 c HA -0.006 4.570 4.570 0.009 0.000 0.525 360 c C 2.018 176.171 174.090 0.106 0.000 1.131 360 c CA -0.309 56.072 56.329 0.088 0.000 2.519 360 c CB -0.066 42.555 42.510 0.185 0.000 3.429 360 c HN 0.667 nan 8.230 nan 0.000 0.430 361 c N 1.976 120.629 118.600 0.090 0.000 2.491 361 c HA 0.310 4.886 4.570 0.009 0.000 0.277 361 c C 1.802 175.933 174.090 0.067 0.000 1.455 361 c CA 1.239 57.626 56.329 0.096 0.000 1.758 361 c CB -1.531 41.035 42.510 0.093 0.000 1.745 361 c HN 0.687 nan 8.230 nan 0.000 0.558 362 A N -0.047 122.805 122.820 0.052 0.000 3.106 362 A HA 0.747 5.072 4.320 0.009 0.000 0.306 362 A C 0.271 177.871 177.584 0.026 0.000 1.192 362 A CA 0.305 52.363 52.037 0.036 0.000 0.994 362 A CB -0.321 18.699 19.000 0.033 0.000 1.107 362 A HN 0.449 nan 8.150 nan 0.000 0.585 363 A N -0.886 121.949 122.820 0.025 0.000 2.532 363 A HA 0.829 5.154 4.320 0.009 0.000 0.290 363 A C 1.081 178.667 177.584 0.004 0.000 1.143 363 A CA 0.050 52.093 52.037 0.011 0.000 0.728 363 A CB 0.326 19.331 19.000 0.007 0.000 1.317 363 A HN 1.246 nan 8.150 nan 0.000 0.414 364 A N 0.133 122.950 122.820 -0.005 0.000 1.836 364 A HA -0.023 4.302 4.320 0.009 0.000 0.215 364 A C 0.837 178.411 177.584 -0.015 0.000 1.214 364 A CA 2.332 54.363 52.037 -0.010 0.000 0.636 364 A CB -0.736 18.255 19.000 -0.014 0.000 0.847 364 A HN 0.848 nan 8.150 nan 0.000 0.451 365 D N -1.060 119.321 120.400 -0.032 0.000 2.499 365 D HA 0.432 5.078 4.640 0.009 0.000 0.225 365 D C -1.893 174.356 176.300 -0.084 0.000 1.124 365 D CA -1.935 52.037 54.000 -0.048 0.000 0.938 365 D CB 1.002 41.765 40.800 -0.061 0.000 1.014 365 D HN 0.016 nan 8.370 nan 0.000 0.517 366 P HA -0.200 nan 4.420 nan 0.000 0.212 366 P C 1.064 178.022 177.300 -0.570 0.000 1.178 366 P CA 1.173 64.189 63.100 -0.140 0.000 0.915 366 P CB 0.008 31.740 31.700 0.053 0.000 0.788 367 H N -0.855 117.865 119.070 -0.585 0.000 2.501 367 H HA -0.207 4.353 4.556 0.008 0.000 0.296 367 H C 1.899 176.858 175.328 -0.615 0.000 1.115 367 H CA 1.402 57.026 56.048 -0.707 0.000 1.242 367 H CB 0.188 29.813 29.762 -0.229 0.000 1.363 367 H HN 0.207 nan 8.280 nan 0.000 0.537 368 E N -1.014 119.016 120.200 -0.284 0.000 2.364 368 E HA -0.059 4.296 4.350 0.009 0.000 0.196 368 E C 2.146 178.639 176.600 -0.178 0.000 0.990 368 E CA 0.359 56.639 56.400 -0.202 0.000 0.886 368 E CB -0.010 29.598 29.700 -0.153 0.000 0.866 368 E HN 0.465 nan 8.360 nan 0.000 0.493 369 c N 0.781 119.243 118.600 -0.229 0.000 2.476 369 c HA -0.088 4.488 4.570 0.009 0.000 0.278 369 c C 2.174 176.249 174.090 -0.025 0.000 1.274 369 c CA 0.942 57.209 56.329 -0.105 0.000 1.713 369 c CB -0.873 41.600 42.510 -0.062 0.000 2.039 369 c HN 0.685 nan 8.230 nan 0.000 0.484 370 Y N 0.298 120.619 120.300 0.035 0.000 2.524 370 Y HA 0.656 5.209 4.550 0.005 0.000 0.266 370 Y C 1.708 177.652 175.900 0.072 0.000 1.180 370 Y CA -0.130 57.995 58.100 0.041 0.000 1.244 370 Y CB -1.468 37.003 38.460 0.017 0.000 1.125 370 Y HN 0.164 nan 8.280 nan 0.000 0.524 371 A N 1.460 124.328 122.820 0.080 0.000 1.940 371 A HA -0.142 4.183 4.320 0.009 0.000 0.219 371 A C 2.150 179.802 177.584 0.113 0.000 1.176 371 A CA 1.471 53.581 52.037 0.122 0.000 0.631 371 A CB -0.292 18.725 19.000 0.028 0.000 0.814 371 A HN 0.295 nan 8.150 nan 0.000 0.446 372 K N -0.950 119.502 120.400 0.087 0.000 1.978 372 K HA 0.045 4.370 4.320 0.009 0.000 0.221 372 K C 1.782 178.433 176.600 0.084 0.000 1.036 372 K CA 1.050 57.375 56.287 0.064 0.000 0.996 372 K CB -1.239 31.287 32.500 0.043 0.000 0.755 372 K HN 0.281 nan 8.250 nan 0.000 0.445 373 V N 0.240 120.196 119.914 0.070 0.000 0.634 373 V HA -0.384 3.741 4.120 0.009 0.000 0.092 373 V C 1.946 177.842 176.094 -0.329 0.000 1.477 373 V CA 2.622 64.917 62.300 -0.007 0.000 3.275 373 V CB -1.154 30.802 31.823 0.221 0.000 0.536 373 V HN 0.262 nan 8.190 nan 0.000 0.542 374 F N 0.964 120.611 119.950 -0.505 0.000 2.411 374 F HA -0.133 4.399 4.527 0.007 0.000 0.299 374 F C 2.087 177.694 175.800 -0.322 0.000 1.077 374 F CA 1.864 59.515 58.000 -0.581 0.000 1.439 374 F CB -0.568 38.357 39.000 -0.125 0.000 1.085 374 F HN 0.428 nan 8.300 nan 0.000 0.564 375 D N -0.504 119.868 120.400 -0.046 0.000 2.347 375 D HA -0.066 4.579 4.640 0.009 0.000 0.213 375 D C 1.999 178.289 176.300 -0.017 0.000 0.985 375 D CA 0.422 54.425 54.000 0.005 0.000 0.879 375 D CB 0.044 40.859 40.800 0.026 0.000 0.919 375 D HN 0.322 nan 8.370 nan 0.000 0.526 376 E N 0.281 120.417 120.200 -0.106 0.000 2.107 376 E HA -0.079 4.276 4.350 0.009 0.000 0.191 376 E C 1.931 178.626 176.600 0.158 0.000 0.982 376 E CA 0.446 56.847 56.400 0.001 0.000 0.809 376 E CB -0.172 29.526 29.700 -0.004 0.000 0.756 376 E HN 0.295 nan 8.360 nan 0.000 0.459 377 F N 1.785 121.741 119.950 0.009 0.000 2.113 377 F HA -0.070 4.458 4.527 0.002 0.000 0.297 377 F C 2.378 178.148 175.800 -0.050 0.000 1.103 377 F CA 0.501 58.468 58.000 -0.056 0.000 1.248 377 F CB -1.172 37.767 39.000 -0.102 0.000 0.999 377 F HN -0.011 nan 8.300 nan 0.000 0.475 378 K N 0.816 121.326 120.400 0.184 0.000 2.049 378 K HA -0.229 4.097 4.320 0.009 0.000 0.219 378 K C -0.613 176.015 176.600 0.047 0.000 1.056 378 K CA 2.481 58.828 56.287 0.101 0.000 0.946 378 K CB -1.364 31.187 32.500 0.085 0.000 0.723 378 K HN 0.166 nan 8.250 nan 0.000 0.453 379 P HA -0.135 nan 4.420 nan 0.000 0.221 379 P C 1.340 178.632 177.300 -0.013 0.000 1.150 379 P CA 0.908 64.016 63.100 0.015 0.000 0.800 379 P CB 0.078 31.792 31.700 0.022 0.000 0.787 380 L N -0.435 120.780 121.223 -0.013 0.000 2.072 380 L HA -0.066 4.279 4.340 0.009 0.000 0.205 380 L C 2.733 179.509 176.870 -0.156 0.000 1.079 380 L CA 1.363 56.160 54.840 -0.072 0.000 0.752 380 L CB -1.570 40.447 42.059 -0.070 0.000 0.906 380 L HN -0.177 nan 8.230 nan 0.000 0.436 381 V N -0.744 119.063 119.914 -0.180 0.000 2.358 381 V HA -0.231 3.894 4.120 0.009 0.000 0.246 381 V C 2.365 178.327 176.094 -0.221 0.000 1.047 381 V CA 1.394 63.502 62.300 -0.319 0.000 1.035 381 V CB -0.429 31.220 31.823 -0.289 0.000 0.658 381 V HN 0.462 nan 8.190 nan 0.000 0.452 382 E N -0.412 119.722 120.200 -0.109 0.000 2.150 382 E HA -0.206 4.149 4.350 0.009 0.000 0.193 382 E C 2.292 178.855 176.600 -0.061 0.000 0.985 382 E CA 0.816 57.177 56.400 -0.065 0.000 0.814 382 E CB -0.102 29.584 29.700 -0.024 0.000 0.752 382 E HN 0.547 nan 8.360 nan 0.000 0.466 383 E N 1.031 121.192 120.200 -0.064 0.000 2.033 383 E HA -0.170 4.185 4.350 0.009 0.000 0.199 383 E C -0.635 175.934 176.600 -0.053 0.000 1.011 383 E CA 1.621 57.993 56.400 -0.047 0.000 0.815 383 E CB -0.861 28.812 29.700 -0.045 0.000 0.755 383 E HN 0.196 nan 8.360 nan 0.000 0.451 384 P HA -0.126 nan 4.420 nan 0.000 0.217 384 P C 1.404 178.663 177.300 -0.068 0.000 1.150 384 P CA 1.363 64.414 63.100 -0.081 0.000 0.832 384 P CB -0.185 31.438 31.700 -0.128 0.000 0.787 385 Q N -0.427 119.323 119.800 -0.083 0.000 2.084 385 Q HA -0.128 4.217 4.340 0.009 0.000 0.202 385 Q C 2.153 178.139 176.000 -0.023 0.000 0.978 385 Q CA 1.194 56.967 55.803 -0.051 0.000 0.844 385 Q CB -0.495 28.212 28.738 -0.051 0.000 0.898 385 Q HN 0.286 nan 8.270 nan 0.000 0.426 386 N N 0.828 119.516 118.700 -0.019 0.000 2.120 386 N HA -0.113 4.633 4.740 0.009 0.000 0.188 386 N C 1.853 177.367 175.510 0.007 0.000 1.024 386 N CA 0.955 54.003 53.050 -0.003 0.000 0.852 386 N CB -0.286 38.200 38.487 -0.001 0.000 1.003 386 N HN 0.205 nan 8.380 nan 0.000 0.424 387 L N 0.628 121.854 121.223 0.006 0.000 2.079 387 L HA -0.135 4.210 4.340 0.009 0.000 0.210 387 L C 2.040 178.926 176.870 0.027 0.000 1.081 387 L CA 0.714 55.568 54.840 0.024 0.000 0.752 387 L CB -0.323 41.752 42.059 0.026 0.000 0.896 387 L HN 0.147 nan 8.230 nan 0.000 0.433 388 I N 0.592 121.166 120.570 0.007 0.000 2.163 388 I HA -0.278 3.897 4.170 0.009 0.000 0.240 388 I C 3.121 179.238 176.117 -0.000 0.000 1.081 388 I CA 1.911 63.210 61.300 -0.002 0.000 1.353 388 I CB -1.324 36.666 38.000 -0.016 0.000 1.054 388 I HN 