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 2bxp_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 L 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 55.995 56.048 -0.089 0.000 1.023 3 H CB 0.000 29.671 29.762 -0.151 0.000 1.292 4 K N 1.206 121.655 120.400 0.082 0.000 2.211 4 K HA 0.043 4.367 4.320 0.007 0.000 0.203 4 K C 0.842 177.434 176.600 -0.013 0.000 1.050 4 K CA 1.594 57.888 56.287 0.011 0.000 0.945 4 K CB 0.251 32.741 32.500 -0.016 0.000 0.732 4 K HN 0.284 nan 8.250 nan 0.000 0.451 5 S N -0.243 115.418 115.700 -0.065 0.000 2.659 5 S HA 0.320 4.794 4.470 0.007 0.000 0.312 5 S C 0.385 175.013 174.600 0.045 0.000 1.114 5 S CA -0.604 57.580 58.200 -0.026 0.000 1.063 5 S CB 1.250 64.393 63.200 -0.096 0.000 0.996 5 S HN 0.417 nan 8.310 nan 0.000 0.478 6 E N 2.448 122.710 120.200 0.104 0.000 2.017 6 E HA -0.143 4.211 4.350 0.007 0.000 0.193 6 E C 2.000 178.713 176.600 0.189 0.000 0.997 6 E CA 1.895 58.393 56.400 0.163 0.000 0.804 6 E CB -0.167 29.627 29.700 0.157 0.000 0.757 6 E HN 0.739 nan 8.360 nan 0.000 0.448 7 V N 0.805 120.822 119.914 0.171 0.000 2.282 7 V HA -0.290 3.834 4.120 0.007 0.000 0.249 7 V C 2.435 178.577 176.094 0.080 0.000 1.057 7 V CA 1.928 64.341 62.300 0.187 0.000 1.032 7 V CB -1.368 30.571 31.823 0.193 0.000 0.645 7 V HN 0.254 nan 8.190 nan 0.000 0.447 8 A N -0.169 122.642 122.820 -0.014 0.000 1.883 8 A HA -0.305 4.019 4.320 0.007 0.000 0.217 8 A C 2.343 179.976 177.584 0.081 0.000 1.186 8 A CA 2.166 54.165 52.037 -0.063 0.000 0.624 8 A CB -1.126 17.789 19.000 -0.141 0.000 0.822 8 A HN 0.779 nan 8.150 nan 0.000 0.444 9 H N -0.480 118.617 119.070 0.045 0.000 2.319 9 H HA -0.121 4.439 4.556 0.007 0.000 0.299 9 H C 2.238 177.646 175.328 0.133 0.000 1.092 9 H CA 1.674 57.804 56.048 0.136 0.000 1.302 9 H CB 0.011 29.895 29.762 0.202 0.000 1.373 9 H HN 0.288 nan 8.280 nan 0.000 0.497 10 R N 0.049 120.605 120.500 0.093 0.000 2.081 10 R HA -0.153 4.192 4.340 0.007 0.000 0.235 10 R C 2.391 178.734 176.300 0.070 0.000 1.131 10 R CA 0.984 57.126 56.100 0.070 0.000 0.960 10 R CB -1.349 29.096 30.300 0.241 0.000 0.856 10 R HN 0.348 nan 8.270 nan 0.000 0.436 11 F N 2.198 122.063 119.950 -0.141 0.000 2.126 11 F HA -0.192 4.339 4.527 0.007 0.000 0.299 11 F C 2.164 177.853 175.800 -0.186 0.000 1.096 11 F CA 1.616 59.402 58.000 -0.356 0.000 1.255 11 F CB 0.052 38.697 39.000 -0.593 0.000 0.997 11 F HN -0.083 nan 8.300 nan 0.000 0.479 12 K N -0.085 120.342 120.400 0.045 0.000 2.025 12 K HA -0.179 4.145 4.320 0.007 0.000 0.207 12 K C 1.480 178.029 176.600 -0.085 0.000 1.049 12 K CA 1.779 58.066 56.287 0.001 0.000 0.933 12 K CB -0.430 32.103 32.500 0.054 0.000 0.714 12 K HN 0.399 nan 8.250 nan 0.000 0.438 13 D N -0.159 120.158 120.400 -0.139 0.000 2.355 13 D HA -0.080 4.564 4.640 0.007 0.000 0.218 13 D C 1.414 177.659 176.300 -0.091 0.000 1.004 13 D CA 0.350 54.280 54.000 -0.116 0.000 0.880 13 D CB 0.097 40.807 40.800 -0.150 0.000 0.911 13 D HN -0.018 nan 8.370 nan 0.000 0.528 14 L N 0.347 121.507 121.223 -0.105 0.000 2.253 14 L HA 0.383 4.727 4.340 0.007 0.000 0.205 14 L C 1.165 177.958 176.870 -0.129 0.000 1.078 14 L CA 1.337 56.132 54.840 -0.074 0.000 0.805 14 L CB -0.663 41.399 42.059 0.005 0.000 0.963 14 L HN 0.355 nan 8.230 nan 0.000 0.459 15 G N -0.415 108.226 108.800 -0.265 0.000 2.719 15 G HA2 -0.206 3.758 3.960 0.007 0.000 0.686 15 G HA3 -0.206 3.758 3.960 0.007 0.000 0.686 15 G C 0.496 175.118 174.900 -0.463 0.000 1.201 15 G CA 0.108 45.023 45.100 -0.308 0.000 0.768 15 G HN 0.223 nan 8.290 nan 0.000 0.629 16 E N 0.147 120.022 120.200 -0.543 0.000 2.070 16 E HA -0.210 4.144 4.350 0.007 0.000 0.197 16 E C 2.147 178.694 176.600 -0.087 0.000 1.004 16 E CA 1.832 57.968 56.400 -0.439 0.000 0.805 16 E CB -0.035 29.597 29.700 -0.114 0.000 0.744 16 E HN 0.573 nan 8.360 nan 0.000 0.451 17 E N 0.600 120.772 120.200 -0.046 0.000 2.058 17 E HA -0.192 4.163 4.350 0.007 0.000 0.194 17 E C 1.902 178.517 176.600 0.026 0.000 0.997 17 E CA 0.971 57.379 56.400 0.014 0.000 0.801 17 E CB -0.460 29.246 29.700 0.011 0.000 0.746 17 E HN 0.331 nan 8.360 nan 0.000 0.450 18 N N 0.395 119.095 118.700 -0.000 0.000 2.142 18 N HA -0.126 4.619 4.740 0.007 0.000 0.186 18 N C 1.732 177.263 175.510 0.036 0.000 1.023 18 N CA 0.542 53.598 53.050 0.010 0.000 0.852 18 N CB -0.575 37.908 38.487 -0.005 0.000 0.998 18 N HN 0.118 nan 8.380 nan 0.000 0.424 19 F N 2.297 122.172 119.950 -0.123 0.000 2.095 19 F HA -0.171 4.360 4.527 0.007 0.000 0.298 19 F C 2.103 177.912 175.800 0.014 0.000 1.104 19 F CA 1.567 59.521 58.000 -0.076 0.000 1.232 19 F CB -0.020 38.885 39.000 -0.159 0.000 0.987 19 F HN -0.080 nan 8.300 nan 0.000 0.475 20 K N -0.040 120.461 120.400 0.169 0.000 2.057 20 K HA -0.134 4.191 4.320 0.007 0.000 0.207 20 K C 2.302 178.916 176.600 0.023 0.000 1.049 20 K CA 1.240 57.594 56.287 0.112 0.000 0.931 20 K CB -0.553 32.045 32.500 0.163 0.000 0.714 20 K HN 0.359 nan 8.250 nan 0.000 0.440 21 A N 1.249 124.081 122.820 0.020 0.000 1.898 21 A HA -0.100 4.224 4.320 0.007 0.000 0.216 21 A C 2.102 179.667 177.584 -0.032 0.000 1.181 21 A CA 1.143 53.189 52.037 0.015 0.000 0.620 21 A CB -0.532 18.482 19.000 0.023 0.000 0.819 21 A HN 0.144 nan 8.150 nan 0.000 0.442 22 L N -0.613 120.555 121.223 -0.092 0.000 2.093 22 L HA -0.132 4.212 4.340 0.007 0.000 0.208 22 L C 2.493 179.249 176.870 -0.191 0.000 1.085 22 L CA 0.857 55.607 54.840 -0.149 0.000 0.755 22 L CB -0.456 41.491 42.059 -0.186 0.000 0.904 22 L HN 0.237 nan 8.230 nan 0.000 0.435 23 V N -0.074 119.690 119.914 -0.251 0.000 2.343 23 V HA -0.282 3.842 4.120 0.007 0.000 0.247 23 V C 2.377 178.495 176.094 0.040 0.000 1.051 23 V CA 1.577 63.755 62.300 -0.203 0.000 1.036 23 V CB -0.377 31.315 31.823 -0.219 0.000 0.654 23 V HN 0.327 nan 8.190 nan 0.000 0.451 24 L N 0.144 121.412 121.223 0.073 0.000 2.012 24 L HA -0.158 4.186 4.340 0.007 0.000 0.210 24 L C 2.184 179.117 176.870 0.104 0.000 1.073 24 L CA 1.979 56.905 54.840 0.144 0.000 0.748 24 L CB -0.531 41.594 42.059 0.109 0.000 0.891 24 L HN 0.227 nan 8.230 nan 0.000 0.431 25 I N -0.313 120.275 120.570 0.029 0.000 2.163 25 I HA -0.317 3.857 4.170 0.007 0.000 0.243 25 I C 2.620 178.743 176.117 0.009 0.000 1.085 25 I CA 1.266 62.565 61.300 -0.002 0.000 1.347 25 I CB -0.725 37.248 38.000 -0.045 0.000 1.044 25 I HN 0.393 nan 8.210 nan 0.000 0.408 26 A N 0.644 123.442 122.820 -0.036 0.000 1.908 26 A HA -0.213 4.111 4.320 0.007 0.000 0.218 26 A C 2.092 179.793 177.584 0.195 0.000 1.181 26 A CA 1.658 53.668 52.037 -0.044 0.000 0.627 26 A CB -0.901 17.890 19.000 -0.348 0.000 0.818 26 A HN 0.325 nan 8.150 nan 0.000 0.445 27 F N -0.018 120.083 119.950 0.252 0.000 2.163 27 F HA 0.018 4.549 4.527 0.007 0.000 0.297 27 F C 2.775 178.685 175.800 0.184 0.000 1.094 27 F CA 0.602 58.775 58.000 0.288 0.000 1.290 27 F CB -0.687 38.478 39.000 0.275 0.000 1.017 27 F HN 0.251 nan 8.300 nan 0.000 0.483 28 A N -0.505 122.383 122.820 0.115 0.000 1.972 28 A HA -0.213 4.111 4.320 0.007 0.000 0.219 28 A C 2.075 179.685 177.584 0.043 0.000 1.169 28 A CA 1.492 53.466 52.037 -0.105 0.000 0.635 28 A CB -0.707 18.214 19.000 -0.133 0.000 0.810 28 A HN 0.480 nan 8.150 nan 0.000 0.446 29 Q N -2.259 117.590 119.800 0.082 0.000 2.297 29 Q HA -0.095 4.249 4.340 0.007 0.000 0.204 29 Q C 1.418 177.395 176.000 -0.038 0.000 0.962 29 Q CA 1.246 57.047 55.803 -0.003 0.000 0.879 29 Q CB -0.121 28.578 28.738 -0.066 0.000 0.947 29 Q HN 0.882 nan 8.270 nan 0.000 0.462 30 Y N -0.722 119.637 120.300 0.100 0.000 2.353 30 Y HA 0.027 4.582 4.550 0.007 0.000 0.294 30 Y C 0.654 176.535 175.900 -0.031 0.000 1.135 30 Y CA 0.093 58.230 58.100 0.062 0.000 1.176 30 Y CB 0.698 39.205 38.460 0.078 0.000 1.124 30 Y HN -0.016 nan 8.280 nan 0.000 0.537 31 L N 1.766 123.127 121.223 0.229 0.000 2.657 31 L HA 0.201 4.545 4.340 0.007 0.000 0.239 31 L C 0.826 177.931 176.870 0.393 0.000 1.215 31 L CA 0.136 55.042 54.840 0.109 0.000 1.161 31 L CB -0.031 42.146 42.059 0.196 0.000 1.436 31 L HN 0.287 nan 8.230 nan 0.000 0.414 32 Q N -0.514 119.469 119.800 0.306 0.000 2.439 32 Q HA -0.149 4.196 4.340 0.007 0.000 0.211 32 Q C 1.040 177.218 176.000 0.296 0.000 0.978 32 Q CA 0.982 56.932 55.803 0.246 0.000 0.897 32 Q CB 0.243 29.072 28.738 0.153 0.000 0.956 32 Q HN 0.548 nan 8.270 nan 0.000 0.483 33 Q N -0.908 119.171 119.800 0.465 0.000 2.352 33 Q HA 0.085 4.429 4.340 0.007 0.000 0.212 33 Q C 0.329 176.486 176.000 0.262 0.000 0.888 33 Q CA 0.134 56.091 55.803 0.256 0.000 0.934 33 Q CB 0.588 29.304 28.738 -0.037 0.000 1.093 33 Q HN 0.292 nan 8.270 nan 0.000 0.523 34 C N 3.892 123.432 119.300 0.400 0.000 2.605 34 C HA 0.295 4.759 4.460 0.007 0.000 0.404 34 C C -1.673 173.494 174.990 0.294 0.000 1.284 34 C CA -0.992 58.151 59.018 0.209 0.000 2.199 34 C CB 0.601 28.316 27.740 -0.042 0.000 2.647 34 C HN 0.270 nan 8.230 nan 0.000 0.604 35 P HA 0.055 nan 4.420 nan 0.000 0.274 35 P C 0.618 177.908 177.300 -0.017 0.000 1.246 35 P CA -0.117 63.067 63.100 0.139 0.000 0.795 35 P CB 0.445 32.174 31.700 0.049 0.000 1.006 36 F N 2.112 121.810 119.950 -0.420 0.000 2.063 36 F HA -0.271 4.260 4.527 0.007 0.000 0.298 36 F C 1.857 177.474 175.800 -0.305 0.000 1.109 36 F CA 2.196 59.783 58.000 -0.688 0.000 1.212 36 F CB -0.869 37.748 39.000 -0.639 0.000 0.973 36 F HN 0.270 nan 8.300 nan 0.000 0.480 37 E N 0.321 120.353 120.200 -0.280 0.000 2.130 37 E HA -0.224 4.130 4.350 0.007 0.000 0.196 37 E C 1.750 178.161 176.600 -0.315 0.000 0.998 37 E CA 1.836 58.054 56.400 -0.302 0.000 0.806 37 E CB -0.700 28.922 29.700 -0.130 0.000 0.738 37 E HN 0.515 nan 8.360 nan 0.000 0.459 38 D N -0.629 119.599 120.400 -0.287 0.000 2.123 38 D HA -0.101 4.544 4.640 0.007 0.000 0.200 38 D C 1.750 177.815 176.300 -0.392 0.000 0.976 38 D CA 0.967 54.776 54.000 -0.317 0.000 0.831 38 D CB -0.068 40.538 40.800 -0.323 0.000 0.974 38 D HN 0.261 nan 8.370 nan 0.000 0.469 39 H N -0.051 118.828 119.070 -0.317 0.000 2.321 39 H HA -0.035 4.525 4.556 0.007 0.000 0.300 39 H C 2.301 177.424 175.328 -0.342 0.000 1.087 39 H CA 0.774 56.639 56.048 -0.304 0.000 1.319 39 H CB -0.461 29.187 29.762 -0.190 0.000 1.379 39 H HN 0.044 nan 8.280 nan 0.000 0.501 40 V N 1.286 120.969 119.914 -0.385 0.000 2.392 40 V HA -0.267 3.857 4.120 0.007 0.000 0.249 40 V C 2.606 178.571 176.094 -0.214 0.000 1.059 40 V CA 1.998 64.080 62.300 -0.363 0.000 1.051 40 V CB -0.440 31.052 31.823 -0.551 0.000 0.658 40 V HN 0.331 nan 8.190 nan 0.000 0.455 41 K N -0.259 120.003 120.400 -0.231 0.000 2.057 41 K HA -0.147 4.177 4.320 0.007 0.000 0.207 41 K C 2.142 178.647 176.600 -0.159 0.000 1.049 41 K CA 1.465 57.648 56.287 -0.173 0.000 0.931 41 K CB -0.185 32.206 32.500 -0.182 0.000 0.714 41 K HN 0.389 nan 8.250 nan 0.000 0.440 42 L N 0.400 121.481 121.223 -0.237 0.000 2.017 42 L HA -0.193 4.151 4.340 0.007 0.000 0.208 42 L C 2.363 179.187 176.870 -0.078 0.000 1.073 42 L CA 0.919 55.587 54.840 -0.288 0.000 0.745 42 L CB -0.396 41.235 42.059 -0.714 0.000 0.894 42 L HN 0.054 nan 8.230 nan 0.000 0.432 43 V N 0.286 120.196 119.914 -0.006 0.000 2.282 43 V HA -0.327 3.797 4.120 0.007 0.000 0.249 43 V C 2.265 178.436 176.094 0.128 0.000 1.057 43 V CA 2.040 64.413 62.300 0.122 0.000 1.032 43 V CB -0.748 31.130 31.823 0.091 0.000 0.645 43 V HN 0.515 nan 8.190 nan 0.000 0.447 44 N N 0.115 118.850 118.700 0.057 0.000 2.104 44 N HA -0.196 4.548 4.740 0.007 0.000 0.190 44 N C 1.824 177.387 175.510 0.088 0.000 1.024 44 N CA 1.711 54.802 53.050 0.068 0.000 0.853 44 N CB -0.303 38.192 38.487 0.014 0.000 1.008 44 N HN 0.641 nan 8.380 nan 0.000 0.424 45 E N 0.225 120.461 120.200 0.060 0.000 2.072 45 E HA -0.058 4.296 4.350 0.007 0.000 0.191 45 E C 2.008 178.707 176.600 0.165 0.000 0.985 45 E CA 0.636 57.080 56.400 0.073 0.000 0.801 45 E CB 0.057 29.760 29.700 0.006 0.000 0.750 45 E HN 0.063 nan 8.360 nan 0.000 0.452 46 V N 1.212 121.256 119.914 0.216 0.000 2.358 46 V HA -0.227 3.897 4.120 0.007 0.000 0.246 46 V C 2.276 178.644 176.094 0.455 0.000 1.047 46 V CA 2.086 64.598 62.300 0.353 0.000 1.035 46 V CB -0.561 31.494 31.823 0.387 0.000 0.658 46 V HN 0.334 nan 8.190 nan 0.000 0.452 47 T N -0.677 114.130 114.554 0.422 0.000 2.746 47 T HA -0.205 4.149 4.350 0.007 0.000 0.267 47 T C 1.917 176.692 174.700 0.124 0.000 1.039 47 T CA 1.682 64.029 62.100 0.412 0.000 1.142 47 T CB -0.203 68.908 68.868 0.406 0.000 0.866 47 T HN 0.409 nan 8.240 nan 0.000 0.444 48 E N 0.815 121.088 120.200 0.123 0.000 2.058 48 E HA -0.105 4.249 4.350 0.007 0.000 0.194 48 E C 1.725 178.335 176.600 0.016 0.000 0.997 48 E CA 1.012 57.438 56.400 0.042 0.000 0.801 48 E CB -0.538 29.201 29.700 0.064 0.000 0.746 48 E HN 0.499 nan 8.360 nan 0.000 0.450 49 F N 0.678 120.614 119.950 -0.024 0.000 2.102 49 F HA -0.149 4.383 4.527 0.007 0.000 0.298 49 F C 2.040 177.774 175.800 -0.111 0.000 1.105 49 F CA 1.855 59.832 58.000 -0.038 0.000 1.239 49 F CB -0.874 38.137 39.000 0.019 0.000 0.991 49 F HN 0.077 nan 8.300 nan 0.000 0.474 50 A N 0.488 123.152 122.820 -0.261 0.000 1.917 50 A HA -0.277 4.047 4.320 0.007 0.000 0.219 50 A C 2.272 179.364 177.584 -0.820 0.000 1.182 50 A CA 2.209 53.903 52.037 -0.572 0.000 0.633 50 A CB -0.858 17.803 19.000 -0.565 0.000 0.819 50 A HN 0.521 nan 8.150 nan 0.000 0.448 51 K N -1.101 118.848 120.400 -0.752 0.000 2.147 51 K HA -0.085 4.239 4.320 0.007 0.000 0.205 51 K C 2.045 178.386 176.600 -0.432 0.000 1.049 51 K CA 1.593 57.487 56.287 -0.656 0.000 0.936 51 K CB -0.303 31.944 32.500 -0.422 0.000 0.722 51 K HN 0.511 nan 8.250 nan 0.000 0.446 52 T N 0.553 114.872 114.554 -0.391 0.000 2.777 52 T HA -0.149 4.205 4.350 0.007 0.000 0.266 52 T C 2.023 176.519 174.700 -0.340 0.000 1.040 52 T CA 1.183 63.102 62.100 -0.302 0.000 1.141 52 T CB -0.308 68.407 68.868 -0.254 0.000 0.868 52 T HN 0.324 nan 8.240 nan 0.000 0.444 53 c N 1.001 119.304 118.600 -0.494 0.000 2.446 53 c HA 0.072 4.646 4.570 0.007 0.000 0.279 53 c C 2.814 176.718 174.090 -0.309 0.000 1.366 53 c CA -0.180 55.903 56.329 -0.410 0.000 1.763 53 c CB -1.172 41.031 42.510 -0.512 0.000 1.929 53 c HN 0.340 nan 8.230 nan 0.000 0.509 54 V N 1.555 121.259 119.914 -0.351 0.000 2.307 54 V HA -0.194 3.930 4.120 0.007 0.000 0.245 54 V C 2.750 178.738 176.094 -0.177 0.000 1.045 54 V CA 2.259 64.405 62.300 -0.256 0.000 1.024 54 V CB -1.165 30.468 31.823 -0.316 0.000 0.651 54 V HN 0.575 nan 8.190 nan 0.000 0.449 55 A N -0.572 122.139 122.820 -0.182 0.000 1.972 55 A HA -0.127 4.197 4.320 0.007 0.000 0.219 55 A C 1.117 178.639 177.584 -0.104 0.000 1.169 55 A CA 1.832 53.795 52.037 -0.123 0.000 0.635 55 A CB -0.174 18.756 19.000 -0.117 0.000 0.810 55 A HN 0.617 nan 8.150 nan 0.000 0.446 56 D N -1.944 118.380 120.400 -0.127 0.000 2.354 56 D HA 0.207 4.851 4.640 0.007 0.000 0.230 56 D C 0.060 176.288 176.300 -0.121 0.000 1.361 56 D CA -0.401 53.538 54.000 -0.102 0.000 0.992 56 D CB 0.449 41.202 40.800 -0.078 0.000 1.409 56 D HN 0.172 nan 8.370 nan 0.000 0.573 57 E N 1.015 121.142 120.200 -0.122 0.000 2.455 57 E HA -0.074 4.280 4.350 0.007 0.000 0.202 57 E C 0.616 177.165 176.600 -0.085 0.000 1.045 57 E CA 0.607 56.928 56.400 -0.132 0.000 0.872 57 E CB 0.267 29.872 29.700 -0.158 0.000 0.792 57 E HN 0.258 nan 8.360 nan 0.000 0.542 58 S N 0.038 115.699 115.700 -0.064 0.000 2.540 58 S HA 0.202 4.676 4.470 0.007 0.000 0.218 58 S C 0.501 175.086 174.600 -0.025 0.000 0.977 58 S CA -0.223 57.956 58.200 -0.034 0.000 0.918 58 S CB 0.615 63.801 63.200 -0.024 0.000 0.806 58 S HN 0.273 nan 8.310 nan 0.000 0.496 59 A N 2.068 124.860 122.820 -0.045 0.000 2.507 59 A HA 0.165 4.489 4.320 0.007 0.000 0.235 59 A C 0.294 177.891 177.584 0.021 0.000 1.070 59 A CA -0.109 51.912 52.037 -0.027 0.000 0.768 59 A CB 0.079 19.038 19.000 -0.068 0.000 1.011 59 A HN 0.470 nan 8.150 nan 0.000 0.502 60 E N 1.251 121.484 120.200 0.054 0.000 2.452 60 E HA -0.002 4.352 4.350 0.007 0.000 0.261 60 E C 0.197 176.909 176.600 0.187 0.000 0.987 60 E CA 0.337 56.791 56.400 0.091 0.000 0.926 60 E CB 0.125 29.869 29.700 0.074 0.000 0.934 60 E HN 0.673 nan 8.360 nan 0.000 0.452 61 N N 0.450 119.248 118.700 0.163 0.000 2.961 61 N HA -0.222 4.522 4.740 0.007 0.000 0.223 61 N C 0.721 176.442 175.510 0.351 0.000 0.866 61 N CA 1.236 54.416 53.050 0.216 0.000 1.030 61 N CB -1.787 36.799 38.487 0.165 0.000 1.037 61 N HN 0.542 nan 8.380 nan 0.000 0.608 62 c N 1.225 119.987 118.600 0.270 0.000 2.430 62 c HA -0.113 4.461 4.570 0.007 0.000 0.288 62 c C 2.062 176.217 174.090 0.108 0.000 1.448 62 c CA 1.227 57.640 56.329 0.140 0.000 1.784 62 c CB -1.287 41.185 42.510 -0.062 0.000 1.776 62 c HN 0.629 nan 8.230 nan 0.000 0.547 63 D N -0.327 120.136 120.400 0.105 0.000 2.333 63 D HA -0.027 4.618 4.640 0.007 0.000 0.208 63 D C 0.691 177.050 176.300 0.099 0.000 0.984 63 D CA 0.419 54.466 54.000 0.078 0.000 0.873 63 D CB -0.173 40.661 40.800 0.058 0.000 0.935 63 D HN 0.124 nan 8.370 nan 0.000 0.521 64 K N 1.477 121.953 120.400 0.127 0.000 2.436 64 K HA 0.132 4.456 4.320 0.007 0.000 0.275 64 K C 0.714 177.396 176.600 0.137 0.000 0.999 64 K CA -0.046 56.313 56.287 0.120 0.000 0.980 64 K CB 0.895 33.461 32.500 0.110 0.000 0.919 64 K HN 0.353 nan 8.250 nan 0.000 0.484 65 S N 1.747 117.525 115.700 0.131 0.000 2.596 65 S HA 0.107 4.581 4.470 0.007 0.000 0.260 65 S C 1.601 176.293 174.600 0.154 0.000 1.336 65 S CA -0.550 57.740 58.200 0.150 0.000 0.993 65 S CB 0.394 63.698 63.200 0.173 0.000 0.923 65 S HN 0.516 nan 8.310 nan 0.000 0.567 66 L N 0.331 121.632 121.223 0.130 0.000 2.093 66 L HA -0.071 4.273 4.340 0.007 0.000 0.208 66 L C 2.578 179.469 176.870 0.034 0.000 1.085 66 L CA 1.481 56.360 54.840 0.065 0.000 0.755 66 L CB -0.811 41.232 42.059 -0.027 0.000 0.904 66 L HN 0.800 nan 8.230 nan 0.000 0.435 67 H N -0.876 118.251 119.070 0.095 0.000 2.321 67 H HA -0.153 4.407 4.556 0.007 0.000 0.300 67 H C 2.362 177.772 175.328 0.138 0.000 1.087 67 H CA 2.086 58.202 56.048 0.114 0.000 1.319 67 H CB -0.295 29.527 29.762 0.100 0.000 1.379 67 H HN 0.173 nan 8.280 nan 0.000 0.501 68 T N 0.805 115.500 114.554 0.235 0.000 2.684 68 T HA -0.150 4.204 4.350 0.007 0.000 0.267 68 T C 2.183 176.945 174.700 0.104 0.000 1.036 68 T CA 1.311 63.503 62.100 0.153 0.000 1.148 68 T CB -0.377 68.562 68.868 0.118 0.000 0.863 68 T HN 0.173 nan 8.240 nan 0.000 0.436 69 L N -0.309 120.973 121.223 0.098 0.000 2.046 69 L HA -0.052 4.292 4.340 0.007 0.000 0.208 69 L C 2.319 179.218 176.870 0.049 0.000 1.077 69 L CA 1.350 56.215 54.840 0.042 0.000 0.747 69 L CB -0.558 41.546 42.059 0.074 0.000 0.896 69 L HN 0.194 nan 8.230 nan 0.000 0.432 70 F N 0.957 120.861 119.950 -0.078 0.000 2.102 70 F HA -0.135 4.397 4.527 0.007 0.000 0.298 70 F C 2.240 177.945 175.800 -0.159 0.000 1.105 70 F CA 1.551 59.446 58.000 -0.176 0.000 1.239 70 F CB -0.714 38.101 39.000 -0.307 0.000 0.991 70 F HN -0.024 nan 8.300 nan 0.000 0.474 71 G N -0.316 108.446 108.800 -0.064 0.000 2.418 71 G HA2 -0.256 3.708 3.960 0.007 0.000 0.217 71 G HA3 -0.256 3.708 3.960 0.007 0.000 0.217 71 G C 1.393 176.246 174.900 -0.078 0.000 1.158 71 G CA 1.019 46.073 45.100 -0.076 0.000 0.771 71 G HN 0.332 nan 8.290 nan 0.000 0.545 72 D N 0.418 120.793 120.400 -0.042 0.000 2.144 72 D HA -0.056 4.588 4.640 0.007 0.000 0.199 72 D C 2.382 178.622 176.300 -0.100 0.000 0.984 72 D CA 0.697 54.669 54.000 -0.047 0.000 0.834 72 D CB -0.040 40.731 40.800 -0.048 0.000 0.955 72 D HN 0.102 nan 8.370 nan 0.000 0.465 73 K N 0.391 120.707 120.400 -0.141 0.000 2.155 73 K HA -0.037 4.287 4.320 0.007 0.000 0.203 73 K C 2.068 178.546 176.600 -0.203 0.000 1.052 73 K CA 0.077 56.279 56.287 -0.141 0.000 0.948 73 K CB -0.405 32.072 32.500 -0.038 0.000 0.728 73 K HN 0.119 nan 8.250 nan 0.000 0.448 74 L N 0.706 121.739 121.223 -0.317 0.000 2.056 74 L HA -0.163 4.181 4.340 0.007 0.000 0.207 74 L C 2.015 178.765 176.870 -0.200 0.000 1.078 74 L CA 1.468 56.073 54.840 -0.391 0.000 0.749 74 L CB -0.587 40.966 42.059 -0.843 0.000 0.901 74 L HN 0.095 nan 8.230 nan 0.000 0.433 75 c N -1.303 117.243 118.600 -0.090 0.000 2.511 75 c HA -0.008 4.566 4.570 0.007 0.000 0.277 75 c C 2.390 176.467 174.090 -0.022 0.000 1.451 75 c CA 0.852 57.194 56.329 0.022 0.000 1.735 75 c CB -1.537 41.026 42.510 0.088 0.000 1.704 75 c HN 0.523 nan 8.230 nan 0.000 0.571 76 T N 0.195 114.705 114.554 -0.074 0.000 3.054 76 T HA 0.023 4.377 4.350 0.007 0.000 0.259 76 T C 0.841 175.493 174.700 -0.081 0.000 1.092 76 T CA 0.455 62.508 62.100 -0.079 0.000 1.121 76 T CB 0.032 68.835 68.868 -0.107 0.000 0.912 76 T HN 0.222 nan 8.240 nan 0.000 0.489 77 V N 2.923 122.780 119.914 -0.095 0.000 2.452 77 V HA 0.065 4.190 4.120 0.007 0.000 0.286 77 V C 1.664 177.740 176.094 -0.029 0.000 0.995 77 V CA 0.048 62.300 62.300 -0.080 0.000 1.116 77 V CB -0.099 31.682 31.823 -0.070 0.000 0.954 77 V HN 0.461 nan 8.190 nan 0.000 0.473 78 A N 4.899 127.697 122.820 -0.037 0.000 1.933 78 A HA -0.137 4.187 4.320 0.007 0.000 0.218 78 A C 2.105 179.689 177.584 -0.001 0.000 1.175 78 A CA 2.063 54.088 52.037 -0.021 0.000 0.628 78 A CB -0.493 18.488 19.000 -0.032 0.000 0.814 78 A HN 0.935 nan 8.150 nan 0.000 0.444 79 T N -2.646 111.913 114.554 0.008 0.000 3.169 79 T HA 0.182 4.537 4.350 0.007 0.000 0.250 79 T C 1.399 176.144 174.700 0.075 0.000 1.111 79 T CA 0.533 62.644 62.100 0.019 0.000 1.010 79 T CB -0.181 68.685 68.868 -0.004 0.000 0.984 79 T HN 0.098 nan 8.240 nan 0.000 0.537 80 L N 1.824 123.117 121.223 0.117 0.000 2.064 80 L HA -0.135 4.210 4.340 0.007 0.000 0.216 80 L C 2.707 179.697 176.870 0.199 0.000 1.077 80 L CA 1.993 56.965 54.840 0.219 0.000 0.766 80 L CB -0.562 41.579 42.059 0.137 0.000 0.890 80 L HN 0.331 nan 8.230 nan 0.000 0.435 81 R N -0.731 119.827 120.500 0.098 0.000 2.057 81 R HA -0.095 4.250 4.340 0.007 0.000 0.229 81 R C 2.259 178.578 176.300 0.032 0.000 1.136 81 R CA 1.611 57.748 56.100 0.062 0.000 0.952 81 R CB -0.494 29.824 30.300 0.031 0.000 0.848 81 R HN 0.424 nan 8.270 nan 0.000 0.430 82 E N -0.262 119.943 120.200 0.008 0.000 2.204 82 E HA -0.107 4.247 4.350 0.007 0.000 0.195 82 E C 1.740 178.299 176.600 -0.069 0.000 0.990 82 E CA 1.750 58.135 56.400 -0.024 0.000 0.821 82 E CB -0.769 28.915 29.700 -0.027 0.000 0.750 82 E HN 0.640 nan 8.360 nan 0.000 0.477 83 T N -1.168 113.321 114.554 -0.109 0.000 3.004 83 T HA 0.121 4.475 4.350 0.007 0.000 0.243 83 T C 1.350 175.789 174.700 -0.436 0.000 1.020 83 T CA 1.009 62.913 62.100 -0.327 0.000 1.145 83 T CB -0.154 68.390 68.868 -0.541 0.000 0.876 83 T HN 0.560 nan 8.240 nan 0.000 0.449 84 Y N 0.948 121.266 120.300 0.031 0.000 2.444 84 Y HA 0.422 4.976 4.550 0.007 0.000 0.249 84 Y C 2.048 177.957 175.900 0.015 0.000 1.134 84 Y CA -0.379 57.746 58.100 0.042 0.000 1.261 84 Y CB -0.343 38.163 38.460 0.076 0.000 1.143 84 Y HN 0.355 nan 8.280 nan 0.000 0.523 85 G N 1.203 110.067 108.800 0.106 0.000 2.698 85 G HA2 -0.544 3.420 3.960 0.007 0.000 0.337 85 G HA3 -0.544 3.420 3.960 0.007 0.000 0.337 85 G C 1.375 176.285 174.900 0.017 0.000 1.196 85 G CA 1.184 46.312 45.100 0.047 0.000 0.965 85 G HN 0.400 nan 8.290 nan 0.000 0.550 86 E N 0.042 120.226 120.200 -0.028 0.000 2.187 86 E HA -0.190 4.164 4.350 0.007 0.000 0.199 86 E C 2.574 179.019 176.600 -0.258 0.000 1.004 86 E CA 1.698 58.020 56.400 -0.131 0.000 0.813 86 E CB -0.204 29.407 29.700 -0.148 0.000 0.736 86 E HN 0.569 nan 8.360 nan 0.000 0.468 87 M N -0.203 119.292 119.600 -0.176 0.000 2.213 87 M HA -0.157 4.327 4.480 0.007 0.000 0.263 87 M C 2.108 178.396 176.300 -0.021 0.000 1.062 87 M CA 1.496 56.719 55.300 -0.129 0.000 1.105 87 M CB -0.029 32.649 32.600 0.131 0.000 1.385 87 M HN 0.196 nan 8.290 nan 0.000 0.417 88 A N 0.162 123.001 122.820 0.032 0.000 2.019 88 A HA -0.184 4.140 4.320 0.007 0.000 0.219 88 A C 1.504 179.075 177.584 -0.023 0.000 1.164 88 A CA 1.870 53.937 52.037 0.049 0.000 0.644 88 A CB -0.711 18.323 19.000 0.057 0.000 0.805 88 A HN 0.554 nan 8.150 nan 0.000 0.449 89 D N -0.796 119.558 120.400 -0.078 0.000 2.348 89 D HA -0.055 4.589 4.640 0.007 0.000 0.216 89 D C 1.654 177.873 176.300 -0.134 0.000 0.970 89 D CA 0.646 54.594 54.000 -0.087 0.000 0.889 89 D CB -0.401 40.350 40.800 -0.081 0.000 0.912 89 D HN 0.459 nan 8.370 nan 0.000 0.524 90 c N 0.215 118.675 118.600 -0.232 0.000 2.432 90 c HA -0.107 4.467 4.570 0.007 0.000 0.280 90 c C 2.763 176.646 174.090 -0.345 0.000 1.353 90 c CA 0.025 56.106 56.329 -0.413 0.000 1.766 90 c CB -0.938 41.004 42.510 -0.947 0.000 1.924 90 c HN 0.450 nan 8.230 nan 0.000 0.509 91 c N 0.807 119.307 118.600 -0.168 0.000 2.449 91 c HA 0.060 4.634 4.570 0.007 0.000 0.283 91 c C 2.634 176.709 174.090 -0.025 0.000 1.453 91 c CA 0.904 57.217 56.329 -0.027 0.000 1.779 91 c CB -1.674 40.870 42.510 0.057 0.000 1.779 91 c HN 0.709 nan 8.230 nan 0.000 0.546 92 A N -0.166 122.626 122.820 -0.047 0.000 2.278 92 A HA 0.131 4.455 4.320 0.007 0.000 0.212 92 A C 0.768 178.336 177.584 -0.028 0.000 1.213 92 A CA 0.397 52.417 52.037 -0.028 0.000 0.840 92 A CB -0.104 18.880 19.000 -0.027 0.000 0.866 92 A HN 0.658 nan 8.150 nan 0.000 0.489 93 K N 0.272 120.647 120.400 -0.043 0.000 2.139 93 K HA 0.394 4.718 4.320 0.007 0.000 0.243 93 K C -0.471 176.124 176.600 -0.008 0.000 0.983 93 K CA -0.856 55.413 56.287 -0.030 0.000 0.890 93 K CB 0.621 33.091 32.500 -0.050 0.000 1.090 93 K HN 0.134 nan 8.250 nan 0.000 0.445 94 Q N 1.821 121.622 119.800 0.002 0.000 2.314 94 Q HA -0.038 4.306 4.340 0.007 0.000 0.258 94 Q C 0.751 176.767 176.000 0.027 0.000 0.954 94 Q CA 0.262 56.074 55.803 0.016 0.000 0.890 94 Q CB 1.435 30.181 28.738 0.013 0.000 1.210 94 Q HN 0.620 nan 8.270 nan 0.000 0.410 95 E N 4.906 125.134 120.200 0.047 0.000 2.132 95 E HA -0.243 4.111 4.350 0.007 0.000 0.218 95 E C -0.969 175.667 176.600 0.061 0.000 1.058 95 E CA 2.690 59.135 56.400 0.075 0.000 0.882 95 E CB -1.104 28.649 29.700 0.088 0.000 0.774 95 E HN 0.538 nan 8.360 nan 0.000 0.467 96 P HA -0.207 nan 4.420 nan 0.000 0.216 96 P C 1.001 178.316 177.300 0.025 0.000 1.167 96 P CA 2.307 65.414 63.100 0.012 0.000 0.933 96 P CB -0.171 31.532 31.700 0.004 0.000 0.793 97 E N -0.760 119.452 120.200 0.021 0.000 2.150 97 E HA -0.120 4.234 4.350 0.007 0.000 0.193 97 E C 2.334 178.941 176.600 0.011 0.000 0.985 97 E CA 0.712 57.122 56.400 0.017 0.000 0.814 97 E CB -0.815 28.887 29.700 0.003 0.000 0.752 97 E HN 0.245 nan 8.360 nan 0.000 0.466 98 R N 0.720 121.226 120.500 0.010 0.000 2.083 98 R HA -0.212 4.132 4.340 0.007 0.000 0.237 98 R C 2.036 178.372 176.300 0.059 0.000 1.137 98 R CA 1.915 57.993 56.100 -0.036 0.000 0.951 98 R CB -0.265 30.057 30.300 0.036 0.000 0.851 98 R HN 0.148 nan 8.270 nan 0.000 0.434 99 N N 0.081 118.913 118.700 0.221 0.000 2.166 99 N HA -0.200 4.544 4.740 0.007 0.000 0.186 99 N C 1.622 177.302 175.510 0.284 0.000 1.019 99 N CA 1.522 54.793 53.050 0.367 0.000 0.856 99 N CB -0.049 38.624 38.487 0.310 0.000 0.993 99 N HN 0.211 nan 8.380 nan 0.000 0.426 100 E N -0.019 120.278 120.200 0.162 0.000 2.077 100 E HA -0.128 4.226 4.350 0.007 0.000 0.193 100 E C 2.062 178.723 176.600 0.102 0.000 0.989 100 E CA 0.793 57.274 56.400 0.135 0.000 0.800 100 E CB -0.914 28.850 29.700 0.106 0.000 0.746 100 E HN 0.467 nan 8.360 nan 0.000 0.452 101 c N -0.396 118.235 118.600 0.052 0.000 2.432 101 c HA -0.137 4.437 4.570 0.007 0.000 0.277 101 c C 2.428 176.614 174.090 0.159 0.000 1.249 101 c CA 0.857 57.205 56.329 0.033 0.000 1.725 101 c CB -1.527 40.934 42.510 -0.082 0.000 2.028 101 c HN 0.461 nan 8.230 nan 0.000 0.477 102 F N 0.474 120.571 119.950 0.245 0.000 2.161 102 F HA -0.048 4.483 4.527 0.007 0.000 0.300 102 F C 2.100 178.067 175.800 0.278 0.000 1.089 102 F CA 1.296 59.480 58.000 0.307 0.000 1.282 102 F CB -1.120 38.068 39.000 0.313 0.000 1.010 102 F HN 0.143 nan 8.300 nan 0.000 0.485 103 L N 0.152 121.603 121.223 0.380 0.000 2.017 103 L HA -0.225 4.119 4.340 0.007 0.000 0.208 103 L C 2.347 179.229 176.870 0.020 0.000 1.073 103 L CA 1.803 56.738 54.840 0.158 0.000 0.745 103 L CB -1.172 40.904 42.059 0.028 0.000 0.894 103 L HN 0.200 nan 8.230 nan 0.000 0.432 104 Q N -1.387 118.378 119.800 -0.058 0.000 2.181 104 Q HA -0.202 4.142 4.340 0.007 0.000 0.205 104 Q C 1.243 177.047 176.000 -0.327 0.000 0.980 104 Q CA 1.426 57.090 55.803 -0.233 0.000 0.862 104 Q CB -0.212 28.295 28.738 -0.385 0.000 0.905 104 Q HN 0.629 nan 8.270 nan 0.000 0.429 105 H N -0.124 119.009 119.070 0.104 0.000 2.517 105 H HA 0.213 4.773 4.556 0.007 0.000 0.282 105 H C -0.091 175.300 175.328 0.106 0.000 1.023 105 H CA 0.066 56.180 56.048 0.111 0.000 1.169 105 H CB 0.153 29.998 29.762 0.138 0.000 1.454 105 H HN 0.066 nan 8.280 nan 0.000 0.556 106 K N 2.139 122.604 120.400 0.107 0.000 2.379 106 K HA -0.012 4.312 4.320 0.007 0.000 0.284 106 K C -0.320 176.308 176.600 0.047 0.000 1.044 106 K CA -0.287 56.018 56.287 0.030 0.000 0.974 106 K CB 0.578 33.019 32.500 -0.099 0.000 0.962 106 K HN 0.007 nan 8.250 nan 0.000 0.474 107 D N 3.151 123.592 120.400 0.069 0.000 2.280 107 D HA 0.095 4.740 4.640 0.007 0.000 0.243 107 D C 0.673 177.004 176.300 0.053 0.000 1.129 107 D CA 0.076 54.117 54.000 0.069 0.000 0.848 107 D CB 1.427 42.284 40.800 0.095 0.000 1.107 107 D HN 0.722 nan 8.370 nan 0.000 0.471 108 D N 2.482 122.908 120.400 0.043 0.000 2.162 108 D HA -0.048 4.597 4.640 0.007 0.000 0.205 108 D C 0.968 177.290 176.300 0.036 0.000 0.964 108 D CA 0.907 54.941 54.000 0.057 0.000 0.847 108 D CB -0.638 40.163 40.800 0.002 0.000 0.988 108 D HN 0.551 nan 8.370 nan 0.000 0.480 109 N N 1.571 120.275 118.700 0.008 0.000 2.976 109 N HA 0.517 5.261 4.740 0.007 0.000 0.255 109 N C -2.422 173.087 175.510 -0.001 0.000 1.312 109 N CA -1.046 51.999 53.050 -0.009 0.000 0.897 109 N CB 0.716 39.191 38.487 -0.019 0.000 1.184 109 N HN 0.378 nan 8.380 nan 0.000 0.497 110 P HA 0.221 nan 4.420 nan 0.000 0.275 110 P C -0.828 176.468 177.300 -0.007 0.000 1.266 110 P CA -0.239 62.865 63.100 0.007 0.000 0.793 110 P CB 1.056 32.763 31.700 0.011 0.000 1.074 111 N N -0.110 118.589 118.700 -0.000 0.000 3.114 111 N HA 0.304 5.048 4.740 0.007 0.000 0.289 111 N C -0.533 174.972 175.510 -0.009 0.000 1.519 111 N CA -0.295 52.751 53.050 -0.006 0.000 1.026 111 N CB -0.003 38.483 38.487 -0.002 0.000 1.306 111 N HN 0.227 nan 8.380 nan 0.000 0.495 112 L N 0.979 122.191 121.223 -0.019 0.000 2.334 112 L HA 0.583 4.927 4.340 0.007 0.000 0.275 112 L C -1.812 175.047 176.870 -0.019 0.000 1.036 112 L CA -1.998 52.829 54.840 -0.021 0.000 0.807 112 L CB 0.775 42.811 42.059 -0.039 0.000 1.231 112 L HN 0.095 nan 8.230 nan 0.000 0.438 113 P HA 0.074 nan 4.420 nan 0.000 0.267 113 P C -1.011 176.285 177.300 -0.006 0.000 1.200 113 P CA -0.382 62.714 63.100 -0.006 0.000 0.772 113 P CB 0.326 32.026 31.700 -0.001 0.000 0.855 114 R N 1.557 122.057 120.500 0.001 0.000 2.679 114 R HA 0.280 4.624 4.340 0.007 0.000 0.268 114 R C -0.386 175.924 176.300 0.017 0.000 1.044 114 R CA -0.689 55.415 56.100 0.008 0.000 1.105 114 R CB -0.147 30.162 30.300 0.014 0.000 0.989 114 R HN 0.209 nan 8.270 nan 0.000 0.447 115 L N 3.313 124.551 121.223 0.026 0.000 2.313 115 L HA 0.178 4.522 4.340 0.007 0.000 0.282 115 L C -0.435 176.469 176.870 0.056 0.000 1.092 115 L CA -0.260 54.608 54.840 0.047 0.000 0.831 115 L CB 1.476 43.569 42.059 0.057 0.000 1.159 115 L HN 0.632 nan 8.230 nan 0.000 0.442 116 V N 3.641 123.595 119.914 0.067 0.000 2.427 116 V HA 0.552 4.676 4.120 0.007 0.000 0.286 116 V C 0.255 176.400 176.094 0.084 0.000 1.034 116 V CA -0.962 61.377 62.300 0.064 0.000 0.893 116 V CB 1.242 33.097 31.823 0.054 0.000 0.982 116 V HN 0.826 nan 8.190 nan 0.000 0.452 117 R N 6.360 126.898 120.500 0.063 0.000 2.343 117 R HA 0.366 4.710 4.340 0.007 0.000 0.326 117 R C -1.915 174.434 176.300 0.081 0.000 1.055 117 R CA -1.153 54.984 56.100 0.062 0.000 0.961 117 R CB 0.518 30.845 30.300 0.044 0.000 0.978 117 R HN 0.824 nan 8.270 nan 0.000 0.443 118 P HA 0.026 nan 4.420 nan 0.000 0.275 118 P C -0.768 176.592 177.300 0.099 0.000 1.266 118 P CA -0.403 62.767 63.100 0.117 0.000 0.793 118 P CB 0.530 32.329 31.700 0.166 0.000 1.074 119 E N -0.564 119.686 120.200 0.084 0.000 2.415 119 E HA -0.002 4.353 4.350 0.007 0.000 0.262 119 E C 0.922 177.569 176.600 0.079 0.000 1.038 119 E CA 0.001 56.441 56.400 0.067 0.000 0.921 119 E CB 0.194 29.927 29.700 0.054 0.000 0.950 119 E HN 0.127 nan 8.360 nan 0.000 0.438 120 V N 3.658 123.608 119.914 0.059 0.000 2.324 120 V HA -0.316 3.808 4.120 0.007 0.000 0.250 120 V C 1.301 177.435 176.094 0.066 0.000 1.060 120 V CA 2.528 64.862 62.300 0.056 0.000 1.042 120 V CB -0.661 31.172 31.823 0.017 0.000 0.650 120 V HN 0.740 nan 8.190 nan 0.000 0.450 121 D N -0.212 120.221 120.400 0.056 0.000 2.224 121 D HA -0.115 4.530 4.640 0.007 0.000 0.205 121 D C 2.069 178.407 176.300 0.063 0.000 0.965 121 D CA 1.359 55.394 54.000 0.059 0.000 0.852 121 D CB -0.121 40.708 40.800 0.048 0.000 0.947 121 D HN 0.500 nan 8.370 nan 0.000 0.494 122 V N -1.619 118.337 119.914 0.070 0.000 2.453 122 V HA -0.178 3.946 4.120 0.007 0.000 0.247 122 V C 1.976 178.110 176.094 0.066 0.000 1.048 122 V CA 1.044 63.388 62.300 0.073 0.000 1.049 122 V CB -0.567 31.309 31.823 0.090 0.000 0.672 122 V HN 0.113 nan 8.190 nan 0.000 0.457 123 M N -0.100 119.559 119.600 0.099 0.000 2.067 123 M HA -0.153 4.331 4.480 0.007 0.000 0.260 123 M C 2.491 178.694 176.300 -0.163 0.000 1.069 123 M CA 2.480 57.817 55.300 0.061 0.000 1.117 123 M CB -0.756 32.029 32.600 0.310 0.000 1.334 123 M HN 0.509 nan 8.290 nan 0.000 0.407 124 c N 0.123 118.727 118.600 0.007 0.000 2.413 124 c HA -0.145 4.429 4.570 0.007 0.000 0.276 124 c C 2.909 177.005 174.090 0.009 0.000 1.248 124 c CA 1.458 57.786 56.329 -0.001 0.000 1.742 124 c CB -1.083 41.478 42.510 0.085 0.000 2.017 124 c HN 0.583 nan 8.230 nan 0.000 0.481 125 T N 0.893 115.478 114.554 0.051 0.000 2.746 125 T HA -0.116 4.238 4.350 0.007 0.000 0.267 125 T C 2.096 176.793 174.700 -0.006 0.000 1.039 125 T CA 1.641 63.790 62.100 0.081 0.000 1.142 125 T CB -0.403 68.502 68.868 0.061 0.000 0.866 125 T HN 0.644 nan 8.240 nan 0.000 0.444 126 A N 1.029 123.784 122.820 -0.108 0.000 1.902 126 A HA -0.043 4.281 4.320 0.007 0.000 0.217 126 A C 2.010 179.394 177.584 -0.334 0.000 1.181 126 A CA 1.398 53.337 52.037 -0.163 0.000 0.623 126 A CB -0.993 17.943 19.000 -0.106 0.000 0.818 126 A HN 0.484 nan 8.150 nan 0.000 0.443 127 F N 0.434 119.882 119.950 -0.838 0.000 2.095 127 F HA -0.229 4.302 4.527 0.007 0.000 0.298 127 F C 2.465 178.045 175.800 -0.368 0.000 1.104 127 F CA 2.249 59.760 58.000 -0.816 0.000 1.232 127 F CB -0.343 38.108 39.000 -0.914 0.000 0.987 127 F HN 0.372 nan 8.300 nan 0.000 0.475 128 H N -0.364 118.611 119.070 -0.158 0.000 2.389 128 H HA -0.093 4.467 4.556 0.007 0.000 0.299 128 H C 1.783 177.015 175.328 -0.161 0.000 1.081 128 H CA 1.615 57.566 56.048 -0.162 0.000 1.345 128 H CB -0.542 29.208 29.762 -0.020 0.000 1.393 128 H HN 0.288 nan 8.280 nan 0.000 0.520 129 D N 0.138 120.539 120.400 0.001 0.000 2.224 129 D HA -0.073 4.571 4.640 0.007 0.000 0.205 129 D C 0.354 176.629 176.300 -0.041 0.000 0.965 129 D CA 0.936 54.929 54.000 -0.012 0.000 0.852 129 D CB 0.164 40.966 40.800 0.003 0.000 0.947 129 D HN 0.156 nan 8.370 nan 0.000 0.494 130 N N -0.135 118.515 118.700 -0.082 0.000 3.153 130 N HA -0.054 4.690 4.740 0.007 0.000 0.208 130 N C 0.190 175.653 175.510 -0.079 0.000 1.462 130 N CA -0.059 52.958 53.050 -0.056 0.000 0.754 130 N CB 0.503 38.995 38.487 0.008 0.000 1.558 130 N HN -0.110 nan 8.380 nan 0.000 0.605 131 E N 0.785 120.852 120.200 -0.222 0.000 2.097 131 E HA -0.196 4.158 4.350 0.007 0.000 0.196 131 E C 0.908 177.501 176.600 -0.011 0.000 1.000 131 E CA 1.243 57.463 56.400 -0.300 0.000 0.804 131 E CB 0.377 29.768 29.700 -0.515 0.000 0.740 131 E HN 0.430 nan 8.360 nan 0.000 0.454 132 E N -0.223 119.978 120.200 0.001 0.000 2.012 132 E HA -0.187 4.167 4.350 0.007 0.000 0.197 132 E C 2.348 179.010 176.600 0.103 0.000 1.007 132 E CA 2.079 58.515 56.400 0.060 0.000 0.816 132 E CB -0.572 29.159 29.700 0.052 0.000 0.762 132 E HN 0.499 nan 8.360 nan 0.000 0.451 133 T N -0.831 113.788 114.554 0.108 0.000 2.833 133 T HA -0.162 4.192 4.350 0.007 0.000 0.269 133 T C 1.951 176.665 174.700 0.022 0.000 1.054 133 T CA 1.180 63.350 62.100 0.117 0.000 1.135 133 T CB -0.594 68.343 68.868 0.115 0.000 0.869 133 T HN 0.107 nan 8.240 nan 0.000 0.466 134 F N 2.065 121.982 119.950 -0.054 0.000 2.075 134 F HA 0.140 4.671 4.527 0.007 0.000 0.297 134 F C 2.000 177.808 175.800 0.013 0.000 1.113 134 F CA 1.019 58.996 58.000 -0.038 0.000 1.218 134 F CB -0.447 38.548 39.000 -0.008 0.000 0.984 134 F HN 0.079 nan 8.300 nan 0.000 0.472 135 L N -0.043 121.188 121.223 0.014 0.000 2.056 135 L HA -0.182 4.162 4.340 0.007 0.000 0.207 135 L C 2.493 179.325 176.870 -0.063 0.000 1.078 135 L CA 1.033 55.838 54.840 -0.058 0.000 0.749 135 L CB -0.705 41.419 42.059 0.108 0.000 0.901 135 L HN -0.000 nan 8.230 nan 0.000 0.433 136 K N 0.384 120.789 120.400 0.008 0.000 2.148 136 K HA -0.157 4.167 4.320 0.007 0.000 0.204 136 K C 1.981 178.581 176.600 -0.001 0.000 1.050 136 K CA 1.080 57.426 56.287 0.099 0.000 0.942 136 K CB -0.223 32.435 32.500 0.264 0.000 0.724 136 K HN 0.239 nan 8.250 nan 0.000 0.446 137 K N -0.213 119.931 120.400 -0.427 0.000 2.057 137 K HA -0.126 4.199 4.320 0.007 0.000 0.206 137 K C 1.938 178.264 176.600 -0.457 0.000 1.050 137 K CA 1.170 56.913 56.287 -0.906 0.000 0.935 137 K CB -0.062 31.736 32.500 -1.170 0.000 0.715 137 K HN 0.015 nan 8.250 nan 0.000 0.439 138 Y N 0.395 120.463 120.300 -0.386 0.000 2.373 138 Y HA -0.143 4.412 4.550 0.007 0.000 0.293 138 Y C 1.882 177.636 175.900 -0.243 0.000 1.129 138 Y CA 0.562 58.449 58.100 -0.354 0.000 1.226 138 Y CB -0.069 38.065 38.460 -0.543 0.000 1.000 138 Y HN 0.075 nan 8.280 nan 0.000 0.549 139 L N -0.830 120.373 121.223 -0.033 0.000 2.056 139 L HA -0.217 4.127 4.340 0.007 0.000 0.207 139 L C 2.278 179.157 176.870 0.014 0.000 1.078 139 L CA 1.741 56.567 54.840 -0.023 0.000 0.749 139 L CB -1.118 40.953 42.059 0.019 0.000 0.901 139 L HN 0.376 nan 8.230 nan 0.000 0.433 140 Y N -0.011 120.255 120.300 -0.057 0.000 2.200 140 Y HA -0.172 4.382 4.550 0.007 0.000 0.290 140 Y C 2.279 178.142 175.900 -0.061 0.000 1.137 140 Y CA 1.813 59.895 58.100 -0.028 0.000 1.163 140 Y CB -0.174 38.358 38.460 0.121 0.000 0.988 140 Y HN 0.231 nan 8.280 nan 0.000 0.518 141 E N 0.469 120.523 120.200 -0.244 0.000 2.110 141 E HA -0.158 4.196 4.350 0.007 0.000 0.193 141 E C 2.208 178.682 176.600 -0.211 0.000 0.988 141 E CA 1.236 57.440 56.400 -0.327 0.000 0.804 141 E CB -0.146 29.451 29.700 -0.172 0.000 0.745 141 E HN 0.527 nan 8.360 nan 0.000 0.458 142 I N 0.701 121.189 120.570 -0.137 0.000 2.333 142 I HA -0.105 4.069 4.170 0.007 0.000 0.246 142 I C 2.357 178.432 176.117 -0.068 0.000 1.106 142 I CA 0.808 62.053 61.300 -0.092 0.000 1.411 142 I CB -1.444 36.434 38.000 -0.203 0.000 1.082 142 I HN -0.080 nan 8.210 nan 0.000 0.420 143 A N 1.932 124.668 122.820 -0.141 0.000 1.929 143 A HA -0.178 4.146 4.320 0.007 0.000 0.216 143 A C 2.418 179.929 177.584 -0.122 0.000 1.176 143 A CA 1.242 53.205 52.037 -0.125 0.000 0.628 143 A CB -0.546 18.392 19.000 -0.102 0.000 0.816 143 A HN 0.510 nan 8.150 nan 0.000 0.444 144 R N -0.515 119.860 120.500 -0.208 0.000 2.115 144 R HA -0.036 4.308 4.340 0.007 0.000 0.230 144 R C 1.869 178.090 176.300 -0.131 0.000 1.111 144 R CA 1.436 57.423 56.100 -0.188 0.000 0.976 144 R CB -0.380 29.718 30.300 -0.337 0.000 0.870 144 R HN 0.404 nan 8.270 nan 0.000 0.445 145 R N -0.141 120.269 120.500 -0.149 0.000 2.200 145 R HA 0.032 4.376 4.340 0.007 0.000 0.208 145 R C 0.024 176.090 176.300 -0.390 0.000 1.033 145 R CA 0.807 56.767 56.100 -0.233 0.000 1.000 145 R CB 0.152 30.302 30.300 -0.251 0.000 0.906 145 R HN 0.427 nan 8.270 nan 0.000 0.462 146 H N -0.487 118.534 119.070 -0.081 0.000 2.439 146 H HA 0.145 4.705 4.556 0.007 0.000 0.230 146 H C -1.921 173.208 175.328 -0.331 0.000 1.420 146 H CA -1.726 54.217 56.048 -0.176 0.000 1.305 146 H CB 0.888 30.441 29.762 -0.349 0.000 1.667 146 H HN 0.006 nan 8.280 nan 0.000 0.515 147 P HA -0.238 nan 4.420 nan 0.000 0.224 147 P C 0.572 177.855 177.300 -0.028 0.000 1.142 147 P CA 1.270 64.346 63.100 -0.040 0.000 0.778 147 P CB 0.007 31.699 31.700 -0.014 0.000 0.764 148 Y N -3.428 116.924 120.300 0.087 0.000 2.497 148 Y HA 0.371 4.926 4.550 0.007 0.000 0.265 148 Y C 0.982 176.978 175.900 0.160 0.000 1.111 148 Y CA -1.225 56.926 58.100 0.084 0.000 1.288 148 Y CB -1.159 37.340 38.460 0.066 0.000 1.082 148 Y HN -0.315 nan 8.280 nan 0.000 0.536 149 F N 2.915 122.372 119.950 -0.821 0.000 2.571 149 F HA 0.041 4.573 4.527 0.007 0.000 0.384 149 F C 0.457 176.218 175.800 -0.065 0.000 1.058 149 F CA -1.008 56.749 58.000 -0.404 0.000 1.200 149 F CB 0.116 38.824 39.000 -0.486 0.000 1.077 149 F HN 0.161 nan 8.300 