0.215 nan 8.210 nan 0.000 0.407 389 K N 0.834 121.236 120.400 0.004 0.000 2.002 389 K HA -0.224 4.102 4.320 0.009 0.000 0.209 389 K C 2.040 178.650 176.600 0.016 0.000 1.048 389 K CA 1.811 58.103 56.287 0.008 0.000 0.930 389 K CB -1.321 31.185 32.500 0.010 0.000 0.714 389 K HN 0.548 nan 8.250 nan 0.000 0.438 390 Q N 0.245 120.060 119.800 0.025 0.000 2.096 390 Q HA -0.216 4.130 4.340 0.009 0.000 0.204 390 Q C 1.874 177.910 176.000 0.061 0.000 0.982 390 Q CA 1.981 57.808 55.803 0.039 0.000 0.850 390 Q CB -0.135 28.628 28.738 0.040 0.000 0.901 390 Q HN 0.647 nan 8.270 nan 0.000 0.422 391 N N -0.366 118.378 118.700 0.073 0.000 2.300 391 N HA -0.066 4.679 4.740 0.009 0.000 0.179 391 N C 1.699 177.206 175.510 -0.004 0.000 1.016 391 N CA 1.012 54.138 53.050 0.126 0.000 0.876 391 N CB -0.155 38.446 38.487 0.190 0.000 0.979 391 N HN 0.318 nan 8.380 nan 0.000 0.432 392 c N 1.192 119.772 118.600 -0.033 0.000 2.446 392 c HA 0.047 4.623 4.570 0.009 0.000 0.279 392 c C 2.438 176.523 174.090 -0.008 0.000 1.366 392 c CA 0.189 56.477 56.329 -0.069 0.000 1.763 392 c CB -0.593 41.882 42.510 -0.058 0.000 1.929 392 c HN 0.472 nan 8.230 nan 0.000 0.509 393 E N 0.460 120.662 120.200 0.002 0.000 2.047 393 E HA -0.203 4.152 4.350 0.009 0.000 0.191 393 E C 2.016 178.614 176.600 -0.003 0.000 0.987 393 E CA 0.909 57.314 56.400 0.009 0.000 0.799 393 E CB -0.315 29.394 29.700 0.015 0.000 0.752 393 E HN 0.426 nan 8.360 nan 0.000 0.449 394 L N 0.914 122.145 121.223 0.014 0.000 2.042 394 L HA -0.175 4.171 4.340 0.009 0.000 0.210 394 L C 2.097 178.929 176.870 -0.063 0.000 1.076 394 L CA 1.623 56.490 54.840 0.044 0.000 0.749 394 L CB -0.721 41.454 42.059 0.193 0.000 0.893 394 L HN 0.098 nan 8.230 nan 0.000 0.432 395 F N -0.011 119.647 119.950 -0.487 0.000 2.216 395 F HA -0.148 4.384 4.527 0.009 0.000 0.300 395 F C 2.283 177.911 175.800 -0.286 0.000 1.085 395 F CA 1.462 59.034 58.000 -0.713 0.000 1.326 395 F CB -0.093 38.253 39.000 -1.090 0.000 1.027 395 F HN 0.156 nan 8.300 nan 0.000 0.497 396 E N 0.607 120.712 120.200 -0.158 0.000 2.047 396 E HA -0.193 4.163 4.350 0.009 0.000 0.191 396 E C 2.108 178.597 176.600 -0.186 0.000 0.987 396 E CA 1.434 57.745 56.400 -0.149 0.000 0.799 396 E CB -0.467 29.224 29.700 -0.016 0.000 0.752 396 E HN 0.622 nan 8.360 nan 0.000 0.449 397 Q N 0.410 120.138 119.800 -0.120 0.000 1.891 397 Q HA -0.075 4.270 4.340 0.009 0.000 0.214 397 Q C 1.415 177.349 176.000 -0.110 0.000 0.995 397 Q CA 0.925 56.679 55.803 -0.082 0.000 0.866 397 Q CB -0.410 28.306 28.738 -0.036 0.000 0.931 397 Q HN 0.152 nan 8.270 nan 0.000 0.422 398 L N -0.013 121.153 121.223 -0.095 0.000 2.456 398 L HA 0.199 4.545 4.340 0.009 0.000 0.246 398 L C 0.853 177.600 176.870 -0.206 0.000 1.238 398 L CA -0.247 54.548 54.840 -0.074 0.000 0.826 398 L CB -0.224 41.847 42.059 0.019 0.000 1.150 398 L HN 0.241 nan 8.230 nan 0.000 0.514 399 G N -1.383 107.335 108.800 -0.137 0.000 2.601 399 G HA2 0.233 4.198 3.960 0.009 0.000 0.317 399 G HA3 0.233 4.198 3.960 0.009 0.000 0.317 399 G C 0.372 175.186 174.900 -0.143 0.000 1.246 399 G CA -0.325 44.632 45.100 -0.239 0.000 1.012 399 G HN 0.783 nan 8.290 nan 0.000 0.494 400 E N -1.159 118.998 120.200 -0.071 0.000 2.048 400 E HA -0.324 4.031 4.350 0.009 0.000 0.202 400 E C 1.862 178.651 176.600 0.315 0.000 1.021 400 E CA 1.905 58.494 56.400 0.315 0.000 0.825 400 E CB -0.333 29.580 29.700 0.356 0.000 0.756 400 E HN 0.505 nan 8.360 nan 0.000 0.454 401 Y N 1.341 121.715 120.300 0.123 0.000 2.040 401 Y HA -0.271 4.285 4.550 0.010 0.000 0.275 401 Y C 2.094 178.050 175.900 0.093 0.000 1.171 401 Y CA 2.407 60.565 58.100 0.097 0.000 1.123 401 Y CB -0.205 38.293 38.460 0.064 0.000 0.963 401 Y HN -0.029 nan 8.280 nan 0.000 0.493 402 K N -1.205 119.180 120.400 -0.026 0.000 2.211 402 K HA -0.162 4.163 4.320 0.009 0.000 0.203 402 K C 1.977 178.563 176.600 -0.022 0.000 1.050 402 K CA 1.223 57.445 56.287 -0.109 0.000 0.945 402 K CB -0.451 32.061 32.500 0.020 0.000 0.732 402 K HN 0.344 nan 8.250 nan 0.000 0.451 403 F N 2.493 122.401 119.950 -0.070 0.000 2.206 403 F HA -0.119 4.413 4.527 0.007 0.000 0.298 403 F C 1.993 177.789 175.800 -0.006 0.000 1.090 403 F CA 1.367 59.367 58.000 -0.000 0.000 1.323 403 F CB -0.103 38.971 39.000 0.124 0.000 1.028 403 F HN -0.028 nan 8.300 nan 0.000 0.492 404 Q N -0.052 119.674 119.800 -0.123 0.000 2.124 404 Q HA -0.190 4.156 4.340 0.009 0.000 0.202 404 Q C 1.774 177.625 176.000 -0.249 0.000 0.977 404 Q CA 1.473 57.148 55.803 -0.214 0.000 0.850 404 Q CB -0.322 28.372 28.738 -0.074 0.000 0.901 404 Q HN 0.380 nan 8.270 nan 0.000 0.429 405 N N 0.610 119.142 118.700 -0.280 0.000 2.244 405 N HA -0.101 4.645 4.740 0.009 0.000 0.183 405 N C 1.513 176.906 175.510 -0.195 0.000 1.016 405 N CA 1.247 54.150 53.050 -0.244 0.000 0.866 405 N CB -0.272 38.041 38.487 -0.290 0.000 0.980 405 N HN 0.246 nan 8.380 nan 0.000 0.430 406 A N 1.014 123.707 122.820 -0.211 0.000 1.898 406 A HA -0.001 4.325 4.320 0.009 0.000 0.216 406 A C 2.284 179.696 177.584 -0.286 0.000 1.181 406 A CA 0.769 52.687 52.037 -0.198 0.000 0.620 406 A CB -0.626 18.293 19.000 -0.135 0.000 0.819 406 A HN 0.190 nan 8.150 nan 0.000 0.442 407 L N -1.084 119.910 121.223 -0.382 0.000 2.093 407 L HA -0.158 4.187 4.340 0.009 0.000 0.208 407 L C 2.518 179.242 176.870 -0.243 0.000 1.085 407 L CA 0.692 55.299 54.840 -0.388 0.000 0.755 407 L CB -0.604 41.315 42.059 -0.232 0.000 0.904 407 L HN 0.322 nan 8.230 nan 0.000 0.435 408 L N -0.274 120.865 121.223 -0.141 0.000 2.013 408 L HA -0.208 4.137 4.340 0.009 0.000 0.212 408 L C 2.462 179.280 176.870 -0.086 0.000 1.073 408 L CA 1.699 56.501 54.840 -0.063 0.000 0.753 408 L CB -0.612 41.402 42.059 -0.075 0.000 0.890 408 L HN -0.046 nan 8.230 nan 0.000 0.432 409 V N -0.731 119.105 119.914 -0.129 0.000 2.295 409 V HA -0.291 3.834 4.120 0.009 0.000 0.246 409 V C 2.695 178.694 176.094 -0.158 0.000 1.049 409 V CA 1.929 64.161 62.300 -0.113 0.000 1.024 409 V CB -0.646 31.114 31.823 -0.104 0.000 0.648 409 V HN 0.457 nan 8.190 nan 0.000 0.447 410 R N -0.935 119.397 120.500 -0.280 0.000 2.091 410 R HA -0.207 4.139 4.340 0.009 0.000 0.238 410 R C 2.246 178.304 176.300 -0.403 0.000 1.136 410 R CA 2.139 57.995 56.100 -0.408 0.000 0.959 410 R CB -0.265 29.640 30.300 -0.659 0.000 0.856 410 R HN 0.574 nan 8.270 nan 0.000 0.437 411 Y N -0.949 119.312 120.300 -0.066 0.000 2.490 411 Y HA 0.087 4.641 4.550 0.006 0.000 0.285 411 Y C 2.337 178.200 175.900 -0.063 0.000 1.117 411 Y CA 0.841 58.908 58.100 -0.056 0.000 1.262 411 Y CB -0.331 38.090 38.460 -0.066 0.000 1.043 411 Y HN 0.020 nan 8.280 nan 0.000 0.553 412 T N 0.178 114.754 114.554 0.036 0.000 2.821 412 T HA -0.137 4.219 4.350 0.009 0.000 0.267 412 T C 1.705 176.360 174.700 -0.075 0.000 1.046 412 T CA 1.371 63.457 62.100 -0.023 0.000 1.139 412 T CB -0.107 68.743 68.868 -0.030 0.000 0.871 412 T HN 0.335 nan 8.240 nan 0.000 0.454 413 K N 0.835 121.200 120.400 -0.058 0.000 2.217 413 K HA 0.046 4.372 4.320 0.009 0.000 0.202 413 K C 2.239 178.816 176.600 -0.039 0.000 1.051 413 K CA 0.673 56.925 56.287 -0.058 0.000 0.952 413 K CB 0.077 32.550 32.500 -0.046 0.000 0.736 413 K HN 0.241 nan 8.250 nan 0.000 0.453 414 K N 0.782 121.181 120.400 -0.002 0.000 2.137 414 K HA -0.003 4.322 4.320 0.009 0.000 0.202 414 K C 1.110 177.721 176.600 0.019 0.000 1.052 414 K CA 0.994 57.303 56.287 0.035 0.000 0.961 414 K CB 0.459 33.028 32.500 0.115 0.000 0.741 414 K HN 0.098 nan 8.250 nan 0.000 0.452 415 V N -1.360 118.554 119.914 -0.001 0.000 2.554 415 V HA 0.243 4.368 4.120 0.009 0.000 0.258 415 V C -2.706 173.323 176.094 -0.109 0.000 0.919 415 V CA -1.553 60.731 62.300 -0.025 0.000 0.910 415 V CB 1.429 33.268 31.823 0.028 0.000 1.100 415 V HN -0.156 nan 8.190 nan 0.000 0.491 416 P HA -0.066 nan 4.420 nan 0.000 0.222 416 P C 1.378 178.451 177.300 -0.378 0.000 1.147 416 P CA 1.241 63.999 63.100 -0.571 0.000 0.790 416 P CB 