nan 0.000 0.558 150 Y N 6.925 127.199 120.300 -0.044 0.000 2.804 150 Y HA 0.104 4.658 4.550 0.007 0.000 0.338 150 Y C 1.084 177.090 175.900 0.176 0.000 1.252 150 Y CA -0.157 57.969 58.100 0.043 0.000 1.576 150 Y CB 0.288 38.743 38.460 -0.008 0.000 1.223 150 Y HN 0.780 nan 8.280 nan 0.000 0.536 151 A N 7.541 130.200 122.820 -0.268 0.000 1.896 151 A HA -0.227 4.097 4.320 0.007 0.000 0.220 151 A C -0.296 177.141 177.584 -0.246 0.000 1.206 151 A CA 2.146 54.042 52.037 -0.234 0.000 0.647 151 A CB -1.877 16.972 19.000 -0.252 0.000 0.828 151 A HN 0.727 nan 8.150 nan 0.000 0.455 152 P HA -0.140 nan 4.420 nan 0.000 0.218 152 P C 1.405 178.705 177.300 -0.000 0.000 1.148 152 P CA 1.470 64.429 63.100 -0.236 0.000 0.822 152 P CB -0.015 31.515 31.700 -0.285 0.000 0.784 153 E N -0.783 119.489 120.200 0.120 0.000 2.152 153 E HA -0.148 4.206 4.350 0.007 0.000 0.192 153 E C 1.753 178.715 176.600 0.603 0.000 0.983 153 E CA 0.518 57.141 56.400 0.372 0.000 0.818 153 E CB -0.386 29.631 29.700 0.527 0.000 0.758 153 E HN 0.038 nan 8.360 nan 0.000 0.467 154 L N 0.973 122.476 121.223 0.467 0.000 2.093 154 L HA -0.133 4.211 4.340 0.007 0.000 0.208 154 L C 2.181 179.178 176.870 0.210 0.000 1.085 154 L CA 1.119 56.102 54.840 0.238 0.000 0.755 154 L CB -0.515 41.517 42.059 -0.046 0.000 0.904 154 L HN 0.225 nan 8.230 nan 0.000 0.435 155 L N -1.331 119.979 121.223 0.144 0.000 2.093 155 L HA -0.187 4.157 4.340 0.007 0.000 0.208 155 L C 2.305 179.243 176.870 0.113 0.000 1.085 155 L CA 1.710 56.606 54.840 0.094 0.000 0.755 155 L CB -1.003 41.082 42.059 0.042 0.000 0.904 155 L HN 0.361 nan 8.230 nan 0.000 0.435 156 F N -0.816 119.121 119.950 -0.023 0.000 2.171 156 F HA -0.246 4.285 4.527 0.007 0.000 0.300 156 F C 1.887 177.593 175.800 -0.157 0.000 1.090 156 F CA 1.504 59.410 58.000 -0.157 0.000 1.293 156 F CB -0.371 38.398 39.000 -0.384 0.000 1.013 156 F HN 0.095 nan 8.300 nan 0.000 0.486 157 F N 0.405 120.396 119.950 0.069 0.000 2.163 157 F HA -0.019 4.512 4.527 0.007 0.000 0.297 157 F C 2.600 178.461 175.800 0.100 0.000 1.094 157 F CA 1.221 59.250 58.000 0.049 0.000 1.290 157 F CB -1.261 37.837 39.000 0.162 0.000 1.017 157 F HN 0.051 nan 8.300 nan 0.000 0.483 158 A N 0.177 123.142 122.820 0.242 0.000 1.908 158 A HA -0.239 4.085 4.320 0.007 0.000 0.218 158 A C 2.201 179.868 177.584 0.138 0.000 1.181 158 A CA 1.844 53.993 52.037 0.186 0.000 0.627 158 A CB -0.651 18.403 19.000 0.090 0.000 0.818 158 A HN 0.347 nan 8.150 nan 0.000 0.445 159 K N -0.704 119.698 120.400 0.003 0.000 2.147 159 K HA -0.110 4.214 4.320 0.007 0.000 0.205 159 K C 2.201 178.754 176.600 -0.078 0.000 1.049 159 K CA 1.389 57.649 56.287 -0.045 0.000 0.936 159 K CB -0.158 32.266 32.500 -0.127 0.000 0.722 159 K HN 0.441 nan 8.250 nan 0.000 0.446 160 R N -0.548 119.841 120.500 -0.186 0.000 2.115 160 R HA -0.070 4.274 4.340 0.007 0.000 0.226 160 R C 1.940 178.176 176.300 -0.106 0.000 1.100 160 R CA 1.072 57.039 56.100 -0.222 0.000 0.980 160 R CB -0.205 29.865 30.300 -0.384 0.000 0.875 160 R HN 0.209 nan 8.270 nan 0.000 0.445 161 Y N 1.295 121.607 120.300 0.019 0.000 2.200 161 Y HA -0.174 4.380 4.550 0.007 0.000 0.290 161 Y C 2.508 178.549 175.900 0.236 0.000 1.137 161 Y CA 1.407 59.587 58.100 0.133 0.000 1.163 161 Y CB -0.088 38.471 38.460 0.165 0.000 0.988 161 Y HN -0.063 nan 8.280 nan 0.000 0.518 162 K N 0.233 120.830 120.400 0.328 0.000 2.032 162 K HA -0.232 4.092 4.320 0.007 0.000 0.209 162 K C 2.260 178.974 176.600 0.189 0.000 1.048 162 K CA 1.412 57.879 56.287 0.299 0.000 0.927 162 K CB -0.364 32.287 32.500 0.252 0.000 0.712 162 K HN 0.257 nan 8.250 nan 0.000 0.441 163 A N 0.795 123.671 122.820 0.092 0.000 1.978 163 A HA -0.112 4.212 4.320 0.007 0.000 0.220 163 A C 2.269 179.832 177.584 -0.036 0.000 1.170 163 A CA 1.888 53.940 52.037 0.025 0.000 0.636 163 A CB -0.719 18.266 19.000 -0.025 0.000 0.810 163 A HN 0.517 nan 8.150 nan 0.000 0.448 164 A N -1.433 121.337 122.820 -0.083 0.000 1.929 164 A HA 0.109 4.433 4.320 0.007 0.000 0.216 164 A C 1.911 179.277 177.584 -0.363 0.000 1.176 164 A CA 1.276 53.175 52.037 -0.230 0.000 0.628 164 A CB -0.596 18.209 19.000 -0.326 0.000 0.816 164 A HN 0.459 nan 8.150 nan 0.000 0.444 165 F N 0.204 119.958 119.950 -0.326 0.000 2.149 165 F HA -0.073 4.458 4.527 0.007 0.000 0.294 165 F C 2.764 178.238 175.800 -0.542 0.000 1.095 165 F CA 1.763 59.376 58.000 -0.646 0.000 1.276 165 F CB -0.866 37.306 39.000 -1.380 0.000 1.023 165 F HN 0.098 nan 8.300 nan 0.000 0.480 166 T N -0.410 114.060 114.554 -0.140 0.000 2.665 166 T HA -0.284 4.070 4.350 0.007 0.000 0.268 166 T C 1.847 176.587 174.700 0.067 0.000 1.035 166 T CA 1.917 64.096 62.100 0.132 0.000 1.151 166 T CB -0.339 68.647 68.868 0.196 0.000 0.862 166 T HN 0.354 nan 8.240 nan 0.000 0.438 167 E N -0.281 119.914 120.200 -0.009 0.000 2.001 167 E HA -0.130 4.224 4.350 0.007 0.000 0.193 167 E C 2.452 179.031 176.600 -0.036 0.000 0.994 167 E CA 1.382 57.771 56.400 -0.018 0.000 0.815 167 E CB -0.233 29.439 29.700 -0.048 0.000 0.770 167 E HN 0.447 nan 8.360 nan 0.000 0.453 168 c N 0.598 119.133 118.600 -0.107 0.000 2.422 168 c HA -0.106 4.468 4.570 0.007 0.000 0.279 168 c C 2.725 176.779 174.090 -0.059 0.000 1.305 168 c CA 0.333 56.594 56.329 -0.112 0.000 1.757 168 c CB -0.914 41.472 42.510 -0.206 0.000 1.962 168 c HN 0.632 nan 8.230 nan 0.000 0.499 169 c N 1.200 119.774 118.600 -0.042 0.000 2.511 169 c HA -0.042 4.532 4.570 0.007 0.000 0.277 169 c C 1.791 176.004 174.090 0.205 0.000 1.451 169 c CA 0.689 57.065 56.329 0.077 0.000 1.735 169 c CB -2.180 40.352 42.510 0.037 0.000 1.704 169 c HN 0.775 nan 8.230 nan 0.000 0.571 170 Q N -0.483 119.395 119.800 0.131 0.000 2.182 170 Q HA 0.629 4.973 4.340 0.007 0.000 0.305 170 Q C -0.326 175.707 176.000 0.055 0.000 0.880 170 Q CA -0.121 55.750 55.803 0.114 0.000 1.131 170 Q CB 0.468 29.281 28.738 0.124 0.000 1.237 170 Q HN 0.380 nan 8.270 nan 0.000 0.447 171 A N 0.092 122.934 122.820 0.037 0.000 2.386 171 A HA 0.858 5.183 4.320 0.007 0.000 0.308 171 A C 0.710 178.301 177.584 0.012 0.000 1.128 171 A CA -0.187 51.859 52.037 0.015 0.000 0.789 171 A CB 1.089 20.087 19.000 -0.004 0.000 1.325 171 A HN 0.343 nan 8.150 nan 0.000 0.437 172 A N 0.104 122.927 122.820 0.006 0.000 1.834 172 A HA -0.026 4.298 4.320 0.007 0.000 0.216 172 A C 0.862 178.447 177.584 0.003 0.000 1.203 172 A CA 2.195 54.235 52.037 0.004 0.000 0.621 172 A CB -0.555 18.446 19.000 0.001 0.000 0.841 172 A HN 0.750 nan 8.150 nan 0.000 0.446 173 D N -0.690 119.708 120.400 -0.004 0.000 2.499 173 D HA 0.334 4.978 4.640 0.007 0.000 0.225 173 D C 0.937 177.228 176.300 -0.015 0.000 1.124 173 D CA -0.143 53.852 54.000 -0.007 0.000 0.938 173 D CB 0.441 41.236 40.800 -0.009 0.000 1.014 173 D HN 0.327 nan 8.370 nan 0.000 0.517 174 K N 1.641 122.034 120.400 -0.012 0.000 2.001 174 K HA -0.209 4.115 4.320 0.007 0.000 0.214 174 K C 1.969 178.541 176.600 -0.046 0.000 1.050 174 K CA 1.529 57.800 56.287 -0.027 0.000 0.934 174 K CB -0.168 32.327 32.500 -0.009 0.000 0.718 174 K HN 0.369 nan 8.250 nan 0.000 0.443 175 A N 1.727 124.529 122.820 -0.030 0.000 1.903 175 A HA -0.237 4.087 4.320 0.007 0.000 0.219 175 A C 2.441 180.001 177.584 -0.040 0.000 1.191 175 A CA 2.314 54.331 52.037 -0.033 0.000 0.638 175 A CB -0.989 18.002 19.000 -0.015 0.000 0.823 175 A HN 0.419 nan 8.150 nan 0.000 0.451 176 A N -1.744 121.057 122.820 -0.032 0.000 2.019 176 A HA -0.124 4.200 4.320 0.007 0.000 0.219 176 A C 2.333 179.890 177.584 -0.044 0.000 1.164 176 A CA 1.691 53.709 52.037 -0.031 0.000 0.644 176 A CB -1.122 17.864 19.000 -0.022 0.000 0.805 176 A HN 0.802 nan 8.150 nan 0.000 0.449 177 c N -1.633 116.933 118.600 -0.057 0.000 2.576 177 c HA 0.170 4.745 4.570 0.007 0.000 0.281 177 c C 2.384 176.406 174.090 -0.114 0.000 1.292 177 c CA 1.049 57.332 56.329 -0.076 0.000 1.697 177 c CB -1.102 41.364 42.510 -0.074 0.000 2.109 177 c HN 0.548 nan 8.230 nan 0.000 0.497 178 L N 0.742 121.879 121.223 -0.144 0.000 2.044 178 L HA 0.075 4.419 4.340 0.007 0.000 0.205 178 L C 2.238 179.006 176.870 -0.169 0.000 1.075 178 L CA 1.728 56.438 54.840 -0.217 0.000 0.747 178 L CB -0.948 40.942 42.059 -0.283 0.000 0.903 178 L HN 0.233 nan 8.230 nan 0.000 0.435 179 L N 0.620 121.779 121.223 -0.106 0.000 1.997 179 L HA -0.197 4.148 4.340 0.007 0.000 0.216 179 L C -0.383 176.451 176.870 -0.060 0.000 1.074 179 L CA 2.681 57.481 54.840 -0.067 0.000 0.763 179 L CB -2.272 39.764 42.059 -0.039 0.000 0.890 179 L HN 0.281 nan 8.230 nan 0.000 0.434 180 P HA -0.187 nan 4.420 nan 0.000 0.218 180 P C 1.387 178.648 177.300 -0.066 0.000 1.149 180 P CA 1.505 64.577 63.100 -0.047 0.000 0.817 180 P CB 0.021 31.697 31.700 -0.040 0.000 0.785 181 K N -0.320 120.018 120.400 -0.104 0.000 2.097 181 K HA -0.002 4.322 4.320 0.007 0.000 0.205 181 K C 2.355 178.861 176.600 -0.156 0.000 1.050 181 K CA 0.947 57.150 56.287 -0.141 0.000 0.938 181 K CB -0.462 31.921 32.500 -0.195 0.000 0.718 181 K HN 0.173 nan 8.250 nan 0.000 0.442 182 L N 0.982 122.128 121.223 -0.128 0.000 2.093 182 L HA -0.186 4.159 4.340 0.007 0.000 0.208 182 L C 1.804 178.671 176.870 -0.004 0.000 1.085 182 L CA 0.985 55.793 54.840 -0.053 0.000 0.755 182 L CB -0.356 41.699 42.059 -0.006 0.000 0.904 182 L HN 0.159 nan 8.230 nan 0.000 0.435 183 D N -0.169 120.223 120.400 -0.013 0.000 2.117 183 D HA -0.212 4.432 4.640 0.007 0.000 0.198 183 D C 2.005 178.311 176.300 0.010 0.000 0.982 183 D CA 1.106 55.111 54.000 0.009 0.000 0.828 183 D CB 0.024 40.827 40.800 0.005 0.000 0.967 183 D HN 0.368 nan 8.370 nan 0.000 0.464 184 E N 0.079 120.272 120.200 -0.012 0.000 2.077 184 E HA -0.168 4.186 4.350 0.007 0.000 0.193 184 E C 2.001 178.613 176.600 0.021 0.000 0.989 184 E CA 0.491 56.892 56.400 0.001 0.000 0.800 184 E CB 0.040 29.730 29.700 -0.016 0.000 0.746 184 E HN 0.022 nan 8.360 nan 0.000 0.452 185 L N 1.420 122.622 121.223 -0.034 0.000 2.046 185 L HA -0.129 4.215 4.340 0.007 0.000 0.208 185 L C 2.585 179.510 176.870 0.092 0.000 1.077 185 L CA 1.652 56.467 54.840 -0.041 0.000 0.747 185 L CB -0.796 41.010 42.059 -0.421 0.000 0.896 185 L HN 0.120 nan 8.230 nan 0.000 0.432 186 R N -0.517 120.040 120.500 0.095 0.000 2.073 186 R HA -0.158 4.186 4.340 0.007 0.000 0.234 186 R C 1.874 178.217 176.300 0.071 0.000 1.134 186 R CA 1.735 57.892 56.100 0.095 0.000 0.952 186 R CB -0.217 30.133 30.300 0.084 0.000 0.850 186 R HN 0.347 nan 8.270 nan 0.000 0.433 187 D N 0.461 120.904 120.400 0.073 0.000 2.092 187 D HA -0.208 4.436 4.640 0.007 0.000 0.193 187 D C 1.736 178.109 176.300 0.122 0.000 0.994 187 D CA 1.397 55.444 54.000 0.078 0.000 0.828 187 D CB -0.290 40.544 40.800 0.057 0.000 0.963 187 D HN 0.414 nan 8.370 nan 0.000 0.450 188 E N 0.110 120.407 120.200 0.163 0.000 2.118 188 E HA -0.133 4.221 4.350 0.007 0.000 0.195 188 E C 2.135 178.897 176.600 0.270 0.000 0.992 188 E CA 1.214 57.775 56.400 0.268 0.000 0.804 188 E CB -0.217 29.683 29.700 0.333 0.000 0.741 188 E HN 0.280 nan 8.360 nan 0.000 0.458 189 G N 0.829 109.688 108.800 0.098 0.000 2.402 189 G HA2 -0.254 3.710 3.960 0.007 0.000 0.216 189 G HA3 -0.254 3.710 3.960 0.007 0.000 0.216 189 G C 1.415 176.288 174.900 -0.044 0.000 1.162 189 G CA 0.702 45.646 45.100 -0.260 0.000 0.777 189 G HN 0.157 nan 8.290 nan 0.000 0.539 190 K N 0.608 121.030 120.400 0.037 0.000 2.097 190 K HA 0.092 4.416 4.320 0.007 0.000 0.205 190 K C 2.936 179.619 176.600 0.138 0.000 1.050 190 K CA 0.875 57.218 56.287 0.094 0.000 0.938 190 K CB -0.186 32.366 32.500 0.087 0.000 0.718 190 K HN 0.259 nan 8.250 nan 0.000 0.442 191 A N 1.204 124.116 122.820 0.153 0.000 1.902 191 A HA -0.197 4.127 4.320 0.007 0.000 0.217 191 A C 2.259 179.944 177.584 0.168 0.000 1.181 191 A CA 2.092 54.232 52.037 0.170 0.000 0.623 191 A CB -0.711 18.422 19.000 0.221 0.000 0.818 191 A HN 0.290 nan 8.150 nan 0.000 0.443 192 S N -0.681 115.148 115.700 0.215 0.000 2.382 192 S HA -0.157 4.318 4.470 0.007 0.000 0.228 192 S C 2.328 176.980 174.600 0.087 0.000 1.027 192 S CA 1.993 60.316 58.200 0.205 0.000 0.991 192 S CB -0.481 62.957 63.200 0.396 0.000 0.823 192 S HN 0.649 nan 8.310 nan 0.000 0.469 193 S N 0.724 116.536 115.700 0.188 0.000 2.356 193 S HA 0.003 4.477 4.470 0.007 0.000 0.223 193 S C 2.122 176.820 174.600 0.164 0.000 1.032 193 S CA 1.460 59.804 58.200 0.240 0.000 1.005 193 S CB -0.861 62.608 63.200 0.449 0.000 0.867 193 S HN 0.711 nan 8.310 nan 0.000 0.449 194 A N 1.543 124.440 122.820 0.129 0.000 1.902 194 A HA -0.091 4.233 4.320 0.007 0.000 0.217 194 A C 2.145 179.749 177.584 0.033 0.000 1.181 194 A CA 1.655 53.734 52.037 0.070 0.000 0.623 194 A CB -0.617 18.426 19.000 0.071 0.000 0.818 194 A HN 0.644 nan 8.150 nan 0.000 0.443 195 K N -0.562 119.860 120.400 0.037 0.000 2.063 195 K HA -0.206 4.118 4.320 0.007 0.000 0.208 195 K C 2.328 178.914 176.600 -0.024 0.000 1.048 195 K CA 1.731 58.020 56.287 0.003 0.000 0.928 195 K CB -0.231 32.281 32.500 0.021 0.000 0.713 195 K HN 0.623 nan 8.250 nan 0.000 0.442 196 Q N 0.011 119.803 119.800 -0.012 0.000 2.079 196 Q HA -0.181 4.163 4.340 0.007 0.000 0.200 196 Q C 2.594 178.587 176.000 -0.012 0.000 0.974 196 Q CA 1.963 57.757 55.803 -0.014 0.000 0.840 196 Q CB -0.211 28.510 28.738 -0.028 0.000 0.898 196 Q HN 0.363 nan 8.270 nan 0.000 0.430 197 R N 0.821 121.309 120.500 -0.018 0.000 2.066 197 R HA -0.117 4.227 4.340 0.007 0.000 0.232 197 R C 2.046 178.311 176.300 -0.057 0.000 1.131 197 R CA 1.542 57.601 56.100 -0.068 0.000 0.955 197 R CB -1.599 28.626 30.300 -0.124 0.000 0.851 197 R HN 0.279 nan 8.270 nan 0.000 0.432 198 L N 0.708 121.902 121.223 -0.048 0.000 2.013 198 L HA -0.120 4.224 4.340 0.007 0.000 0.212 198 L C 2.903 179.728 176.870 -0.075 0.000 1.073 198 L CA 3.547 58.358 54.840 -0.050 0.000 0.753 198 L CB -0.937 41.091 42.059 -0.052 0.000 0.890 198 L HN 0.497 nan 8.230 nan 0.000 0.432 199 K N -1.213 119.124 120.400 -0.106 0.000 2.032 199 K HA -0.217 4.107 4.320 0.007 0.000 0.209 199 K C 2.075 178.621 176.600 -0.090 0.000 1.048 199 K CA 2.124 58.327 56.287 -0.139 0.000 0.927 199 K CB -2.050 30.347 32.500 -0.172 0.000 0.712 199 K HN 0.685 nan 8.250 nan 0.000 0.441 200 c N -0.205 118.354 118.600 -0.069 0.000 2.446 200 c HA 0.243 4.817 4.570 0.007 0.000 0.277 200 c C 3.266 177.321 174.090 -0.058 0.000 1.275 200 c CA 0.589 56.880 56.329 -0.063 0.000 1.727 200 c CB -0.646 41.842 42.510 -0.036 0.000 2.010 200 c HN 0.752 nan 8.230 nan 0.000 0.486 201 A N 0.673 123.464 122.820 -0.049 0.000 1.902 201 A HA -0.139 4.185 4.320 0.007 0.000 0.217 201 A C 2.251 179.816 177.584 -0.031 0.000 1.181 201 A CA 2.244 54.251 52.037 -0.049 0.000 0.623 201 A CB -0.758 18.217 19.000 -0.042 0.000 0.818 201 A HN 0.554 nan 8.150 nan 0.000 0.443 202 S N -0.447 115.278 115.700 0.042 0.000 2.382 202 S HA -0.131 4.343 4.470 0.007 0.000 0.228 202 S C 1.814 176.520 174.600 0.177 0.000 1.027 202 S CA 1.368 59.697 58.200 0.215 0.000 0.991 202 S CB -0.400 62.897 63.200 0.162 0.000 0.823 202 S HN 0.473 nan 8.310 nan 0.000 0.469 203 L N 2.007 123.259 121.223 0.047 0.000 2.131 203 L HA -0.106 4.238 4.340 0.007 0.000 0.210 203 L C 2.699 179.546 176.870 -0.038 0.000 1.092 203 L CA 2.291 57.120 54.840 -0.019 0.000 0.759 203 L CB -1.150 40.791 42.059 -0.196 0.000 0.903 203 L HN 0.406 nan 8.230 nan 0.000 0.435 204 Q N -0.495 119.265 119.800 -0.067 0.000 2.096 204 Q HA -0.155 4.189 4.340 0.007 0.000 0.197 204 Q C 2.337 178.250 176.000 -0.145 0.000 0.964 204 Q CA 1.726 57.474 55.803 -0.091 0.000 0.838 204 Q CB -0.655 28.030 28.738 -0.089 0.000 0.906 204 Q HN 0.621 nan 8.270 nan 0.000 0.444 205 K N -0.709 119.538 120.400 -0.256 0.000 2.007 205 K HA 0.043 4.367 4.320 0.007 0.000 0.206 205 K C 1.696 177.959 176.600 -0.562 0.000 1.047 205 K CA 1.579 57.547 56.287 -0.532 0.000 0.937 205 K CB -0.060 31.844 32.500 -0.993 0.000 0.718 205 K HN 0.531 nan 8.250 nan 0.000 0.438 206 F N 0.319 120.269 119.950 0.001 0.000 2.776 206 F HA 0.237 4.768 4.527 0.008 0.000 0.300 206 F C 1.112 176.931 175.800 0.032 0.000 1.116 206 F CA 0.102 58.112 58.000 0.017 0.000 1.375 206 F CB 0.341 39.354 39.000 0.021 0.000 1.109 206 F HN 0.144 nan 8.300 nan 0.000 0.585 207 G N 0.929 109.812 108.800 0.138 0.000 2.756 207 G HA2 -0.272 3.692 3.960 0.007 0.000 0.678 207 G HA3 -0.272 3.692 3.960 0.007 0.000 0.678 207 G C 0.374 175.363 174.900 0.148 0.000 1.349 207 G CA -0.039 45.125 45.100 0.106 0.000 0.847 207 G HN 0.291 nan 8.290 nan 0.000 0.548 208 E N -0.380 119.886 120.200 0.110 0.000 2.106 208 E HA -0.131 4.223 4.350 0.007 0.000 0.192 208 E C 2.504 179.227 176.600 0.205 0.000 0.984 208 E CA 1.289 57.774 56.400 0.141 0.000 0.806 208 E CB -0.044 29.704 29.700 0.079 0.000 0.750 208 E HN 0.526 nan 8.360 nan 0.000 0.458 209 R N 0.076 120.673 120.500 0.162 0.000 2.070 209 R HA -0.157 4.187 4.340 0.007 0.000 0.233 209 R C 2.241 178.648 176.300 0.178 0.000 1.137 209 R CA 1.488 57.682 56.100 0.157 0.000 0.945 209 R CB -0.338 30.038 30.300 0.126 0.000 0.845 209 R HN 0.193 nan 8.270 nan 0.000 0.430 210 A N 0.202 123.133 122.820 0.184 0.000 1.933 210 A HA -0.196 4.128 4.320 0.007 0.000 0.218 210 A C 2.014 179.720 177.584 0.203 0.000 1.175 210 A CA 1.357 53.495 52.037 0.167 0.000 0.628 210 A CB -0.769 18.328 19.000 0.162 0.000 0.814 210 A HN 0.559 nan 8.150 nan 0.000 0.444 211 F N 0.542 120.559 119.950 0.112 0.000 2.146 211 F HA -0.086 4.446 4.527 0.007 0.000 0.298 211 F C 2.155 178.078 175.800 0.205 0.000 1.096 211 F CA 1.966 60.039 58.000 0.121 0.000 1.275 211 F CB -0.094 38.943 39.000 0.061 0.000 1.008 211 F HN 0.090 nan 8.300 nan 0.000 0.480 212 K N 0.152 120.734 120.400 0.303 0.000 2.097 212 K HA -0.140 4.184 4.320 0.007 0.000 0.206 212 K C 2.274 178.935 176.600 0.102 0.000 1.049 212 K CA 1.131 57.538 56.287 0.201 0.000 0.933 212 K CB -0.480 32.144 32.500 0.207 0.000 0.717 212 K HN 0.364 nan 8.250 nan 0.000 0.442 213 A N 0.666 123.556 122.820 0.117 0.000 1.898 213 A HA -0.187 4.137 4.320 0.007 0.000 0.216 213 A C 1.913 179.515 177.584 0.030 0.000 1.181 213 A CA 1.173 53.262 52.037 0.086 0.000 0.620 213 A CB -0.896 18.164 19.000 0.099 0.000 0.819 213 A HN 0.584 nan 8.150 nan 0.000 0.442 214 W N 0.745 121.950 121.300 -0.159 0.000 2.338 214 W HA -0.179 4.484 4.660 0.004 0.000 0.304 214 W C 2.399 178.758 176.519 -0.267 0.000 1.212 214 W CA 2.470 59.677 57.345 -0.231 0.000 1.264 214 W CB -0.129 29.144 29.460 -0.312 0.000 1.142 214 W HN 0.346 nan 8.180 nan 0.000 0.512 215 A N -0.511 122.211 122.820 -0.164 0.000 1.930 215 A HA -0.126 4.198 4.320 0.007 0.000 0.217 215 A C 2.000 179.450 177.584 -0.224 0.000 1.175 215 A CA 1.934 53.812 52.037 -0.264 0.000 0.627 215 A CB -1.158 17.774 19.000 -0.114 0.000 0.815 215 A HN 0.174 nan 8.150 nan 0.000 0.443 216 V N -0.029 119.819 119.914 -0.111 0.000 2.287 216 V HA -0.288 3.836 4.120 0.007 0.000 0.248 216 V C 3.079 179.116 176.094 -0.094 0.000 1.053 216 V CA 2.072 64.351 62.300 -0.034 0.000 1.027 216 V CB -1.209 30.654 31.823 0.067 0.000 0.646 216 V HN 0.619 nan 8.190 nan 0.000 0.447 217 A N -0.086 122.619 122.820 -0.191 0.000 1.877 217 A HA -0.269 4.055 4.320 0.007 0.000 0.216 217 A C 2.436 179.812 177.584 -0.347 0.000 1.186 217 A CA 2.141 54.028 52.037 -0.250 0.000 0.620 217 A CB -0.622 18.199 19.000 -0.298 0.000 0.822 217 A HN 0.477 nan 8.150 nan 0.000 0.443 218 R N -0.180 119.992 120.500 -0.546 0.000 2.073 218 R HA -0.065 4.279 4.340 0.007 0.000 0.234 218 R C 1.892 177.940 176.300 -0.420 0.000 1.134 218 R CA 1.677 57.426 56.100 -0.584 0.000 0.952 218 R CB -0.414 29.332 30.300 -0.924 0.000 0.850 218 R HN 0.534 nan 8.270 nan 0.000 0.433 219 L N 0.348 121.377 121.223 -0.325 0.000 2.291 219 L HA -0.045 4.299 4.340 0.007 0.000 0.214 219 L C 2.208 178.968 176.870 -0.184 0.000 1.120 219 L CA 0.740 55.419 54.840 -0.268 0.000 0.799 219 L CB -0.104 41.926 42.059 -0.047 0.000 0.925 219 L HN 0.195 nan 8.230 nan 0.000 0.446 220 S N -0.791 114.846 115.700 -0.106 0.000 2.446 220 S HA -0.090 4.384 4.470 0.007 0.000 0.225 220 S C 1.895 176.402 174.600 -0.155 0.000 1.016 220 S CA 0.637 58.820 58.200 -0.028 0.000 0.943 220 S CB 0.086 63.298 63.200 0.020 0.000 0.786 220 S HN 0.445 nan 8.310 nan 0.000 0.508 221 Q N 0.845 120.509 119.800 -0.225 0.000 2.083 221 Q HA 0.026 4.370 4.340 0.007 0.000 0.198 221 Q C 2.320 178.169 176.000 -0.252 0.000 0.969 221 Q CA 1.011 56.674 55.803 -0.234 0.000 0.838 221 Q CB -0.090 28.503 28.738 -0.242 0.000 0.900 221 Q HN 0.401 