0.260 31.045 31.700 -1.525 0.000 0.780 417 Q N -0.819 118.880 119.800 -0.167 0.000 2.291 417 Q HA -0.026 4.320 4.340 0.009 0.000 0.205 417 Q C 0.663 176.685 176.000 0.037 0.000 0.970 417 Q CA 0.557 56.374 55.803 0.024 0.000 0.876 417 Q CB -0.980 27.810 28.738 0.086 0.000 0.935 417 Q HN 0.136 nan 8.270 nan 0.000 0.455 418 V N 0.832 120.756 119.914 0.016 0.000 2.811 418 V HA 0.017 4.143 4.120 0.009 0.000 0.302 418 V C 0.552 176.661 176.094 0.024 0.000 1.063 418 V CA -0.462 61.863 62.300 0.043 0.000 1.088 418 V CB 1.405 33.254 31.823 0.044 0.000 0.982 418 V HN 0.164 nan 8.190 nan 0.000 0.485 419 S N 2.785 118.503 115.700 0.031 0.000 2.546 419 S HA -0.022 4.454 4.470 0.009 0.000 0.290 419 S C 1.459 176.064 174.600 0.009 0.000 1.290 419 S CA 0.271 58.481 58.200 0.017 0.000 1.069 419 S CB 0.617 63.827 63.200 0.015 0.000 0.846 419 S HN 0.896 nan 8.310 nan 0.000 0.495 420 T N 6.964 121.519 114.554 0.002 0.000 2.635 420 T HA -0.068 4.287 4.350 0.009 0.000 0.267 420 T C -0.862 173.838 174.700 0.000 0.000 1.040 420 T CA 1.802 63.901 62.100 -0.002 0.000 1.156 420 T CB -1.031 67.829 68.868 -0.014 0.000 0.863 420 T HN 0.709 nan 8.240 nan 0.000 0.430 421 P HA -0.040 nan 4.420 nan 0.000 0.220 421 P C 1.313 178.616 177.300 0.005 0.000 1.148 421 P CA 1.189 64.291 63.100 0.003 0.000 0.803 421 P CB -0.287 31.414 31.700 0.001 0.000 0.782 422 T N 0.665 115.222 114.554 0.005 0.000 2.737 422 T HA -0.038 4.318 4.350 0.009 0.000 0.265 422 T C 2.016 176.712 174.700 -0.007 0.000 1.038 422 T CA 0.882 62.984 62.100 0.003 0.000 1.144 422 T CB -0.806 68.071 68.868 0.015 0.000 0.866 422 T HN 0.047 nan 8.240 nan 0.000 0.434 423 L N 0.851 122.073 121.223 -0.002 0.000 2.042 423 L HA -0.113 4.232 4.340 0.009 0.000 0.210 423 L C 2.660 179.530 176.870 0.001 0.000 1.076 423 L CA 0.986 55.825 54.840 -0.002 0.000 0.749 423 L CB -0.595 41.471 42.059 0.010 0.000 0.893 423 L HN 0.152 nan 8.230 nan 0.000 0.432 424 V N -0.332 119.586 119.914 0.006 0.000 2.295 424 V HA -0.318 3.807 4.120 0.009 0.000 0.246 424 V C 2.420 178.521 176.094 0.010 0.000 1.049 424 V CA 2.078 64.386 62.300 0.013 0.000 1.024 424 V CB -0.479 31.357 31.823 0.022 0.000 0.648 424 V HN 0.503 nan 8.190 nan 0.000 0.447 425 E N 0.070 120.273 120.200 0.005 0.000 2.028 425 E HA -0.180 4.175 4.350 0.009 0.000 0.191 425 E C 2.256 178.846 176.600 -0.017 0.000 0.988 425 E CA 1.665 58.067 56.400 0.002 0.000 0.799 425 E CB -0.047 29.654 29.700 0.002 0.000 0.755 425 E HN 0.381 nan 8.360 nan 0.000 0.447 426 V N 0.935 120.825 119.914 -0.041 0.000 2.282 426 V HA -0.292 3.833 4.120 0.009 0.000 0.249 426 V C 2.394 178.437 176.094 -0.084 0.000 1.057 426 V CA 2.115 64.363 62.300 -0.087 0.000 1.032 426 V CB -0.562 31.178 31.823 -0.139 0.000 0.645 426 V HN 0.254 nan 8.190 nan 0.000 0.447 427 S N -0.787 114.886 115.700 -0.044 0.000 2.402 427 S HA -0.140 4.335 4.470 0.009 0.000 0.229 427 S C 2.047 176.635 174.600 -0.020 0.000 1.021 427 S CA 1.224 59.417 58.200 -0.011 0.000 0.974 427 S CB -0.263 62.950 63.200 0.022 0.000 0.800 427 S HN 0.561 nan 8.310 nan 0.000 0.484 428 R N 1.505 122.003 120.500 -0.004 0.000 2.062 428 R HA 0.065 4.411 4.340 0.009 0.000 0.229 428 R C 1.884 178.195 176.300 0.019 0.000 1.128 428 R CA 1.241 57.354 56.100 0.023 0.000 0.960 428 R CB -0.392 29.932 30.300 0.040 0.000 0.855 428 R HN 0.330 nan 8.270 nan 0.000 0.432 429 N N 0.951 119.649 118.700 -0.003 0.000 2.166 429 N HA -0.140 4.606 4.740 0.009 0.000 0.186 429 N C 1.685 177.180 175.510 -0.025 0.000 1.019 429 N CA 0.904 53.946 53.050 -0.014 0.000 0.856 429 N CB -0.238 38.238 38.487 -0.019 0.000 0.993 429 N HN 0.045 nan 8.380 nan 0.000 0.426 430 L N 1.013 122.216 121.223 -0.033 0.000 2.083 430 L HA -0.021 4.324 4.340 0.009 0.000 0.209 430 L C 2.252 179.150 176.870 0.047 0.000 1.083 430 L CA 1.408 56.235 54.840 -0.022 0.000 0.752 430 L CB -1.339 40.692 42.059 -0.047 0.000 0.899 430 L HN 0.179 nan 8.230 nan 0.000 0.433 431 G N -1.199 107.637 108.800 0.060 0.000 2.408 431 G HA2 -0.243 3.723 3.960 0.009 0.000 0.217 431 G HA3 -0.243 3.723 3.960 0.009 0.000 0.217 431 G C 1.727 176.734 174.900 0.179 0.000 1.150 431 G CA 0.577 45.804 45.100 0.212 0.000 0.776 431 G HN 0.361 nan 8.290 nan 0.000 0.542 432 K N 0.099 120.529 120.400 0.049 0.000 2.057 432 K HA -0.013 4.312 4.320 0.009 0.000 0.207 432 K C 2.505 178.987 176.600 -0.196 0.000 1.049 432 K CA 1.019 57.277 56.287 -0.048 0.000 0.931 432 K CB -0.312 32.143 32.500 -0.075 0.000 0.714 432 K HN 0.203 nan 8.250 nan 0.000 0.440 433 V N 1.103 120.900 119.914 -0.194 0.000 2.469 433 V HA -0.220 3.905 4.120 0.009 0.000 0.251 433 V C 2.340 178.278 176.094 -0.260 0.000 1.064 433 V CA 2.187 64.321 62.300 -0.276 0.000 1.066 433 V CB -1.006 30.754 31.823 -0.106 0.000 0.667 433 V HN 0.516 nan 8.190 nan 0.000 0.461 434 G N 0.295 108.976 108.800 -0.197 0.000 2.394 434 G HA2 -0.221 3.744 3.960 0.009 0.000 0.214 434 G HA3 -0.221 3.744 3.960 0.009 0.000 0.214 434 G C 1.788 176.083 174.900 -1.009 0.000 1.176 434 G CA 1.104 45.931 45.100 -0.455 0.000 0.786 434 G HN 0.655 nan 8.290 nan 0.000 0.533 435 S N -0.123 115.068 115.700 -0.850 0.000 2.481 435 S HA 0.087 4.562 4.470 0.009 0.000 0.231 435 S C 1.934 176.337 174.600 -0.328 0.000 0.996 435 S CA 1.439 59.218 58.200 -0.702 0.000 0.942 435 S CB 0.104 63.325 63.200 0.035 0.000 0.768 435 S HN 0.377 nan 8.310 nan 0.000 0.520 436 K N 0.383 120.587 120.400 -0.326 0.000 2.099 436 K HA 0.245 4.570 4.320 0.009 0.000 0.203 436 K C 1.831 178.297 176.600 -0.224 0.000 1.047 436 K CA 1.100 57.256 56.287 -0.220 0.000 0.963 436 K CB -0.303 31.962 32.500 -0.391 0.000 0.759 436 K HN 0.421 nan 8.250 nan 0.000 0.451 437 c N -0.151 118.240 118.600 -0.348 0.000 2.504 437 c HA 0.081 4.656 4.570 0.009 0.000 0.279 437 c C 2.389 176.276 174.090 -0.339 0.000 1.358 437 c CA -0.156 55.897 56.329 -0.460 0.000 1.747 437 c CB -0.611 41.725 42.510 -0.289 0.000 2.037 437 c HN 0.605 nan 8.230 nan 0.000 0.503 438 c N 1.089 119.505 118.600 -0.307 0.000 2.449 438 c HA -0.056 4.520 4.570 0.009 0.000 0.283 438 c C 2.328 176.393 174.090 -0.042 0.000 1.453 438 c CA 0.886 57.093 56.329 -0.203 0.000 1.779 438 c CB -1.456 40.851 42.510 -0.338 0.000 1.779 438 c HN 0.611 nan 8.230 nan 0.000 0.546 439 K N -0.380 120.037 120.400 0.029 0.000 2.487 439 K HA 0.054 4.379 4.320 0.009 0.000 0.192 439 K C 0.373 177.112 176.600 0.231 0.000 1.027 439 K CA 0.378 56.750 56.287 0.142 0.000 1.054 439 K CB -0.026 32.563 32.500 0.149 0.000 0.824 439 K HN 0.736 nan 8.250 nan 0.000 0.510 440 H N 0.522 119.583 119.070 -0.015 0.000 2.508 440 H HA 0.210 4.772 4.556 0.010 0.000 0.344 440 H C -2.345 172.982 175.328 -0.003 0.000 1.192 440 H CA -2.533 53.513 56.048 -0.003 0.000 1.290 440 H CB 1.005 30.768 29.762 0.002 0.000 1.571 440 H HN -0.163 nan 8.280 nan 0.000 0.555 441 P HA 0.037 nan 4.420 nan 0.000 0.278 441 P C 0.321 177.664 177.300 0.071 0.000 1.238 441 P CA -0.203 62.939 63.100 0.070 0.000 0.794 441 P CB 0.956 32.680 31.700 0.040 0.000 0.955 442 E N 1.777 122.005 120.200 0.048 0.000 2.200 442 E HA -0.334 4.021 4.350 0.009 0.000 0.211 442 E C 1.786 178.415 176.600 0.049 0.000 1.048 442 E CA 2.036 58.460 56.400 0.041 0.000 0.851 442 E CB -0.523 29.198 29.700 0.036 0.000 0.747 442 E HN 0.531 nan 8.360 nan 0.000 0.462 443 A N 0.620 123.469 122.820 0.048 0.000 2.131 443 A HA -0.193 4.132 4.320 0.009 0.000 0.220 443 A C 1.696 179.311 177.584 0.051 0.000 1.158 443 A CA 1.316 53.381 52.037 0.046 0.000 0.665 443 A CB -0.047 18.967 19.000 0.023 0.000 0.795 443 A HN 0.085 nan 8.150 nan 0.000 0.460 444 K N -1.575 118.868 120.400 0.072 0.000 2.402 444 K HA 0.176 4.501 4.320 0.009 0.000 0.204 444 K C 1.611 178.249 176.600 0.063 0.000 1.056 444 K CA -0.256 56.087 56.287 0.093 0.000 1.069 444 K CB 0.417 33.023 32.500 0.177 0.000 0.888 444 K HN 0.350 nan 8.250 nan 0.000 0.546 445 R N 0.958 121.475 120.500 0.029 0.000 2.070 445 R HA 0.000 4.345 4.340 0.009 0.000 