nan 8.270 nan 0.000 0.436 222 R N -0.382 119.894 120.500 -0.375 0.000 2.073 222 R HA -0.033 4.312 4.340 0.007 0.000 0.229 222 R C 0.173 176.230 176.300 -0.405 0.000 1.120 222 R CA 0.758 56.550 56.100 -0.512 0.000 0.967 222 R CB 0.256 30.041 30.300 -0.859 0.000 0.862 222 R HN 0.093 nan 8.270 nan 0.000 0.436 223 F N 1.021 120.943 119.950 -0.046 0.000 2.532 223 F HA 0.313 4.845 4.527 0.008 0.000 0.313 223 F C -1.663 174.135 175.800 -0.004 0.000 1.301 223 F CA -3.206 54.783 58.000 -0.019 0.000 1.154 223 F CB 0.934 39.938 39.000 0.006 0.000 1.335 223 F HN -0.105 nan 8.300 nan 0.000 0.542 224 P HA -0.203 nan 4.420 nan 0.000 0.219 224 P C 0.937 178.264 177.300 0.045 0.000 1.146 224 P CA 1.503 64.598 63.100 -0.008 0.000 0.808 224 P CB 0.352 31.996 31.700 -0.093 0.000 0.779 225 K N -0.553 119.894 120.400 0.079 0.000 2.418 225 K HA 0.200 4.524 4.320 0.007 0.000 0.195 225 K C 1.228 177.895 176.600 0.111 0.000 1.035 225 K CA -0.092 56.238 56.287 0.071 0.000 1.003 225 K CB -0.020 32.504 32.500 0.039 0.000 0.793 225 K HN 0.101 nan 8.250 nan 0.000 0.494 226 A N 1.945 124.862 122.820 0.161 0.000 2.386 226 A HA 0.065 4.389 4.320 0.007 0.000 0.248 226 A C 0.003 177.715 177.584 0.214 0.000 1.082 226 A CA -0.255 51.868 52.037 0.144 0.000 0.789 226 A CB 0.298 19.384 19.000 0.143 0.000 1.025 226 A HN 0.119 nan 8.150 nan 0.000 0.490 227 E N 0.161 120.427 120.200 0.111 0.000 2.373 227 E HA 0.116 4.470 4.350 0.007 0.000 0.263 227 E C 0.253 176.796 176.600 -0.094 0.000 1.073 227 E CA -0.236 56.209 56.400 0.075 0.000 0.894 227 E CB 0.580 30.303 29.700 0.039 0.000 1.008 227 E HN 0.654 nan 8.360 nan 0.000 0.420 228 F N 2.487 122.152 119.950 -0.475 0.000 2.161 228 F HA -0.191 4.340 4.527 0.007 0.000 0.300 228 F C 1.970 177.582 175.800 -0.312 0.000 1.089 228 F CA 1.909 59.441 58.000 -0.780 0.000 1.282 228 F CB -0.180 38.344 39.000 -0.794 0.000 1.010 228 F HN 0.554 nan 8.300 nan 0.000 0.485 229 A N -0.434 122.234 122.820 -0.253 0.000 1.969 229 A HA -0.184 4.140 4.320 0.007 0.000 0.218 229 A C 2.056 179.507 177.584 -0.222 0.000 1.169 229 A CA 1.742 53.634 52.037 -0.241 0.000 0.635 229 A CB -0.774 18.197 19.000 -0.048 0.000 0.810 229 A HN 0.466 nan 8.150 nan 0.000 0.445 230 E N -0.296 119.814 120.200 -0.149 0.000 2.112 230 E HA -0.058 4.296 4.350 0.007 0.000 0.190 230 E C 1.783 178.329 176.600 -0.090 0.000 0.979 230 E CA 1.195 57.554 56.400 -0.068 0.000 0.814 230 E CB -0.276 29.414 29.700 -0.017 0.000 0.762 230 E HN 0.217 nan 8.360 nan 0.000 0.460 231 V N 0.254 120.069 119.914 -0.165 0.000 2.427 231 V HA -0.221 3.903 4.120 0.007 0.000 0.248 231 V C 2.199 178.166 176.094 -0.211 0.000 1.051 231 V CA 1.916 64.144 62.300 -0.120 0.000 1.048 231 V CB -0.454 31.310 31.823 -0.097 0.000 0.666 231 V HN 0.249 nan 8.190 nan 0.000 0.456 232 S N -0.753 114.686 115.700 -0.434 0.000 2.383 232 S HA -0.165 4.309 4.470 0.007 0.000 0.227 232 S C 2.072 176.563 174.600 -0.182 0.000 1.026 232 S CA 1.030 59.004 58.200 -0.376 0.000 0.981 232 S CB -0.254 62.614 63.200 -0.553 0.000 0.818 232 S HN 0.401 nan 8.310 nan 0.000 0.472 233 K N 1.749 122.054 120.400 -0.158 0.000 2.009 233 K HA -0.010 4.314 4.320 0.007 0.000 0.210 233 K C 1.992 178.538 176.600 -0.090 0.000 1.049 233 K CA 1.311 57.528 56.287 -0.117 0.000 0.929 233 K CB -0.783 31.659 32.500 -0.098 0.000 0.714 233 K HN 0.350 nan 8.250 nan 0.000 0.440 234 L N 0.516 121.718 121.223 -0.034 0.000 2.042 234 L HA -0.194 4.150 4.340 0.007 0.000 0.210 234 L C 2.519 179.419 176.870 0.051 0.000 1.076 234 L CA 0.901 55.760 54.840 0.032 0.000 0.749 234 L CB -0.509 41.616 42.059 0.110 0.000 0.893 234 L HN -0.067 nan 8.230 nan 0.000 0.432 235 V N -0.672 119.263 119.914 0.035 0.000 2.407 235 V HA -0.273 3.851 4.120 0.007 0.000 0.248 235 V C 2.540 178.695 176.094 0.102 0.000 1.055 235 V CA 2.240 64.586 62.300 0.077 0.000 1.049 235 V CB -0.578 31.267 31.823 0.037 0.000 0.662 235 V HN 0.480 nan 8.190 nan 0.000 0.455 236 T N -0.361 114.215 114.554 0.037 0.000 2.701 236 T HA -0.177 4.177 4.350 0.007 0.000 0.263 236 T C 1.674 176.393 174.700 0.032 0.000 1.040 236 T CA 1.737 63.856 62.100 0.033 0.000 1.147 236 T CB -0.368 68.491 68.868 -0.016 0.000 0.865 236 T HN 0.467 nan 8.240 nan 0.000 0.426 237 D N 0.994 121.389 120.400 -0.007 0.000 2.123 237 D HA -0.058 4.586 4.640 0.007 0.000 0.196 237 D C 1.993 178.318 176.300 0.040 0.000 0.992 237 D CA 0.568 54.557 54.000 -0.018 0.000 0.833 237 D CB -0.532 40.223 40.800 -0.074 0.000 0.954 237 D HN 0.150 nan 8.370 nan 0.000 0.455 238 L N 0.742 122.029 121.223 0.107 0.000 2.083 238 L HA -0.131 4.213 4.340 0.007 0.000 0.209 238 L C 2.067 179.114 176.870 0.296 0.000 1.083 238 L CA 1.726 56.691 54.840 0.209 0.000 0.752 238 L CB -0.898 41.332 42.059 0.285 0.000 0.899 238 L HN -0.042 nan 8.230 nan 0.000 0.433 239 T N -0.517 114.203 114.554 0.277 0.000 2.777 239 T HA -0.193 4.161 4.350 0.007 0.000 0.266 239 T C 1.871 176.578 174.700 0.012 0.000 1.040 239 T CA 1.556 63.769 62.100 0.189 0.000 1.141 239 T CB -0.166 68.823 68.868 0.203 0.000 0.868 239 T HN 0.353 nan 8.240 nan 0.000 0.444 240 K N 0.987 121.398 120.400 0.019 0.000 2.026 240 K HA -0.094 4.230 4.320 0.007 0.000 0.208 240 K C 2.250 178.824 176.600 -0.043 0.000 1.048 240 K CA 1.156 57.430 56.287 -0.021 0.000 0.929 240 K CB -0.418 32.072 32.500 -0.018 0.000 0.713 240 K HN 0.143 nan 8.250 nan 0.000 0.439 241 V N 1.420 121.303 119.914 -0.051 0.000 2.282 241 V HA -0.269 3.856 4.120 0.007 0.000 0.249 241 V C 2.403 178.371 176.094 -0.209 0.000 1.057 241 V CA 1.960 64.181 62.300 -0.132 0.000 1.032 241 V CB -0.680 31.037 31.823 -0.177 0.000 0.645 241 V HN 0.453 nan 8.190 nan 0.000 0.447 242 H N -0.510 118.514 119.070 -0.076 0.000 2.462 242 H HA -0.069 4.491 4.556 0.008 0.000 0.292 242 H C 2.470 177.695 175.328 -0.172 0.000 1.049 242 H CA 1.760 57.727 56.048 -0.135 0.000 1.334 242 H CB -0.239 29.416 29.762 -0.178 0.000 1.404 242 H HN 0.410 nan 8.280 nan 0.000 0.544 243 T N 0.710 115.212 114.554 -0.088 0.000 2.708 243 T HA -0.111 4.243 4.350 0.007 0.000 0.266 243 T C 1.886 176.568 174.700 -0.030 0.000 1.037 243 T CA 1.250 63.294 62.100 -0.094 0.000 1.146 243 T CB 0.031 68.839 68.868 -0.101 0.000 0.865 243 T HN 0.494 nan 8.240 nan 0.000 0.435 244 E N 0.089 120.275 120.200 -0.023 0.000 2.047 244 E HA -0.095 4.259 4.350 0.007 0.000 0.191 244 E C 2.509 179.140 176.600 0.053 0.000 0.987 244 E CA 1.112 57.529 56.400 0.028 0.000 0.799 244 E CB -0.240 29.468 29.700 0.013 0.000 0.752 244 E HN 0.442 nan 8.360 nan 0.000 0.449 245 c N 0.427 119.017 118.600 -0.018 0.000 2.419 245 c HA -0.124 4.450 4.570 0.007 0.000 0.281 245 c C 2.782 176.890 174.090 0.030 0.000 1.336 245 c CA 0.113 56.425 56.329 -0.027 0.000 1.770 245 c CB -0.837 41.580 42.510 -0.156 0.000 1.929 245 c HN 0.594 nan 8.230 nan 0.000 0.509 246 c N -1.018 117.606 118.600 0.041 0.000 2.446 246 c HA -0.092 4.482 4.570 0.007 0.000 0.279 246 c C 2.584 176.728 174.090 0.090 0.000 1.366 246 c CA 0.705 57.063 56.329 0.049 0.000 1.763 246 c CB -1.845 40.671 42.510 0.010 0.000 1.929 246 c HN 0.711 nan 8.230 nan 0.000 0.509 247 H N 0.264 119.333 119.070 -0.001 0.000 2.457 247 H HA 0.000 4.561 4.556 0.007 0.000 0.294 247 H C 1.942 177.291 175.328 0.035 0.000 1.064 247 H CA 1.273 57.326 56.048 0.009 0.000 1.330 247 H CB -0.023 29.744 29.762 0.010 0.000 1.395 247 H HN 0.531 nan 8.280 nan 0.000 0.541 248 G N 0.786 109.582 108.800 -0.007 0.000 2.195 248 G HA2 -0.236 3.728 3.960 0.007 0.000 0.224 248 G HA3 -0.236 3.728 3.960 0.007 0.000 0.224 248 G C -0.040 174.850 174.900 -0.017 0.000 0.990 248 G CA 0.204 45.278 45.100 -0.043 0.000 0.639 248 G HN 0.519 nan 8.290 nan 0.000 0.514 249 D N 1.244 121.646 120.400 0.002 0.000 2.344 249 D HA 0.295 4.939 4.640 0.007 0.000 0.253 249 D C 1.747 178.113 176.300 0.109 0.000 1.255 249 D CA -0.250 53.806 54.000 0.094 0.000 0.894 249 D CB 0.931 41.831 40.800 0.166 0.000 1.067 249 D HN 0.153 nan 8.370 nan 0.000 0.492 250 L N 5.678 126.949 121.223 0.081 0.000 1.990 250 L HA -0.218 4.126 4.340 0.007 0.000 0.213 250 L C 2.038 178.942 176.870 0.057 0.000 1.072 250 L CA 1.756 56.641 54.840 0.073 0.000 0.755 250 L CB -0.460 41.576 42.059 -0.038 0.000 0.889 250 L HN 0.547 nan 8.230 nan 0.000 0.432 251 L N -0.754 120.449 121.223 -0.034 0.000 2.012 251 L HA -0.197 4.147 4.340 0.007 0.000 0.210 251 L C 2.730 179.650 176.870 0.084 0.000 1.073 251 L CA 1.350 56.165 54.840 -0.042 0.000 0.748 251 L CB -0.841 41.065 42.059 -0.254 0.000 0.891 251 L HN 0.339 nan 8.230 nan 0.000 0.431 252 E N -0.501 119.791 120.200 0.152 0.000 2.051 252 E HA -0.254 4.100 4.350 0.007 0.000 0.192 252 E C 2.270 178.927 176.600 0.095 0.000 0.991 252 E CA 1.538 58.025 56.400 0.144 0.000 0.799 252 E CB -0.880 28.916 29.700 0.159 0.000 0.748 252 E HN 0.533 nan 8.360 nan 0.000 0.449 253 c N 1.186 119.842 118.600 0.092 0.000 2.413 253 c HA -0.111 4.463 4.570 0.007 0.000 0.276 253 c C 2.905 177.033 174.090 0.064 0.000 1.236 253 c CA 1.529 57.884 56.329 0.042 0.000 1.735 253 c CB -1.034 41.506 42.510 0.050 0.000 2.031 253 c HN 0.469 nan 8.230 nan 0.000 0.474 254 A N 0.178 123.099 122.820 0.167 0.000 1.902 254 A HA -0.143 4.181 4.320 0.007 0.000 0.217 254 A C 1.903 179.558 177.584 0.117 0.000 1.181 254 A CA 2.174 54.329 52.037 0.197 0.000 0.623 254 A CB -0.736 18.365 19.000 0.169 0.000 0.818 254 A HN 0.657 nan 8.150 nan 0.000 0.443 255 D N 0.228 120.685 120.400 0.095 0.000 2.144 255 D HA -0.111 4.533 4.640 0.007 0.000 0.200 255 D C 1.315 177.653 176.300 0.063 0.000 0.978 255 D CA 1.306 55.357 54.000 0.085 0.000 0.833 255 D CB -0.375 40.479 40.800 0.091 0.000 0.961 255 D HN 0.372 nan 8.370 nan 0.000 0.470 256 D N 0.442 120.867 120.400 0.042 0.000 2.117 256 D HA -0.068 4.576 4.640 0.007 0.000 0.198 256 D C 2.202 178.504 176.300 0.004 0.000 0.982 256 D CA 0.619 54.627 54.000 0.013 0.000 0.828 256 D CB -0.084 40.708 40.800 -0.014 0.000 0.967 256 D HN 0.178 nan 8.370 nan 0.000 0.464 257 R N 0.723 121.219 120.500 -0.007 0.000 2.073 257 R HA -0.049 4.295 4.340 0.007 0.000 0.234 257 R C 2.342 178.669 176.300 0.045 0.000 1.134 257 R CA 1.306 57.401 56.100 -0.007 0.000 0.952 257 R CB -0.311 29.973 30.300 -0.026 0.000 0.850 257 R HN 0.090 nan 8.270 nan 0.000 0.433 258 A N 1.479 124.340 122.820 0.068 0.000 1.883 258 A HA -0.221 4.103 4.320 0.007 0.000 0.217 258 A C 1.693 179.323 177.584 0.076 0.000 1.186 258 A CA 1.847 53.931 52.037 0.078 0.000 0.624 258 A CB -0.505 18.548 19.000 0.087 0.000 0.822 258 A HN 0.205 nan 8.150 nan 0.000 0.444 259 D N -0.530 119.912 120.400 0.071 0.000 2.123 259 D HA -0.145 4.499 4.640 0.007 0.000 0.196 259 D C 1.862 178.220 176.300 0.097 0.000 0.992 259 D CA 1.515 55.560 54.000 0.075 0.000 0.833 259 D CB -0.304 40.529 40.800 0.055 0.000 0.954 259 D HN 0.353 nan 8.370 nan 0.000 0.455 260 L N 1.024 122.294 121.223 0.079 0.000 2.056 260 L HA -0.035 4.309 4.340 0.007 0.000 0.207 260 L C 2.155 179.107 176.870 0.137 0.000 1.078 260 L CA 1.711 56.616 54.840 0.107 0.000 0.749 260 L CB -0.829 41.268 42.059 0.062 0.000 0.901 260 L HN -0.062 nan 8.230 nan 0.000 0.433 261 A N 0.347 123.224 122.820 0.095 0.000 1.933 261 A HA -0.251 4.074 4.320 0.007 0.000 0.218 261 A C 2.262 179.883 177.584 0.062 0.000 1.175 261 A CA 2.034 54.117 52.037 0.078 0.000 0.628 261 A CB -0.599 18.442 19.000 0.069 0.000 0.814 261 A HN 0.688 nan 8.150 nan 0.000 0.444 262 K N -2.038 118.406 120.400 0.073 0.000 2.103 262 K HA -0.133 4.191 4.320 0.007 0.000 0.204 262 K C 2.001 178.619 176.600 0.031 0.000 1.052 262 K CA 1.404 57.719 56.287 0.047 0.000 0.945 262 K CB -0.613 31.921 32.500 0.058 0.000 0.722 262 K HN 0.375 nan 8.250 nan 0.000 0.443 263 Y N 2.180 122.478 120.300 -0.004 0.000 2.165 263 Y HA -0.157 4.397 4.550 0.007 0.000 0.286 263 Y C 1.858 177.739 175.900 -0.033 0.000 1.155 263 Y CA 1.407 59.498 58.100 -0.015 0.000 1.164 263 Y CB -0.118 38.335 38.460 -0.012 0.000 0.978 263 Y HN -0.026 nan 8.280 nan 0.000 0.513 264 I N -1.115 119.404 120.570 -0.084 0.000 2.226 264 I HA -0.370 3.804 4.170 0.007 0.000 0.245 264 I C 2.396 178.387 176.117 -0.211 0.000 1.100 264 I CA 1.288 62.488 61.300 -0.167 0.000 1.374 264 I CB -0.552 37.432 38.000 -0.027 0.000 1.057 264 I HN 0.347 nan 8.210 nan 0.000 0.413 265 c N 0.560 119.081 118.600 -0.131 0.000 2.440 265 c HA -0.097 4.477 4.570 0.007 0.000 0.278 265 c C 2.563 176.569 174.090 -0.140 0.000 1.295 265 c CA 0.564 56.828 56.329 -0.110 0.000 1.738 265 c CB -0.995 41.483 42.510 -0.053 0.000 1.987 265 c HN 0.483 nan 8.230 nan 0.000 0.492 266 E N 0.696 120.791 120.200 -0.175 0.000 2.204 266 E HA -0.105 4.249 4.350 0.007 0.000 0.194 266 E C 0.899 177.364 176.600 -0.225 0.000 0.989 266 E CA 0.821 57.118 56.400 -0.173 0.000 0.824 266 E CB -0.268 29.336 29.700 -0.160 0.000 0.756 266 E HN 0.755 nan 8.360 nan 0.000 0.477 267 N N 0.754 119.250 118.700 -0.339 0.000 2.275 267 N HA 0.014 4.759 4.740 0.007 0.000 0.236 267 N C 1.211 176.570 175.510 -0.252 0.000 1.154 267 N CA -0.192 52.668 53.050 -0.318 0.000 0.866 267 N CB 0.495 38.696 38.487 -0.477 0.000 1.093 267 N HN 0.124 nan 8.380 nan 0.000 0.515 268 Q N 1.842 121.515 119.800 -0.212 0.000 2.012 268 Q HA -0.258 4.086 4.340 0.007 0.000 0.211 268 Q C 0.817 176.724 176.000 -0.155 0.000 1.009 268 Q CA 1.983 57.678 55.803 -0.180 0.000 0.866 268 Q CB 0.067 28.729 28.738 -0.126 0.000 0.945 268 Q HN 0.312 nan 8.270 nan 0.000 0.414 269 D N -0.372 119.958 120.400 -0.116 0.000 2.228 269 D HA -0.126 4.518 4.640 0.007 0.000 0.203 269 D C 1.611 177.858 176.300 -0.088 0.000 0.988 269 D CA 1.318 55.266 54.000 -0.087 0.000 0.864 269 D CB -0.213 40.547 40.800 -0.066 0.000 0.928 269 D HN 0.176 nan 8.370 nan 0.000 0.469 270 S N -0.915 114.719 115.700 -0.110 0.000 2.631 270 S HA 0.131 4.605 4.470 0.007 0.000 0.217 270 S C 1.512 176.040 174.600 -0.120 0.000 0.958 270 S CA -0.193 57.951 58.200 -0.094 0.000 0.920 270 S CB 0.065 63.210 63.200 -0.091 0.000 0.776 270 S HN 0.166 nan 8.310 nan 0.000 0.517 271 I N -1.000 119.460 120.570 -0.184 0.000 3.878 271 I HA 0.322 4.497 4.170 0.007 0.000 0.273 271 I C 0.356 176.303 176.117 -0.283 0.000 1.165 271 I CA -0.097 61.021 61.300 -0.304 0.000 1.360 271 I CB 0.851 38.534 38.000 -0.528 0.000 1.539 271 I HN 0.231 nan 8.210 nan 0.000 0.447 272 S N -0.376 115.186 115.700 -0.230 0.000 2.558 272 S HA 0.202 4.676 4.470 0.007 0.000 0.277 272 S C 0.181 174.751 174.600 -0.050 0.000 1.143 272 S CA -0.082 58.075 58.200 -0.073 0.000 0.865 272 S CB 1.374 64.597 63.200 0.038 0.000 1.102 272 S HN 0.225 nan 8.310 nan 0.000 0.454 273 S N 2.656 118.351 115.700 -0.008 0.000 2.631 273 S HA 0.235 4.709 4.470 0.007 0.000 0.217 273 S C 0.780 175.381 174.600 0.000 0.000 0.958 273 S CA -0.193 57.999 58.200 -0.013 0.000 0.920 273 S CB -0.107 63.087 63.200 -0.010 0.000 0.776 273 S HN 0.567 nan 8.310 nan 0.000 0.517 274 K N 0.967 121.381 120.400 0.023 0.000 2.374 274 K HA 0.361 4.685 4.320 0.007 0.000 0.196 274 K C 1.054 177.673 176.600 0.032 0.000 1.023 274 K CA 0.079 56.385 56.287 0.032 0.000 1.103 274 K CB -0.062 32.472 32.500 0.056 0.000 0.848 274 K HN 0.437 nan 8.250 nan 0.000 0.528 275 L N 0.903 122.135 121.223 0.015 0.000 2.558 275 L HA -0.022 4.322 4.340 0.007 0.000 0.225 275 L C 2.670 179.536 176.870 -0.007 0.000 1.128 275 L CA 0.467 55.309 54.840 0.004 0.000 0.868 275 L CB -0.711 41.325 42.059 -0.040 0.000 1.006 275 L HN 0.078 nan 8.230 nan 0.000 0.454 276 K N 0.954 121.348 120.400 -0.010 0.000 2.015 276 K HA -0.280 4.045 4.320 0.007 0.000 0.216 276 K C 1.797 178.397 176.600 -0.000 0.000 1.052 276 K CA 2.241 58.522 56.287 -0.010 0.000 0.937 276 K CB -0.981 31.514 32.500 -0.008 0.000 0.719 276 K HN 0.466 nan 8.250 nan 0.000 0.446 277 E N -0.530 119.674 120.200 0.007 0.000 2.005 277 E HA -0.157 4.197 4.350 0.007 0.000 0.198 277 E C 2.349 178.960 176.600 0.019 0.000 1.010 277 E CA 1.500 57.908 56.400 0.014 0.000 0.825 277 E CB -0.516 29.195 29.700 0.018 0.000 0.769 277 E HN 0.625 nan 8.360 nan 0.000 0.456 278 c N 0.456 119.068 118.600 0.021 0.000 2.392 278 c HA -0.233 4.341 4.570 0.007 0.000 0.276 278 c C 2.766 176.870 174.090 0.024 0.000 1.212 278 c CA 0.537 56.882 56.329 0.027 0.000 1.791 278 c CB -0.981 41.545 42.510 0.026 0.000 2.063 278 c HN 0.610 nan 8.230 nan 0.000 0.481 279 c N 0.221 118.827 118.600 0.010 0.000 2.522 279 c HA 0.008 4.582 4.570 0.007 0.000 0.271 279 c C 2.058 176.152 174.090 0.007 0.000 1.425 279 c CA 0.521 56.853 56.329 0.004 0.000 1.751 279 c CB -1.540 40.961 42.510 -0.016 0.000 1.775 279 c HN 0.638 nan 8.230 nan 0.000 0.557 280 E N 0.193 120.400 120.200 0.012 0.000 2.481 280 E HA 0.066 4.420 4.350 0.007 0.000 0.198 280 E C 0.469 177.082 176.600 0.021 0.000 1.027 280 E CA 0.067 56.475 56.400 0.013 0.000 0.900 280 E CB 0.419 30.125 29.700 0.011 0.000 0.993 280 E HN 0.608 nan 8.360 nan 0.000 0.482 281 K N 2.247 122.665 120.400 0.029 0.000 2.126 281 K HA 0.198 4.523 4.320 0.007 0.000 0.257 281 K C -2.268 174.354 176.600 0.037 0.000 1.007 281 K CA -1.745 54.566 56.287 0.039 0.000 0.928 281 K CB 0.344 32.876 32.500 0.054 0.000 1.013 281 K HN -0.076 nan 8.250 nan 0.000 0.473 282 P HA -0.078 nan 4.420 nan 0.000 0.269 282 P C 0.751 178.074 177.300 0.038 0.000 1.215 282 P CA -0.194 62.924 63.100 0.031 0.000 0.780 282 P CB 0.576 32.292 31.700 0.027 0.000 0.898 283 L N 2.983 124.224 121.223 0.030 0.000 2.054 283 L HA -0.254 4.090 4.340 0.007 0.000 0.220 283 L C 2.224 179.125 176.870 0.052 0.000 1.081 283 L CA 2.026 56.888 54.840 0.037 0.000 0.780 283 L CB -1.555 40.517 42.059 0.021 0.000 0.893 283 L HN 0.335 nan 8.230 nan 0.000 0.438 284 L N -0.573 120.677 121.223 0.045 0.000 2.083 284 L HA -0.191 4.153 4.340 0.007 0.000 0.209 284 L C 2.364 179.281 176.870 0.078 0.000 1.083 284 L CA 1.993 56.866 54.840 0.054 0.000 0.752 284 L CB -0.501 41.581 42.059 0.038 0.000 0.899 284 L HN 0.480 nan 8.230 nan 0.000 0.433 285 E N -1.664 118.586 120.200 0.084 0.000 2.400 285 E HA -0.082 4.272 4.350 0.007 0.000 0.195 285 E C 1.865 178.536 176.600 0.118 0.000 1.012 285 E CA -0.054 56.413 56.400 0.112 0.000 0.875 285 E CB 0.140 29.913 29.700 0.121 0.000 0.859 285 E HN 0.393 nan 8.360 nan 0.000 0.498 286 K N 1.159 121.613 120.400 0.090 0.000 2.001 286 K HA -0.244 4.081 4.320 0.007 0.000 0.223 286 K C 2.500 179.149 176.600 0.081 0.000 1.055 286 K CA 2.277 58.609 56.287 0.075 0.000 0.965 286 K CB -0.343 32.194 32.500 0.062 0.000 0.730 286 K HN 0.115 nan 8.250 nan 0.000 0.449 287 S N 0.209 115.966 115.700 0.095 0.000 2.374 287 S HA -0.278 4.196 4.470 0.007 0.000 0.227 287 S C 2.018 176.672 174.600 0.089 0.000 1.037 287 S CA 1.928 60.183 58.200 0.092 0.000 1.024 287 S CB -0.711 62.550 63.200 0.101 0.000 0.861 287 S HN 0.460 nan 8.310 nan 0.000 0.456 288 H N 0.628 119.702 119.070 0.007 0.000 2.321 288 H HA -0.056 4.504 4.556 0.007 0.000 0.300 288 H C 2.550 177.832 175.328 -0.077 0.000 1.087 288 H CA 1.831 57.840 56.048 -0.065 0.000 1.319 288 H CB -1.055 28.613 29.762 -0.158 0.000 1.379 288 H HN 0.555 nan 8.280 nan 0.000 0.501 289 c N -0.001 118.576 118.600 -0.038 0.000 2.413 289 c HA -0.117 4.457 4.570 0.007 0.000 0.277 289 c C 2.840 176.889 174.090 -0.069 0.000 1.228 289 c CA 1.212 57.498 56.329 -0.072 0.000 1.731 289 c CB -1.400 41.126 42.510 0.027 0.000 2.042 289 c HN 0.701 nan 8.230 nan 0.000 0.468 290 I N 1.547 122.113 120.570 -0.006 0.000 2.208 290 I HA -0.205 3.970 4.170 0.007 0.000 0.245 290 I C 2.770 178.897 176.117 0.016 0.000 1.097 290 I CA 1.707 63.029 61.300 0.037 0.000 1.363 290 I CB -0.582 37.462 38.000 0.073 0.000 1.051 290 I HN 0.434 nan 8.210 nan 0.000 0.413 291 A N -0.252 122.547 122.820 -0.035 0.000 2.125 291 A HA -0.168 4.156 4.320 0.007 0.000 0.219 291 A C 1.990 179.507 177.584 -0.111 0.000 1.156 291 A CA 1.496 53.503 52.037 -0.051 0.000 0.671 291 A CB -0.392 18.575 19.000 -0.056 0.000 0.794 291 A HN 0.512 nan 8.150 nan 0.000 0.459 292 E N -1.069 119.036 120.200 -0.157 0.000 2.562 292 E HA 0.174 4.528 4.350 0.007 0.000 0.214 292 E C -0.178 176.364 176.600 -0.097 0.000 0.979 292 E CA -0.352 55.956 56.400 -0.153 0.000 1.002 292 E CB 0.764 30.328 29.700 -0.228 0.000 1.048 292 E HN 0.275 nan 8.360 nan 0.000 0.488 293 V N 2.073 121.952 119.914 -0.058 0.000 2.814 293 V HA -0.095 4.029 4.120 0.007 0.000 0.307 293 V C 0.297 176.361 176.094 -0.050 0.000 1.089 293 V CA 0.634 62.922 62.300 -0.019 0.000 1.212 293 V CB 1.008 32.869 31.823 0.062 0.000 0.912 293 V HN 0.197 nan 