0.233 445 R C 2.266 178.542 176.300 -0.039 0.000 1.137 445 R CA 1.436 57.514 56.100 -0.036 0.000 0.945 445 R CB -0.173 30.112 30.300 -0.025 0.000 0.845 445 R HN 0.133 nan 8.270 nan 0.000 0.430 446 M N 0.492 120.084 119.600 -0.013 0.000 2.086 446 M HA -0.092 4.393 4.480 0.009 0.000 0.261 446 M C -0.884 175.402 176.300 -0.023 0.000 1.067 446 M CA 1.838 57.125 55.300 -0.022 0.000 1.116 446 M CB -0.707 31.880 32.600 -0.021 0.000 1.348 446 M HN -0.053 nan 8.290 nan 0.000 0.407 447 P HA -0.136 nan 4.420 nan 0.000 0.217 447 P C 1.645 178.924 177.300 -0.035 0.000 1.150 447 P CA 1.133 64.214 63.100 -0.032 0.000 0.832 447 P CB -0.277 31.404 31.700 -0.031 0.000 0.787 448 c N -0.226 118.355 118.600 -0.030 0.000 2.436 448 c HA -0.067 4.508 4.570 0.009 0.000 0.277 448 c C 2.828 176.942 174.090 0.040 0.000 1.241 448 c CA 1.635 57.947 56.329 -0.028 0.000 1.721 448 c CB -1.626 40.802 42.510 -0.137 0.000 2.043 448 c HN 0.215 nan 8.230 nan 0.000 0.472 449 A N 0.098 122.927 122.820 0.015 0.000 1.883 449 A HA -0.265 4.060 4.320 0.009 0.000 0.217 449 A C 2.180 179.791 177.584 0.046 0.000 1.186 449 A CA 2.188 54.250 52.037 0.042 0.000 0.624 449 A CB -1.137 17.861 19.000 -0.002 0.000 0.822 449 A HN 0.834 nan 8.150 nan 0.000 0.444 450 E N -0.222 119.985 120.200 0.010 0.000 2.049 450 E HA -0.326 4.029 4.350 0.009 0.000 0.198 450 E C 1.757 178.365 176.600 0.014 0.000 1.007 450 E CA 1.849 58.256 56.400 0.011 0.000 0.809 450 E CB -0.330 29.369 29.700 -0.000 0.000 0.749 450 E HN 0.642 nan 8.360 nan 0.000 0.450 451 D N -1.249 119.135 120.400 -0.027 0.000 2.103 451 D HA -0.215 4.430 4.640 0.009 0.000 0.190 451 D C 1.837 178.071 176.300 -0.110 0.000 0.997 451 D CA 1.801 55.741 54.000 -0.100 0.000 0.833 451 D CB -0.179 40.485 40.800 -0.227 0.000 0.961 451 D HN 0.280 nan 8.370 nan 0.000 0.447 452 Y N -0.473 119.823 120.300 -0.007 0.000 2.200 452 Y HA -0.019 4.536 4.550 0.008 0.000 0.290 452 Y C 2.034 177.920 175.900 -0.024 0.000 1.137 452 Y CA 0.374 58.467 58.100 -0.012 0.000 1.163 452 Y CB -0.458 37.987 38.460 -0.025 0.000 0.988 452 Y HN 0.083 nan 8.280 nan 0.000 0.518 453 L N -0.050 121.250 121.223 0.128 0.000 2.131 453 L HA -0.206 4.139 4.340 0.009 0.000 0.210 453 L C 2.572 179.446 176.870 0.007 0.000 1.092 453 L CA 1.988 56.851 54.840 0.039 0.000 0.759 453 L CB -1.205 40.864 42.059 0.017 0.000 0.903 453 L HN 0.337 nan 8.230 nan 0.000 0.435 454 S N -1.339 114.372 115.700 0.019 0.000 2.368 454 S HA -0.169 4.306 4.470 0.009 0.000 0.225 454 S C 2.037 176.637 174.600 -0.001 0.000 1.030 454 S CA 1.450 59.654 58.200 0.006 0.000 0.999 454 S CB -1.372 61.832 63.200 0.007 0.000 0.844 454 S HN 0.359 nan 8.310 nan 0.000 0.459 455 V N 0.481 120.403 119.914 0.013 0.000 2.283 455 V HA -0.035 4.090 4.120 0.009 0.000 0.243 455 V C 2.317 178.413 176.094 0.003 0.000 1.039 455 V CA 1.483 63.794 62.300 0.017 0.000 1.016 455 V CB -1.400 30.451 31.823 0.047 0.000 0.650 455 V HN 0.373 nan 8.190 nan 0.000 0.449 456 V N 0.200 120.115 119.914 0.001 0.000 2.324 456 V HA -0.249 3.877 4.120 0.009 0.000 0.250 456 V C 2.708 178.737 176.094 -0.108 0.000 1.060 456 V CA 2.446 64.719 62.300 -0.045 0.000 1.042 456 V CB -0.890 30.900 31.823 -0.054 0.000 0.650 456 V HN 0.477 nan 8.190 nan 0.000 0.450 457 L N 0.229 121.377 121.223 -0.125 0.000 2.072 457 L HA -0.083 4.262 4.340 0.009 0.000 0.205 457 L C 2.220 179.035 176.870 -0.093 0.000 1.079 457 L CA 1.957 56.679 54.840 -0.197 0.000 0.752 457 L CB -1.316 40.643 42.059 -0.167 0.000 0.906 457 L HN 0.449 nan 8.230 nan 0.000 0.436 458 N N -0.482 118.199 118.700 -0.031 0.000 2.043 458 N HA -0.224 4.522 4.740 0.009 0.000 0.193 458 N C 1.823 177.335 175.510 0.003 0.000 1.037 458 N CA 1.642 54.695 53.050 0.005 0.000 0.851 458 N CB -0.042 38.450 38.487 0.008 0.000 1.027 458 N HN 0.395 nan 8.380 nan 0.000 0.422 459 Q N -0.461 119.334 119.800 -0.008 0.000 2.096 459 Q HA -0.172 4.173 4.340 0.009 0.000 0.204 459 Q C 2.061 178.056 176.000 -0.007 0.000 0.982 459 Q CA 1.398 57.201 55.803 -0.000 0.000 0.850 459 Q CB -0.344 28.394 28.738 -0.000 0.000 0.901 459 Q HN 0.415 nan 8.270 nan 0.000 0.422 460 L N 0.664 121.857 121.223 -0.051 0.000 1.990 460 L HA -0.221 4.125 4.340 0.009 0.000 0.213 460 L C 2.260 179.141 176.870 0.017 0.000 1.072 460 L CA 1.926 56.726 54.840 -0.066 0.000 0.755 460 L CB -0.975 40.959 42.059 -0.209 0.000 0.889 460 L HN 0.265 nan 8.230 nan 0.000 0.432 461 c N -1.367 117.254 118.600 0.034 0.000 2.413 461 c HA -0.164 4.411 4.570 0.009 0.000 0.276 461 c C 2.741 176.900 174.090 0.115 0.000 1.236 461 c CA 0.974 57.369 56.329 0.110 0.000 1.735 461 c CB -1.028 41.552 42.510 0.116 0.000 2.031 461 c HN 0.561 nan 8.230 nan 0.000 0.474 462 V N 1.082 121.037 119.914 0.068 0.000 2.255 462 V HA -0.266 3.859 4.120 0.009 0.000 0.247 462 V C 2.361 178.490 176.094 0.059 0.000 1.051 462 V CA 2.107 64.439 62.300 0.053 0.000 1.018 462 V CB -0.743 31.099 31.823 0.033 0.000 0.641 462 V HN 0.559 nan 8.190 nan 0.000 0.445 463 L N -0.627 120.632 121.223 0.060 0.000 2.129 463 L HA -0.246 4.099 4.340 0.009 0.000 0.212 463 L C 2.562 179.476 176.870 0.074 0.000 1.087 463 L CA 1.898 56.770 54.840 0.053 0.000 0.757 463 L CB -0.823 41.264 42.059 0.048 0.000 0.896 463 L HN 0.514 nan 8.230 nan 0.000 0.434 464 H N 0.169 119.250 119.070 0.019 0.000 2.482 464 H HA -0.066 4.496 4.556 0.010 0.000 0.286 464 H C 2.167 177.509 175.328 0.023 0.000 1.017 464 H CA 1.297 57.361 56.048 0.027 0.000 1.322 464 H CB 0.535 30.326 29.762 0.049 0.000 1.426 464 H HN 0.438 nan 8.280 nan 0.000 0.546 465 E N 2.025 122.280 120.200 0.090 0.000 2.051 465 E HA -0.176 4.180 4.350 0.009 0.000 0.192 465 E C 2.175 178.760 176.600 -0.025 0.000 0.991 465 E CA 1.438 57.862 56.400 0.040 0.000 0.799 465 E CB -0.337 29.388 29.700 0.040 0.000 0.748 465 E HN 0.548 nan 8.360 nan 0.000 0.449 466 K N 0.024 120.408 120.400 -0.026 0.000 1.984 466 K HA -0.040 4.285 4.320 0.009 0.000 0.209 466 K C 1.134 177.691 176.600 -0.073 0.000 1.046 466 K CA 1.582 57.847 56.287 -0.037 0.000 0.934 466 K CB -0.073 32.415 32.500 -0.020 0.000 0.717 466 K HN 0.479 nan 8.250 nan 0.000 0.438 467 T N 1.798 116.289 114.554 -0.105 0.000 3.336 467 T HA 0.314 4.669 4.350 0.009 0.000 0.384 467 T C -2.677 171.848 174.700 -0.291 0.000 1.704 467 T CA -1.907 60.111 62.100 -0.136 0.000 1.334 467 T CB 0.803 69.623 68.868 -0.080 0.000 1.131 467 T HN -0.119 nan 8.240 nan 0.000 0.684 468 P HA 0.178 nan 4.420 nan 0.000 0.265 468 P C 0.326 177.431 177.300 -0.325 0.000 1.187 468 P CA -0.149 62.607 63.100 -0.573 0.000 0.766 468 P CB 0.959 32.521 31.700 -0.230 0.000 0.820 469 V N 0.157 119.947 119.914 -0.205 0.000 3.180 469 V HA 0.120 4.245 4.120 0.009 0.000 0.246 469 V C 0.449 176.655 176.094 0.187 0.000 1.545 469 V CA 0.459 62.800 62.300 0.068 0.000 1.138 469 V CB 0.816 32.704 31.823 0.108 0.000 0.978 469 V HN 0.523 nan 8.190 nan 0.000 0.437 470 S N 0.753 116.676 115.700 0.371 0.000 2.538 470 S HA 0.314 4.789 4.470 0.009 0.000 0.288 470 S C 0.538 175.236 174.600 0.163 0.000 1.108 470 S CA -0.172 58.146 58.200 0.196 0.000 0.971 470 S CB 1.660 64.930 63.200 0.116 0.000 1.041 470 S HN 0.549 nan 8.310 nan 0.000 0.483 471 D N 4.677 125.129 120.400 0.086 0.000 2.117 471 D HA -0.164 4.482 4.640 0.009 0.000 0.198 471 D C 1.462 177.760 176.300 -0.004 0.000 0.982 471 D CA 0.877 54.908 54.000 0.052 0.000 0.828 471 D CB -0.171 40.647 40.800 0.031 0.000 0.967 471 D HN 0.529 nan 8.370 nan 0.000 0.464 472 R N 0.722 121.206 120.500 -0.028 0.000 2.091 472 R HA -0.073 4.273 4.340 0.009 0.000 0.238 472 R C 2.681 178.869 176.300 -0.187 0.000 1.136 472 R CA 1.166 57.212 56.100 -0.090 0.000 0.959 472 R CB -0.539 29.722 30.300 -0.065 0.000 0.856 472 R HN 0.119 nan 8.270 nan 0.000 0.437 473 V N 0.385 120.188 119.914 -0.186 0.000 2.307 473 V HA -0.227 3.898 4.120 0.009 0.000 0.245 473 V C 2.074 178.001 176.094 -0.278 0.000 1.045 473 V CA 2.259 64.374 62.300 -0.310 0.000 1.024 473 V CB -0.618 30.861 31.823 -0.575 0.000 0.651 473 V HN 0.407 nan 8.190 nan 0.000 0.449 474 T N -0.144 114.330 114.554 -0.133 0.000 2.788 474 T HA -0.230 4.125 4.350 0.009 0.000 0.268 474 T C 1.961 176.634 174.700 -0.046 0.000 1.044 474 T CA 1.807 63.916 62.100 0.015 0.000 1.139 474 T CB -0.233 68.708 68.868 0.121 0.000 0.867 474 T HN 0.352 nan 8.240 nan 0.000 0.454 475 K N 1.230 121.576 120.400 -0.091 0.000 2.009 475 K HA -0.070 4.255 4.320 0.009 0.000 0.210 475 K C 2.328 178.832 176.600 -0.160 0.000 1.049 475 K CA 1.645 57.870 56.287 -0.103 0.000 0.929 475 K CB -1.145 31.289 32.500 -0.111 0.000 0.714 475 K HN 0.371 nan 8.250 nan 0.000 0.440 476 c N -0.074 118.330 118.600 -0.327 0.000 2.432 476 c HA -0.114 4.462 4.570 0.009 0.000 0.277 476 c C 2.894 176.847 174.090 -0.228 0.000 1.249 476 c CA 0.880 56.918 56.329 -0.485 0.000 1.725 476 c CB -1.128 40.575 42.510 -1.345 0.000 2.028 476 c HN 0.656 nan 8.230 nan 0.000 0.477 477 c N 0.982 119.511 118.600 -0.118 0.000 2.422 477 c HA -0.086 4.490 4.570 0.009 0.000 0.279 477 c C 2.656 176.791 174.090 0.076 0.000 1.305 477 c CA 1.954 58.331 56.329 0.080 0.000 1.757 477 c CB -1.623 40.954 42.510 0.112 0.000 1.962 477 c HN 0.831 nan 8.230 nan 0.000 0.499 478 T N -2.138 112.437 114.554 0.036 0.000 3.086 478 T HA 0.107 4.462 4.350 0.009 0.000 0.250 478 T C 0.212 174.962 174.700 0.083 0.000 1.074 478 T CA 0.116 62.248 62.100 0.054 0.000 0.988 478 T CB 0.053 68.937 68.868 0.027 0.000 0.988 478 T HN 0.454 nan 8.240 nan 0.000 0.530 479 E N 2.929 123.165 120.200 0.060 0.000 2.397 479 E HA 0.332 4.687 4.350 0.009 0.000 0.254 479 E C 0.308 176.992 176.600 0.141 0.000 1.231 479 E CA -0.174 56.261 56.400 0.059 0.000 0.954 479 E CB 0.667 30.360 29.700 -0.012 0.000 1.024 479 E HN 0.433 nan 8.360 nan 0.000 0.481 480 S N 1.914 117.661 115.700 0.079 0.000 2.572 480 S HA -0.028 4.447 4.470 0.009 0.000 0.279 480 S C 1.244 175.744 174.600 -0.167 0.000 1.341 480 S CA -0.337 57.850 58.200 -0.022 0.000 1.043 480 S CB 0.666 63.816 63.200 -0.084 0.000 0.887 480 S HN 0.640 nan 8.310 nan 0.000 0.516 481 L N 3.705 124.599 121.223 -0.549 0.000 2.089 481 L HA -0.090 4.255 4.340 0.009 0.000 0.213 481 L C 2.259 179.025 176.870 -0.172 0.000 1.079 481 L CA 1.704 56.336 54.840 -0.348 0.000 0.758 481 L CB -0.655 41.063 42.059 -0.568 0.000 0.891 481 L HN 0.721 nan 8.230 nan 0.000 0.433 482 V N -0.069 119.731 119.914 -0.191 0.000 2.970 482 V HA -0.139 3.986 4.120 0.009 0.000 0.260 482 V C 1.628 177.680 176.094 -0.070 0.000 1.100 482 V CA 1.571 63.806 62.300 -0.109 0.000 1.122 482 V CB -0.654 31.102 31.823 -0.112 0.000 0.721 482 V HN 0.606 nan 8.190 nan 0.000 0.483 483 N N -0.733 117.932 118.700 -0.059 0.000 2.220 483 N HA 0.071 4.816 4.740 0.009 0.000 0.195 483 N C 1.668 177.171 175.510 -0.012 0.000 1.123 483 N CA 0.000 53.029 53.050 -0.036 0.000 0.874 483 N CB 0.076 38.541 38.487 -0.037 0.000 0.995 483 N HN 0.421 nan 8.380 nan 0.000 0.498 484 R N 1.582 122.091 120.500 0.014 0.000 2.122 484 R HA -0.093 4.253 4.340 0.009 0.000 0.236 484 R C 2.150 178.554 176.300 0.173 0.000 1.129 484 R CA 1.541 57.693 56.100 0.085 0.000 0.925 484 R CB 0.019 30.395 30.300 0.126 0.000 0.850 484 R HN -0.039 nan 8.270 nan 0.000 0.431 485 R N 0.010 120.597 120.500 0.145 0.000 2.075 485 R HA -0.031 4.315 4.340 0.009 0.000 0.232 485 R C -0.873 175.501 176.300 0.122 0.000 1.126 485 R CA 1.393 57.592 56.100 0.165 0.000 0.963 485 R CB -1.277 29.068 30.300 0.075 0.000 0.858 485 R HN 0.305 nan 8.270 nan 0.000 0.435 486 P HA -0.095 nan 4.420 nan 0.000 0.218 486 P C 1.634 178.944 177.300 0.016 0.000 1.149 486 P CA 0.854 63.968 63.100 0.024 0.000 0.817 486 P CB -0.270 31.425 31.700 -0.008 0.000 0.785 487 c N -1.743 116.846 118.600 -0.018 0.000 2.432 487 c HA -0.145 4.431 4.570 0.009 0.000 0.277 487 c C 2.377 176.388 174.090 -0.132 0.000 1.249 487 c CA 0.759 57.020 56.329 -0.113 0.000 1.725 487 c CB -2.114 40.265 42.510 -0.218 0.000 2.028 487 c HN 0.063 nan 8.230 nan 0.000 0.477 488 F N 1.335 121.271 119.950 -0.024 0.000 2.186 488 F HA -0.040 4.493 4.527 0.011 0.000 0.299 488 F C 2.771 178.576 175.800 0.009 0.000 1.090 488 F CA 1.835 59.819 58.000 -0.027 0.000 1.307 488 F CB -0.626 38.338 39.000 -0.060 0.000 1.019 488 F HN 0.137 nan 8.300 nan 0.000 0.489 489 S N -0.374 115.439 115.700 0.188 0.000 2.423 489 S HA -0.087 4.389 4.470 0.009 0.000 0.231 489 S C 2.151 176.804 174.600 0.089 0.000 1.014 489 S CA 0.871 59.152 58.200 0.135 0.000 0.965 489 S CB -0.468 62.786 63.200 0.090 0.000 0.785 489 S HN 0.326 nan 8.310 nan 0.000 0.495 490 A N 0.665 123.516 122.820 0.052 0.000 2.235 490 A HA 0.296 4.621 4.320 0.009 0.000 0.208 490 A C 0.689 178.285 177.584 0.021 0.000 1.172 490 A CA 0.079 52.129 52.037 0.022 0.000 0.786 490 A CB -0.351 18.646 19.000 -0.006 0.000 0.804 490 A HN 0.395 nan 8.150 nan 0.000 0.479 491 L N 0.787 122.036 121.223 0.043 0.000 2.456 491 L HA 0.178 4.523 4.340 0.009 0.000 0.272 491 L C 0.387 177.285 176.870 0.047 0.000 1.189 491 L CA 0.119 54.984 54.840 0.041 0.000 0.846 491 L CB 0.548 42.654 42.059 0.078 0.000 1.111 491 L HN 0.390 nan 8.230 nan 0.000 0.475 492 E N 1.018 121.236 120.200 0.030 0.000 2.316 492 E HA 0.404 4.760 4.350 0.009 0.000 0.258 492 E C -0.996 175.618 176.600 0.023 0.000 0.952 492 E CA -1.113 55.301 56.400 0.024 0.000 0.818 492 E CB 1.961 31.670 29.700 0.016 0.000 1.260 492 E HN 0.186 nan 8.360 nan 0.000 0.416 493 V N 1.773 121.696 119.914 0.015 0.000 2.814 493 V HA -0.106 4.019 4.120 0.009 0.000 0.307 493 V C 0.231 176.341 176.094 0.026 0.000 1.089 493 V CA 0.617 62.925 62.300 0.014 0.000 1.212 493 V CB 0.231 32.060 31.823 0.010 0.000 0.912 493 V HN 0.622 nan 8.190 nan 0.000 0.497 494 D N 3.943 124.362 120.400 0.032 0.000 2.374 494 D HA 0.085 4.730 4.640 0.009 0.000 0.240 494 D C 1.057 177.408 176.300 0.085 0.000 1.229 494 D CA -0.224 53.811 54.000 0.057 0.000 0.895 494 D CB 1.004 41.840 40.800 0.059 0.000 1.046 494 D HN 0.549 nan 8.370 nan 0.000 0.498 495 E N 1.832 122.071 120.200 0.065 0.000 2.208 495 E HA -0.081 4.275 4.350 0.009 0.000 0.193 495 E C 1.531 178.174 176.600 0.073 0.000 0.988 495 E CA 0.663 57.099 56.400 0.060 0.000 0.828 495 E CB 0.081 29.803 29.700 0.038 0.000 0.763 495 E HN 0.479 nan 8.360 nan 0.000 0.478 496 T N 0.842 115.447 114.554 0.084 0.000 2.588 496 T HA -0.197 4.158 4.350 0.009 0.000 0.261 496 T C 0.625 175.391 174.700 0.109 0.000 1.069 496 T CA 0.604 62.753 62.100 0.082 0.000 1.172 496 T CB -0.681 68.238 68.868 0.085 0.000 0.863 496 T HN 0.174 nan 8.240 nan 0.000 0.408 497 Y N 2.648 122.961 120.300 0.022 0.000 3.084 497 Y HA -0.080 4.475 4.550 0.009 0.000 0.375 497 Y C -0.440 175.475 175.900 0.024 0.000 1.192 497 Y CA -0.459 57.657 58.100 0.026 0.000 1.588 497 Y CB -0.120 38.358 38.460 0.030 0.000 1.065 497 Y HN -0.046 nan 8.280 nan 0.000 0.585 498 V N 9.984 129.515 119.914 -0.638 0.000 2.350 498 V HA 0.244 4.370 4.120 0.009 0.000 0.276 498 V C -1.801 173.747 176.094 -0.910 0.000 1.028 498 V CA -1.835 60.150 62.300 -0.526 0.000 0.860 498 V CB 1.013 32.670 31.823 -0.277 0.000 0.990 498 V HN 0.726 nan 8.190 nan 0.000 0.453 499 P HA 0.038 nan 4.420 nan 0.000 0.264 499 P C -0.377 176.880 177.300 -0.072 0.000 1.183 499 P CA -0.057 62.905 63.100 -0.230 0.000 0.763 499 P CB 0.593 32.278 31.700 -0.027 0.000 0.807 500 K N 2.487 122.949 120.400 0.103 0.000 2.451 500 K HA 0.040 4.365 4.320 0.009 0.000 0.280 500 K C 0.753 177.508 176.600 0.259 0.000 1.020 500 K CA -0.065 56.307 56.287 0.141 0.000 1.008 500 K CB 0.242 32.844 32.500 0.171 0.000 0.917 500 K HN 0.473 nan 8.250 nan 0.000 0.478 501 E N 2.182 122.487 120.200 0.174 0.000 2.408 501 E HA -0.002 4.353 4.350 0.009 0.000 0.259 501 E C -0.298 176.382 176.600 0.134 0.000 1.110 501 E CA -0.524 56.021 56.400 0.241 0.000 0.929 501 E CB 0.161 29.951 29.700 0.150 0.000 0.971 501 E HN 0.331 nan 8.360 nan 0.000 0.438 502 F N 1.859 121.771 119.950 -0.062 0.000 