8.190 nan 0.000 0.497 294 E N 4.799 124.976 120.200 -0.038 0.000 2.374 294 E HA 0.165 4.520 4.350 0.007 0.000 0.260 294 E C -0.035 176.526 176.600 -0.065 0.000 1.101 294 E CA -0.664 55.699 56.400 -0.062 0.000 0.907 294 E CB 0.498 30.168 29.700 -0.049 0.000 1.014 294 E HN 0.836 nan 8.360 nan 0.000 0.427 295 N N 2.922 121.563 118.700 -0.100 0.000 2.454 295 N HA -0.054 4.690 4.740 0.007 0.000 0.260 295 N C -0.515 174.966 175.510 -0.049 0.000 1.218 295 N CA 0.222 53.207 53.050 -0.109 0.000 0.904 295 N CB 0.443 38.852 38.487 -0.130 0.000 1.065 295 N HN 0.485 nan 8.380 nan 0.000 0.462 296 D N 1.029 121.427 120.400 -0.003 0.000 2.358 296 D HA 0.050 4.694 4.640 0.007 0.000 0.244 296 D C -0.241 176.048 176.300 -0.019 0.000 1.163 296 D CA -0.069 53.946 54.000 0.025 0.000 0.945 296 D CB 0.757 41.612 40.800 0.092 0.000 1.152 296 D HN 0.330 nan 8.370 nan 0.000 0.451 297 E N 0.848 121.034 120.200 -0.022 0.000 2.354 297 E HA 0.201 4.556 4.350 0.007 0.000 0.269 297 E C 0.087 176.657 176.600 -0.049 0.000 1.036 297 E CA -0.346 56.028 56.400 -0.044 0.000 0.876 297 E CB 0.987 30.663 29.700 -0.039 0.000 1.009 297 E HN 0.436 nan 8.360 nan 0.000 0.416 298 M N 0.912 120.465 119.600 -0.077 0.000 2.255 298 M HA 0.283 4.767 4.480 0.007 0.000 0.336 298 M C -1.954 174.301 176.300 -0.074 0.000 1.135 298 M CA -1.588 53.658 55.300 -0.090 0.000 1.145 298 M CB 0.317 32.833 32.600 -0.141 0.000 1.473 298 M HN 0.083 nan 8.290 nan 0.000 0.462 299 P HA -0.209 nan 4.420 nan 0.000 0.218 299 P C 0.944 178.210 177.300 -0.057 0.000 1.146 299 P CA 2.688 65.757 63.100 -0.051 0.000 0.820 299 P CB -0.039 31.634 31.700 -0.045 0.000 0.778 300 A N -2.163 120.611 122.820 -0.077 0.000 4.320 300 A HA -0.344 3.980 4.320 0.007 0.000 0.253 300 A C 1.269 178.815 177.584 -0.064 0.000 0.699 300 A CA 2.212 54.205 52.037 -0.074 0.000 1.188 300 A CB -2.700 16.265 19.000 -0.058 0.000 1.126 300 A HN 0.430 nan 8.150 nan 0.000 0.699 301 D N 0.157 120.526 120.400 -0.052 0.000 3.133 301 D HA 0.609 5.253 4.640 0.007 0.000 0.288 301 D C -0.121 176.153 176.300 -0.044 0.000 1.346 301 D CA 0.347 54.322 54.000 -0.042 0.000 0.934 301 D CB -0.330 40.452 40.800 -0.029 0.000 1.042 301 D HN 0.698 nan 8.370 nan 0.000 0.506 302 L N 0.114 121.300 121.223 -0.061 0.000 2.322 302 L HA 0.555 4.899 4.340 0.007 0.000 0.279 302 L C -1.638 175.200 176.870 -0.054 0.000 1.036 302 L CA -1.725 53.077 54.840 -0.064 0.000 0.807 302 L CB 1.480 43.477 42.059 -0.103 0.000 1.226 302 L HN 0.188 nan 8.230 nan 0.000 0.433 303 P HA 0.027 nan 4.420 nan 0.000 0.278 303 P C -0.713 176.573 177.300 -0.023 0.000 1.270 303 P CA -0.390 62.698 63.100 -0.021 0.000 0.800 303 P CB 0.423 32.120 31.700 -0.005 0.000 1.142 304 S N -0.728 114.970 115.700 -0.004 0.000 2.480 304 S HA 0.228 4.702 4.470 0.007 0.000 0.286 304 S C 1.207 175.844 174.600 0.061 0.000 1.180 304 S CA -0.686 57.521 58.200 0.011 0.000 1.075 304 S CB -0.172 63.031 63.200 0.006 0.000 0.996 304 S HN 0.344 nan 8.310 nan 0.000 0.487 305 L N 4.308 125.598 121.223 0.111 0.000 2.079 305 L HA -0.103 4.241 4.340 0.007 0.000 0.210 305 L C 2.903 179.964 176.870 0.320 0.000 1.081 305 L CA 1.561 56.576 54.840 0.293 0.000 0.752 305 L CB -0.878 41.357 42.059 0.294 0.000 0.896 305 L HN 0.882 nan 8.230 nan 0.000 0.433 306 A N 0.254 123.109 122.820 0.059 0.000 1.958 306 A HA -0.288 4.036 4.320 0.007 0.000 0.221 306 A C 2.520 180.085 177.584 -0.032 0.000 1.178 306 A CA 2.039 53.964 52.037 -0.186 0.000 0.642 306 A CB -0.722 18.115 19.000 -0.271 0.000 0.816 306 A HN 0.452 nan 8.150 nan 0.000 0.453 307 A N 0.147 122.969 122.820 0.002 0.000 1.837 307 A HA -0.244 4.080 4.320 0.007 0.000 0.216 307 A C 1.782 179.345 177.584 -0.034 0.000 1.210 307 A CA 1.866 53.896 52.037 -0.011 0.000 0.632 307 A CB -0.859 18.133 19.000 -0.013 0.000 0.843 307 A HN 0.485 nan 8.150 nan 0.000 0.448 308 D N -1.509 118.818 120.400 -0.121 0.000 2.310 308 D HA -0.021 4.623 4.640 0.007 0.000 0.212 308 D C 1.030 177.025 176.300 -0.509 0.000 0.965 308 D CA 0.990 54.771 54.000 -0.365 0.000 0.879 308 D CB -0.129 40.293 40.800 -0.630 0.000 0.921 308 D HN 0.546 nan 8.370 nan 0.000 0.510 309 F N -0.943 119.126 119.950 0.199 0.000 2.728 309 F HA 0.104 4.635 4.527 0.007 0.000 0.314 309 F C 1.769 177.722 175.800 0.255 0.000 1.094 309 F CA -0.140 58.038 58.000 0.296 0.000 1.217 309 F CB 0.715 39.897 39.000 0.303 0.000 1.056 309 F HN -0.215 nan 8.300 nan 0.000 0.577 310 V N -1.419 118.642 119.914 0.245 0.000 3.279 310 V HA 0.041 4.165 4.120 0.007 0.000 0.213 310 V C 1.645 177.878 176.094 0.231 0.000 1.335 310 V CA 0.328 62.765 62.300 0.228 0.000 1.317 310 V CB -0.002 31.812 31.823 -0.014 0.000 1.209 310 V HN -0.026 nan 8.190 nan 0.000 0.525 311 E N 0.910 121.164 120.200 0.091 0.000 2.107 311 E HA -0.037 4.317 4.350 0.007 0.000 0.191 311 E C 1.274 177.922 176.600 0.080 0.000 0.982 311 E CA 0.930 57.368 56.400 0.064 0.000 0.809 311 E CB 0.019 29.723 29.700 0.007 0.000 0.756 311 E HN 0.416 nan 8.360 nan 0.000 0.459 312 S N 0.402 116.145 115.700 0.070 0.000 2.559 312 S HA 0.224 4.698 4.470 0.007 0.000 0.282 312 S C -0.026 174.629 174.600 0.092 0.000 1.336 312 S CA 0.128 58.360 58.200 0.054 0.000 1.037 312 S CB 0.494 63.704 63.200 0.016 0.000 0.853 312 S HN 0.204 nan 8.310 nan 0.000 0.523 313 K N 1.652 122.088 120.400 0.060 0.000 2.098 313 K HA 0.496 4.820 4.320 0.007 0.000 0.258 313 K C 0.326 176.951 176.600 0.041 0.000 0.973 313 K CA -0.008 56.318 56.287 0.065 0.000 0.898 313 K CB -0.008 32.514 32.500 0.037 0.000 1.057 313 K HN 0.795 nan 8.250 nan 0.000 0.447 314 D N -0.164 120.257 120.400 0.036 0.000 3.059 314 D HA -0.159 4.485 4.640 0.007 0.000 0.208 314 D C 1.054 177.319 176.300 -0.058 0.000 1.079 314 D CA 1.040 55.035 54.000 -0.007 0.000 0.986 314 D CB -1.844 38.949 40.800 -0.011 0.000 1.090 314 D HN 0.269 nan 8.370 nan 0.000 0.428 315 V N 0.075 119.968 119.914 -0.035 0.000 2.270 315 V HA -0.291 3.833 4.120 0.007 0.000 0.245 315 V C 2.672 178.600 176.094 -0.276 0.000 1.043 315 V CA 2.281 64.497 62.300 -0.140 0.000 1.014 315 V CB -0.264 31.500 31.823 -0.099 0.000 0.645 315 V HN 0.517 nan 8.190 nan 0.000 0.447 316 c N -0.364 118.162 118.600 -0.122 0.000 2.422 316 c HA -0.153 4.421 4.570 0.007 0.000 0.279 316 c C 2.742 176.797 174.090 -0.058 0.000 1.305 316 c CA 1.496 57.795 56.329 -0.050 0.000 1.757 316 c CB -0.979 41.559 42.510 0.048 0.000 1.962 316 c HN 0.612 nan 8.230 nan 0.000 0.499 317 K N 1.053 121.404 120.400 -0.082 0.000 2.062 317 K HA -0.103 4.221 4.320 0.007 0.000 0.205 317 K C 1.670 178.188 176.600 -0.137 0.000 1.051 317 K CA 1.547 57.785 56.287 -0.080 0.000 0.941 317 K CB -0.326 32.144 32.500 -0.050 0.000 0.719 317 K HN 0.596 nan 8.250 nan 0.000 0.440 318 N N -0.739 117.820 118.700 -0.236 0.000 2.244 318 N HA -0.178 4.566 4.740 0.007 0.000 0.183 318 N C 1.687 176.951 175.510 -0.410 0.000 1.016 318 N CA 0.862 53.732 53.050 -0.299 0.000 0.866 318 N CB -0.114 38.151 38.487 -0.371 0.000 0.980 318 N HN 0.207 nan 8.380 nan 0.000 0.430 319 Y N 1.796 121.646 120.300 -0.751 0.000 2.184 319 Y HA -0.009 4.546 4.550 0.009 0.000 0.290 319 Y C 2.302 178.094 175.900 -0.180 0.000 1.129 319 Y CA 1.167 58.958 58.100 -0.515 0.000 1.144 319 Y CB -0.527 37.652 38.460 -0.469 0.000 0.995 319 Y HN -0.014 nan 8.280 nan 0.000 0.513 320 A N 0.137 122.805 122.820 -0.253 0.000 1.933 320 A HA -0.208 4.116 4.320 0.007 0.000 0.218 320 A C 2.218 179.686 177.584 -0.194 0.000 1.175 320 A CA 1.709 53.585 52.037 -0.269 0.000 0.628 320 A CB -0.889 18.037 19.000 -0.124 0.000 0.814 320 A HN 0.635 nan 8.150 nan 0.000 0.444 321 E N -0.690 119.432 120.200 -0.131 0.000 2.160 321 E HA 0.012 4.366 4.350 0.007 0.000 0.195 321 E C 0.331 176.902 176.600 -0.049 0.000 0.991 321 E CA 0.967 57.324 56.400 -0.071 0.000 0.810 321 E CB -0.080 29.595 29.700 -0.042 0.000 0.742 321 E HN 0.541 nan 8.360 nan 0.000 0.466 322 A N 0.069 122.858 122.820 -0.052 0.000 2.770 322 A HA 0.187 4.511 4.320 0.007 0.000 0.295 322 A C 0.168 177.772 177.584 0.034 0.000 1.256 322 A CA -0.616 51.425 52.037 0.008 0.000 0.870 322 A CB 0.475 19.523 19.000 0.081 0.000 1.451 322 A HN 0.033 nan 8.150 nan 0.000 0.505 323 K N 0.416 120.747 120.400 -0.115 0.000 2.015 323 K HA -0.205 4.119 4.320 0.007 0.000 0.216 323 K C 0.853 177.574 176.600 0.201 0.000 1.052 323 K CA 2.146 58.353 56.287 -0.133 0.000 0.937 323 K CB -0.014 32.286 32.500 -0.334 0.000 0.719 323 K HN 0.653 nan 8.250 nan 0.000 0.446 324 D N 0.439 120.931 120.400 0.154 0.000 2.144 324 D HA -0.116 4.528 4.640 0.007 0.000 0.199 324 D C 2.008 178.463 176.300 0.258 0.000 0.984 324 D CA 0.848 54.970 54.000 0.204 0.000 0.834 324 D CB -0.216 40.675 40.800 0.152 0.000 0.955 324 D HN -0.036 nan 8.370 nan 0.000 0.465 325 V N 0.659 120.727 119.914 0.257 0.000 2.307 325 V HA -0.216 3.908 4.120 0.007 0.000 0.245 325 V C 2.152 178.427 176.094 0.303 0.000 1.045 325 V CA 1.153 63.638 62.300 0.308 0.000 1.024 325 V CB -0.525 31.462 31.823 0.273 0.000 0.651 325 V HN 0.070 nan 8.190 nan 0.000 0.449 326 F N 0.359 120.432 119.950 0.206 0.000 2.102 326 F HA -0.159 4.371 4.527 0.005 0.000 0.298 326 F C 2.073 178.078 175.800 0.341 0.000 1.105 326 F CA 1.613 59.775 58.000 0.269 0.000 1.239 326 F CB -0.284 38.928 39.000 0.353 0.000 0.991 326 F HN 0.009 nan 8.300 nan 0.000 0.474 327 L N -0.547 120.926 121.223 0.416 0.000 2.083 327 L HA -0.149 4.196 4.340 0.007 0.000 0.209 327 L C 2.743 179.757 176.870 0.241 0.000 1.083 327 L CA 1.264 56.296 54.840 0.319 0.000 0.752 327 L CB -1.491 40.767 42.059 0.332 0.000 0.899 327 L HN 0.314 nan 8.230 nan 0.000 0.433 328 G N -0.627 108.319 108.800 0.242 0.000 2.418 328 G HA2 -0.285 3.679 3.960 0.007 0.000 0.217 328 G HA3 -0.285 3.679 3.960 0.007 0.000 0.217 328 G C 1.650 176.662 174.900 0.186 0.000 1.158 328 G CA 0.562 45.836 45.100 0.290 0.000 0.771 328 G HN 0.177 nan 8.290 nan 0.000 0.545 329 M N -0.710 118.788 119.600 -0.171 0.000 2.117 329 M HA 0.032 4.516 4.480 0.007 0.000 0.262 329 M C 2.206 178.433 176.300 -0.122 0.000 1.065 329 M CA 1.282 56.292 55.300 -0.485 0.000 1.114 329 M CB -0.186 32.107 32.600 -0.512 0.000 1.361 329 M HN 0.287 nan 8.290 nan 0.000 0.408 330 F N 0.434 120.157 119.950 -0.378 0.000 2.134 330 F HA -0.221 4.310 4.527 0.006 0.000 0.299 330 F C 1.819 177.389 175.800 -0.383 0.000 1.097 330 F CA 1.589 59.137 58.000 -0.753 0.000 1.264 330 F CB -0.318 38.259 39.000 -0.705 0.000 1.001 330 F HN 0.014 nan 8.300 nan 0.000 0.479 331 L N -0.907 120.240 121.223 -0.128 0.000 2.017 331 L HA -0.262 4.082 4.340 0.007 0.000 0.208 331 L C 2.496 179.299 176.870 -0.112 0.000 1.073 331 L CA 1.826 56.585 54.840 -0.136 0.000 0.745 331 L CB -0.863 41.216 42.059 0.034 0.000 0.894 331 L HN 0.332 nan 8.230 nan 0.000 0.432 332 Y N 1.024 121.275 120.300 -0.082 0.000 2.081 332 Y HA -0.316 4.238 4.550 0.007 0.000 0.280 332 Y C 2.569 178.403 175.900 -0.109 0.000 1.163 332 Y CA 1.909 60.006 58.100 -0.005 0.000 1.135 332 Y CB -0.260 38.331 38.460 0.218 0.000 0.970 332 Y HN 0.163 nan 8.280 nan 0.000 0.498 333 E N -0.737 119.257 120.200 -0.345 0.000 2.077 333 E HA -0.244 4.110 4.350 0.007 0.000 0.193 333 E C 2.125 178.430 176.600 -0.492 0.000 0.989 333 E CA 1.577 57.696 56.400 -0.468 0.000 0.800 333 E CB -0.877 28.683 29.700 -0.233 0.000 0.746 333 E HN 0.622 nan 8.360 nan 0.000 0.452 334 Y N 1.002 120.910 120.300 -0.654 0.000 2.184 334 Y HA -0.094 4.461 4.550 0.009 0.000 0.290 334 Y C 2.356 178.011 175.900 -0.407 0.000 1.129 334 Y CA 1.226 58.971 58.100 -0.592 0.000 1.144 334 Y CB -0.440 37.487 38.460 -0.888 0.000 0.995 334 Y HN 0.014 nan 8.280 nan 0.000 0.513 335 A N 0.843 123.563 122.820 -0.165 0.000 1.930 335 A HA -0.200 4.125 4.320 0.007 0.000 0.217 335 A C 2.201 179.637 177.584 -0.246 0.000 1.175 335 A CA 1.760 53.694 52.037 -0.172 0.000 0.627 335 A CB -0.705 18.188 19.000 -0.178 0.000 0.815 335 A HN 0.601 nan 8.150 nan 0.000 0.443 336 R N -0.694 119.605 120.500 -0.336 0.000 2.280 336 R HA 0.029 4.373 4.340 0.007 0.000 0.207 336 R C 1.456 177.544 176.300 -0.354 0.000 1.043 336 R CA 1.227 57.124 56.100 -0.338 0.000 1.006 336 R CB -0.253 29.795 30.300 -0.420 0.000 0.885 336 R HN 0.421 nan 8.270 nan 0.000 0.467 337 R N -0.190 120.049 120.500 -0.435 0.000 2.362 337 R HA 0.160 4.505 4.340 0.007 0.000 0.227 337 R C -0.150 175.624 176.300 -0.876 0.000 0.905 337 R CA 0.086 55.831 56.100 -0.591 0.000 1.067 337 R CB 0.476 30.382 30.300 -0.657 0.000 1.078 337 R HN 0.293 nan 8.270 nan 0.000 0.516 338 H N -0.160 118.662 119.070 -0.413 0.000 2.488 338 H HA 0.192 4.754 4.556 0.010 0.000 0.237 338 H C -2.215 172.885 175.328 -0.380 0.000 1.395 338 H CA -1.941 53.778 56.048 -0.549 0.000 1.491 338 H CB 1.667 30.811 29.762 -1.029 0.000 1.567 338 H HN -0.050 nan 8.280 nan 0.000 0.508 339 P HA -0.060 nan 4.420 nan 0.000 0.231 339 P C 1.228 178.485 177.300 -0.071 0.000 1.168 339 P CA 0.644 63.659 63.100 -0.142 0.000 0.779 339 P CB 0.437 32.048 31.700 -0.149 0.000 0.844 340 D N -2.361 118.019 120.400 -0.033 0.000 2.355 340 D HA -0.099 4.545 4.640 0.007 0.000 0.218 340 D C 0.197 176.642 176.300 0.242 0.000 1.004 340 D CA 0.366 54.412 54.000 0.076 0.000 0.880 340 D CB -0.449 40.409 40.800 0.098 0.000 0.911 340 D HN 0.104 nan 8.370 nan 0.000 0.528 341 Y N 1.917 122.196 120.300 -0.035 0.000 2.354 341 Y HA 0.307 4.864 4.550 0.011 0.000 0.322 341 Y C 1.319 177.158 175.900 -0.102 0.000 1.253 341 Y CA -2.366 55.685 58.100 -0.082 0.000 1.272 341 Y CB 1.173 39.560 38.460 -0.122 0.000 1.255 341 Y HN -0.122 nan 8.280 nan 0.000 0.500 342 S N -0.326 115.394 115.700 0.033 0.000 2.614 342 S HA 0.272 4.746 4.470 0.007 0.000 0.265 342 S C 0.911 175.475 174.600 -0.062 0.000 1.303 342 S CA -0.720 57.464 58.200 -0.028 0.000 1.000 342 S CB 1.030 64.205 63.200 -0.041 0.000 0.935 342 S HN 0.371 nan 8.310 nan 0.000 0.551 343 V N 1.532 121.382 119.914 -0.107 0.000 2.427 343 V HA -0.114 4.010 4.120 0.007 0.000 0.248 343 V C 2.469 178.493 176.094 -0.116 0.000 1.051 343 V CA 1.631 63.815 62.300 -0.193 0.000 1.048 343 V CB -0.812 30.771 31.823 -0.400 0.000 0.666 343 V HN 0.808 nan 8.190 nan 0.000 0.456 344 V N 0.038 119.930 119.914 -0.038 0.000 2.594 344 V HA -0.181 3.943 4.120 0.007 0.000 0.253 344 V C 2.254 178.289 176.094 -0.097 0.000 1.069 344 V CA 2.143 64.425 62.300 -0.030 0.000 1.082 344 V CB 0.018 31.839 31.823 -0.004 0.000 0.680 344 V HN 0.531 nan 8.190 nan 0.000 0.469 345 L N -0.126 121.017 121.223 -0.133 0.000 2.027 345 L HA -0.044 4.300 4.340 0.007 0.000 0.206 345 L C 2.176 178.894 176.870 -0.253 0.000 1.074 345 L CA 2.062 56.773 54.840 -0.215 0.000 0.745 345 L CB -0.716 41.160 42.059 -0.305 0.000 0.898 345 L HN 0.305 nan 8.230 nan 0.000 0.433 346 L N -1.017 120.082 121.223 -0.206 0.000 2.079 346 L HA -0.250 4.094 4.340 0.007 0.000 0.210 346 L C 2.530 179.250 176.870 -0.251 0.000 1.081 346 L CA 1.288 55.968 54.840 -0.267 0.000 0.752 346 L CB -0.543 41.397 42.059 -0.199 0.000 0.896 346 L HN 0.323 nan 8.230 nan 0.000 0.433 347 L N -0.900 120.227 121.223 -0.160 0.000 2.141 347 L HA -0.184 4.160 4.340 0.007 0.000 0.209 347 L C 2.767 179.575 176.870 -0.103 0.000 1.094 347 L CA 1.128 55.909 54.840 -0.098 0.000 0.763 347 L CB -0.480 41.552 42.059 -0.046 0.000 0.908 347 L HN 0.240 nan 8.230 nan 0.000 0.437 348 R N 0.029 120.445 120.500 -0.139 0.000 2.075 348 R HA -0.109 4.235 4.340 0.007 0.000 0.232 348 R C 2.305 178.510 176.300 -0.157 0.000 1.126 348 R CA 1.066 57.092 56.100 -0.124 0.000 0.963 348 R CB -0.312 29.908 30.300 -0.133 0.000 0.858 348 R HN 0.307 nan 8.270 nan 0.000 0.435 349 L N 0.105 121.134 121.223 -0.322 0.000 2.046 349 L HA -0.159 4.185 4.340 0.007 0.000 0.208 349 L C 2.705 179.437 176.870 -0.229 0.000 1.077 349 L CA 1.307 55.810 54.840 -0.563 0.000 0.747 349 L CB -0.644 40.746 42.059 -1.116 0.000 0.896 349 L HN 0.248 nan 8.230 nan 0.000 0.432 350 A N 0.271 123.035 122.820 -0.093 0.000 1.877 350 A HA -0.255 4.069 4.320 0.007 0.000 0.216 350 A C 2.313 179.941 177.584 0.074 0.000 1.186 350 A CA 2.043 54.140 52.037 0.101 0.000 0.620 350 A CB -0.426 18.634 19.000 0.100 0.000 0.822 350 A HN 0.240 nan 8.150 nan 0.000 0.443 351 K N -0.319 120.099 120.400 0.030 0.000 2.097 351 K HA -0.083 4.241 4.320 0.007 0.000 0.206 351 K C 1.892 178.523 176.600 0.052 0.000 1.049 351 K CA 2.292 58.601 56.287 0.037 0.000 0.933 351 K CB -0.939 31.569 32.500 0.014 0.000 0.717 351 K HN 0.386 nan 8.250 nan 0.000 0.442 352 T N -0.204 114.399 114.554 0.082 0.000 2.821 352 T HA -0.120 4.234 4.350 0.007 0.000 0.267 352 T C 1.279 176.095 174.700 0.193 0.000 1.046 352 T CA 1.321 63.512 62.100 0.151 0.000 1.139 352 T CB -0.465 68.555 68.868 0.255 0.000 0.871 352 T HN 0.301 nan 8.240 nan 0.000 0.454 353 Y N 1.750 122.077 120.300 0.046 0.000 2.314 353 Y HA 0.025 4.577 4.550 0.003 0.000 0.293 353 Y C 2.398 178.178 175.900 -0.200 0.000 1.129 353 Y CA 1.076 59.109 58.100 -0.113 0.000 1.201 353 Y CB -0.141 38.013 38.460 -0.511 0.000 0.999 353 Y HN 0.262 nan 8.280 nan 0.000 0.541 354 E N -1.043 119.065 120.200 -0.153 0.000 2.046 354 E HA -0.159 4.195 4.350 0.007 0.000 0.190 354 E C 1.824 178.345 176.600 -0.130 0.000 0.982 354 E CA 1.641 57.933 56.400 -0.179 0.000 0.800 354 E CB -0.115 29.594 29.700 0.015 0.000 0.756 354 E HN 0.382 nan 8.360 nan 0.000 0.449 355 T N 0.122 114.645 114.554 -0.051 0.000 2.833 355 T HA -0.099 4.255 4.350 0.007 0.000 0.269 355 T C 1.730 176.400 174.700 -0.049 0.000 1.054 355 T CA 1.629 63.716 62.100 -0.021 0.000 1.135 355 T CB -0.231 68.643 68.868 0.010 0.000 0.869 355 T HN 0.215 nan 8.240 nan 0.000 0.466 356 T N 1.924 116.421 114.554 -0.094 0.000 2.851 356 T HA 0.173 4.527 4.350 0.007 0.000 0.262 356 T C 1.945 176.552 174.700 -0.155 0.000 1.043 356 T CA 0.582 62.628 62.100 -0.089 0.000 1.140 356 T CB -0.219 68.615 68.868 -0.057 0.000 0.872 356 T HN 0.252 nan 8.240 nan 0.000 0.446 357 L N 0.854 121.854 121.223 -0.372 0.000 2.093 357 L HA -0.042 4.303 4.340 0.007 0.000 0.208 357 L C 2.839 179.617 176.870 -0.152 0.000 1.085 357 L CA 1.027 55.601 54.840 -0.444 0.000 0.755 357 L CB -0.487 40.942 42.059 -1.050 0.000 0.904 357 L HN 0.169 nan 8.230 nan 0.000 0.435 358 E N 0.733 120.893 120.200 -0.066 0.000 2.118 358 E HA -0.236 4.118 4.350 0.007 0.000 0.195 358 E C 2.408 179.032 176.600 0.040 0.000 0.992 358 E CA 1.908 58.347 56.400 0.066 0.000 0.804 358 E CB -0.087 29.654 29.700 0.069 0.000 0.741 358 E HN 0.539 nan 8.360 nan 0.000 0.458 359 K N 0.456 120.863 120.400 0.013 0.000 2.044 359 K HA -0.014 4.310 4.320 0.007 0.000 0.204 359 K C 2.364 178.984 176.600 0.033 0.000 1.045 359 K CA 1.145 57.444 56.287 0.021 0.000 0.951 359 K CB -1.180 31.329 32.500 0.015 0.000 0.738 359 K HN 0.175 nan 8.250 nan 0.000 0.443 360 c N 0.074 118.701 118.600 0.045 0.000 2.435 360 c HA -0.044 4.531 4.570 0.007 0.000 0.279 360 c C 2.738 176.898 174.090 0.118 0.000 1.321 360 c CA 0.571 56.958 56.329 0.096 0.000 1.752 360 c CB -0.980 41.655 42.510 0.208 0.000 1.959 360 c HN 0.747 nan 8.230 nan 0.000 0.500 361 c N 0.859 119.517 118.600 0.097 0.000 2.491 361 c HA 0.161 4.736 4.570 0.007 0.000 0.277 361 c C 2.408 176.540 174.090 0.071 0.000 1.455 361 c CA 0.856 57.246 56.329 0.102 0.000 1.758 361 c CB -1.761 40.812 42.510 0.106 0.000 1.745 361 c HN 0.696 nan 8.230 nan 0.000 0.558 362 A N -0.391 122.462 122.820 0.056 0.000 2.423 362 A HA 0.678 5.002 4.320 0.007 0.000 0.246 362 A C 0.813 178.413 177.584 0.026 0.000 1.278 362 A CA 0.493 52.552 52.037 0.037 0.000 0.903 362 A CB -0.116 18.903 19.000 0.033 0.000 0.997 362 A HN 0.458 nan 8.150 nan 0.000 0.510 363 A N -1.488 121.348 122.820 0.028 0.000 2.330 363 A HA 0.748 5.072 4.320 0.007 0.000 0.329 363 A C 1.373 178.959 177.584 0.004 0.000 1.135 363 A CA 0.056 52.100 52.037 0.012 0.000 0.817 363 A CB 0.480 19.483 19.000 0.005 0.000 1.269 363 A HN 1.083 nan 8.150 nan 0.000 0.469 364 A N 0.612 123.428 122.820 -0.005 0.000 1.870 364 A HA -0.177 4.147 4.320 0.007 0.000 0.219 364 A C 0.928 178.501 177.584 -0.019 0.000 1.286 364 A CA 2.513 54.544 52.037 -0.011 0.000 0.682 364 A CB -0.795 18.196 19.000 -0.015 0.000 0.844 364 A HN 0.863 nan 8.150 nan 0.000 0.460 365 D N -1.306 119.072 120.400 -0.038 0.000 2.485 365 D HA 0.453 5.097 4.640 0.007 0.000 0.229 365 D C -1.810 174.426 176.300 -0.107 0.000 1.101 365 D CA -2.065 51.898 54.000 -0.062 0.000 0.906 365 D CB 1.017 41.775 40.800 -0.070 0.000 1.019 365 D HN 0.004 nan 8.370 nan 0.000 0.516 366 P HA -0.227 nan 4.420 nan 