2.629 502 F HA 0.050 4.582 4.527 0.008 0.000 0.369 502 F C 0.289 176.027 175.800 -0.103 0.000 1.125 502 F CA 0.781 58.576 58.000 -0.342 0.000 1.330 502 F CB 0.441 39.332 39.000 -0.182 0.000 1.071 502 F HN 0.449 nan 8.300 nan 0.000 0.595 503 N N 4.459 122.608 118.700 -0.918 0.000 2.504 503 N HA 0.317 5.063 4.740 0.009 0.000 0.280 503 N C 0.268 175.359 175.510 -0.698 0.000 1.052 503 N CA 0.232 52.953 53.050 -0.548 0.000 0.887 503 N CB 1.722 39.969 38.487 -0.400 0.000 1.323 503 N HN 0.778 nan 8.380 nan 0.000 0.509 504 A N 3.535 126.233 122.820 -0.204 0.000 1.903 504 A HA -0.230 4.095 4.320 0.009 0.000 0.219 504 A C 1.815 179.359 177.584 -0.067 0.000 1.191 504 A CA 1.824 53.903 52.037 0.071 0.000 0.638 504 A CB -0.513 18.592 19.000 0.176 0.000 0.823 504 A HN 0.767 nan 8.150 nan 0.000 0.451 505 E N -0.755 119.366 120.200 -0.131 0.000 2.019 505 E HA -0.162 4.193 4.350 0.009 0.000 0.208 505 E C 2.108 178.527 176.600 -0.302 0.000 1.030 505 E CA 2.138 58.441 56.400 -0.161 0.000 0.856 505 E CB -0.812 28.797 29.700 -0.152 0.000 0.781 505 E HN 0.536 nan 8.360 nan 0.000 0.471 506 T N -0.142 114.139 114.554 -0.455 0.000 2.771 506 T HA -0.243 4.112 4.350 0.009 0.000 0.262 506 T C 0.663 174.820 174.700 -0.905 0.000 1.027 506 T CA 1.723 63.383 62.100 -0.733 0.000 1.159 506 T CB -0.417 67.832 68.868 -1.033 0.000 0.844 506 T HN 0.102 nan 8.240 nan 0.000 0.478 507 F N 1.134 120.912 119.950 -0.287 0.000 2.923 507 F HA 0.336 4.868 4.527 0.008 0.000 0.314 507 F C 0.538 176.253 175.800 -0.142 0.000 1.196 507 F CA -0.624 57.289 58.000 -0.145 0.000 1.320 507 F CB 0.027 39.057 39.000 0.050 0.000 0.953 507 F HN -0.155 nan 8.300 nan 0.000 0.505 508 T N 0.732 115.067 114.554 -0.365 0.000 2.829 508 T HA 0.649 5.004 4.350 0.009 0.000 0.280 508 T C -0.838 173.528 174.700 -0.557 0.000 0.999 508 T CA -0.306 61.672 62.100 -0.203 0.000 0.983 508 T CB 1.405 70.223 68.868 -0.083 0.000 0.968 508 T HN -0.150 nan 8.240 nan 0.000 0.446 509 F N 1.099 121.116 119.950 0.112 0.000 2.576 509 F HA 0.597 5.129 4.527 0.008 0.000 0.313 509 F C 0.214 175.843 175.800 -0.284 0.000 1.078 509 F CA -1.047 57.013 58.000 0.099 0.000 0.921 509 F CB 1.679 40.935 39.000 0.427 0.000 1.232 509 F HN 0.560 nan 8.300 nan 0.000 0.459 510 H N -0.372 118.645 119.070 -0.087 0.000 2.812 510 H HA 0.637 5.198 4.556 0.009 0.000 0.355 510 H C 0.450 175.205 175.328 -0.955 0.000 1.207 510 H CA -0.657 55.148 56.048 -0.404 0.000 1.217 510 H CB 1.265 30.930 29.762 -0.162 0.000 1.874 510 H HN 0.660 nan 8.280 nan 0.000 0.581 511 A N 0.244 122.641 122.820 -0.705 0.000 2.259 511 A HA -0.164 4.162 4.320 0.009 0.000 0.212 511 A C 1.069 178.504 177.584 -0.249 0.000 1.178 511 A CA 1.350 53.054 52.037 -0.555 0.000 0.734 511 A CB -0.699 18.231 19.000 -0.116 0.000 0.774 511 A HN 0.730 nan 8.150 nan 0.000 0.481 512 D N 0.788 121.087 120.400 -0.168 0.000 2.158 512 D HA -0.236 4.409 4.640 0.009 0.000 0.197 512 D C 1.672 177.945 176.300 -0.045 0.000 0.995 512 D CA 1.883 55.840 54.000 -0.072 0.000 0.846 512 D CB -0.534 40.242 40.800 -0.039 0.000 0.941 512 D HN 0.784 nan 8.370 nan 0.000 0.456 513 I N -1.300 119.237 120.570 -0.054 0.000 3.176 513 I HA -0.079 4.096 4.170 0.009 0.000 0.275 513 I C 1.890 178.016 176.117 0.014 0.000 1.298 513 I CA 0.453 61.764 61.300 0.019 0.000 1.445 513 I CB -0.580 37.476 38.000 0.094 0.000 1.075 513 I HN -0.110 nan 8.210 nan 0.000 0.482 514 c N -0.242 118.351 118.600 -0.011 0.000 2.492 514 c HA 0.019 4.595 4.570 0.009 0.000 0.279 514 c C 2.697 176.793 174.090 0.010 0.000 1.335 514 c CA 0.986 57.330 56.329 0.025 0.000 1.734 514 c CB -1.124 41.419 42.510 0.055 0.000 2.027 514 c HN 0.668 nan 8.230 nan 0.000 0.496 515 T N 0.166 114.719 114.554 -0.001 0.000 3.067 515 T HA 0.225 4.580 4.350 0.009 0.000 0.257 515 T C 0.528 175.229 174.700 0.002 0.000 1.105 515 T CA 0.255 62.354 62.100 -0.001 0.000 1.104 515 T CB -0.211 68.654 68.868 -0.005 0.000 0.925 515 T HN 0.304 nan 8.240 nan 0.000 0.498 516 L N 2.723 123.949 121.223 0.006 0.000 2.436 516 L HA 0.341 4.687 4.340 0.009 0.000 0.265 516 L C 0.906 177.782 176.870 0.009 0.000 1.168 516 L CA -0.747 54.100 54.840 0.012 0.000 0.815 516 L CB 0.917 42.990 42.059 0.024 0.000 1.109 516 L HN 0.254 nan 8.230 nan 0.000 0.462 517 S N 0.537 116.242 115.700 0.008 0.000 2.617 517 S HA 0.131 4.607 4.470 0.009 0.000 0.269 517 S C 0.912 175.511 174.600 -0.002 0.000 1.292 517 S CA -0.771 57.430 58.200 0.001 0.000 1.010 517 S CB 1.419 64.620 63.200 0.002 0.000 0.944 517 S HN 0.610 nan 8.310 nan 0.000 0.536 518 E N 1.581 121.770 120.200 -0.019 0.000 2.119 518 E HA -0.291 4.064 4.350 0.009 0.000 0.221 518 E C 1.793 178.380 176.600 -0.022 0.000 1.062 518 E CA 2.067 58.441 56.400 -0.043 0.000 0.894 518 E CB -0.544 29.121 29.700 -0.058 0.000 0.785 518 E HN 0.851 nan 8.360 nan 0.000 0.472 519 K N 0.515 120.916 120.400 0.001 0.000 2.015 519 K HA -0.240 4.085 4.320 0.009 0.000 0.216 519 K C 2.073 178.700 176.600 0.045 0.000 1.052 519 K CA 2.064 58.368 56.287 0.028 0.000 0.937 519 K CB -0.072 32.445 32.500 0.028 0.000 0.719 519 K HN -0.061 nan 8.250 nan 0.000 0.446 520 E N -0.079 120.144 120.200 0.039 0.000 2.153 520 E HA -0.156 4.200 4.350 0.009 0.000 0.194 520 E C 1.937 178.580 176.600 0.072 0.000 0.988 520 E CA 1.061 57.491 56.400 0.050 0.000 0.811 520 E CB -0.056 29.666 29.700 0.037 0.000 0.746 520 E HN 0.290 nan 8.360 nan 0.000 0.466 521 R N 0.547 121.084 120.500 0.063 0.000 2.073 521 R HA -0.111 4.234 4.340 0.009 0.000 0.229 521 R C 2.035 178.415 176.300 0.132 0.000 1.120 521 R CA 1.344 57.498 56.100 0.089 0.000 0.967 521 R CB 0.017 30.346 30.300 0.047 0.000 0.862 521 R HN 0.197 nan 8.270 nan 0.000 0.436 522 Q N 0.263 120.126 119.800 0.105 0.000 2.050 522 Q HA -0.140 4.205 4.340 0.009 0.000 0.202 522 Q C 2.203 178.353 176.000 0.249 0.000 0.980 522 Q CA 1.766 57.703 55.803 0.224 0.000 0.840 522 Q CB -0.121 28.752 28.738 0.224 0.000 0.898 522 Q HN 0.427 nan 8.270 nan 0.000 0.424 523 I N 0.964 121.634 120.570 0.167 0.000 2.361 523 I HA -0.271 3.905 4.170 0.009 0.000 0.251 523 I C 2.758 178.955 176.117 0.133 0.000 1.133 523 I CA 1.463 62.842 61.300 0.131 0.000 1.413 523 I CB -0.470 37.584 38.000 0.091 0.000 1.073 523 I HN 0.222 nan 8.210 nan 0.000 0.424 524 K N 1.288 121.783 120.400 0.159 0.000 2.103 524 K HA -0.111 4.214 4.320 0.009 0.000 0.204 524 K C 2.027 178.781 176.600 0.258 0.000 1.052 524 K CA 1.183 57.585 56.287 0.191 0.000 0.945 524 K CB -0.521 32.110 32.500 0.219 0.000 0.722 524 K HN 0.328 nan 8.250 nan 0.000 0.443 525 K N 0.189 120.755 120.400 0.277 0.000 2.062 525 K HA -0.074 4.251 4.320 0.009 0.000 0.205 525 K C 2.617 179.313 176.600 0.160 0.000 1.051 525 K CA 1.439 57.890 56.287 0.273 0.000 0.941 525 K CB 0.027 32.739 32.500 0.355 0.000 0.719 525 K HN 0.482 nan 8.250 nan 0.000 0.440 526 Q N -0.068 119.827 119.800 0.158 0.000 2.170 526 Q HA -0.109 4.236 4.340 0.009 0.000 0.203 526 Q C 1.882 177.917 176.000 0.059 0.000 0.976 526 Q CA 1.472 57.324 55.803 0.081 0.000 0.858 526 Q CB 0.007 28.793 28.738 0.080 0.000 0.907 526 Q HN 0.282 nan 8.270 nan 0.000 0.433 527 T N 0.611 115.209 114.554 0.074 0.000 2.777 527 T HA -0.104 4.251 4.350 0.009 0.000 0.266 527 T C 1.900 176.617 174.700 0.028 0.000 1.040 527 T CA 1.116 63.239 62.100 0.039 0.000 1.141 527 T CB -0.213 68.674 68.868 0.032 0.000 0.868 527 T HN 0.386 nan 8.240 nan 0.000 0.444 528 A N 1.377 124.241 122.820 0.073 0.000 1.902 528 A HA -0.029 4.297 4.320 0.009 0.000 0.217 528 A C 2.212 179.888 177.584 0.153 0.000 1.181 528 A CA 1.190 53.291 52.037 0.107 0.000 0.623 528 A CB -0.817 18.334 19.000 0.251 0.000 0.818 528 A HN 0.381 nan 8.150 nan 0.000 0.443 529 L N 0.020 121.288 121.223 0.074 0.000 2.012 529 L HA -0.124 4.222 4.340 0.009 0.000 0.210 529 L C 2.470 179.382 176.870 0.070 0.000 1.073 529 L CA 1.916 56.787 54.840 0.051 0.000 0.748 529 L CB -0.704 41.354 42.059 -0.002 0.000 0.891 529 L HN 0.180 nan 8.230 nan 