0.000 0.213 366 P C 1.562 178.475 177.300 -0.644 0.000 1.176 366 P CA 2.772 65.807 63.100 -0.108 0.000 0.919 366 P CB -0.053 31.737 31.700 0.150 0.000 0.791 367 H N -1.072 117.600 119.070 -0.663 0.000 2.330 367 H HA -0.232 4.328 4.556 0.007 0.000 0.290 367 H C 2.081 176.997 175.328 -0.687 0.000 1.111 367 H CA 3.190 58.706 56.048 -0.888 0.000 1.226 367 H CB -1.738 27.845 29.762 -0.299 0.000 1.355 367 H HN 0.331 nan 8.280 nan 0.000 0.485 368 E N -0.303 119.671 120.200 -0.377 0.000 2.058 368 E HA -0.167 4.187 4.350 0.007 0.000 0.194 368 E C 2.830 179.297 176.600 -0.221 0.000 0.997 368 E CA 1.564 57.824 56.400 -0.232 0.000 0.801 368 E CB -1.601 28.013 29.700 -0.142 0.000 0.746 368 E HN 0.948 nan 8.360 nan 0.000 0.450 369 c N 0.318 118.777 118.600 -0.235 0.000 2.432 369 c HA -0.093 4.481 4.570 0.007 0.000 0.277 369 c C 2.516 176.570 174.090 -0.060 0.000 1.249 369 c CA 1.459 57.715 56.329 -0.121 0.000 1.725 369 c CB -1.158 41.313 42.510 -0.066 0.000 2.028 369 c HN 0.848 nan 8.230 nan 0.000 0.477 370 Y N 0.391 120.683 120.300 -0.013 0.000 2.493 370 Y HA 0.639 5.191 4.550 0.004 0.000 0.275 370 Y C 1.696 177.607 175.900 0.019 0.000 1.183 370 Y CA -0.058 58.040 58.100 -0.004 0.000 1.258 370 Y CB -1.433 37.016 38.460 -0.018 0.000 1.108 370 Y HN 0.175 nan 8.280 nan 0.000 0.521 371 A N 1.324 124.126 122.820 -0.031 0.000 2.070 371 A HA 0.009 4.333 4.320 0.007 0.000 0.220 371 A C 2.020 179.634 177.584 0.049 0.000 1.159 371 A CA 1.658 53.701 52.037 0.010 0.000 0.656 371 A CB -0.747 18.199 19.000 -0.091 0.000 0.800 371 A HN 0.461 nan 8.150 nan 0.000 0.453 372 K N -0.322 120.107 120.400 0.048 0.000 2.498 372 K HA 0.588 4.912 4.320 0.007 0.000 0.207 372 K C 1.164 177.787 176.600 0.038 0.000 1.033 372 K CA 0.480 56.790 56.287 0.038 0.000 1.138 372 K CB -0.990 31.519 32.500 0.015 0.000 0.860 372 K HN 0.224 nan 8.250 nan 0.000 0.490 373 V N 0.032 119.994 119.914 0.081 0.000 2.287 373 V HA -0.204 3.920 4.120 0.007 0.000 0.248 373 V C 2.052 177.942 176.094 -0.340 0.000 1.053 373 V CA 1.746 64.024 62.300 -0.036 0.000 1.027 373 V CB -0.842 31.064 31.823 0.138 0.000 0.646 373 V HN 0.647 nan 8.190 nan 0.000 0.447 374 F N 0.627 120.308 119.950 -0.449 0.000 2.373 374 F HA -0.147 4.383 4.527 0.005 0.000 0.300 374 F C 2.179 177.850 175.800 -0.215 0.000 1.080 374 F CA 1.067 58.811 58.000 -0.426 0.000 1.417 374 F CB -0.746 38.244 39.000 -0.017 0.000 1.070 374 F HN 0.288 nan 8.300 nan 0.000 0.546 375 D N -0.320 120.089 120.400 0.014 0.000 2.277 375 D HA -0.091 4.554 4.640 0.007 0.000 0.208 375 D C 1.853 178.155 176.300 0.004 0.000 0.962 375 D CA 0.682 54.703 54.000 0.035 0.000 0.865 375 D CB -0.120 40.701 40.800 0.035 0.000 0.939 375 D HN 0.437 nan 8.370 nan 0.000 0.510 376 E N -0.278 119.874 120.200 -0.080 0.000 2.285 376 E HA -0.059 4.295 4.350 0.007 0.000 0.194 376 E C 1.490 178.167 176.600 0.129 0.000 0.997 376 E CA 0.219 56.614 56.400 -0.009 0.000 0.845 376 E CB 0.080 29.761 29.700 -0.031 0.000 0.782 376 E HN 0.206 nan 8.360 nan 0.000 0.491 377 F N 1.636 121.591 119.950 0.008 0.000 2.163 377 F HA -0.037 4.491 4.527 0.001 0.000 0.297 377 F C 2.299 178.064 175.800 -0.058 0.000 1.094 377 F CA 0.646 58.608 58.000 -0.064 0.000 1.290 377 F CB -0.791 38.135 39.000 -0.124 0.000 1.017 377 F HN -0.092 nan 8.300 nan 0.000 0.483 378 K N 1.074 121.582 120.400 0.181 0.000 2.034 378 K HA -0.198 4.126 4.320 0.007 0.000 0.214 378 K C -0.656 175.969 176.600 0.041 0.000 1.051 378 K CA 2.186 58.531 56.287 0.096 0.000 0.931 378 K CB -1.300 31.254 32.500 0.089 0.000 0.715 378 K HN 0.119 nan 8.250 nan 0.000 0.446 379 P HA -0.155 nan 4.420 nan 0.000 0.218 379 P C 1.303 178.595 177.300 -0.013 0.000 1.149 379 P CA 1.026 64.135 63.100 0.014 0.000 0.817 379 P CB 0.041 31.755 31.700 0.022 0.000 0.785 380 L N -0.548 120.668 121.223 -0.013 0.000 2.056 380 L HA -0.102 4.242 4.340 0.007 0.000 0.207 380 L C 2.826 179.607 176.870 -0.148 0.000 1.078 380 L CA 1.430 56.229 54.840 -0.068 0.000 0.749 380 L CB -1.646 40.373 42.059 -0.067 0.000 0.901 380 L HN -0.171 nan 8.230 nan 0.000 0.433 381 V N -0.529 119.281 119.914 -0.173 0.000 2.244 381 V HA -0.274 3.850 4.120 0.007 0.000 0.244 381 V C 2.383 178.361 176.094 -0.194 0.000 1.042 381 V CA 1.678 63.804 62.300 -0.290 0.000 1.006 381 V CB -0.561 31.106 31.823 -0.259 0.000 0.641 381 V HN 0.467 nan 8.190 nan 0.000 0.446 382 E N -0.265 119.876 120.200 -0.098 0.000 2.130 382 E HA -0.289 4.065 4.350 0.007 0.000 0.196 382 E C 2.264 178.833 176.600 -0.053 0.000 0.998 382 E CA 1.317 57.683 56.400 -0.056 0.000 0.806 382 E CB -0.226 29.462 29.700 -0.020 0.000 0.738 382 E HN 0.574 nan 8.360 nan 0.000 0.459 383 E N 0.677 120.843 120.200 -0.057 0.000 2.021 383 E HA -0.184 4.170 4.350 0.007 0.000 0.200 383 E C -0.566 176.009 176.600 -0.042 0.000 1.015 383 E CA 1.858 58.233 56.400 -0.041 0.000 0.824 383 E CB -0.906 28.769 29.700 -0.042 0.000 0.762 383 E HN 0.210 nan 8.360 nan 0.000 0.454 384 P HA -0.123 nan 4.420 nan 0.000 0.217 384 P C 1.413 178.686 177.300 -0.044 0.000 1.151 384 P CA 1.381 64.446 63.100 -0.059 0.000 0.828 384 P CB -0.200 31.441 31.700 -0.098 0.000 0.788 385 Q N -0.416 119.347 119.800 -0.062 0.000 2.084 385 Q HA -0.142 4.202 4.340 0.007 0.000 0.202 385 Q C 2.158 178.153 176.000 -0.008 0.000 0.978 385 Q CA 1.238 57.022 55.803 -0.033 0.000 0.844 385 Q CB -0.481 28.235 28.738 -0.037 0.000 0.898 385 Q HN 0.308 nan 8.270 nan 0.000 0.426 386 N N 0.697 119.392 118.700 -0.007 0.000 2.142 386 N HA -0.103 4.641 4.740 0.007 0.000 0.186 386 N C 1.877 177.398 175.510 0.019 0.000 1.023 386 N CA 0.919 53.974 53.050 0.008 0.000 0.852 386 N CB -0.250 38.241 38.487 0.007 0.000 0.998 386 N HN 0.216 nan 8.380 nan 0.000 0.424 387 L N 0.774 122.008 121.223 0.019 0.000 2.079 387 L HA -0.148 4.197 4.340 0.007 0.000 0.210 387 L C 2.022 178.919 176.870 0.044 0.000 1.081 387 L CA 0.703 55.566 54.840 0.037 0.000 0.752 387 L CB -0.343 41.739 42.059 0.038 0.000 0.896 387 L HN 0.124 nan 8.230 nan 0.000 0.433 388 I N 0.637 121.223 120.570 0.027 0.000 2.113 388 I HA -0.284 3.890 4.170 0.007 0.000 0.238 388 I C 3.132 179.263 176.117 0.023 0.000 1.070 388 I CA 2.018 63.332 61.300 0.023 0.000 1.332 388 I CB -1.588 36.420 38.000 0.014 0.000 1.044 388 I HN 0.188 nan 8.210 nan 0.000 0.402 389 K N 0.840 121.254 120.400 0.022 0.000 2.009 389 K HA -0.255 4.070 4.320 0.007 0.000 0.210 389 K C 2.108 178.727 176.600 0.032 0.000 1.049 389 K CA 2.091 58.392 56.287 0.023 0.000 0.929 389 K CB -1.450 31.063 32.500 0.022 0.000 0.714 389 K HN 0.527 nan 8.250 nan 0.000 0.440 390 Q N 0.292 120.115 119.800 0.039 0.000 2.112 390 Q HA -0.211 4.134 4.340 0.007 0.000 0.206 390 Q C 2.107 178.155 176.000 0.079 0.000 0.987 390 Q CA 2.207 58.042 55.803 0.052 0.000 0.858 390 Q CB -0.098 28.670 28.738 0.050 0.000 0.905 390 Q HN 0.692 nan 8.270 nan 0.000 0.420 391 N N -0.815 117.942 118.700 0.095 0.000 2.290 391 N HA -0.070 4.674 4.740 0.007 0.000 0.179 391 N C 1.683 177.222 175.510 0.048 0.000 1.016 391 N CA 1.046 54.191 53.050 0.158 0.000 0.871 391 N CB -0.111 38.504 38.487 0.214 0.000 0.987 391 N HN 0.326 nan 8.380 nan 0.000 0.431 392 c N 1.403 120.003 118.600 0.001 0.000 2.450 392 c HA 0.016 4.590 4.570 0.007 0.000 0.279 392 c C 2.466 176.570 174.090 0.022 0.000 1.335 392 c CA 0.334 56.638 56.329 -0.041 0.000 1.749 392 c CB -0.649 41.836 42.510 -0.042 0.000 1.963 392 c HN 0.479 nan 8.230 nan 0.000 0.501 393 E N 0.430 120.646 120.200 0.028 0.000 2.051 393 E HA -0.222 4.132 4.350 0.007 0.000 0.192 393 E C 2.021 178.633 176.600 0.021 0.000 0.991 393 E CA 0.986 57.403 56.400 0.028 0.000 0.799 393 E CB -0.364 29.353 29.700 0.029 0.000 0.748 393 E HN 0.431 nan 8.360 nan 0.000 0.449 394 L N 0.999 122.248 121.223 0.045 0.000 2.012 394 L HA -0.189 4.155 4.340 0.007 0.000 0.210 394 L C 2.195 179.059 176.870 -0.011 0.000 1.073 394 L CA 1.642 56.526 54.840 0.073 0.000 0.748 394 L CB -0.775 41.404 42.059 0.199 0.000 0.891 394 L HN 0.109 nan 8.230 nan 0.000 0.431 395 F N 0.079 119.804 119.950 -0.375 0.000 2.250 395 F HA -0.206 4.325 4.527 0.007 0.000 0.301 395 F C 2.231 177.865 175.800 -0.276 0.000 1.077 395 F CA 1.656 59.251 58.000 -0.675 0.000 1.348 395 F CB -0.091 38.264 39.000 -1.074 0.000 1.040 395 F HN 0.203 nan 8.300 nan 0.000 0.509 396 E N 0.435 120.542 120.200 -0.155 0.000 2.046 396 E HA -0.170 4.184 4.350 0.007 0.000 0.190 396 E C 2.172 178.674 176.600 -0.163 0.000 0.982 396 E CA 1.238 57.551 56.400 -0.144 0.000 0.800 396 E CB -0.495 29.199 29.700 -0.010 0.000 0.756 396 E HN 0.619 nan 8.360 nan 0.000 0.449 397 Q N 0.348 120.088 119.800 -0.100 0.000 1.975 397 Q HA -0.085 4.260 4.340 0.007 0.000 0.205 397 Q C 1.357 177.300 176.000 -0.094 0.000 0.990 397 Q CA 0.994 56.757 55.803 -0.066 0.000 0.845 397 Q CB -0.203 28.521 28.738 -0.023 0.000 0.913 397 Q HN 0.156 nan 8.270 nan 0.000 0.420 398 L N -0.662 120.501 121.223 -0.101 0.000 2.543 398 L HA 0.332 4.677 4.340 0.007 0.000 0.231 398 L C 0.811 177.537 176.870 -0.240 0.000 1.194 398 L CA -0.439 54.347 54.840 -0.090 0.000 0.823 398 L CB 0.023 42.086 42.059 0.007 0.000 1.374 398 L HN 0.163 nan 8.230 nan 0.000 0.507 399 G N -1.516 107.175 108.800 -0.181 0.000 2.887 399 G HA2 0.241 4.206 3.960 0.007 0.000 0.277 399 G HA3 0.241 4.206 3.960 0.007 0.000 0.277 399 G C 0.297 175.055 174.900 -0.236 0.000 1.346 399 G CA -0.286 44.638 45.100 -0.293 0.000 1.058 399 G HN 0.723 nan 8.290 nan 0.000 0.535 400 E N -1.385 118.745 120.200 -0.116 0.000 2.058 400 E HA -0.257 4.097 4.350 0.007 0.000 0.194 400 E C 1.808 178.577 176.600 0.282 0.000 0.997 400 E CA 1.486 58.034 56.400 0.247 0.000 0.801 400 E CB -0.249 29.642 29.700 0.318 0.000 0.746 400 E HN 0.505 nan 8.360 nan 0.000 0.450 401 Y N 1.246 121.607 120.300 0.100 0.000 2.114 401 Y HA -0.222 4.333 4.550 0.008 0.000 0.284 401 Y C 2.486 178.436 175.900 0.083 0.000 1.143 401 Y CA 2.225 60.377 58.100 0.087 0.000 1.135 401 Y CB -0.420 38.074 38.460 0.057 0.000 0.980 401 Y HN -0.152 nan 8.280 nan 0.000 0.499 402 K N -0.209 120.174 120.400 -0.028 0.000 2.211 402 K HA -0.129 4.196 4.320 0.007 0.000 0.203 402 K C 1.859 178.429 176.600 -0.050 0.000 1.050 402 K CA 1.103 57.319 56.287 -0.118 0.000 0.945 402 K CB -1.239 31.273 32.500 0.020 0.000 0.732 402 K HN 0.557 nan 8.250 nan 0.000 0.451 403 F N 2.156 122.047 119.950 -0.097 0.000 2.146 403 F HA -0.125 4.405 4.527 0.006 0.000 0.298 403 F C 2.180 177.960 175.800 -0.034 0.000 1.096 403 F CA 1.485 59.468 58.000 -0.028 0.000 1.275 403 F CB -0.309 38.745 39.000 0.089 0.000 1.008 403 F HN 0.142 nan 8.300 nan 0.000 0.480 404 Q N -0.039 119.696 119.800 -0.109 0.000 2.124 404 Q HA -0.206 4.138 4.340 0.007 0.000 0.202 404 Q C 1.842 177.678 176.000 -0.273 0.000 0.977 404 Q CA 1.574 57.253 55.803 -0.206 0.000 0.850 404 Q CB -0.358 28.334 28.738 -0.077 0.000 0.901 404 Q HN 0.388 nan 8.270 nan 0.000 0.429 405 N N 0.612 119.125 118.700 -0.313 0.000 2.188 405 N HA -0.109 4.636 4.740 0.007 0.000 0.184 405 N C 1.571 176.942 175.510 -0.232 0.000 1.018 405 N CA 1.291 54.173 53.050 -0.279 0.000 0.858 405 N CB -0.348 37.941 38.487 -0.329 0.000 0.989 405 N HN 0.254 nan 8.380 nan 0.000 0.426 406 A N 1.074 123.745 122.820 -0.249 0.000 1.902 406 A HA -0.041 4.283 4.320 0.007 0.000 0.217 406 A C 2.300 179.677 177.584 -0.346 0.000 1.181 406 A CA 0.906 52.799 52.037 -0.241 0.000 0.623 406 A CB -0.716 18.172 19.000 -0.187 0.000 0.818 406 A HN 0.217 nan 8.150 nan 0.000 0.443 407 L N -1.128 119.813 121.223 -0.469 0.000 2.141 407 L HA -0.141 4.203 4.340 0.007 0.000 0.209 407 L C 2.488 179.110 176.870 -0.414 0.000 1.094 407 L CA 0.518 55.027 54.840 -0.552 0.000 0.763 407 L CB -0.471 41.339 42.059 -0.414 0.000 0.908 407 L HN 0.322 nan 8.230 nan 0.000 0.437 408 L N -0.474 120.613 121.223 -0.228 0.000 2.017 408 L HA -0.166 4.178 4.340 0.007 0.000 0.208 408 L C 2.423 179.218 176.870 -0.125 0.000 1.073 408 L CA 1.618 56.392 54.840 -0.111 0.000 0.745 408 L CB -0.561 41.438 42.059 -0.100 0.000 0.894 408 L HN -0.047 nan 8.230 nan 0.000 0.432 409 V N -0.448 119.369 119.914 -0.163 0.000 2.358 409 V HA -0.266 3.858 4.120 0.007 0.000 0.246 409 V C 2.719 178.712 176.094 -0.168 0.000 1.047 409 V CA 1.838 64.059 62.300 -0.131 0.000 1.035 409 V CB -0.692 31.061 31.823 -0.118 0.000 0.658 409 V HN 0.482 nan 8.190 nan 0.000 0.452 410 R N -0.789 119.532 120.500 -0.297 0.000 2.083 410 R HA -0.198 4.146 4.340 0.007 0.000 0.237 410 R C 2.307 178.423 176.300 -0.307 0.000 1.137 410 R CA 2.122 57.996 56.100 -0.377 0.000 0.951 410 R CB -0.280 29.639 30.300 -0.635 0.000 0.851 410 R HN 0.533 nan 8.270 nan 0.000 0.434 411 Y N -0.079 120.180 120.300 -0.068 0.000 2.365 411 Y HA 0.071 4.624 4.550 0.005 0.000 0.293 411 Y C 2.459 178.321 175.900 -0.062 0.000 1.119 411 Y CA 1.036 59.101 58.100 -0.058 0.000 1.203 411 Y CB -0.572 37.848 38.460 -0.067 0.000 1.026 411 Y HN 0.042 nan 8.280 nan 0.000 0.549 412 T N 0.145 114.728 114.554 0.049 0.000 2.788 412 T HA -0.158 4.196 4.350 0.007 0.000 0.268 412 T C 1.791 176.451 174.700 -0.067 0.000 1.044 412 T CA 1.423 63.514 62.100 -0.015 0.000 1.139 412 T CB -0.130 68.722 68.868 -0.027 0.000 0.867 412 T HN 0.299 nan 8.240 nan 0.000 0.454 413 K N 0.840 121.211 120.400 -0.049 0.000 2.148 413 K HA -0.006 4.318 4.320 0.007 0.000 0.204 413 K C 2.351 178.931 176.600 -0.034 0.000 1.050 413 K CA 0.921 57.177 56.287 -0.053 0.000 0.942 413 K CB -0.003 32.475 32.500 -0.037 0.000 0.724 413 K HN 0.301 nan 8.250 nan 0.000 0.446 414 K N 0.525 120.933 120.400 0.012 0.000 2.076 414 K HA -0.032 4.292 4.320 0.007 0.000 0.204 414 K C 0.862 177.473 176.600 0.019 0.000 1.051 414 K CA 1.048 57.360 56.287 0.042 0.000 0.949 414 K CB 0.421 32.991 32.500 0.117 0.000 0.726 414 K HN 0.039 nan 8.250 nan 0.000 0.443 415 V N -1.531 118.385 119.914 0.004 0.000 2.467 415 V HA 0.260 4.384 4.120 0.007 0.000 0.260 415 V C -2.752 173.286 176.094 -0.094 0.000 0.963 415 V CA -1.626 60.662 62.300 -0.019 0.000 0.856 415 V CB 1.273 33.113 31.823 0.029 0.000 1.087 415 V HN -0.104 nan 8.190 nan 0.000 0.467 416 P HA -0.032 nan 4.420 nan 0.000 0.226 416 P C 1.318 178.445 177.300 -0.288 0.000 1.153 416 P CA 1.092 63.901 63.100 -0.485 0.000 0.777 416 P CB 0.298 31.182 31.700 -1.360 0.000 0.794 417 Q N -0.828 118.906 119.800 -0.110 0.000 2.172 417 Q HA -0.019 4.325 4.340 0.007 0.000 0.200 417 Q C 0.748 176.773 176.000 0.042 0.000 0.964 417 Q CA 0.521 56.345 55.803 0.035 0.000 0.855 417 Q CB -1.173 27.617 28.738 0.085 0.000 0.918 417 Q HN 0.095 nan 8.270 nan 0.000 0.444 418 V N 1.198 121.132 119.914 0.033 0.000 2.928 418 V HA -0.079 4.046 4.120 0.007 0.000 0.307 418 V C 0.679 176.792 176.094 0.031 0.000 1.105 418 V CA -0.074 62.257 62.300 0.051 0.000 1.223 418 V CB 0.990 32.840 31.823 0.045 0.000 0.930 418 V HN 0.210 nan 8.190 nan 0.000 0.499 419 S N 2.594 118.315 115.700 0.034 0.000 2.560 419 S HA 0.020 4.494 4.470 0.007 0.000 0.284 419 S C 1.447 176.056 174.600 0.014 0.000 1.327 419 S CA 0.152 58.365 58.200 0.021 0.000 1.055 419 S CB 0.850 64.061 63.200 0.017 0.000 0.868 419 S HN 0.911 nan 8.310 nan 0.000 0.506 420 T N 5.894 120.452 114.554 0.008 0.000 2.720 420 T HA -0.047 4.307 4.350 0.007 0.000 0.268 420 T C -0.924 173.779 174.700 0.006 0.000 1.037 420 T CA 1.510 63.613 62.100 0.005 0.000 1.144 420 T CB -0.915 67.950 68.868 -0.005 0.000 0.864 420 T HN 0.679 nan 8.240 nan 0.000 0.444 421 P HA -0.018 nan 4.420 nan 0.000 0.219 421 P C 1.359 178.664 177.300 0.009 0.000 1.150 421 P CA 1.117 64.221 63.100 0.007 0.000 0.814 421 P CB -0.240 31.463 31.700 0.004 0.000 0.787 422 T N 0.839 115.398 114.554 0.008 0.000 2.737 422 T HA -0.042 4.312 4.350 0.007 0.000 0.265 422 T C 2.006 176.704 174.700 -0.003 0.000 1.038 422 T CA 0.991 63.094 62.100 0.006 0.000 1.144 422 T CB -0.790 68.087 68.868 0.015 0.000 0.866 422 T HN 0.044 nan 8.240 nan 0.000 0.434 423 L N 0.723 121.947 121.223 0.002 0.000 2.042 423 L HA -0.109 4.235 4.340 0.007 0.000 0.210 423 L C 2.648 179.524 176.870 0.010 0.000 1.076 423 L CA 0.947 55.790 54.840 0.005 0.000 0.749 423 L CB -0.683 41.386 42.059 0.016 0.000 0.893 423 L HN 0.152 nan 8.230 nan 0.000 0.432 424 V N -0.220 119.701 119.914 0.012 0.000 2.261 424 V HA -0.289 3.835 4.120 0.007 0.000 0.246 424 V C 2.501 178.604 176.094 0.016 0.000 1.047 424 V CA 2.030 64.340 62.300 0.017 0.000 1.015 424 V CB -0.457 31.381 31.823 0.025 0.000 0.642 424 V HN 0.443 nan 8.190 nan 0.000 0.446 425 E N 0.467 120.674 120.200 0.011 0.000 2.049 425 E HA -0.218 4.137 4.350 0.007 0.000 0.198 425 E C 2.023 178.619 176.600 -0.006 0.000 1.007 425 E CA 2.173 58.578 56.400 0.008 0.000 0.809 425 E CB -0.543 29.160 29.700 0.006 0.000 0.749 425 E HN 0.317 nan 8.360 nan 0.000 0.450 426 V N 0.206 120.103 119.914 -0.027 0.000 2.295 426 V HA -0.254 3.870 4.120 0.007 0.000 0.246 426 V C 2.414 178.478 176.094 -0.049 0.000 1.049 426 V CA 2.014 64.275 62.300 -0.065 0.000 1.024 426 V CB -0.656 31.094 31.823 -0.122 0.000 0.648 426 V HN 0.266 nan 8.190 nan 0.000 0.447 427 S N -0.404 115.291 115.700 -0.009 0.000 2.368 427 S HA -0.166 4.308 4.470 0.007 0.000 0.225 427 S C 2.058 176.664 174.600 0.010 0.000 1.030 427 S CA 1.328 59.545 58.200 0.027 0.000 0.999 427 S CB -0.305 62.919 63.200 0.039 0.000 0.844 427 S HN 0.546 nan 8.310 nan 0.000 0.459 428 R N 1.528 122.038 120.500 0.016 0.000 2.081 428 R HA 0.006 4.351 4.340 0.007 0.000 0.235 428 R C 1.892 178.214 176.300 0.037 0.000 1.131 428 R CA 1.278 57.401 56.100 0.038 0.000 0.960 428 R CB -0.464 29.865 30.300 0.049 0.000 0.856 428 R HN 0.363 nan 8.270 nan 0.000 0.436 429 N N 0.755 119.462 118.700 0.012 0.000 2.142 429 N HA -0.122 4.622 4.740 0.007 0.000 0.186 429 N C 1.721 177.228 175.510 -0.004 0.000 1.023 429 N CA 0.962 54.010 53.050 -0.004 0.000 0.852 429 N CB -0.165 38.312 38.487 -0.016 0.000 0.998 429 N HN 0.052 nan 8.380 nan 0.000 0.424 430 L N 1.038 122.263 121.223 0.004 0.000 2.046 430 L HA -0.014 4.330 4.340 0.007 0.000 0.208 430 L C 2.391 179.329 176.870 0.112 0.000 1.077 430 L CA 1.389 56.249 54.840 0.033 0.000 0.747 430 L CB -1.507 40.571 42.059 0.032 0.000 0.896 430 L HN 0.152 nan 8.230 nan 0.000 0.432 431 G N -0.777 108.098 108.800 0.126 0.000 2.476 431 G HA2 -0.294 3.670 3.960 0.007 0.000 0.218 431 G HA3 -0.294 3.670 3.960 0.007 0.000 0.218 431 G C 1.746 176.775 174.900 0.216 0.000 1.164 431 G CA 0.747 46.025 45.100 0.296 0.000 0.768 431 G HN 0.350 nan 8.290 nan 0.000 0.560 432 K N -0.066 120.379 120.400 0.076 0.000 2.097 432 K HA -0.021 4.303 4.320 0.007 0.000 0.206 432 K C 2.537 179.036 176.600 -0.169 0.000 1.049 432 K CA 0.991 57.258 56.287 -0.034 0.000 0.933 432 K CB -0.286 32.176 32.500 -0.063 0.000 0.717 432 K HN 0.239 nan 8.250 nan 0.000 0.442 433 V N 0.886 120.711 119.914 -0.150 0.000 2.490 433 V HA -0.195 3.929 4.120 0.007 0.000 0.250 433 V C 2.335 178.302 176.094 -0.211 0.000 1.061 433 V CA 2.145 64.322 62.300 -0.206 0.000 1.064 433 V CB -0.839 30.954 31.823 -0.049 0.000 0.670 433 V HN 0.493 nan 8.190 nan 0.000 0.461 434 G N 0.143 108.826 108.800 -0.195 0.000 2.404 434 G HA2 -0.247 3.717 3.960 0.007 0.000 0.215 434 G HA3 -0.247 3.717 3.960 0.007 0.000 0.215 434 G C 1.825 176.115 174.900 -1.016 0.000 1.174 434 G CA 1.158 45.957 45.100 -0.502 0.000 0.780 434 G HN 0.648 nan 8.290 nan 0.000 0.537 435 S N -0.190 114.966 115.700 -0.906 0.000 2.515 435 S HA 0.050 4.524 4.470 0.007 0.000 0.231 435 S C 1.949 176.315 174.600 -0.390 0.000 0.987 435 S CA 1.601 59.357 58.200 -0.740 0.000 0.936 435 S CB -0.008 63.172 63.200 -0.033 0.000 0.766 435 S HN 0.456 nan 8.310 nan 0.000 0.528 436 K N -0.428 119.749 120.400 -0.372 0.000 2.276 436 K HA 0.239 4.563 4.320 0.007 0.000 0.198 436 K C 1.430 177.813 176.600 -0.362 0.000 1.052 436 K CA 0.820 56.921 56.287 -0.310 0.000 0.984 436 K CB -0.002 32.280 32.500 -0.363 0.000 0.836 436 K HN 0.453 nan 8.250 nan 0.000 0.490 437 c N -0.249 118.152 118.600 -0.332 0.000 2.609 437 c HA 0.151 4.725 4.570 0.007 0.000 0.305 437 c C 2.343 176.273 174.090 -0.267 0.000 1.319 437 c CA -0.380 55.771 56.329 -0.296 0.000 1.793 437 c CB -0.410 42.053 42.510 -0.078 0.000 2.260 437 c HN 0.600 nan 8.230 nan 0.000 0.535 438 c N 1.367 119.780 118.600 -0.312 0.000 2.422 438 c HA -0.055 4.519 4.570 0.007 0.000 0.286 438 c C 2.452 176.465 174.090 -0.128 0.000 1.412 438 c CA 0.985 57.175 56.329 -0.233 0.000 1.786 438 c CB -1.076 41.205 42.510 -0.383 0.000 1.835 438 c HN 0.550 nan 8.230 nan 0.000 0.533 