0.000 0.431 530 V N -0.314 119.630 119.914 0.049 0.000 2.287 530 V HA -0.254 3.871 4.120 0.009 0.000 0.248 530 V C 2.633 178.773 176.094 0.077 0.000 1.053 530 V CA 1.799 64.123 62.300 0.040 0.000 1.027 530 V CB -0.682 31.152 31.823 0.018 0.000 0.646 530 V HN 0.439 nan 8.190 nan 0.000 0.447 531 E N -0.216 120.033 120.200 0.082 0.000 2.153 531 E HA -0.201 4.154 4.350 0.009 0.000 0.194 531 E C 2.061 178.875 176.600 0.357 0.000 0.988 531 E CA 1.032 57.497 56.400 0.109 0.000 0.811 531 E CB -0.431 29.191 29.700 -0.131 0.000 0.746 531 E HN 0.456 nan 8.360 nan 0.000 0.466 532 L N 0.623 122.092 121.223 0.409 0.000 1.976 532 L HA -0.142 4.203 4.340 0.009 0.000 0.209 532 L C 2.319 179.328 176.870 0.231 0.000 1.071 532 L CA 1.467 56.523 54.840 0.360 0.000 0.746 532 L CB -0.892 41.273 42.059 0.176 0.000 0.890 532 L HN -0.096 nan 8.230 nan 0.000 0.432 533 V N 0.013 120.013 119.914 0.142 0.000 2.332 533 V HA -0.327 3.798 4.120 0.009 0.000 0.248 533 V C 2.612 178.786 176.094 0.133 0.000 1.055 533 V CA 2.133 64.487 62.300 0.091 0.000 1.038 533 V CB -0.795 31.049 31.823 0.034 0.000 0.651 533 V HN 0.477 nan 8.190 nan 0.000 0.450 534 K N -0.816 119.684 120.400 0.167 0.000 2.209 534 K HA -0.202 4.124 4.320 0.009 0.000 0.204 534 K C 2.163 178.994 176.600 0.384 0.000 1.048 534 K CA 1.476 57.910 56.287 0.246 0.000 0.940 534 K CB -0.215 32.405 32.500 0.201 0.000 0.729 534 K HN 0.577 nan 8.250 nan 0.000 0.451 535 H N 0.609 119.816 119.070 0.228 0.000 2.448 535 H HA 0.136 4.698 4.556 0.009 0.000 0.292 535 H C -0.262 175.161 175.328 0.158 0.000 1.035 535 H CA 0.978 57.152 56.048 0.210 0.000 1.349 535 H CB 0.550 30.471 29.762 0.264 0.000 1.425 535 H HN -0.169 nan 8.280 nan 0.000 0.539 536 K N 0.958 121.360 120.400 0.004 0.000 2.950 536 K HA 0.152 4.477 4.320 0.009 0.000 0.199 536 K C -2.478 174.129 176.600 0.013 0.000 1.144 536 K CA -1.187 55.049 56.287 -0.085 0.000 0.983 536 K CB 2.185 34.586 32.500 -0.164 0.000 1.187 536 K HN 0.179 nan 8.250 nan 0.000 0.595 537 P HA -0.128 nan 4.420 nan 0.000 0.234 537 P C 0.209 177.530 177.300 0.035 0.000 1.167 537 P CA 0.705 63.848 63.100 0.072 0.000 0.763 537 P CB 0.356 32.149 31.700 0.155 0.000 0.835 538 K N -0.401 120.009 120.400 0.017 0.000 2.437 538 K HA 0.336 4.662 4.320 0.009 0.000 0.205 538 K C 0.936 177.530 176.600 -0.010 0.000 1.026 538 K CA -0.325 55.964 56.287 0.003 0.000 1.153 538 K CB 0.472 32.971 32.500 -0.001 0.000 0.863 538 K HN 0.065 nan 8.250 nan 0.000 0.502 539 A N 1.089 123.902 122.820 -0.012 0.000 2.332 539 A HA 0.367 4.692 4.320 0.009 0.000 0.258 539 A C 0.229 177.803 177.584 -0.016 0.000 1.087 539 A CA 0.005 52.031 52.037 -0.018 0.000 0.802 539 A CB 0.321 19.309 19.000 -0.019 0.000 1.042 539 A HN 0.142 nan 8.150 nan 0.000 0.489 540 T N 0.882 115.425 114.554 -0.017 0.000 2.934 540 T HA 0.265 4.621 4.350 0.009 0.000 0.283 540 T C 1.180 175.869 174.700 -0.018 0.000 1.005 540 T CA -0.574 61.516 62.100 -0.016 0.000 1.041 540 T CB 1.327 70.187 68.868 -0.014 0.000 1.042 540 T HN 0.641 nan 8.240 nan 0.000 0.505 541 K N 0.768 121.157 120.400 -0.020 0.000 2.152 541 K HA -0.180 4.145 4.320 0.009 0.000 0.206 541 K C 2.196 178.787 176.600 -0.014 0.000 1.048 541 K CA 1.376 57.650 56.287 -0.021 0.000 0.933 541 K CB 0.061 32.549 32.500 -0.020 0.000 0.721 541 K HN 0.681 nan 8.250 nan 0.000 0.447 542 E N 1.144 121.337 120.200 -0.011 0.000 2.046 542 E HA -0.206 4.150 4.350 0.009 0.000 0.190 542 E C 1.990 178.586 176.600 -0.007 0.000 0.982 542 E CA 1.048 57.444 56.400 -0.007 0.000 0.800 542 E CB 0.172 29.867 29.700 -0.007 0.000 0.756 542 E HN 0.306 nan 8.360 nan 0.000 0.449 543 Q N 0.064 119.857 119.800 -0.011 0.000 2.020 543 Q HA -0.176 4.169 4.340 0.009 0.000 0.202 543 Q C 2.377 178.370 176.000 -0.012 0.000 0.982 543 Q CA 1.181 56.977 55.803 -0.013 0.000 0.838 543 Q CB -0.106 28.622 28.738 -0.017 0.000 0.899 543 Q HN 0.235 nan 8.270 nan 0.000 0.423 544 L N 1.374 122.589 121.223 -0.014 0.000 2.012 544 L HA -0.215 4.130 4.340 0.009 0.000 0.210 544 L C 2.299 179.167 176.870 -0.005 0.000 1.073 544 L CA 1.701 56.532 54.840 -0.013 0.000 0.748 544 L CB -0.570 41.478 42.059 -0.018 0.000 0.891 544 L HN 0.099 nan 8.230 nan 0.000 0.431 545 K N -0.424 119.974 120.400 -0.003 0.000 2.113 545 K HA -0.182 4.143 4.320 0.009 0.000 0.208 545 K C 1.931 178.542 176.600 0.018 0.000 1.047 545 K CA 1.578 57.869 56.287 0.007 0.000 0.928 545 K CB -0.200 32.302 32.500 0.004 0.000 0.716 545 K HN 0.380 nan 8.250 nan 0.000 0.446 546 A N 0.310 123.137 122.820 0.012 0.000 1.872 546 A HA -0.081 4.245 4.320 0.009 0.000 0.214 546 A C 2.409 180.010 177.584 0.028 0.000 1.187 546 A CA 1.445 53.492 52.037 0.017 0.000 0.614 546 A CB -0.553 18.451 19.000 0.006 0.000 0.826 546 A HN 0.111 nan 8.150 nan 0.000 0.442 547 V N 0.161 120.085 119.914 0.018 0.000 2.407 547 V HA -0.315 3.810 4.120 0.009 0.000 0.248 547 V C 2.640 178.775 176.094 0.068 0.000 1.055 547 V CA 2.181 64.495 62.300 0.024 0.000 1.049 547 V CB -0.722 31.093 31.823 -0.012 0.000 0.662 547 V HN 0.552 nan 8.190 nan 0.000 0.455 548 M N -0.541 119.094 119.600 0.058 0.000 2.086 548 M HA -0.178 4.308 4.480 0.009 0.000 0.261 548 M C 2.019 178.420 176.300 0.169 0.000 1.067 548 M CA 1.901 57.263 55.300 0.104 0.000 1.116 548 M CB -0.666 31.971 32.600 0.061 0.000 1.348 548 M HN 0.310 nan 8.290 nan 0.000 0.407 549 D N 0.735 121.201 120.400 0.109 0.000 2.097 549 D HA -0.162 4.484 4.640 0.009 0.000 0.195 549 D C 1.541 177.907 176.300 0.109 0.000 0.989 549 D CA 1.243 55.301 54.000 0.098 0.000 0.827 549 D CB -0.514 40.322 40.800 0.058 0.000 0.966 549 D HN 0.254 nan 8.370 nan 0.000 0.456 550 D N -0.720 119.741 120.400 0.102 0.000 2.311 550 D HA -0.149 4.497 4.640 0.009 0.000 0.212 550 D C 1.682 178.077 176.300 0.158 0.000 0.972 550 D CA 0.340 54.398 54.000 0.096 0.000 0.887 550 D CB -0.145 40.693 40.800 0.064 0.000 0.915 550 D HN 0.208 nan 8.370 nan 0.000 0.497 551 F N 1.299 121.276 119.950 0.045 0.000 2.179 551 F HA 0.089 4.622 4.527 0.009 0.000 0.292 551 F C 2.269 178.137 175.800 0.113 0.000 1.089 551 F CA 0.927 58.977 58.000 0.084 0.000 1.295 551 F CB -0.331 38.689 39.000 0.034 0.000 1.041 551 F HN -0.085 nan 8.300 nan 0.000 0.487 552 A N 0.699 123.608 122.820 0.149 0.000 1.892 552 A HA -0.205 4.121 4.320 0.009 0.000 0.218 552 A C 2.415 179.961 177.584 -0.064 0.000 1.188 552 A CA 2.346 54.406 52.037 0.038 0.000 0.631 552 A CB -1.640 17.415 19.000 0.090 0.000 0.822 552 A HN 0.506 nan 8.150 nan 0.000 0.447 553 A N -1.018 121.790 122.820 -0.019 0.000 1.851 553 A HA -0.089 4.236 4.320 0.009 0.000 0.216 553 A C 2.105 179.625 177.584 -0.106 0.000 1.195 553 A CA 1.695 53.705 52.037 -0.044 0.000 0.622 553 A CB -1.015 17.985 19.000 -0.000 0.000 0.831 553 A HN 0.915 nan 8.150 nan 0.000 0.444 554 F N 0.818 120.624 119.950 -0.240 0.000 2.111 554 F HA -0.279 4.254 4.527 0.009 0.000 0.300 554 F C 2.094 177.625 175.800 -0.448 0.000 1.088 554 F CA 2.287 60.090 58.000 -0.328 0.000 1.243 554 F CB -0.292 38.504 39.000 -0.340 0.000 0.996 554 F HN 0.061 nan 8.300 nan 0.000 0.483 555 V N 0.397 119.898 119.914 -0.688 0.000 2.237 555 V HA -0.309 3.817 4.120 0.009 0.000 0.245 555 V C 2.324 178.138 176.094 -0.467 0.000 1.046 555 V CA 2.241 64.142 62.300 -0.665 0.000 1.007 555 V CB -0.834 30.739 31.823 -0.417 0.000 0.638 555 V HN 0.366 nan 8.190 nan 0.000 0.445 556 E N 0.944 120.967 120.200 -0.295 0.000 2.035 556 E HA -0.307 4.048 4.350 0.009 0.000 0.204 556 E C 2.072 178.522 176.600 -0.250 0.000 1.025 556 E CA 2.219 58.497 56.400 -0.204 0.000 0.835 556 E CB -0.500 29.121 29.700 -0.133 0.000 0.764 556 E HN 0.454 nan 8.360 nan 0.000 0.457 557 K N 0.139 120.375 120.400 -0.272 0.000 2.049 557 K HA -0.213 4.112 4.320 0.009 0.000 0.219 557 K C 2.165 178.553 176.600 -0.353 0.000 1.056 557 K CA 2.453 58.582 56.287 -0.264 0.000 0.946 557 K CB -1.195 31.161 32.500 -0.241 0.000 0.723 557 K HN 0.371 nan 8.250 nan 0.000 0.453 558 c N -0.486 