439 K N 0.069 120.375 120.400 -0.157 0.000 2.365 439 K HA 0.081 4.405 4.320 0.007 0.000 0.197 439 K C 0.503 177.140 176.600 0.062 0.000 1.042 439 K CA 0.416 56.675 56.287 -0.045 0.000 0.987 439 K CB -0.430 32.037 32.500 -0.055 0.000 0.779 439 K HN 0.702 nan 8.250 nan 0.000 0.484 440 H N 1.405 120.467 119.070 -0.014 0.000 2.690 440 H HA 0.079 4.639 4.556 0.006 0.000 0.365 440 H C -1.963 173.363 175.328 -0.003 0.000 1.142 440 H CA -1.857 54.189 56.048 -0.003 0.000 1.417 440 H CB 0.575 30.338 29.762 0.001 0.000 1.446 440 H HN 0.000 nan 8.280 nan 0.000 0.599 441 P HA -0.050 nan 4.420 nan 0.000 0.274 441 P C 0.516 177.851 177.300 0.058 0.000 1.237 441 P CA -0.151 62.984 63.100 0.059 0.000 0.793 441 P CB 1.066 32.781 31.700 0.024 0.000 0.977 442 E N 1.650 121.876 120.200 0.043 0.000 2.169 442 E HA -0.294 4.060 4.350 0.007 0.000 0.202 442 E C 1.763 178.389 176.600 0.044 0.000 1.016 442 E CA 1.906 58.331 56.400 0.042 0.000 0.817 442 E CB -0.441 29.281 29.700 0.036 0.000 0.736 442 E HN 0.526 nan 8.360 nan 0.000 0.462 443 A N 0.049 122.886 122.820 0.029 0.000 2.070 443 A HA -0.116 4.209 4.320 0.007 0.000 0.220 443 A C 1.965 179.555 177.584 0.010 0.000 1.159 443 A CA 1.397 53.445 52.037 0.019 0.000 0.656 443 A CB 0.047 19.043 19.000 -0.007 0.000 0.800 443 A HN 0.078 nan 8.150 nan 0.000 0.453 444 K N -1.256 119.151 120.400 0.011 0.000 2.402 444 K HA 0.240 4.564 4.320 0.007 0.000 0.204 444 K C 1.632 178.289 176.600 0.094 0.000 1.056 444 K CA 0.139 56.425 56.287 -0.001 0.000 1.069 444 K CB 0.142 32.563 32.500 -0.131 0.000 0.888 444 K HN 0.654 nan 8.250 nan 0.000 0.546 445 R N 0.436 120.997 120.500 0.102 0.000 2.062 445 R HA 0.101 4.446 4.340 0.007 0.000 0.231 445 R C 2.437 178.779 176.300 0.070 0.000 1.136 445 R CA 1.943 58.104 56.100 0.103 0.000 0.948 445 R CB -0.330 30.007 30.300 0.062 0.000 0.845 445 R HN 0.211 nan 8.270 nan 0.000 0.430 446 M N 0.618 120.247 119.600 0.048 0.000 2.108 446 M HA -0.107 4.377 4.480 0.007 0.000 0.261 446 M C -0.944 175.368 176.300 0.020 0.000 1.066 446 M CA 1.908 57.224 55.300 0.026 0.000 1.107 446 M CB -0.607 32.002 32.600 0.014 0.000 1.356 446 M HN -0.048 nan 8.290 nan 0.000 0.406 447 P HA -0.141 nan 4.420 nan 0.000 0.216 447 P C 1.677 178.967 177.300 -0.016 0.000 1.153 447 P CA 1.194 64.287 63.100 -0.012 0.000 0.848 447 P CB -0.271 31.412 31.700 -0.029 0.000 0.787 448 c N -0.218 118.403 118.600 0.035 0.000 2.436 448 c HA -0.091 4.484 4.570 0.007 0.000 0.277 448 c C 2.829 176.951 174.090 0.055 0.000 1.241 448 c CA 1.673 58.032 56.329 0.051 0.000 1.721 448 c CB -1.662 40.974 42.510 0.208 0.000 2.043 448 c HN 0.208 nan 8.230 nan 0.000 0.472 449 A N -0.041 122.829 122.820 0.084 0.000 1.902 449 A HA -0.224 4.100 4.320 0.007 0.000 0.217 449 A C 2.177 179.800 177.584 0.064 0.000 1.181 449 A CA 2.006 54.102 52.037 0.099 0.000 0.623 449 A CB -0.972 18.064 19.000 0.060 0.000 0.818 449 A HN 0.843 nan 8.150 nan 0.000 0.443 450 E N -0.311 119.902 120.200 0.021 0.000 2.058 450 E HA -0.277 4.077 4.350 0.007 0.000 0.194 450 E C 1.716 178.313 176.600 -0.004 0.000 0.997 450 E CA 1.423 57.830 56.400 0.011 0.000 0.801 450 E CB -0.285 29.417 29.700 0.003 0.000 0.746 450 E HN 0.581 nan 8.360 nan 0.000 0.450 451 D N -0.841 119.517 120.400 -0.071 0.000 2.104 451 D HA -0.177 4.467 4.640 0.007 0.000 0.194 451 D C 1.769 177.983 176.300 -0.144 0.000 0.994 451 D CA 1.155 55.062 54.000 -0.157 0.000 0.830 451 D CB -0.063 40.541 40.800 -0.327 0.000 0.959 451 D HN 0.303 nan 8.370 nan 0.000 0.452 452 Y N 0.040 120.352 120.300 0.020 0.000 2.286 452 Y HA -0.041 4.512 4.550 0.006 0.000 0.293 452 Y C 2.140 178.036 175.900 -0.005 0.000 1.124 452 Y CA 0.131 58.237 58.100 0.010 0.000 1.178 452 Y CB -0.507 37.953 38.460 -0.001 0.000 1.010 452 Y HN -0.021 nan 8.280 nan 0.000 0.536 453 L N -0.022 121.285 121.223 0.139 0.000 2.131 453 L HA -0.187 4.157 4.340 0.007 0.000 0.210 453 L C 2.574 179.455 176.870 0.018 0.000 1.092 453 L CA 1.928 56.800 54.840 0.052 0.000 0.759 453 L CB -1.205 40.873 42.059 0.031 0.000 0.903 453 L HN 0.321 nan 8.230 nan 0.000 0.435 454 S N -1.206 114.510 115.700 0.027 0.000 2.370 454 S HA -0.178 4.296 4.470 0.007 0.000 0.226 454 S C 2.002 176.608 174.600 0.010 0.000 1.033 454 S CA 1.530 59.736 58.200 0.010 0.000 1.011 454 S CB -1.327 61.877 63.200 0.006 0.000 0.852 454 S HN 0.350 nan 8.310 nan 0.000 0.457 455 V N 0.024 119.959 119.914 0.035 0.000 2.346 455 V HA 0.033 4.157 4.120 0.007 0.000 0.244 455 V C 2.322 178.427 176.094 0.019 0.000 1.037 455 V CA 1.275 63.599 62.300 0.040 0.000 1.029 455 V CB -1.261 30.612 31.823 0.083 0.000 0.663 455 V HN 0.379 nan 8.190 nan 0.000 0.454 456 V N 0.139 120.061 119.914 0.013 0.000 2.407 456 V HA -0.183 3.941 4.120 0.007 0.000 0.248 456 V C 2.644 178.679 176.094 -0.099 0.000 1.055 456 V CA 2.060 64.340 62.300 -0.035 0.000 1.049 456 V CB -0.769 31.027 31.823 -0.044 0.000 0.662 456 V HN 0.462 nan 8.190 nan 0.000 0.455 457 L N 0.221 121.377 121.223 -0.112 0.000 2.217 457 L HA -0.029 4.316 4.340 0.007 0.000 0.211 457 L C 2.091 178.909 176.870 -0.086 0.000 1.107 457 L CA 1.668 56.400 54.840 -0.180 0.000 0.783 457 L CB -1.173 40.797 42.059 -0.148 0.000 0.919 457 L HN 0.400 nan 8.230 nan 0.000 0.442 458 N N -1.001 117.680 118.700 -0.032 0.000 2.250 458 N HA -0.191 4.553 4.740 0.007 0.000 0.181 458 N C 1.853 177.362 175.510 -0.002 0.000 1.017 458 N CA 0.927 53.977 53.050 0.000 0.000 0.866 458 N CB 0.016 38.507 38.487 0.007 0.000 0.985 458 N HN 0.418 nan 8.380 nan 0.000 0.429 459 Q N -0.094 119.700 119.800 -0.011 0.000 2.084 459 Q HA -0.160 4.185 4.340 0.007 0.000 0.202 459 Q C 1.948 177.942 176.000 -0.011 0.000 0.978 459 Q CA 1.199 57.000 55.803 -0.003 0.000 0.844 459 Q CB -0.220 28.517 28.738 -0.002 0.000 0.898 459 Q HN 0.415 nan 8.270 nan 0.000 0.426 460 L N 0.800 121.993 121.223 -0.050 0.000 1.989 460 L HA -0.180 4.164 4.340 0.007 0.000 0.211 460 L C 2.335 179.210 176.870 0.008 0.000 1.071 460 L CA 1.936 56.737 54.840 -0.065 0.000 0.749 460 L CB -1.072 40.867 42.059 -0.199 0.000 0.890 460 L HN 0.391 nan 8.230 nan 0.000 0.431 461 c N -1.596 117.017 118.600 0.022 0.000 2.432 461 c HA -0.131 4.443 4.570 0.007 0.000 0.277 461 c C 2.726 176.880 174.090 0.106 0.000 1.249 461 c CA 0.882 57.267 56.329 0.093 0.000 1.725 461 c CB -0.877 41.695 42.510 0.103 0.000 2.028 461 c HN 0.518 nan 8.230 nan 0.000 0.477 462 V N 1.242 121.192 119.914 0.061 0.000 2.231 462 V HA -0.289 3.835 4.120 0.007 0.000 0.248 462 V C 2.353 178.479 176.094 0.052 0.000 1.054 462 V CA 2.233 64.559 62.300 0.044 0.000 1.015 462 V CB -0.836 30.997 31.823 0.018 0.000 0.638 462 V HN 0.539 nan 8.190 nan 0.000 0.444 463 L N -0.608 120.646 121.223 0.052 0.000 1.963 463 L HA -0.302 4.042 4.340 0.007 0.000 0.220 463 L C 2.665 179.577 176.870 0.070 0.000 1.076 463 L CA 2.482 57.351 54.840 0.048 0.000 0.772 463 L CB -1.229 40.857 42.059 0.046 0.000 0.892 463 L HN 0.486 nan 8.230 nan 0.000 0.435 464 H N 0.281 119.359 119.070 0.012 0.000 2.394 464 H HA -0.260 4.301 4.556 0.008 0.000 0.297 464 H C 2.173 177.513 175.328 0.020 0.000 1.113 464 H CA 2.269 58.330 56.048 0.022 0.000 1.277 464 H CB 0.104 29.891 29.762 0.042 0.000 1.370 464 H HN 0.464 nan 8.280 nan 0.000 0.506 465 E N 0.284 120.550 120.200 0.110 0.000 2.058 465 E HA -0.198 4.156 4.350 0.007 0.000 0.194 465 E C 2.039 178.621 176.600 -0.031 0.000 0.997 465 E CA 1.280 57.709 56.400 0.049 0.000 0.801 465 E CB 0.173 29.907 29.700 0.057 0.000 0.746 465 E HN 0.226 nan 8.360 nan 0.000 0.450 466 K N 0.103 120.488 120.400 -0.024 0.000 1.971 466 K HA -0.101 4.223 4.320 0.007 0.000 0.221 466 K C 1.238 177.798 176.600 -0.068 0.000 1.050 466 K CA 1.956 58.221 56.287 -0.036 0.000 0.967 466 K CB -0.638 31.849 32.500 -0.022 0.000 0.733 466 K HN 0.254 nan 8.250 nan 0.000 0.445 467 T N 0.566 115.065 114.554 -0.091 0.000 3.336 467 T HA 0.334 4.688 4.350 0.007 0.000 0.384 467 T C -2.670 171.887 174.700 -0.239 0.000 1.704 467 T CA -2.042 59.988 62.100 -0.116 0.000 1.334 467 T CB 0.671 69.497 68.868 -0.069 0.000 1.131 467 T HN -0.040 nan 8.240 nan 0.000 0.684 468 P HA 0.164 nan 4.420 nan 0.000 0.268 468 P C 0.239 177.327 177.300 -0.353 0.000 1.205 468 P CA -0.273 62.431 63.100 -0.661 0.000 0.771 468 P CB 1.545 33.031 31.700 -0.358 0.000 0.858 469 V N 0.415 120.162 119.914 -0.278 0.000 3.426 469 V HA 0.147 4.271 4.120 0.007 0.000 0.279 469 V C 0.741 176.923 176.094 0.146 0.000 1.544 469 V CA 0.340 62.647 62.300 0.011 0.000 1.017 469 V CB 0.659 32.512 31.823 0.051 0.000 0.821 469 V HN 0.705 nan 8.190 nan 0.000 0.432 470 S N 1.042 116.943 115.700 0.334 0.000 2.619 470 S HA 0.273 4.747 4.470 0.007 0.000 0.280 470 S C 0.571 175.285 174.600 0.190 0.000 1.150 470 S CA -0.128 58.207 58.200 0.224 0.000 0.978 470 S CB 1.645 64.945 63.200 0.168 0.000 1.041 470 S HN 0.491 nan 8.310 nan 0.000 0.485 471 D N 5.140 125.599 120.400 0.099 0.000 2.144 471 D HA -0.188 4.456 4.640 0.007 0.000 0.199 471 D C 1.471 177.776 176.300 0.009 0.000 0.984 471 D CA 0.888 54.924 54.000 0.061 0.000 0.834 471 D CB -0.128 40.693 40.800 0.035 0.000 0.955 471 D HN 0.577 nan 8.370 nan 0.000 0.465 472 R N 0.675 121.167 120.500 -0.013 0.000 2.083 472 R HA -0.072 4.272 4.340 0.007 0.000 0.237 472 R C 2.746 178.944 176.300 -0.169 0.000 1.137 472 R CA 1.267 57.321 56.100 -0.077 0.000 0.951 472 R CB -0.614 29.654 30.300 -0.052 0.000 0.851 472 R HN 0.093 nan 8.270 nan 0.000 0.434 473 V N 0.601 120.417 119.914 -0.162 0.000 2.343 473 V HA -0.248 3.877 4.120 0.007 0.000 0.247 473 V C 2.123 178.041 176.094 -0.292 0.000 1.051 473 V CA 2.256 64.381 62.300 -0.292 0.000 1.036 473 V CB -0.608 30.909 31.823 -0.509 0.000 0.654 473 V HN 0.442 nan 8.190 nan 0.000 0.451 474 T N -0.252 114.227 114.554 -0.125 0.000 2.720 474 T HA -0.258 4.096 4.350 0.007 0.000 0.268 474 T C 1.971 176.648 174.700 -0.039 0.000 1.037 474 T CA 1.946 64.067 62.100 0.035 0.000 1.144 474 T CB -0.246 68.712 68.868 0.150 0.000 0.864 474 T HN 0.347 nan 8.240 nan 0.000 0.444 475 K N 1.181 121.531 120.400 -0.083 0.000 1.991 475 K HA -0.075 4.249 4.320 0.007 0.000 0.212 475 K C 2.325 178.826 176.600 -0.166 0.000 1.049 475 K CA 1.714 57.941 56.287 -0.101 0.000 0.932 475 K CB -1.169 31.266 32.500 -0.108 0.000 0.717 475 K HN 0.377 nan 8.250 nan 0.000 0.441 476 c N -0.018 118.378 118.600 -0.340 0.000 2.411 476 c HA -0.104 4.470 4.570 0.007 0.000 0.279 476 c C 2.836 176.765 174.090 -0.270 0.000 1.288 476 c CA 0.836 56.853 56.329 -0.521 0.000 1.764 476 c CB -1.198 40.481 42.510 -1.386 0.000 1.974 476 c HN 0.633 nan 8.230 nan 0.000 0.498 477 c N 0.679 119.200 118.600 -0.131 0.000 2.468 477 c HA -0.023 4.551 4.570 0.007 0.000 0.277 477 c C 2.716 176.847 174.090 0.069 0.000 1.400 477 c CA 1.710 58.074 56.329 0.057 0.000 1.770 477 c CB -1.462 41.102 42.510 0.091 0.000 1.905 477 c HN 0.834 nan 8.230 nan 0.000 0.519 478 T N -2.365 112.209 114.554 0.034 0.000 3.022 478 T HA 0.082 4.437 4.350 0.007 0.000 0.250 478 T C 0.428 175.186 174.700 0.096 0.000 1.060 478 T CA 0.144 62.282 62.100 0.063 0.000 1.013 478 T CB 0.168 69.056 68.868 0.034 0.000 0.982 478 T HN 0.524 nan 8.240 nan 0.000 0.508 479 E N 2.499 122.731 120.200 0.054 0.000 2.435 479 E HA 0.303 4.657 4.350 0.007 0.000 0.254 479 E C 0.266 176.937 176.600 0.119 0.000 1.289 479 E CA -0.015 56.419 56.400 0.057 0.000 0.983 479 E CB 0.531 30.221 29.700 -0.018 0.000 1.010 479 E HN 0.520 nan 8.360 nan 0.000 0.509 480 S N 0.423 116.152 115.700 0.049 0.000 2.579 480 S HA 0.023 4.497 4.470 0.007 0.000 0.275 480 S C 1.294 175.757 174.600 -0.229 0.000 1.345 480 S CA -0.511 57.615 58.200 -0.123 0.000 1.031 480 S CB 0.512 63.624 63.200 -0.147 0.000 0.892 480 S HN 0.561 nan 8.310 nan 0.000 0.529 481 L N 2.137 123.046 121.223 -0.524 0.000 2.353 481 L HA -0.072 4.273 4.340 0.007 0.000 0.220 481 L C 2.077 178.838 176.870 -0.181 0.000 1.133 481 L CA 0.473 55.131 54.840 -0.304 0.000 0.798 481 L CB -0.537 41.282 42.059 -0.399 0.000 0.922 481 L HN 0.665 nan 8.230 nan 0.000 0.445 482 V N -0.627 119.173 119.914 -0.190 0.000 2.649 482 V HA -0.131 3.993 4.120 0.007 0.000 0.248 482 V C 1.733 177.784 176.094 -0.072 0.000 1.054 482 V CA 1.282 63.517 62.300 -0.108 0.000 1.073 482 V CB -0.336 31.426 31.823 -0.102 0.000 0.699 482 V HN 0.511 nan 8.190 nan 0.000 0.463 483 N N -0.289 118.369 118.700 -0.070 0.000 2.280 483 N HA 0.048 4.793 4.740 0.007 0.000 0.192 483 N C 1.767 177.259 175.510 -0.031 0.000 1.109 483 N CA 0.073 53.095 53.050 -0.047 0.000 0.855 483 N CB 0.103 38.563 38.487 -0.046 0.000 0.974 483 N HN 0.434 nan 8.380 nan 0.000 0.482 484 R N 1.452 121.945 120.500 -0.012 0.000 2.097 484 R HA -0.070 4.274 4.340 0.007 0.000 0.236 484 R C 2.185 178.576 176.300 0.151 0.000 1.135 484 R CA 1.324 57.457 56.100 0.055 0.000 0.934 484 R CB 0.019 30.375 30.300 0.093 0.000 0.846 484 R HN -0.025 nan 8.270 nan 0.000 0.431 485 R N 0.234 120.807 120.500 0.123 0.000 2.073 485 R HA -0.059 4.285 4.340 0.007 0.000 0.234 485 R C -0.841 175.526 176.300 0.112 0.000 1.134 485 R CA 1.641 57.826 56.100 0.143 0.000 0.952 485 R CB -1.443 28.895 30.300 0.063 0.000 0.850 485 R HN 0.267 nan 8.270 nan 0.000 0.433 486 P HA -0.156 nan 4.420 nan 0.000 0.215 486 P C 1.719 179.025 177.300 0.010 0.000 1.157 486 P CA 1.218 64.329 63.100 0.019 0.000 0.874 486 P CB -0.321 31.372 31.700 -0.011 0.000 0.790 487 c N -1.725 116.855 118.600 -0.033 0.000 2.393 487 c HA -0.203 4.371 4.570 0.007 0.000 0.276 487 c C 2.443 176.450 174.090 -0.139 0.000 1.215 487 c CA 0.951 57.204 56.329 -0.127 0.000 1.743 487 c CB -2.126 40.242 42.510 -0.236 0.000 2.044 487 c HN 0.070 nan 8.230 nan 0.000 0.464 488 F N 1.362 121.288 119.950 -0.039 0.000 2.134 488 F HA -0.098 4.434 4.527 0.009 0.000 0.299 488 F C 2.813 178.605 175.800 -0.013 0.000 1.097 488 F CA 2.008 59.979 58.000 -0.048 0.000 1.264 488 F CB -0.827 38.122 39.000 -0.085 0.000 1.001 488 F HN 0.153 nan 8.300 nan 0.000 0.479 489 S N -0.487 115.318 115.700 0.174 0.000 2.419 489 S HA -0.119 4.355 4.470 0.007 0.000 0.233 489 S C 2.102 176.753 174.600 0.085 0.000 1.016 489 S CA 0.924 59.200 58.200 0.125 0.000 0.974 489 S CB -0.496 62.757 63.200 0.088 0.000 0.786 489 S HN 0.342 nan 8.310 nan 0.000 0.492 490 A N 0.503 123.351 122.820 0.048 0.000 2.238 490 A HA 0.334 4.658 4.320 0.007 0.000 0.208 490 A C 0.630 178.226 177.584 0.020 0.000 1.177 490 A CA -0.049 52.001 52.037 0.022 0.000 0.804 490 A CB -0.272 18.725 19.000 -0.005 0.000 0.823 490 A HN 0.391 nan 8.150 nan 0.000 0.482 491 L N 0.935 122.181 121.223 0.039 0.000 2.453 491 L HA 0.147 4.492 4.340 0.007 0.000 0.272 491 L C 0.477 177.376 176.870 0.049 0.000 1.182 491 L CA 0.170 55.032 54.840 0.037 0.000 0.858 491 L CB 0.493 42.594 42.059 0.070 0.000 1.120 491 L HN 0.375 nan 8.230 nan 0.000 0.474 492 E N 1.156 121.376 120.200 0.032 0.000 2.264 492 E HA 0.391 4.745 4.350 0.007 0.000 0.260 492 E C -0.864 175.754 176.600 0.030 0.000 0.961 492 E CA -1.071 55.346 56.400 0.030 0.000 0.834 492 E CB 2.096 31.808 29.700 0.020 0.000 1.230 492 E HN 0.211 nan 8.360 nan 0.000 0.412 493 V N 1.742 121.671 119.914 0.024 0.000 2.928 493 V HA -0.114 4.010 4.120 0.007 0.000 0.307 493 V C 0.250 176.362 176.094 0.030 0.000 1.105 493 V CA 0.643 62.956 62.300 0.021 0.000 1.223 493 V CB 0.351 32.183 31.823 0.016 0.000 0.930 493 V HN 0.626 nan 8.190 nan 0.000 0.499 494 D N 3.500 123.920 120.400 0.034 0.000 2.393 494 D HA 0.113 4.757 4.640 0.007 0.000 0.232 494 D C 0.904 177.259 176.300 0.092 0.000 1.192 494 D CA -0.269 53.767 54.000 0.060 0.000 0.882 494 D CB 1.061 41.898 40.800 0.062 0.000 1.038 494 D HN 0.542 nan 8.370 nan 0.000 0.499 495 E N 1.819 122.061 120.200 0.070 0.000 2.435 495 E HA -0.034 4.320 4.350 0.007 0.000 0.195 495 E C 1.289 177.932 176.600 0.072 0.000 1.029 495 E CA 0.464 56.903 56.400 0.065 0.000 0.865 495 E CB 0.285 30.009 29.700 0.040 0.000 0.833 495 E HN 0.437 nan 8.360 nan 0.000 0.510 496 T N 0.363 114.969 114.554 0.087 0.000 3.009 496 T HA -0.084 4.270 4.350 0.007 0.000 0.258 496 T C 0.566 175.326 174.700 0.099 0.000 1.063 496 T CA -0.065 62.081 62.100 0.076 0.000 1.139 496 T CB -0.303 68.606 68.868 0.069 0.000 0.890 496 T HN 0.165 nan 8.240 nan 0.000 0.471 497 Y N 3.204 123.516 120.300 0.019 0.000 2.895 497 Y HA 0.115 4.668 4.550 0.007 0.000 0.334 497 Y C -0.374 175.538 175.900 0.020 0.000 1.261 497 Y CA -0.554 57.560 58.100 0.023 0.000 1.560 497 Y CB 0.172 38.649 38.460 0.028 0.000 1.253 497 Y HN -0.137 nan 8.280 nan 0.000 0.582 498 V N 9.836 129.338 119.914 -0.687 0.000 2.350 498 V HA 0.252 4.376 4.120 0.007 0.000 0.276 498 V C -1.800 173.730 176.094 -0.940 0.000 1.028 498 V CA -1.920 60.040 62.300 -0.566 0.000 0.860 498 V CB 0.735 32.383 31.823 -0.292 0.000 0.990 498 V HN 0.766 nan 8.190 nan 0.000 0.453 499 P HA 0.009 nan 4.420 nan 0.000 0.267 499 P C -0.553 176.683 177.300 -0.107 0.000 1.195 499 P CA -0.110 62.839 63.100 -0.253 0.000 0.773 499 P CB 0.587 32.243 31.700 -0.074 0.000 0.837 500 K N 1.507 121.981 120.400 0.123 0.000 2.143 500 K HA 0.288 4.612 4.320 0.007 0.000 0.272 500 K C 0.063 176.841 176.600 0.296 0.000 1.001 500 K CA -0.741 55.649 56.287 0.170 0.000 0.915 500 K CB 1.064 33.690 32.500 0.209 0.000 1.047 500 K HN 0.335 nan 8.250 nan 0.000 0.458 501 E N 1.493 121.816 120.200 0.206 0.000 2.459 501 E HA -0.112 4.242 4.350 0.007 0.000 0.264 501 E C -0.446 176.307 176.600 0.255 0.000 1.055 501 E CA -0.090 56.458 56.400 0.247 0.000 0.957 501 E CB 0.310 30.094 29.700 0.140 0.000 0.952 501 E HN 0.439 nan 8.360 nan 0.000 0.448 502 F N 2.923 122.909 119.950 0.060 0.000 2.553 502 F HA 0.057 4.588 4.527 0.006 0.000 0.356 502 F C 0.251 176.034 175.800 -0.028 0.000 1.142 502 F CA 0.084 57.969 58.000 -0.192 0.000 1.322 502 F CB 0.442 39.353 39.000 -0.148 0.000 1.126 502 F HN 0.237 nan 8.300 nan 0.000 0.599 503 N N 4.087 122.257 118.700 -0.884 0.000 2.581 503 N HA 0.307 5.051 4.740 0.007 0.000 0.279 503 N C 0.236 175.224 175.510 -0.870 0.000 1.124 503 N CA 0.283 52.940 53.050 -0.655 0.000 0.833 503 N CB 1.681 39.947 38.487 -0.368 0.000 1.338 503 N HN 0.794 nan 8.380 nan 0.000 0.533 504 A N 3.599 125.979 122.820 -0.733 0.000 1.884 504 A HA -0.225 4.099 4.320 0.007 0.000 0.219 504 A C 1.719 179.186 177.584 -0.196 0.000 1.197 504 A CA 1.797 53.621 52.037 -0.354 0.000 0.637 504 A CB -0.488 18.470 19.000 -0.071 0.000 0.827 504 A HN 0.829 nan 8.150 nan 0.000 0.450 505 E N -1.068 119.011 120.200 -0.202 0.000 2.035 505 E HA -0.217 4.137 4.350 0.007 0.000 0.204 505 E C 2.072 178.507 176.600 -0.275 0.000 1.025 505 E CA 1.917 58.212 56.400 -0.176 0.000 0.835 505 E CB -0.694 28.910 29.700 -0.160 0.000 0.764 505 E HN 0.609 nan 8.360 nan 0.000 0.457 506 T N 0.534 114.837 114.554 -0.417 0.000 2.755 506 T HA -0.205 4.149 4.350 0.007 0.000 0.266 506 T C 1.031 175.262 174.700 -0.780 0.000 1.041 506 T CA 1.458 63.168 62.100 -0.651 0.000 1.147 506 T CB -0.276 68.046 68.868 -0.910 0.000 0.847 506 T HN 0.101 nan 8.240 nan 0.000 0.478 507 F N 0.757 120.619 119.950 -0.146 0.000 2.647 507 F HA 0.298 4.829 4.527 0.006 0.000 0.300 507 F C 0.873 176.750 175.800 0.128 0.000 1.106 507 F CA -0.575 57.475 58.000 0.083 0.000 1.313 507 F CB -0.184 38.947 39.000 0.219 0.000 1.007 507 F HN -0.152 nan 8.300 nan 0.000 0.536 508 T N 1.540 116.051 114.554 -0.072 0.000 2.845 508 T HA 0.480 4.835 4.350 0.007 0.000 0.288 508 T C -0.691 173.828 174.700 -0.302 0.000 0.980 508 T CA 0.126 62.217 62.100 -0.014 0.000 1.071 508 T CB 0.717 69.552 68.868 -0.055 0.000 0.941 508 T HN -0.161 nan 8.240 nan 0.000 0.487 509 F N 1.140 121.134 119.950 0.072 0.000 2.576 509 F HA 0.554 5.085 4.527 0.007 0.000 0.313 509 F C 0.412 176.052 175.800 -0.266 0.000 1.078 509 F CA -0.985 57.077 58.000 0.103 0.000 0.921 509 F CB 1.790 41.077 39.000 0.479 0.000 1.232 509 F HN 0.593 nan 8.300 nan 0.000 0.459 510 H N -0.323 118.702 119.070 -0.075 0.000 2.960 510 H HA 0.682 5.242 4.556 0.007 0.000 0.302 510 H C 0.418 175.059 175.328 -1.144 0.000 1.515 510 H CA -0.404 55.388 56.048 -0.426 0.000 1.431 510 H CB 1.010 30.652 29.762 -0.200 0.000 1.890 510 H HN 0.574 nan 8.280 nan 0.000 0.762 511 A N 0.114 122.514 122.820 -0.700 0.000 2.123 511 A HA -0.104 4.220 4.320 0.007 0.000 0.214 511 A C 1.516 178.937 177.584 -0.273 0.000 1.152 511 A CA 1.034 52.691 52.037 -0.633 0.000 0.728 511 A CB -0.584 18.294 19.000 -0.204 0.000 0.814 511 A HN 0.835 nan 8.150 nan 0.000 0.464 512 D N 1.191 121.488 120.400 -0.171 0.000 2.354 512 D HA -0.198 4.446 4.640 0.007 0.000 0.216 512 D C 1.420 177.693 176.300 -0.045 0.000 0.970 512 D CA 1.540 55.490 54.000 -0.083 0.000 0.905 512 D CB -0.474 40.283 40.800 -0.072 0.000 0.903 512 D HN 0.612 nan 8.370 nan 0.000 0.508 513 I N -1.110 119.427 120.570 -0.055 0.000 2.761 513 I HA -0.030 4.144 4.170 0.007 0.000 0.261 513 I C 2.174 178.319 176.117 0.046 0.000 1.198 513 I CA 0.000 61.327 61.300 0.044 0.000 1.482 513 I CB -0.842 37.248 38.000 0.150 0.000 1.100 513 I HN -0.059 nan 8.210 nan 0.000 0.445 514 c N 0.122 118.731 118.600 0.014 0.000 2.457 514 c HA -0.049 4.526 4.570 0.007 0.000 0.278 514 c C 2.521 176.623 174.090 0.020 0.000 1.309 514 c CA 1.235 57.588 56.329 0.041 0.000 1.735 514 c CB -1.429 41.114 42.510 0.056 0.000 1.992 514 c HN 0.664 nan 8.230 nan 0.000 0.493 515 T N 0.425 114.982 114.554 0.005 0.000 3.235 515 T HA 0.305 4.660 4.350 0.007 0.000 0.251 515 T C 0.232 174.935 174.700 0.007 0.000 1.060 515 T CA 0.084 62.185 62.100 0.003 0.000 0.949 515 T CB -0.483 68.382 68.868 -0.006 0.000 1.020 515 T HN 0.312 nan 8.240 nan 0.000 0.564 516 L N 1.960 123.192 121.223 0.016 0.000 2.375 516 L HA 0.513 4.857 4.340 0.007 0.000 0.268 516 L C 0.846 177.727 176.870 0.019 0.000 1.058 516 L CA -1.038 53.814 54.840 0.021 0.000 0.803 516 L CB 1.548 43.629 42.059 0.037 0.000 1.212 516 L HN 0.232 nan 8.230 nan 0.000 0.451 517 S N -0.376 115.334 115.700 0.017 0.000 2.593 517 S HA 0.087 4.562 4.470 0.007 0.000 0.269 517 S C 0.839 175.445 174.600 0.011 0.000 1.334 517 S CA -0.666 57.541 58.200 0.012 0.000 1.015 517 S CB 1.446 64.654 63.200 0.013 0.000 0.912 517 S HN 0.591 nan 8.310 nan 0.000 0.541 518 E N 2.187 122.385 120.200 -0.003 0.000 2.068 518 E HA -0.245 4.109 4.350 0.007 0.000 0.207 518 E C 2.658 179.254 176.600 -0.006 0.000 1.032 518 E CA 2.337 58.724 56.400 -0.021 0.000 0.839 518 E CB -1.053 28.625 29.700 -0.036 0.000 0.758 518 E HN 0.874 nan 8.360 nan 0.000 0.457 519 K N 1.518 121.926 120.400 0.014 0.000 2.074 519 K HA -0.195 4.129 4.320 0.007 0.000 0.209 519 K C 1.965 178.598 176.600 0.056 0.000 1.048 519 K CA 1.826 58.136 56.287 0.040 0.000 0.926 519 K CB -0.665 31.859 32.500 0.040 0.000 0.713 519 K HN 0.119 nan 8.250 nan 0.000 0.444 520 E N 0.134 120.362 120.200 0.047 0.000 2.106 520 E HA -0.118 4.236 4.350 0.007 0.000 0.192 520 E C 2.323 178.972 176.600 0.082 0.000 0.984 520 E CA 1.091 57.525 56.400 0.057 0.000 0.806 520 E CB -0.120 29.606 29.700 0.043 0.000 0.750 520 E HN 0.668 nan 8.360 nan 0.000 0.458 521 R N 0.678 121.223 120.500 0.075 0.000 2.070 521 R HA -0.113 4.231 4.340 0.007 0.000 0.233 521 R C 2.542 178.933 176.300 0.151 0.000 1.137 521 R CA 1.319 57.485 56.100 0.110 0.000 0.945 521 R CB -0.377 29.964 30.300 0.067 0.000 0.845 521 R HN 0.241 nan 8.270 nan 0.000 0.430 522 Q N 0.731 120.599 119.800 0.114 0.000 2.045 522 Q HA -0.173 4.171 4.340 0.007 0.000 0.206 522 Q C 2.251 178.402 176.000 0.252 0.000 0.991 522 Q CA 1.598 57.540 55.803 0.231 0.000 0.851 522 Q CB -0.299 28.577 28.738 0.230 0.000 0.911 522 Q HN 0.392 nan 8.270 nan 0.000 0.418 523 I N 0.731 121.403 120.570 0.171 0.000 2.335 523 I HA -0.280 3.894 4.170 0.007 0.000 0.251 523 I C 2.187 178.382 176.117 0.130 0.000 1.129 523 I CA 1.223 62.603 61.300 0.133 0.000 1.402 523 I CB -0.227 37.829 38.000 0.093 0.000 1.069 523 I HN 0.192 nan 8.210 nan 0.000 0.424 524 K N 0.894 121.388 120.400 0.158 0.000 2.062 524 K HA -0.114 4.211 4.320 0.007 0.000 0.205 524 K C 2.108 178.855 176.600 0.245 0.000 1.051 524 K CA 1.079 57.475 56.287 0.181 0.000 0.941 524 K CB -0.009 32.620 32.500 0.216 0.000 0.719 524 K HN 0.278 nan 8.250 nan 0.000 0.440 525 K N 1.031 121.599 120.400 0.279 0.000 2.057 525 K HA -0.137 4.188 4.320 0.007 0.000 0.206 525 K C 2.192 178.867 176.600 0.125 0.000 1.050 525 K CA 1.262 57.693 56.287 0.240 0.000 0.935 525 K CB -0.021 32.672 32.500 0.322 0.000 0.715 525 K HN 0.156 nan 8.250 nan 0.000 0.439 526 Q N 0.149 120.033 119.800 0.141 0.000 2.170 526 Q HA -0.104 4.240 4.340 0.007 0.000 0.203 526 Q C 1.976 178.007 176.000 0.051 0.000 0.976 526 Q CA 1.486 57.331 55.803 0.070 0.000 0.858 526 Q CB -0.093 28.687 28.738 0.071 0.000 0.907 526 Q HN 0.287 nan 8.270 nan 0.000 0.433 527 T N 0.731 115.325 114.554 0.067 0.000 2.777 527 T HA -0.123 4.231 4.350 0.007 0.000 0.266 527 T C 1.881 176.598 174.700 0.029 0.000 1.040 527 T CA 1.188 63.309 62.100 0.036 0.000 1.141 527 T CB -0.184 68.698 68.868 0.024 0.000 0.868 527 T HN 0.393 nan 8.240 nan 0.000 0.444 528 A N 1.199 124.061 122.820 0.070 0.000 1.930 528 A HA 0.030 4.354 4.320 0.007 0.000 0.217 528 A C 2.194 179.862 177.584 0.140 0.000 1.175 528 A CA 1.055 53.162 52.037 0.118 0.000 0.627 528 A CB -0.733 18.433 19.000 0.276 0.000 0.815 528 A HN 0.402 nan 8.150 nan 0.000 0.443 529 L N 0.043 121.298 121.223 0.052 0.000 2.083 529 L HA -0.107 4.237 4.340 0.007 0.000 0.209 529 L C 2.333 179.239 176.870 0.058 0.000 1.083 529 L CA 1.879 56.737 54.840 0.029 0.000 0.752 529 L CB -0.529 41.516 42.059 -0.024 0.000 0.899 529 L HN 0.158 nan 8.230 nan 0.000 0.433 530 V N -0.481 119.461 119.914 0.048 0.000 2.453 530 V HA -0.171 3.953 4.120 0.007 0.000 0.247 530 V C 2.599 178.744 176.094 0.084 0.000 1.048 530 V CA 1.504 63.830 62.300 0.043 0.000 1.049 530 V CB -0.641 31.195 31.823 0.022 0.000 0.672 530 V HN 0.417 nan 8.190 nan 0.000 0.457 531 E N -0.041 120.217 120.200 0.097 0.000 2.110 531 E HA -0.190 4.164 4.350 0.007 0.000 0.193 531 E C 2.105 178.919 176.600 0.356 0.000 0.988 531 E CA 0.971 57.450 56.400 0.131 0.000 0.804 531 E CB -0.402 29.249 29.700 -0.082 0.000 0.745 531 E HN 0.444 nan 8.360 nan 0.000 0.458 532 L N 0.784 122.260 121.223 0.422 0.000 1.989 532 L HA -0.160 4.184 4.340 0.007 0.000 0.211 532 L C 2.319 179.340 176.870 0.250 0.000 1.071 532 L CA 1.448 56.519 54.840 0.384 0.000 0.749 532 L CB -0.718 41.465 42.059 0.208 0.000 0.890 532 L HN -0.094 nan 8.230 nan 0.000 0.431 533 V N -0.385 119.622 119.914 0.155 0.000 2.469 533 V HA -0.304 3.820 4.120 0.007 0.000 0.251 533 V C 2.570 178.743 176.094 0.131 0.000 1.064 533 V CA 1.987 64.345 62.300 0.097 0.000 1.066 533 V CB -0.775 31.069 31.823 0.036 0.000 0.667 533 V HN 0.459 nan 8.190 nan 0.000 0.461 534 K N -0.918 119.586 120.400 0.174 0.000 2.288 534 K HA -0.157 4.167 4.320 0.007 0.000 0.201 534 K C 2.154 178.975 176.600 0.368 0.000 1.048 534 K CA 1.236 57.664 56.287 0.235 0.000 0.956 534 K CB -0.134 32.486 32.500 0.202 0.000 0.746 534 K HN 0.595 nan 8.250 nan 0.000 0.461 535 H N 0.098 119.317 119.070 0.248 0.000 2.431 535 H HA 0.081 4.642 4.556 0.007 0.000 0.295 535 H C -0.139 175.289 175.328 0.167 0.000 1.038 535 H CA 0.881 57.071 56.048 0.237 0.000 1.360 535 H CB 0.662 30.614 29.762 0.316 0.000 1.433 535 H HN -0.274 nan 8.280 nan 0.000 0.536 536 K N 1.970 122.383 120.400 0.022 0.000 2.762 536 K HA 0.210 4.534 4.320 0.007 0.000 0.180 536 K C -2.303 174.309 176.600 0.021 0.000 1.067 536 K CA -0.676 55.571 56.287 -0.067 0.000 0.973 536 K CB 1.010 33.474 32.500 -0.061 0.000 1.290 536 K HN 0.442 nan 8.250 nan 0.000 0.604 537 P HA -0.148 nan 4.420 nan 0.000 0.220 537 P C 0.674 177.997 177.300 0.037 0.000 1.148 537 P CA 1.010 64.157 63.100 0.078 0.000 0.803 537 P CB 0.295 32.102 31.700 0.177 0.000 0.782 538 K N -0.221 120.191 120.400 0.020 0.000 2.487 538 K HA 0.186 4.510 4.320 0.007 0.000 0.192 538 K C 1.184 177.779 176.600 -0.008 0.000 1.027 538 K CA -0.054 56.235 56.287 0.004 0.000 1.054 538 K CB -0.342 32.155 32.500 -0.005 0.000 0.824 538 K HN 0.101 nan 8.250 nan 0.000 0.510 539 A N 1.467 124.281 122.820 -0.010 0.000 2.466 539 A HA 0.127 4.451 4.320 0.007 0.000 0.238 539 A C 0.340 177.915 177.584 -0.015 0.000 1.074 539 A CA 0.305 52.332 52.037 -0.016 0.000 0.774 539 A CB 0.165 19.157 19.000 -0.014 0.000 1.015 539 A HN 0.135 nan 8.150 nan 0.000 0.498 540 T N 1.318 115.862 114.554 -0.018 0.000 2.902 540 T HA 0.525 4.879 4.350 0.007 0.000 0.280 540 T C 1.938 176.626 174.700 -0.020 0.000 0.992 540 T CA 0.087 62.176 62.100 -0.018 0.000 1.015 540 T CB 1.408 70.266 68.868 -0.016 0.000 1.044 540 T HN 0.879 nan 8.240 nan 0.000 0.520 541 K N 1.009 121.396 120.400 -0.022 0.000 2.152 541 K HA -0.113 4.211 4.320 0.007 0.000 0.206 541 K C 1.869 178.458 176.600 -0.018 0.000 1.048 541 K CA 1.505 57.778 56.287 -0.024 0.000 0.933 541 K CB -0.617 31.868 32.500 -0.025 0.000 0.721 541 K HN 0.587 nan 8.250 nan 0.000 0.447 542 E N 0.490 120.681 120.200 -0.015 0.000 2.033 542 E HA -0.110 4.244 4.350 0.007 0.000 0.189 542 E C 2.346 178.938 176.600 -0.013 0.000 0.979 542 E CA 1.095 57.488 56.400 -0.012 0.000 0.802 542 E CB -0.237 29.456 29.700 -0.011 0.000 0.763 542 E HN 0.745 nan 8.360 nan 0.000 0.449 543 Q N 0.145 119.936 119.800 -0.016 0.000 2.045 543 Q HA -0.181 4.163 4.340 0.007 0.000 0.206 543 Q C 2.212 178.201 176.000 -0.018 0.000 0.991 543 Q CA 1.126 56.917 55.803 -0.019 0.000 0.851 543 Q CB -0.190 28.535 28.738 -0.022 0.000 0.911 543 Q HN 0.113 nan 8.270 nan 0.000 0.418 544 L N 1.181 122.393 121.223 -0.018 0.000 2.042 544 L HA -0.222 4.122 4.340 0.007 0.000 0.210 544 L C 2.308 179.171 176.870 -0.012 0.000 1.076 544 L CA 1.852 56.681 54.840 -0.018 0.000 0.749 544 L CB -0.750 41.295 42.059 -0.023 0.000 0.893 544 L HN 0.166 nan 8.230 nan 0.000 0.432 545 K N -0.749 119.645 120.400 -0.010 0.000 2.057 545 K HA -0.177 4.148 4.320 0.007 0.000 0.207 545 K C 2.035 178.640 176.600 0.008 0.000 1.049 545 K CA 1.378 57.665 56.287 -0.001 0.000 0.931 545 K CB -0.095 32.404 32.500 -0.002 0.000 0.714 545 K HN 0.273 nan 8.250 nan 0.000 0.440 546 A N 0.573 123.394 122.820 0.002 0.000 1.902 546 A HA -0.103 4.222 4.320 0.007 0.000 0.217 546 A C 2.225 179.815 177.584 0.009 0.000 1.181 546 A CA 1.668 53.708 52.037 0.004 0.000 0.623 546 A CB -0.584 18.412 19.000 -0.006 0.000 0.818 546 A HN 0.183 nan 8.150 nan 0.000 0.443 547 V N -0.099 119.817 119.914 0.002 0.000 2.358 547 V HA -0.272 3.852 4.120 0.007 0.000 0.246 547 V C 2.604 178.725 176.094 0.045 0.000 1.047 547 V CA 2.070 64.372 62.300 0.004 0.000 1.035 547 V CB -0.687 31.122 31.823 -0.024 0.000 0.658 547 V HN 0.564 nan 8.190 nan 0.000 0.452 548 M N 0.283 119.907 119.600 0.040 0.000 2.213 548 M HA -0.139 4.345 4.480 0.007 0.000 0.263 548 M C 2.099 178.485 176.300 0.143 0.000 1.062 548 M CA 2.149 57.496 55.300 0.078 0.000 1.105 548 M CB -0.936 31.689 32.600 0.042 0.000 1.385 548 M HN 0.643 nan 8.290 nan 0.000 0.417 549 D N 0.244 120.700 120.400 0.093 0.000 2.123 549 D HA -0.152 4.492 4.640 0.007 0.000 0.200 549 D C 1.584 177.937 176.300 0.089 0.000 0.976 549 D CA 1.373 55.424 54.000 0.085 0.000 0.831 549 D CB -0.479 40.350 40.800 0.048 0.000 0.974 549 D HN 0.319 nan 8.370 nan 0.000 0.469 550 D N -0.934 119.512 120.400 0.077 0.000 2.097 550 D HA -0.060 4.584 4.640 0.007 0.000 0.195 550 D C 1.702 178.064 176.300 0.103 0.000 0.989 550 D CA 0.578 54.613 54.000 0.058 0.000 0.827 550 D CB -0.646 40.163 40.800 0.015 0.000 0.966 550 D HN 0.471 nan 8.370 nan 0.000 0.456 551 F N 1.642 121.582 119.950 -0.016 0.000 2.126 551 F HA -0.223 4.309 4.527 0.008 0.000 0.299 551 F C 2.084 177.951 175.800 0.112 0.000 1.096 551 F CA 1.536 59.543 58.000 0.012 0.000 1.255 551 F CB -0.272 38.705 39.000 -0.039 0.000 0.997 551 F HN -0.065 nan 8.300 nan 0.000 0.479 552 A N 0.746 123.683 122.820 0.195 0.000 1.829 552 A HA -0.151 4.173 4.320 0.007 0.000 0.216 552 A C 2.481 180.050 177.584 -0.025 0.000 1.207 552 A CA 2.383 54.475 52.037 0.091 0.000 0.622 552 A CB -1.772 17.300 19.000 0.120 0.000 0.846 552 A HN 0.539 nan 8.150 nan 0.000 0.447 553 A N -1.297 121.525 122.820 0.003 0.000 1.958 553 A HA -0.185 4.139 4.320 0.007 0.000 0.221 553 A C 2.114 179.649 177.584 -0.082 0.000 1.178 553 A CA 2.027 54.045 52.037 -0.031 0.000 0.642 553 A CB -0.896 18.102 19.000 -0.004 0.000 0.816 553 A HN 0.936 nan 8.150 nan 0.000 0.453 554 F N 0.754 120.559 119.950 -0.241 0.000 2.095 554 F HA -0.185 4.346 4.527 0.007 0.000 0.298 554 F C 2.122 177.633 175.800 -0.483 0.000 1.104 554 F CA 2.228 60.019 58.000 -0.347 0.000 1.232 554 F CB -0.278 38.497 39.000 -0.375 0.000 0.987 554 F HN 0.034 nan 8.300 nan 0.000 0.475 555 V N 0.768 120.270 119.914 -0.686 0.000 2.407 555 V HA -0.240 3.884 4.120 0.007 0.000 0.248 555 V C 2.795 178.618 176.094 -0.452 0.000 1.055 555 V CA 2.336 64.204 62.300 -0.720 0.000 1.049 555 V CB -1.762 29.793 31.823 -0.448 0.000 0.662 555 V HN 0.581 nan 8.190 nan 0.000 0.455 556 E N 0.518 120.542 120.200 -0.294 0.000 2.072 556 E HA -0.274 4.080 4.350 0.007 0.000 0.191 556 E C 2.394 178.859 176.600 -0.225 0.000 0.985 556 E CA 1.777 58.064 56.400 -0.188 0.000 0.801 556 E CB -0.630 29.001 29.700 -0.116 0.000 0.750 556 E HN 0.534 nan 8.360 nan 0.000 0.452 557 K N -0.335 119.892 120.400 -0.287 0.000 2.026 557 K HA -0.109 4.215 4.320 0.007 0.000 0.208 557 K C 2.289 178.680 176.600 -0.348 0.000 1.048 557 K CA 1.398 57.523 56.287 -0.270 0.000 0.929 557 K CB -1.320 31.033 32.500 -0.245 0.000 0.713 557 K HN 0.721 nan 8.250 nan 0.000 0.439 558 c N -0.060 118.157 118.600 -0.638 0.000 2.456 558 c HA 0.158 4.732 4.570 0.007 0.000 0.279 558 c C 2.692 176.621 174.090 -0.269 0.000 1.427 558 c CA 0.543 56.449 56.329 -0.706 0.000 1.778 558 c CB -1.366 40.068 42.510 -1.793 0.000 1.842 558 c HN 0.753 nan 8.230 nan 0.000 0.531 559 c N -0.154 118.343 118.600 -0.172 0.000 2.696 559 c HA 0.084 4.658 4.570 0.007 0.000 0.264 559 c C 1.527 175.605 174.090 -0.020 0.000 1.288 559 c CA 0.258 56.603 56.329 0.028 0.000 1.717 559 c CB -1.235 41.303 42.510 0.046 0.000 1.893 559 c HN 0.574 nan 8.230 nan 0.000 0.577 560 K N 1.239 121.595 120.400 -0.073 0.000 3.205 560 K HA 0.544 4.868 4.320 0.007 0.000 0.202 560 K C -0.504 176.062 176.600 -0.056 0.000 1.160 560 K CA 0.003 56.257 56.287 -0.056 0.000 0.995 560 K CB 0.058 32.519 32.500 -0.065 0.000 1.041 560 K HN 0.330 nan 8.250 nan 0.000 0.507 561 A N -0.172 122.623 122.820 -0.041 0.000 2.435 561 A HA 0.460 4.784 4.320 0.007 0.000 0.304 561 A C 0.504 178.082 177.584 -0.011 0.000 1.064 561 A CA 0.001 52.017 52.037 -0.035 0.000 0.727 561 A CB 1.178 20.147 19.000 -0.051 0.000 1.284 561 A HN 0.435 nan 8.150 nan 0.000 0.415 562 D N 0.158 120.553 120.400 -0.009 0.000 2.271 562 D HA 0.053 4.697 4.640 0.007 0.000 0.207 562 D C 0.266 176.571 176.300 0.009 0.000 0.983 562 D CA 2.015 56.015 54.000 -0.000 0.000 0.878 562 D CB -0.123 40.677 40.800 -0.001 0.000 0.920 562 D HN 0.759 nan 8.370 nan 0.000 0.479 563 D N -2.602 117.806 120.400 0.013 0.000 2.970 563 D HA 0.523 5.167 4.640 0.007 0.000 0.230 563 D C -0.014 176.314 176.300 0.046 0.000 1.276 563 D CA 0.070 54.087 54.000 0.028 0.000 0.910 563 D CB 1.624 42.440 40.800 0.027 0.000 1.590 563 D HN 0.396 nan 8.370 nan 0.000 0.551 564 K N 1.830 122.276 120.400 0.078 0.000 2.583 564 K HA 0.785 5.109 4.320 0.007 0.000 0.263 564 K C 1.031 177.734 176.600 0.171 0.000 1.038 564 K CA 0.591 56.970 56.287 0.154 0.000 1.031 564 K CB -0.168 32.439 32.500 0.178 0.000 1.399 564 K HN 0.577 nan 8.250 nan 0.000 0.531 565 E N -1.853 118.506 120.200 0.265 0.000 5.003 565 E HA -0.236 4.119 4.350 0.007 0.000 0.166 565 E C 1.688 178.411 176.600 0.205 0.000 1.244 565 E CA 3.072 59.592 56.400 0.200 0.000 2.281 565 E CB -1.954 27.816 29.700 0.116 0.000 1.825 565 E HN 0.758 nan 8.360 nan 0.000 0.420 566 T N -0.475 114.169 114.554 0.149 0.000 2.770 566 T HA -0.143 4.211 4.350 0.007 0.000 0.263 566 T C 1.837 176.608 174.700 0.120 0.000 1.039 566 T CA 1.522 63.691 62.100 0.115 0.000 1.142 566 T CB -0.755 68.158 68.868 0.075 0.000 0.868 566 T HN 0.537 nan 8.240 nan 0.000 0.435 567 c N 0.930 119.586 118.600 0.094 0.000 2.393 567 c HA -0.131 4.443 4.570 0.007 0.000 0.276 567 c C 2.354 176.461 174.090 0.028 0.000 1.215 567 c CA 0.643 56.977 56.329 0.007 0.000 1.743 567 c CB -1.733 40.710 42.510 -0.112 0.000 2.044 567 c HN 0.540 nan 8.230 nan 0.000 0.464 568 F N 1.545 121.499 119.950 0.008 0.000 2.126 568 F HA -0.052 4.479 4.527 0.007 0.000 0.299 568 F C 2.575 178.498 175.800 0.205 0.000 1.096 568 F CA 1.868 59.928 58.000 0.100 0.000 1.255 568 F CB -0.642 38.387 39.000 0.050 0.000 0.997 568 F HN 0.321 nan 8.300 nan 0.000 0.479 569 A N -0.245 122.753 122.820 0.297 0.000 1.930 569 A HA -0.026 4.298 4.320 0.007 0.000 0.215 569 A C 2.095 179.774 177.584 0.160 0.000 1.176 569 A CA 1.700 53.854 52.037 0.196 0.000 0.632 569 A CB -1.154 17.932 19.000 0.142 0.000 0.819 569 A HN 0.355 nan 8.150 nan 0.000 0.445 570 E N 0.055 120.339 120.200 0.141 0.000 2.033 570 E HA -0.112 4.242 4.350 0.007 0.000 0.189 570 E C 1.789 178.455 176.600 0.110 0.000 0.979 570 E CA 1.187 57.648 56.400 0.102 0.000 0.802 570 E CB -0.599 29.145 29.700 0.074 0.000 0.763 570 E HN 0.551 nan 8.360 nan 0.000 0.449 571 E N 0.294 120.588 120.200 0.156 0.000 2.274 571 E HA -0.027 4.327 4.350 0.007 0.000 0.194 571 E C 2.311 179.007 176.600 0.160 0.000 0.996 571 E CA 0.864 57.383 56.400 0.199 0.000 0.840 571 E CB -0.397 29.480 29.700 0.296 0.000 0.772 571 E HN 0.521 nan 8.360 nan 0.000 0.491 572 G N 1.323 110.267 108.800 0.240 0.000 2.408 572 G HA2 -0.260 3.705 3.960 0.007 0.000 0.217 572 G HA3 -0.260 3.705 3.960 0.007 0.000 0.217 572 G C 1.911 176.820 174.900 0.015 0.000 1.150 572 G CA 0.610 45.747 45.100 0.062 0.000 0.776 572 G HN 0.171 nan 8.290 nan 0.000 0.542 573 K N 0.429 120.868 120.400 0.066 0.000 2.026 573 K HA 0.003 4.327 4.320 0.007 0.000 0.208 573 K C 2.505 179.106 176.600 0.003 0.000 1.048 573 K CA 1.554 57.872 56.287 0.052 0.000 0.929 573 K CB -0.458 32.076 32.500 0.058 0.000 0.713 573 K HN 0.480 nan 8.250 nan 0.000 0.439 574 K N 0.150 120.540 120.400 -0.016 0.000 1.965 574 K HA -0.120 4.204 4.320 0.007 0.000 0.218 574 K C 2.230 178.774 176.600 -0.093 0.000 1.048 574 K CA 1.828 58.089 56.287 -0.043 0.000 0.960 574 K CB -0.677 31.804 32.500 -0.032 0.000 0.732 574 K HN 0.082 nan 8.250 nan 0.000 0.444 575 L N 1.300 122.415 121.223 -0.179 0.000 2.040 575 L HA -0.330 4.014 4.340 0.007 0.000 0.228 575 L C 2.184 178.958 176.870 -0.159 0.000 1.092 575 L CA 1.789 56.481 54.840 -0.247 0.000 0.805 575 L CB -0.554 41.163 42.059 -0.569 0.000 0.905 575 L HN 0.073 nan 8.230 nan 0.000 0.443 576 V N -0.249 119.597 119.914 -0.113 0.000 2.252 576 V HA -0.375 3.750 4.120 0.007 0.000 0.249 576 V C 2.738 178.772 176.094 -0.100 0.000 1.056 576 V CA 2.035 64.305 62.300 -0.050 0.000 1.022 576 V CB -1.331 30.548 31.823 0.093 0.000 0.641 576 V HN 0.694 nan 8.190 nan 0.000 0.445 577 A N -0.349 122.424 122.820 -0.078 0.000 1.902 577 A HA -0.105 4.220 4.320 0.007 0.000 0.217 577 A C 2.403 179.927 177.584 -0.100 0.000 1.181 577 A CA 2.184 54.165 52.037 -0.093 0.000 0.623 577 A CB -0.773 18.194 19.000 -0.055 0.000 0.818 577 A HN 0.589 nan 8.150 nan 0.000 0.443 578 A N -0.526 122.241 122.820 -0.087 0.000 1.855 578 A HA -0.052 4.272 4.320 0.007 0.000 0.215 578 A C 2.444 179.975 177.584 -0.088 0.000 1.191 578 A CA 2.015 54.005 52.037 -0.078 0.000 0.613 578 A CB -1.018 17.941 19.000 -0.069 0.000 0.829 578 A HN 0.454 nan 8.150 nan 0.000 0.442 579 S N -0.005 115.634 115.700 -0.103 0.000 2.365 579 S HA -0.277 4.198 4.470 0.007 0.000 0.225 579 S C 2.112 176.641 174.600 -0.119 0.000 1.039 579 S CA 1.765 59.901 58.200 -0.106 0.000 1.033 579 S CB -0.468 62.656 63.200 -0.126 0.000 0.887 579 S HN 0.682 nan 8.310 nan 0.000 0.447 580 Q N 0.808 120.512 119.800 -0.159 0.000 2.045 580 Q HA -0.160 4.184 4.340 0.007 0.000 0.206 580 Q C 2.606 178.535 176.000 -0.118 0.000 0.991 580 Q CA 1.586 57.283 55.803 -0.176 0.000 0.851 580 Q CB -0.467 28.110 28.738 -0.269 0.000 0.911 580 Q HN 0.623 nan 8.270 nan 0.000 0.418 581 A N 1.261 124.020 122.820 -0.102 0.000 1.883 581 A HA -0.157 4.168 4.320 0.007 0.000 0.217 581 A C 2.363 179.910 177.584 -0.062 0.000 1.186 581 A CA 1.757 53.749 52.037 -0.075 0.000 0.624 581 A CB -0.945 18.016 19.000 -0.064 0.000 0.822 581 A HN 0.425 nan 8.150 nan 0.000 0.444 582 A N -0.722 122.062 122.820 -0.061 0.000 1.978 582 A HA 0.130 4.454 4.320 0.007 0.000 0.220 582 A C 1.318 178.873 177.584 -0.048 0.000 1.170 582 A CA 1.046 53.053 52.037 -0.049 0.000 0.636 582 A CB -0.489 18.483 19.000 -0.047 0.000 0.810 582 A HN 0.476 nan 8.150 nan 0.000 0.448 583 L N 0.000 121.188 121.223 -0.058 0.000 2.949 583 L HA 0.000 4.344 4.340 0.007 0.000 0.249 583 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 583 L CB 0.000 42.025 42.059 -0.057 0.000 0.961 583 L HN 0.000 nan 8.230 nan 0.000 0.502