117.733 118.600 -0.635 0.000 2.475 558 c HA 0.144 4.719 4.570 0.009 0.000 0.279 558 c C 1.416 175.262 174.090 -0.406 0.000 1.322 558 c CA 0.153 56.006 56.329 -0.792 0.000 1.734 558 c CB -0.526 40.813 42.510 -1.950 0.000 2.005 558 c HN 0.556 nan 8.230 nan 0.000 0.495 559 c N 2.288 120.731 118.600 -0.262 0.000 2.861 559 c HA 0.275 4.850 4.570 0.009 0.000 0.542 559 c C 1.384 175.445 174.090 -0.048 0.000 1.074 559 c CA 0.452 56.782 56.329 0.002 0.000 1.232 559 c CB -2.249 40.295 42.510 0.057 0.000 1.433 559 c HN 0.763 nan 8.230 nan 0.000 0.606 560 K N -0.034 120.334 120.400 -0.054 0.000 1.429 560 K HA 0.042 4.368 4.320 0.009 0.000 0.089 560 K C 0.497 177.068 176.600 -0.048 0.000 2.304 560 K CA 0.265 56.523 56.287 -0.050 0.000 1.024 560 K CB -0.723 31.735 32.500 -0.070 0.000 2.538 560 K HN 0.385 nan 8.250 nan 0.000 0.354 561 A N 2.147 124.923 122.820 -0.073 0.000 2.462 561 A HA 0.151 4.476 4.320 0.009 0.000 0.243 561 A C 0.441 178.010 177.584 -0.025 0.000 1.076 561 A CA 0.471 52.472 52.037 -0.061 0.000 0.773 561 A CB 0.161 19.103 19.000 -0.095 0.000 1.010 561 A HN 0.346 nan 8.150 nan 0.000 0.493 562 D N 0.759 121.149 120.400 -0.017 0.000 2.269 562 D HA -0.187 4.458 4.640 0.009 0.000 0.191 562 D C 0.503 176.810 176.300 0.011 0.000 1.007 562 D CA 2.343 56.342 54.000 -0.002 0.000 0.855 562 D CB -0.181 40.617 40.800 -0.002 0.000 0.979 562 D HN 0.766 nan 8.370 nan 0.000 0.452 563 D N 0.408 120.816 120.400 0.013 0.000 2.479 563 D HA 0.020 4.666 4.640 0.009 0.000 0.218 563 D C 1.296 177.626 176.300 0.050 0.000 1.131 563 D CA -0.452 53.568 54.000 0.033 0.000 0.916 563 D CB 0.536 41.355 40.800 0.032 0.000 1.022 563 D HN -0.090 nan 8.370 nan 0.000 0.515 564 K N 3.411 123.860 120.400 0.083 0.000 2.009 564 K HA -0.208 4.118 4.320 0.009 0.000 0.210 564 K C 1.152 177.924 176.600 0.286 0.000 1.049 564 K CA 1.104 57.493 56.287 0.170 0.000 0.929 564 K CB -0.503 32.135 32.500 0.230 0.000 0.714 564 K HN 0.322 nan 8.250 nan 0.000 0.440 565 E N 0.930 121.262 120.200 0.220 0.000 2.072 565 E HA -0.193 4.163 4.350 0.009 0.000 0.218 565 E C 2.166 178.896 176.600 0.217 0.000 1.051 565 E CA 2.331 58.862 56.400 0.217 0.000 0.880 565 E CB -0.907 28.875 29.700 0.136 0.000 0.783 565 E HN 0.499 nan 8.360 nan 0.000 0.473 566 T N 1.219 115.857 114.554 0.139 0.000 2.597 566 T HA -0.261 4.095 4.350 0.009 0.000 0.267 566 T C 2.062 176.828 174.700 0.109 0.000 1.053 566 T CA 1.727 63.892 62.100 0.109 0.000 1.165 566 T CB -0.895 68.014 68.868 0.068 0.000 0.863 566 T HN 0.395 nan 8.240 nan 0.000 0.427 567 c N 0.762 119.397 118.600 0.057 0.000 2.363 567 c HA -0.206 4.369 4.570 0.009 0.000 0.274 567 c C 2.338 176.423 174.090 -0.008 0.000 1.183 567 c CA 0.978 57.283 56.329 -0.040 0.000 1.771 567 c CB -1.797 40.599 42.510 -0.190 0.000 2.059 567 c HN 0.601 nan 8.230 nan 0.000 0.455 568 F N 0.981 120.956 119.950 0.041 0.000 2.408 568 F HA 0.000 4.533 4.527 0.009 0.000 0.300 568 F C 2.316 178.244 175.800 0.213 0.000 1.090 568 F CA 1.226 59.305 58.000 0.133 0.000 1.427 568 F CB -0.275 38.761 39.000 0.060 0.000 1.070 568 F HN 0.372 nan 8.300 nan 0.000 0.549 569 A N -0.732 122.258 122.820 0.283 0.000 1.924 569 A HA 0.021 4.346 4.320 0.009 0.000 0.211 569 A C 2.136 179.815 177.584 0.158 0.000 1.198 569 A CA 0.589 52.742 52.037 0.193 0.000 0.657 569 A CB -0.154 18.932 19.000 0.143 0.000 0.852 569 A HN 0.107 nan 8.150 nan 0.000 0.454 570 E N 0.450 120.730 120.200 0.133 0.000 2.033 570 E HA -0.076 4.279 4.350 0.009 0.000 0.189 570 E C 1.632 178.295 176.600 0.105 0.000 0.979 570 E CA 0.824 57.281 56.400 0.096 0.000 0.802 570 E CB -0.375 29.364 29.700 0.066 0.000 0.763 570 E HN 0.483 nan 8.360 nan 0.000 0.449 571 E N 0.368 120.655 120.200 0.144 0.000 2.409 571 E HA -0.050 4.305 4.350 0.009 0.000 0.198 571 E C 1.877 178.589 176.600 0.186 0.000 1.024 571 E CA 0.676 57.187 56.400 0.185 0.000 0.861 571 E CB -0.179 29.655 29.700 0.223 0.000 0.788 571 E HN 0.313 nan 8.360 nan 0.000 0.521 572 G N 1.204 110.145 108.800 0.234 0.000 2.396 572 G HA2 -0.200 3.766 3.960 0.009 0.000 0.214 572 G HA3 -0.200 3.766 3.960 0.009 0.000 0.214 572 G C 1.630 176.536 174.900 0.010 0.000 1.166 572 G CA 0.192 45.330 45.100 0.062 0.000 0.793 572 G HN 0.175 nan 8.290 nan 0.000 0.533 573 K N 0.483 120.921 120.400 0.064 0.000 2.020 573 K HA -0.108 4.217 4.320 0.009 0.000 0.212 573 K C 2.556 179.156 176.600 0.001 0.000 1.050 573 K CA 1.420 57.733 56.287 0.044 0.000 0.929 573 K CB -0.154 32.374 32.500 0.047 0.000 0.714 573 K HN 0.181 nan 8.250 nan 0.000 0.443 574 K N 0.725 121.120 120.400 -0.008 0.000 1.977 574 K HA -0.212 4.114 4.320 0.009 0.000 0.218 574 K C 2.159 178.721 176.600 -0.063 0.000 1.051 574 K CA 1.559 57.830 56.287 -0.027 0.000 0.953 574 K CB -0.489 32.004 32.500 -0.011 0.000 0.727 574 K HN 0.003 nan 8.250 nan 0.000 0.445 575 L N 1.326 122.474 121.223 -0.125 0.000 1.991 575 L HA -0.287 4.058 4.340 0.009 0.000 0.221 575 L C 2.217 179.028 176.870 -0.099 0.000 1.079 575 L CA 1.692 56.433 54.840 -0.164 0.000 0.778 575 L CB -0.555 41.253 42.059 -0.418 0.000 0.893 575 L HN 0.037 nan 8.230 nan 0.000 0.437 576 V N -0.237 119.635 119.914 -0.071 0.000 2.252 576 V HA -0.374 3.751 4.120 0.009 0.000 0.249 576 V C 2.732 178.779 176.094 -0.079 0.000 1.056 576 V CA 1.985 64.276 62.300 -0.015 0.000 1.022 576 V CB -1.458 30.423 31.823 0.096 0.000 0.641 576 V HN 0.673 nan 8.190 nan 0.000 0.445 577 A N -0.072 122.704 122.820 -0.074 0.000 1.865 577 A HA -0.187 4.138 4.320 0.009 0.000 0.217 577 A C 2.446 179.979 177.584 -0.085 0.000 1.191 577 A CA 2.584 54.566 52.037 -0.093 0.000 0.623 577 A CB -1.034 17.929 19.000 -0.061 0.000 0.826 577 A HN 0.614 nan 8.150 nan 0.000 0.444 578 A N -0.716 122.066 122.820 -0.064 0.000 1.865 578 A HA -0.118 4.208 4.320 0.009 0.000 0.217 578 A C 2.458 180.008 177.584 -0.058 0.000 1.191 578 A CA 2.269 54.274 52.037 -0.053 0.000 0.623 578 A CB -1.169 17.808 19.000 -0.040 0.000 0.826 578 A HN 0.475 nan 8.150 nan 0.000 0.444 579 S N -0.306 115.357 115.700 -0.062 0.000 2.380 579 S HA -0.280 4.196 4.470 0.009 0.000 0.229 579 S C 2.123 176.679 174.600 -0.074 0.000 1.043 579 S CA 1.851 60.013 58.200 -0.063 0.000 1.038 579 S CB -0.420 62.738 63.200 -0.070 0.000 0.872 579 S HN 0.694 nan 8.310 nan 0.000 0.456 580 Q N 0.476 120.215 119.800 -0.102 0.000 2.084 580 Q HA -0.066 4.279 4.340 0.009 0.000 0.202 580 Q C 2.569 178.519 176.000 -0.084 0.000 0.978 580 Q CA 1.324 57.060 55.803 -0.111 0.000 0.844 580 Q CB -0.387 28.229 28.738 -0.203 0.000 0.898 580 Q HN 0.610 nan 8.270 nan 0.000 0.426 581 A N 1.420 124.194 122.820 -0.078 0.000 1.865 581 A HA -0.205 4.120 4.320 0.009 0.000 0.217 581 A C 2.354 179.909 177.584 -0.047 0.000 1.191 581 A CA 1.859 53.861 52.037 -0.059 0.000 0.623 581 A CB -1.010 17.959 19.000 -0.051 0.000 0.826 581 A HN 0.417 nan 8.150 nan 0.000 0.444 582 A N -0.455 122.339 122.820 -0.044 0.000 1.940 582 A HA -0.008 4.317 4.320 0.009 0.000 0.219 582 A C 1.809 179.371 177.584 -0.037 0.000 1.176 582 A CA 1.447 53.462 52.037 -0.035 0.000 0.631 582 A CB -0.583 18.398 19.000 -0.030 0.000 0.814 582 A HN 0.497 nan 8.150 nan 0.000 0.446 583 L N -0.328 120.868 121.223 -0.046 0.000 2.672 583 L HA 0.216 4.561 4.340 0.009 0.000 0.236 583 L C 1.373 178.210 176.870 -0.055 0.000 1.186 583 L CA 0.191 55.001 54.840 -0.049 0.000 0.977 583 L CB -0.829 41.197 42.059 -0.055 0.000 1.203 583 L HN 0.516 nan 8.230 nan 0.000 0.448 584 G N 0.742 109.513 108.800 -0.048 0.000 2.390 584 G HA2 -0.148 3.817 3.960 0.009 0.000 0.299 584 G HA3 -0.148 3.817 3.960 0.009 0.000 0.299 584 G C -0.152 174.716 174.900 -0.053 0.000 1.002 584 G CA 0.725 45.798 45.100 -0.046 0.000 0.979 584 G HN 0.582 nan 8.290 nan 0.000 0.513 585 L N 0.000 121.188 121.223 -0.058 0.000 2.949 585 L HA 0.000 4.345 4.340 0.009 0.000 0.249 585 L CA 0.000 nan 54.840 nan 0.000 0.813 585 L CB 0.000 nan 42.059 nan 0.000 0.961 585 L HN 0.000 nan 8.230 nan 0.000 0.502